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Osteoclast-stimulating factor 1

Induces bone resorption, acting probably through a signaling cascade which results in the secretion of factor(s) enhancing osteoclast formation and activity.

AlphaFold DB , UniProt , Accession A0A060Y3A9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110538587, Length 289 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M73.6Confident87.1Confident102 Ų10270.5 Ų70.550%0.50233%0.333SS..  0163.80172.7175.3-82.800107.1K26 I27 R53M1-K26 CarbonylContact O-C 3.52Å; M1-I27 HydrophobicContact CB-CB 4.21Å; M1-I27 PolarHBondContact N-O 3.17Å; M1-I27 PolarHBondContact O-N 3.33Å; M1-R53 HydrophobicContact SD-CG 4.45Å
2E85.1Confident86.8Confident81 Ų8175.3 Ų75.338%0.37937%0.37SS..EExtended strand (participates in β ladder)trans-117.1147.2177.9-71.2166.1132.700109.9I24 L25 Q54 N126E2-I24 HydrophobicContact CB-CG2 4.33Å; E2-L25 WeakPolarHBondContact CA-O 3.24Å; E2-Q54 PolarHBondContact O-N 3.23Å; E2-N126 PolarHBondContact OE2-ND2 2.9Å
3A86.2Confident86.8Confident0 Ų072.8 Ų72.80%037%0.369CS..EExtended strand (participates in β ladder)trans-141.8153.1177.900000109.7I24 L25 I27 I51 E52A3-I24 CarbonylContact O-C 3.59Å; A3-I24 WeakPolarHBondContact O-CA 3.4Å; A3-L25 PolarHBondContact N-O 2.84Å; A3-L25 PolarHBondContact O-N 3.28Å; A3-I27 HydrophobicContact CB-CD1 3.89Å; A3-I27 HydrophobicContact CB-CG1 3.75Å; A3-I51 HydrophobicContact CB-CB 4.11Å; A3-I51 HydrophobicContact CB-CD1 3.47Å; A3-I51 VanDerWaalsContact CB-CD1 3.47Å; A3-I51 HydrophobicContact CB-CG1 3.9Å; A3-E52 CarbonylContact C-O 3.51Å; A3-E52 WeakPolarHBondContact CA-O 3.36Å
4R88.1Confident86.7Confident116 Ų11682.1 Ų82.144%0.43841%0.411SS..EExtended strand (participates in β ladder)trans-111.2135-177.9-176.2175.2-169.4-157.51.3109.8K6 D23 I24 I51 E52 Q54R4-K6 PolarHBondContact O-N 3.25Å; R4-D23 CarbonylContact C-O 3.35Å; R4-D23 VanDerWaalsContact CA-O 3.24Å; R4-D23 WeakPolarHBondContact CA-O 3.42Å; R4-I24 HydrophobicContact CB-CD1 3.93Å; R4-I24 HydrophobicContact CG-CD1 3.9Å; R4-I51 CarbonylContact O-C 3.54Å; R4-I51 VanDerWaalsContact O-CA 3.3Å; R4-I51 WeakPolarHBondContact O-CA 3.12Å; R4-E52 PolarHBondContact N-O 3.28Å; R4-E52 PolarHBondContact O-N 3.14Å; R4-Q54 HydrophobicContact CB-CG 3.64Å
5G89.6Confident86.8Confident3 Ų382.3 Ų82.33%0.03141%0.414CS..EExtended strand (participates in β ladder)trans-57.6112171.800000110.6K21 G22 D23G5-K21 CarbonylContact O-C 3.58Å; G5-K21 WeakPolarHBondContact O-CA 3.39Å; G5-G22 PolarHBondContact O-N 2.83Å; G5-D23 PolarHBondContact N-O 3.48Å
6K86.5Confident87.2Confident88 Ų8879.1 Ų79.138%0.38340%0.397SS..SBendtrans-77-35.2177.1-173.1-172.4177.5-152.70110.5R4 K21 Y50R4-K6 PolarHBondContact O-N 3.25Å; K6-K21 VanDerWaalsContact O-CD 3.27Å; K6-K21 WeakPolarHBondContact O-CD 3.32Å; K6-K21 WeakPolarHBondContact O-CE 3.27Å; K6-K21 WeakPolarHBondContact O-CG 3.34Å; K6-Y50 WeakPolarHBondContact CB-O 3.21Å; K6-Y50 PolarHBondContact N-O 3.09Å
7Y87.6Confident87.5Confident93 Ų9374.8 Ų74.837%0.36538%0.375SS..SBendtrans-127177.6171.1-49.4-71.4000109F19 K21 Y50Y7-F19 WeakPolarHBondContact O-CE2 3.43Å; Y7-K21 WeakPolarHBondContact O-CA 3.46Å; Y7-K21 PolarHBondContact O-N 3.38Å; Y7-Y50 HydrophobicContact CD2-CD1 4.24Å; Y7-Y50 HydrophobicContact CD2-CG 4.34Å; Y7-Y50 PolarHBondContact N-O 3.09Å
8E91.4Very high87.7Confident123 Ų12373.8 Ų73.858%0.57538%0.377SS*.  trans-83.3150.6162.264.3-17086.200110.4F19 Y50E8-F19 WeakPolarHBondContact CA-O 3.05Å; E8-Y50 WeakPolarHBondContact O-CD1 3.43Å; E8-Y50 WeakPolarHBondContact O-CE1 3.08Å
9F90.9Very high88Confident24 Ų2470.3 Ų70.311%0.10536%0.359CS..BIsolated β-bridgetrans-140.2127175.5178.2-105.4000108.4E16 L17 S18 F19 W34 P47 Y50F9-E16 HydrophobicContact CE1-CB 4.22Å; F9-E16 HydrophobicContact CZ-CG 4.43Å; F9-L17 WeakPolarHBondContact CD1-O 3.4Å; F9-S18 CarbonylContact O-C 3.41Å; F9-S18 VanDerWaalsContact O-CA 3.32Å; F9-S18 WeakPolarHBondContact O-CA 3.37Å; F9-F19 HydrophobicContact CB-CD1 4.01Å; F9-F19 HydrophobicContact CB-CE1 3.48Å; F9-F19 VanDerWaalsContact CB-CE1 3.48Å; F9-F19 HydrophobicContact CB-CE2 4.09Å; F9-F19 HydrophobicContact CB-CZ 3.54Å; F9-F19 HydrophobicContact CD1-CD1 4.24Å; F9-F19 AromaticContact CD1-CE1 3.79Å; F9-F19 HydrophobicContact CD1-CE1 3.79Å; F9-F19 AromaticContact CG-CE1 3.95Å; F9-F19 HydrophobicContact CG-CE1 3.95Å; F9-F19 HydrophobicContact CG-CZ 4.32Å; F9-F19 PolarHBondContact N-O 2.97Å; F9-F19 PolarHBondContact O-N 3.12Å; F9-F19 VanDerWaalsContact O-O 3.06Å; F9-W34 HydrophobicContact CE1-CZ3 4.36Å; F9-W34 HydrophobicContact CZ-CH2 4Å; F9-W34 AromaticContact CZ-CZ3 3.93Å; F9-W34 HydrophobicContact CZ-CZ3 3.93Å; F9-P47 HydrophobicContact CD2-CG 3.81Å; F9-P47 HydrophobicContact CE1-CG 4.39Å; F9-P47 HydrophobicContact CE2-CG 3.58Å; F9-P47 HydrophobicContact CG-CG 4.32Å; F9-P47 HydrophobicContact CZ-CG 3.9Å; F9-Y50 HydrophobicContact CB-CD1 3.98Å; F9-Y50 HydrophobicContact CD2-CD1 4.21Å; F9-Y50 HydrophobicContact CD2-CE1 4.35Å
10N90.8Very high88.2Confident109 Ų10976.3 Ų76.358%0.58338%0.376SS*.  trans-109.1121.1176.6-63.4-70.3000107.2T12N10-T12 PolarHBondContact O-N 2.59Å
11A88.4Confident88.2Confident37 Ų3779.7 Ų79.731%0.30639%0.389SS..  trans-57133.4-179.500000111.4E16 S18A11-E16 HydrophobicContact CB-CB 3.67Å; A11-E16 WeakPolarHBondContact CB-O 3.31Å; A11-S18 WeakPolarHBondContact CB-OG 3.19Å; A11-S18 PolarHBondContact N-OG 2.8Å
12T83.1Confident88.7Confident127 Ų12776.1 Ų76.178%0.77938%0.379SS*.SBendtrans-106.9-23.1177.265.40000112.4N10 E16N10-T12 PolarHBondContact O-N 2.59Å; T12-E16 WeakPolarHBondContact CA-OE2 3.4Å; T12-E16 PolarHBondContact N-OE2 2.87Å; T12-E16 PolarHBondContact OG1-OE1 3.47Å; T12-E16 PolarHBondContact OG1-OE2 2.82Å
13A86.9Confident88.9Confident43 Ų4374.5 Ų74.536%0.35537%0.372SS..SBendtrans-113.5166.8171.700000112.4D15 E16A13-D15 VanDerWaalsContact C-N 3.34Å; A13-D15 VanDerWaalsContact CB-OD1 3.31Å; A13-D15 WeakPolarHBondContact CB-OD1 3.4Å; A13-E16 HydrophobicContact CB-CG 4.06Å; A13-E16 PolarHBondContact N-OE2 3.34Å; A13-E16 VanDerWaalsContact N-OE2 3.08Å; A13-E16 PolarHBondContact O-N 3.07Å
14E85Confident89Confident203 Ų20378.7 Ų78.795%0.94939%0.394SS*.THydrogen-bonded Turntrans-76.2-18.6-176.966.3-174.8123.600114.4
15D89.1Confident89.1Confident86 Ų8673.1 Ų73.146%0.4637%0.373SS..THydrogen-bonded Turntrans-97-3.8176.263.7-43.9000113.3A13 G44 F45A13-D15 VanDerWaalsContact C-N 3.34Å; A13-D15 VanDerWaalsContact CB-OD1 3.31Å; A13-D15 WeakPolarHBondContact CB-OD1 3.4Å; D15-G44 CarbonylContact O-C 3.4Å; D15-G44 WeakPolarHBondContact O-CA 3.41Å; D15-F45 HydrophobicContact CB-CD2 4.21Å; D15-F45 PolarHBondContact O-N 3.22Å; D15-F45 WeakPolarHBondContact OD2-CD2 3.37Å
16E93.1Very high88.9Confident30 Ų3077.5 Ų77.514%0.1439%0.391CS..BIsolated β-bridgetrans-85.2148.6175.4-75.1176.8173.300112.2F9 A11 T12 A13 W34 F45F9-E16 HydrophobicContact CE1-CB 4.22Å; F9-E16 HydrophobicContact CZ-CG 4.43Å; A11-E16 HydrophobicContact CB-CB 3.67Å; A11-E16 WeakPolarHBondContact CB-O 3.31Å; T12-E16 WeakPolarHBondContact CA-OE2 3.4Å; T12-E16 PolarHBondContact N-OE2 2.87Å; T12-E16 PolarHBondContact OG1-OE1 3.47Å; T12-E16 PolarHBondContact OG1-OE2 2.82Å; A13-E16 HydrophobicContact CB-CG 4.06Å; A13-E16 PolarHBondContact N-OE2 3.34Å; A13-E16 VanDerWaalsContact N-OE2 3.08Å; A13-E16 PolarHBondContact O-N 3.07Å; E16-W34 HydrophobicContact CG-CH2 4.18Å; E16-W34 HydrophobicContact CG-CZ3 3.92Å; E16-W34 WeakPolarHBondContact OE1-CH2 3.46Å; E16-F45 WeakPolarHBondContact CA-O 3.43Å
17L91.7Very high89Confident6 Ų674 Ų743%0.03138%0.377CS..  trans-111.5113.9-178.1-179.765.6000111.3F9 F19 L25 A37 L39 Q42 F45 V46F9-L17 WeakPolarHBondContact CD1-O 3.4Å; L17-F19 WeakPolarHBondContact O-CD1 3.44Å; L17-L25 HydrophobicContact CD2-CD2 4.17Å; L17-A37 HydrophobicContact CD2-CB 4Å; L17-L39 HydrophobicContact CD1-CB 4.34Å; L17-L39 HydrophobicContact CD2-CB 3.88Å; L17-L39 HydrophobicContact CG-CB 4.35Å; L17-Q42 HydrophobicContact CD1-CB 4.17Å; L17-Q42 HydrophobicContact CD1-CG 4.14Å; L17-F45 PolarHBondContact N-O 3.28Å; L17-V46 HydrophobicContact CB-CG1 3.82Å; L17-V46 HydrophobicContact CD2-CG1 4.27Å; L17-V46 HydrophobicContact CG-CG1 4.34Å; L17-V46 WeakPolarHBondContact O-CG1 3.47Å
18S92.4Very high88.6Confident58 Ų5873 Ų7341%0.40638%0.377SS..  trans-68.1140.2174.2-61.40000112.5F9 A11F9-S18 CarbonylContact O-C 3.41Å; F9-S18 VanDerWaalsContact O-CA 3.32Å; F9-S18 WeakPolarHBondContact O-CA 3.37Å; A11-S18 WeakPolarHBondContact CB-OG 3.19Å; A11-S18 PolarHBondContact N-OG 2.8Å
19F93.4Very high88.1Confident7 Ų768.7 Ų68.73%0.03137%0.366CS..BIsolated β-bridgetrans-154.5161.4173.562.3-88.5000112Y7 E8 F9 L17 D23 L25 L39 V46 I51Y7-F19 WeakPolarHBondContact O-CE2 3.43Å; E8-F19 WeakPolarHBondContact CA-O 3.05Å; F9-F19 HydrophobicContact CB-CD1 4.01Å; F9-F19 HydrophobicContact CB-CE1 3.48Å; F9-F19 VanDerWaalsContact CB-CE1 3.48Å; F9-F19 HydrophobicContact CB-CE2 4.09Å; F9-F19 HydrophobicContact CB-CZ 3.54Å; F9-F19 HydrophobicContact CD1-CD1 4.24Å; F9-F19 AromaticContact CD1-CE1 3.79Å; F9-F19 HydrophobicContact CD1-CE1 3.79Å; F9-F19 AromaticContact CG-CE1 3.95Å; F9-F19 HydrophobicContact CG-CE1 3.95Å; F9-F19 HydrophobicContact CG-CZ 4.32Å; F9-F19 PolarHBondContact N-O 2.97Å; F9-F19 PolarHBondContact O-N 3.12Å; F9-F19 VanDerWaalsContact O-O 3.06Å; L17-F19 WeakPolarHBondContact O-CD1 3.44Å; F19-D23 HydrophobicContact CB-CB 4.38Å; F19-L25 HydrophobicContact CB-CD1 4.25Å; F19-L25 HydrophobicContact CB-CD2 4.03Å; F19-L25 HydrophobicContact CB-CG 4.44Å; F19-L25 HydrophobicContact CD1-CD2 3.67Å; F19-L25 HydrophobicContact CD2-CD1 4.01Å; F19-L25 HydrophobicContact CE1-CD2 4.28Å; F19-L25 HydrophobicContact CG-CD1 4Å; F19-L25 HydrophobicContact CG-CD2 3.85Å; F19-L25 HydrophobicContact CG-CG 4.46Å; F19-L39 HydrophobicContact CB-CD2 3.62Å; F19-V46 HydrophobicContact CD1-CB 4.36Å; F19-V46 HydrophobicContact CD1-CG1 3.68Å; F19-V46 HydrophobicContact CE1-CB 3.66Å; F19-V46 HydrophobicContact CE1-CG1 3.47Å; F19-V46 VanDerWaalsContact CE1-CG1 3.47Å; F19-V46 HydrophobicContact CZ-CB 4.46Å; F19-I51 HydrophobicContact CE1-CG2 4.07Å; F19-I51 HydrophobicContact CE2-CG2 3.69Å; F19-I51 HydrophobicContact CZ-CG2 3.37Å
20R90.8Very high87.7Confident189 Ų18971.8 Ų71.871%0.71339%0.39SS*.  trans-102.9160.1178.3-60.5-178.6178.4-174.1-0.4111.7G22 D23R20-G22 PolarHBondContact O-N 2.83Å; R20-G22 VanDerWaalsContact O-N 3.13Å; R20-D23 WeakPolarHBondContact CB-OD2 3.28Å; R20-D23 PolarHBondContact N-OD2 3.09Å; R20-D23 WeakPolarHBondContact O-CB 3.46Å; R20-D23 PolarHBondContact O-N 2.95Å; R20-D23 VanDerWaalsContact O-N 3.12Å
21K88.8Confident87Confident148 Ų14871.9 Ų71.964%0.64339%0.387SS*.THydrogen-bonded Turntrans-58.4118.3170.3-179.8169-176.3171.20110.1G5 K6 Y7G5-K21 CarbonylContact O-C 3.58Å; G5-K21 WeakPolarHBondContact O-CA 3.39Å; K6-K21 VanDerWaalsContact O-CD 3.27Å; K6-K21 WeakPolarHBondContact O-CD 3.32Å; K6-K21 WeakPolarHBondContact O-CE 3.27Å; K6-K21 WeakPolarHBondContact O-CG 3.34Å; Y7-K21 WeakPolarHBondContact O-CA 3.46Å; Y7-K21 PolarHBondContact O-N 3.38Å
22G83.4Confident86.7Confident27 Ų2777 Ų7728%0.27841%0.41SS..THydrogen-bonded Turntrans106.5-17.9-179.700000115.1G5 R20G5-G22 PolarHBondContact O-N 2.83Å; R20-G22 PolarHBondContact O-N 2.83Å; R20-G22 VanDerWaalsContact O-N 3.13Å
23D90.3Very high86.7Confident47 Ų4777.2 Ų77.225%0.25140%0.402SS..  trans-62.5146.8-179.8-67.6-6.1000111.3R4 G5 F19 R20 L39R4-D23 CarbonylContact C-O 3.35Å; R4-D23 VanDerWaalsContact CA-O 3.24Å; R4-D23 WeakPolarHBondContact CA-O 3.42Å; G5-D23 PolarHBondContact N-O 3.48Å; F19-D23 HydrophobicContact CB-CB 4.38Å; R20-D23 WeakPolarHBondContact CB-OD2 3.28Å; R20-D23 PolarHBondContact N-OD2 3.09Å; R20-D23 WeakPolarHBondContact O-CB 3.46Å; R20-D23 PolarHBondContact O-N 2.95Å; R20-D23 VanDerWaalsContact O-N 3.12Å; D23-L39 HydrophobicContact CB-CD2 4.32Å
24I88.8Confident86.7Confident88 Ų8879.3 Ų79.345%0.45140%0.4SS..EExtended strand (participates in β ladder)trans-101.4111.4177.6-55.5-52.5000109.8E2 A3 R4 L39E2-I24 HydrophobicContact CB-CG2 4.33Å; A3-I24 CarbonylContact O-C 3.59Å; A3-I24 WeakPolarHBondContact O-CA 3.4Å; R4-I24 HydrophobicContact CB-CD1 3.93Å; R4-I24 HydrophobicContact CG-CD1 3.9Å; I24-L39 WeakPolarHBondContact O-CD1 3.34Å
25L89.6Confident86.9Confident0 Ų070.2 Ų70.20%036%0.358CS..EExtended strand (participates in β ladder)trans-98.9134.3179.8-60.197000111E2 A3 L17 F19 I27 A37 L39 V46 I51E2-L25 WeakPolarHBondContact CA-O 3.24Å; A3-L25 PolarHBondContact N-O 2.84Å; A3-L25 PolarHBondContact O-N 3.28Å; L17-L25 HydrophobicContact CD2-CD2 4.17Å; F19-L25 HydrophobicContact CB-CD1 4.25Å; F19-L25 HydrophobicContact CB-CD2 4.03Å; F19-L25 HydrophobicContact CB-CG 4.44Å; F19-L25 HydrophobicContact CD1-CD2 3.67Å; F19-L25 HydrophobicContact CD2-CD1 4.01Å; F19-L25 HydrophobicContact CE1-CD2 4.28Å; F19-L25 HydrophobicContact CG-CD1 4Å; F19-L25 HydrophobicContact CG-CD2 3.85Å; F19-L25 HydrophobicContact CG-CG 4.46Å; L25-I27 HydrophobicContact CB-CD1 4.39Å; L25-I27 PolarHBondContact O-N 3.35Å; L25-A37 HydrophobicContact CB-CB 4.28Å; L25-A37 HydrophobicContact CD2-CB 4.16Å; L25-L39 HydrophobicContact CG-CD2 4.43Å; L25-V46 HydrophobicContact CD2-CG1 3.78Å; L25-V46 HydrophobicContact CD2-CG2 4.46Å; L25-I51 HydrophobicContact CD1-CG2 4.25Å
26K84.9Confident87Confident95 Ų9569.7 Ų69.741%0.41335%0.352SS..EExtended strand (participates in β ladder)trans-87.4104.1175.5173.9-165.3171.1-156.90109M1 L28 A37 E38M1-K26 CarbonylContact O-C 3.52Å; K26-L28 HydrophobicContact CD-CD2 4.12Å; K26-L28 HydrophobicContact CG-CD2 4.14Å; K26-L28 PolarHBondContact O-N 3.12Å; K26-A37 CarbonylContact O-C 3.57Å; K26-A37 WeakPolarHBondContact O-CA 3.28Å; K26-E38 HydrophobicContact CB-CB 4.26Å; K26-E38 HydrophobicContact CD-CB 4.18Å; K26-E38 HydrophobicContact CD-CG 4.35Å; K26-E38 VanDerWaalsContact CD-OE1 3.23Å; K26-E38 WeakPolarHBondContact CD-OE1 3.45Å; K26-E38 PolarHBondContact N-O 3.14Å; K26-E38 IonicContact NZ-OE1 2.92Å; K26-E38 PolarHBondContact NZ-OE1 2.98Å; K26-E38 IonicContact NZ-OE2 2.62Å; K26-E38 PolarHBondContact NZ-OE2 3.08Å; K26-E38 PolarHBondContact O-N 3.49Å
27I87.8Confident86.9Confident15 Ų1568.3 Ų68.38%0.07735%0.345CS..EExtended strand (participates in β ladder)trans-74117.5177.8-52-49.9000110.2M1 A3 L25 F35 A37 I51M1-I27 HydrophobicContact CB-CB 4.21Å; M1-I27 PolarHBondContact N-O 3.17Å; M1-I27 PolarHBondContact O-N 3.33Å; A3-I27 HydrophobicContact CB-CD1 3.89Å; A3-I27 HydrophobicContact CB-CG1 3.75Å; L25-I27 HydrophobicContact CB-CD1 4.39Å; L25-I27 PolarHBondContact O-N 3.35Å; I27-F35 HydrophobicContact CD1-CB 4.06Å; I27-F35 HydrophobicContact CD1-CG 4.4Å; I27-F35 HydrophobicContact CG2-CB 4.08Å; I27-F35 HydrophobicContact CG2-CD1 3.83Å; I27-F35 HydrophobicContact CG2-CG 4.04Å; I27-A37 HydrophobicContact CD1-CB 3.76Å; I27-I51 HydrophobicContact CD1-CD1 3.56Å; I27-I51 HydrophobicContact CG1-CD1 4.39Å
28L81.1Confident86.8Confident70 Ų7070.2 Ų70.237%0.36635%0.354SS..EExtended strand (participates in β ladder)trans-91.2-36178.9-55.5-178.8000111.7K26 K36 E38 E43K26-L28 HydrophobicContact CD-CD2 4.12Å; K26-L28 HydrophobicContact CG-CD2 4.14Å; K26-L28 PolarHBondContact O-N 3.12Å; L28-K36 HydrophobicContact CD1-CG 4.5Å; L28-K36 PolarHBondContact N-O 2.69Å; L28-E38 HydrophobicContact CD1-CB 4.13Å; L28-E38 HydrophobicContact CD2-CB 4.34Å; L28-E38 HydrophobicContact CG-CB 4.27Å; L28-E43 HydrophobicContact CD1-CG 3.87Å; L28-E43 WeakPolarHBondContact CD1-OE1 3.24Å
29G80.8Confident86.7Confident33 Ų3368.4 Ų68.434%0.3434%0.339SS..EExtended strand (participates in β ladder)trans-167.7175.7-179.900000113.3F35 K36G29-F35 CarbonylContact O-C 3.53Å; G29-F35 WeakPolarHBondContact O-CA 3.16Å; G29-K36 PolarHBondContact N-O 3.31Å; G29-K36 PolarHBondContact O-N 2.98Å
30S81.1Confident86.4Confident89 Ų8976.6 Ų76.662%0.62238%0.378SS*.EExtended strand (participates in β ladder)trans-125.6134.3179.354.80000110.3
31Q77.1Confident86Confident111 Ų11170.7 Ų70.752%0.51938%0.375SS..EExtended strand (participates in β ladder)trans-139.3103.4177.6-171.7160.211.500108.5E33 W34 F45Q31-E33 PolarHBondContact O-N 3.42Å; Q31-E33 VanDerWaalsContact O-N 3.17Å; Q31-W34 CarbonylContact C-O 3.49Å; Q31-W34 PolarHBondContact N-O 3.39Å; Q31-W34 WeakPolarHBondContact O-CA 3.19Å; Q31-W34 PolarHBondContact O-N 3.28Å; Q31-W34 VanDerWaalsContact O-O 3.05Å; Q31-F45 HydrophobicContact CB-CE1 4.34Å
32D81.8Confident86Confident146 Ų14670 Ų7078%0.78137%0.374SS*.THydrogen-bonded Turntrans52.2-111.8179.9-54.6-69000113.2Q48D32-Q48 PolarHBondContact O-NE2 2.92Å
33E82.3Confident86.4Confident131 Ų13173.5 Ų73.561%0.61238%0.383SS*.THydrogen-bonded Turntrans-92.18.6179.6-63.3-176.5130.200113.6Q31 Q48Q31-E33 PolarHBondContact O-N 3.42Å; Q31-E33 VanDerWaalsContact O-N 3.17Å; E33-Q48 WeakPolarHBondContact O-CG 3.49Å; E33-Q48 PolarHBondContact O-N 2.92Å; E33-Q48 VanDerWaalsContact O-N 3.11Å
34W88.3Confident86.5Confident86 Ų8671.5 Ų71.533%0.32637%0.374SS..EExtended strand (participates in β ladder)trans-122.7155.7179.7-62.978.1000112.2F9 E16 Q31 F45 V46 P47 Q48F9-W34 HydrophobicContact CE1-CZ3 4.36Å; F9-W34 HydrophobicContact CZ-CH2 4Å; F9-W34 AromaticContact CZ-CZ3 3.93Å; F9-W34 HydrophobicContact CZ-CZ3 3.93Å; E16-W34 HydrophobicContact CG-CH2 4.18Å; E16-W34 HydrophobicContact CG-CZ3 3.92Å; E16-W34 WeakPolarHBondContact OE1-CH2 3.46Å; Q31-W34 CarbonylContact C-O 3.49Å; Q31-W34 PolarHBondContact N-O 3.39Å; Q31-W34 WeakPolarHBondContact O-CA 3.19Å; Q31-W34 PolarHBondContact O-N 3.28Å; Q31-W34 VanDerWaalsContact O-O 3.05Å; W34-F45 HydrophobicContact CB-CB 4.5Å; W34-F45 HydrophobicContact CB-CD1 4.29Å; W34-F45 HydrophobicContact CD2-CB 4.46Å; W34-F45 HydrophobicContact CE3-CB 3.81Å; W34-F45 HydrophobicContact CZ3-CB 4.49Å; W34-V46 WeakPolarHBondContact CA-O 3.38Å; W34-P47 HydrophobicContact CE3-CG 4.13Å; W34-P47 HydrophobicContact CH2-CG 3.82Å; W34-P47 HydrophobicContact CZ3-CB 4.43Å; W34-P47 HydrophobicContact CZ3-CG 3.61Å; W34-Q48 PolarHBondContact O-NE2 3.36Å
35F89.2Confident86.6Confident13 Ų1369.4 Ų69.46%0.05736%0.362CS..EExtended strand (participates in β ladder)trans-109.1139.6162.5-70.8-61.2000109.2I27 G29 F45 V46 Q48 I51 R53I27-F35 HydrophobicContact CD1-CB 4.06Å; I27-F35 HydrophobicContact CD1-CG 4.4Å; I27-F35 HydrophobicContact CG2-CB 4.08Å; I27-F35 HydrophobicContact CG2-CD1 3.83Å; I27-F35 HydrophobicContact CG2-CG 4.04Å; G29-F35 CarbonylContact O-C 3.53Å; G29-F35 WeakPolarHBondContact O-CA 3.16Å; F35-F45 CarbonylContact O-C 3.38Å; F35-F45 WeakPolarHBondContact O-CA 3.29Å; F35-V46 HydrophobicContact CB-CG2 4Å; F35-V46 PolarHBondContact N-O 2.79Å; F35-V46 WeakPolarHBondContact O-CG2 3.15Å; F35-V46 PolarHBondContact O-N 2.87Å; F35-Q48 HydrophobicContact CD1-CG 4.33Å; F35-Q48 HydrophobicContact CD2-CB 4.05Å; F35-Q48 HydrophobicContact CD2-CG 3.5Å; F35-Q48 VanDerWaalsContact CD2-CG 3.5Å; F35-Q48 HydrophobicContact CE1-CG 4.25Å; F35-Q48 HydrophobicContact CE2-CB 3.73Å; F35-Q48 HydrophobicContact CE2-CG 3.42Å; F35-Q48 VanDerWaalsContact CE2-CG 3.42Å; F35-Q48 HydrophobicContact CG-CG 3.95Å; F35-Q48 HydrophobicContact CZ-CB 4.36Å; F35-Q48 HydrophobicContact CZ-CG 3.79Å; F35-I51 HydrophobicContact CB-CD1 4.43Å; F35-I51 HydrophobicContact CD2-CD1 3.43Å; F35-I51 VanDerWaalsContact CD2-CD1 3.43Å; F35-I51 HydrophobicContact CD2-CG1 3.99Å; F35-I51 HydrophobicContact CE2-CD1 4.12Å; F35-I51 HydrophobicContact CE2-CG1 4.29Å; F35-I51 HydrophobicContact CG-CD1 4.3Å; F35-R53 HydrophobicContact CE2-CG 4.13Å; F35-R53 HydrophobicContact CZ-CG 4.23Å
36K90Very high86.8Confident75 Ų7569.4 Ų69.433%0.32636%0.362SS..EExtended strand (participates in β ladder)trans-80.4123161.2-170176.8178-176.10108.3L28 G29 E43 F45L28-K36 HydrophobicContact CD1-CG 4.5Å; L28-K36 PolarHBondContact N-O 2.69Å; G29-K36 PolarHBondContact N-O 3.31Å; G29-K36 PolarHBondContact O-N 2.98Å; K36-E43 WeakPolarHBondContact CE-OE2 3.43Å; K36-E43 IonicContact NZ-OE2 2.94Å; K36-E43 PolarHBondContact NZ-OE2 2.83Å; K36-F45 HydrophobicContact CB-CD1 4.08Å; K36-F45 HydrophobicContact CB-CE1 3.9Å; K36-F45 HydrophobicContact CG-CE1 4.4Å
37A91.3Very high87Confident0 Ų065.4 Ų65.40%035%0.345CS..EExtended strand (participates in β ladder)trans-128.4167.3-174.700000111.8L17 L25 K26 I27 E43 G44 V46L17-A37 HydrophobicContact CD2-CB 4Å; L25-A37 HydrophobicContact CB-CB 4.28Å; L25-A37 HydrophobicContact CD2-CB 4.16Å; K26-A37 CarbonylContact O-C 3.57Å; K26-A37 WeakPolarHBondContact O-CA 3.28Å; I27-A37 HydrophobicContact CD1-CB 3.76Å; A37-E43 VanDerWaalsContact O-CA 3.32Å; A37-E43 WeakPolarHBondContact O-CA 3.18Å; A37-G44 PolarHBondContact N-O 3.04Å; A37-G44 PolarHBondContact O-N 2.86Å; A37-V46 HydrophobicContact CB-CG1 4.24Å; A37-V46 HydrophobicContact CB-CG2 3.73Å
38E90.8Very high87Confident47 Ų4767.7 Ų67.722%0.2236%0.356CS..EExtended strand (participates in β ladder)trans-131.2131.8173.6177.3-170.7118.500108.9K26 L28 Q42 E43K26-E38 HydrophobicContact CB-CB 4.26Å; K26-E38 HydrophobicContact CD-CB 4.18Å; K26-E38 HydrophobicContact CD-CG 4.35Å; K26-E38 VanDerWaalsContact CD-OE1 3.23Å; K26-E38 WeakPolarHBondContact CD-OE1 3.45Å; K26-E38 PolarHBondContact N-O 3.14Å; K26-E38 IonicContact NZ-OE1 2.92Å; K26-E38 PolarHBondContact NZ-OE1 2.98Å; K26-E38 IonicContact NZ-OE2 2.62Å; K26-E38 PolarHBondContact NZ-OE2 3.08Å; K26-E38 PolarHBondContact O-N 3.49Å; L28-E38 HydrophobicContact CD1-CB 4.13Å; L28-E38 HydrophobicContact CD2-CB 4.34Å; L28-E38 HydrophobicContact CG-CB 4.27Å; E38-Q42 VanDerWaalsContact CA-O 3.31Å; E38-Q42 WeakPolarHBondContact CA-O 3.41Å; E38-E43 HydrophobicContact CB-CG 4.34Å; E38-E43 HydrophobicContact CG-CG 4.44Å
39L89.9Confident87.4Confident19 Ų1968.7 Ų68.710%0.09936%0.361CS..EExtended strand (participates in β ladder)trans-140.2130.2175.7-178.461.6000108.5L17 F19 D23 I24 L25 G41 Q42L17-L39 HydrophobicContact CD1-CB 4.34Å; L17-L39 HydrophobicContact CD2-CB 3.88Å; L17-L39 HydrophobicContact CG-CB 4.35Å; F19-L39 HydrophobicContact CB-CD2 3.62Å; D23-L39 HydrophobicContact CB-CD2 4.32Å; I24-L39 WeakPolarHBondContact O-CD1 3.34Å; L25-L39 HydrophobicContact CG-CD2 4.43Å; L39-G41 PolarHBondContact O-N 3.38Å; L39-Q42 PolarHBondContact N-O 2.82Å; L39-Q42 PolarHBondContact O-N 2.91Å
40H86.9Confident87.8Confident180 Ų18071.4 Ų71.483%0.83336%0.362SS*.THydrogen-bonded Turntrans50.823.6-175.9-58.9-57.3000116
41G82.6Confident88.1Confident64 Ų6467.6 Ų67.666%0.6633%0.334SS*.THydrogen-bonded Turntrans87.2-0.3-17800000114.9L39L39-G41 PolarHBondContact O-N 3.38Å
42Q87.5Confident88.4Confident133 Ų13367.3 Ų67.362%0.62133%0.333SS*.EExtended strand (participates in β ladder)trans-93.8131.7168.2-171164.5-2.100109.5L17 E38 L39L17-Q42 HydrophobicContact CD1-CB 4.17Å; L17-Q42 HydrophobicContact CD1-CG 4.14Å; E38-Q42 VanDerWaalsContact CA-O 3.31Å; E38-Q42 WeakPolarHBondContact CA-O 3.41Å; L39-Q42 PolarHBondContact N-O 2.82Å; L39-Q42 PolarHBondContact O-N 2.91Å
43E91.9Very high88.5Confident101 Ų10166.5 Ų66.547%0.47232%0.319SS..EExtended strand (participates in β ladder)trans-96.7150.2173.7-62.9-170.9169.700110.9L28 K36 A37 E38L28-E43 HydrophobicContact CD1-CG 3.87Å; L28-E43 WeakPolarHBondContact CD1-OE1 3.24Å; K36-E43 WeakPolarHBondContact CE-OE2 3.43Å; K36-E43 IonicContact NZ-OE2 2.94Å; K36-E43 PolarHBondContact NZ-OE2 2.83Å; A37-E43 VanDerWaalsContact O-CA 3.32Å; A37-E43 WeakPolarHBondContact O-CA 3.18Å; E38-E43 HydrophobicContact CB-CG 4.34Å; E38-E43 HydrophobicContact CG-CG 4.44Å
44G92.2Very high88Confident5 Ų563.2 Ų63.25%0.05230%0.304CS..EExtended strand (participates in β ladder)trans178.3-176.3169.700000112.2D15 A37D15-G44 CarbonylContact O-C 3.4Å; D15-G44 WeakPolarHBondContact O-CA 3.41Å; A37-G44 PolarHBondContact N-O 3.04Å; A37-G44 PolarHBondContact O-N 2.86Å
45F92.3Very high87.3Confident45 Ų4563.6 Ų63.620%0.19731%0.311CS..EExtended strand (participates in β ladder)trans-90.1142.5178.6-67-77.2000112.2D15 E16 L17 Q31 W34 F35 K36D15-F45 HydrophobicContact CB-CD2 4.21Å; D15-F45 PolarHBondContact O-N 3.22Å; D15-F45 WeakPolarHBondContact OD2-CD2 3.37Å; E16-F45 WeakPolarHBondContact CA-O 3.43Å; L17-F45 PolarHBondContact N-O 3.28Å; Q31-F45 HydrophobicContact CB-CE1 4.34Å; W34-F45 HydrophobicContact CB-CB 4.5Å; W34-F45 HydrophobicContact CB-CD1 4.29Å; W34-F45 HydrophobicContact CD2-CB 4.46Å; W34-F45 HydrophobicContact CE3-CB 3.81Å; W34-F45 HydrophobicContact CZ3-CB 4.49Å; F35-F45 CarbonylContact O-C 3.38Å; F35-F45 WeakPolarHBondContact O-CA 3.29Å; K36-F45 HydrophobicContact CB-CD1 4.08Å; K36-F45 HydrophobicContact CB-CE1 3.9Å; K36-F45 HydrophobicContact CG-CE1 4.4Å
46V92.6Very high86.9Confident0 Ų064.7 Ų64.70%032%0.32CS..EExtended strand (participates in β ladder)trans-131.9141.7175.8-63.40000111.3L17 F19 L25 W34 F35 A37 Q48 I51L17-V46 HydrophobicContact CB-CG1 3.82Å; L17-V46 HydrophobicContact CD2-CG1 4.27Å; L17-V46 HydrophobicContact CG-CG1 4.34Å; L17-V46 WeakPolarHBondContact O-CG1 3.47Å; F19-V46 HydrophobicContact CD1-CB 4.36Å; F19-V46 HydrophobicContact CD1-CG1 3.68Å; F19-V46 HydrophobicContact CE1-CB 3.66Å; F19-V46 HydrophobicContact CE1-CG1 3.47Å; F19-V46 VanDerWaalsContact CE1-CG1 3.47Å; F19-V46 HydrophobicContact CZ-CB 4.46Å; L25-V46 HydrophobicContact CD2-CG1 3.78Å; L25-V46 HydrophobicContact CD2-CG2 4.46Å; W34-V46 WeakPolarHBondContact CA-O 3.38Å; F35-V46 HydrophobicContact CB-CG2 4Å; F35-V46 PolarHBondContact N-O 2.79Å; F35-V46 WeakPolarHBondContact O-CG2 3.15Å; F35-V46 PolarHBondContact O-N 2.87Å; A37-V46 HydrophobicContact CB-CG1 4.24Å; A37-V46 HydrophobicContact CB-CG2 3.73Å; V46-Q48 PolarHBondContact O-N 3.29Å; V46-I51 HydrophobicContact CG2-CD1 3.83Å; V46-I51 HydrophobicContact CG2-CG2 4.41Å
47P89.1Confident86.4Confident10 Ų1064.8 Ų64.87%0.06533%0.33CS..EExtended strand (participates in β ladder)trans-66.4133.5-179.5-17.729.2000111.4F9 W34 N49 Y50F9-P47 HydrophobicContact CD2-CG 3.81Å; F9-P47 HydrophobicContact CE1-CG 4.39Å; F9-P47 HydrophobicContact CE2-CG 3.58Å; F9-P47 HydrophobicContact CG-CG 4.32Å; F9-P47 HydrophobicContact CZ-CG 3.9Å; W34-P47 HydrophobicContact CE3-CG 4.13Å; W34-P47 HydrophobicContact CH2-CG 3.82Å; W34-P47 HydrophobicContact CZ3-CB 4.43Å; W34-P47 HydrophobicContact CZ3-CG 3.61Å; P47-N49 WeakPolarHBondContact CB-OD1 3.47Å; P47-N49 PolarHBondContact O-N 2.84Å; P47-Y50 HydrophobicContact CB-CD2 3.81Å; P47-Y50 HydrophobicContact CB-CG 4.28Å; P47-Y50 HydrophobicContact CG-CD2 4.09Å; P47-Y50 HydrophobicContact CG-CG 4.3Å; P47-Y50 PolarHBondContact O-N 2.86Å; P47-Y50 VanDerWaalsContact O-N 3.09Å
48Q88.3Confident86.2Confident64 Ų6465.5 Ų65.530%0.29933%0.332SS..G310 helixtrans-62.7-30.7-176.8-64.5-170.613.500113.1D32 E33 W34 F35 V46 I51D32-Q48 PolarHBondContact O-NE2 2.92Å; E33-Q48 WeakPolarHBondContact O-CG 3.49Å; E33-Q48 PolarHBondContact O-N 2.92Å; E33-Q48 VanDerWaalsContact O-N 3.11Å; W34-Q48 PolarHBondContact O-NE2 3.36Å; F35-Q48 HydrophobicContact CD1-CG 4.33Å; F35-Q48 HydrophobicContact CD2-CB 4.05Å; F35-Q48 HydrophobicContact CD2-CG 3.5Å; F35-Q48 VanDerWaalsContact CD2-CG 3.5Å; F35-Q48 HydrophobicContact CE1-CG 4.25Å; F35-Q48 HydrophobicContact CE2-CB 3.73Å; F35-Q48 HydrophobicContact CE2-CG 3.42Å; F35-Q48 VanDerWaalsContact CE2-CG 3.42Å; F35-Q48 HydrophobicContact CG-CG 3.95Å; F35-Q48 HydrophobicContact CZ-CB 4.36Å; F35-Q48 HydrophobicContact CZ-CG 3.79Å; V46-Q48 PolarHBondContact O-N 3.29Å; Q48-I51 VanDerWaalsContact O-O 3.1Å
49N89.1Confident86.1Confident91 Ų9164.9 Ų64.949%0.48733%0.329SS..G310 helixtrans-77.6-16.617859.2-26.1000114.2P47P47-N49 WeakPolarHBondContact CB-OD1 3.47Å; P47-N49 PolarHBondContact O-N 2.84Å
50Y89Confident86Confident89 Ų8968.4 Ų68.435%0.34934%0.344SS..G310 helixtrans-87.9-8.5176.6-82.4-115.5000113.4K6 Y7 E8 F9 P47K6-Y50 WeakPolarHBondContact CB-O 3.21Å; K6-Y50 PolarHBondContact N-O 3.09Å; Y7-Y50 HydrophobicContact CD2-CD1 4.24Å; Y7-Y50 HydrophobicContact CD2-CG 4.34Å; Y7-Y50 PolarHBondContact N-O 3.09Å; E8-Y50 WeakPolarHBondContact O-CD1 3.43Å; E8-Y50 WeakPolarHBondContact O-CE1 3.08Å; F9-Y50 HydrophobicContact CB-CD1 3.98Å; F9-Y50 HydrophobicContact CD2-CD1 4.21Å; F9-Y50 HydrophobicContact CD2-CE1 4.35Å; P47-Y50 HydrophobicContact CB-CD2 3.81Å; P47-Y50 HydrophobicContact CB-CG 4.28Å; P47-Y50 HydrophobicContact CG-CD2 4.09Å; P47-Y50 HydrophobicContact CG-CG 4.3Å; P47-Y50 PolarHBondContact O-N 2.86Å; P47-Y50 VanDerWaalsContact O-N 3.09Å
51I88.4Confident85.8Confident9 Ų965 Ų655%0.04633%0.328CS..EExtended strand (participates in β ladder)trans-124.6138.4179.375.1179.7000112.3A3 R4 F19 L25 I27 F35 V46 Q48A3-I51 HydrophobicContact CB-CB 4.11Å; A3-I51 HydrophobicContact CB-CD1 3.47Å; A3-I51 VanDerWaalsContact CB-CD1 3.47Å; A3-I51 HydrophobicContact CB-CG1 3.9Å; R4-I51 CarbonylContact O-C 3.54Å; R4-I51 VanDerWaalsContact O-CA 3.3Å; R4-I51 WeakPolarHBondContact O-CA 3.12Å; F19-I51 HydrophobicContact CE1-CG2 4.07Å; F19-I51 HydrophobicContact CE2-CG2 3.69Å; F19-I51 HydrophobicContact CZ-CG2 3.37Å; L25-I51 HydrophobicContact CD1-CG2 4.25Å; I27-I51 HydrophobicContact CD1-CD1 3.56Å; I27-I51 HydrophobicContact CG1-CD1 4.39Å; F35-I51 HydrophobicContact CB-CD1 4.43Å; F35-I51 HydrophobicContact CD2-CD1 3.43Å; F35-I51 VanDerWaalsContact CD2-CD1 3.43Å; F35-I51 HydrophobicContact CD2-CG1 3.99Å; F35-I51 HydrophobicContact CE2-CD1 4.12Å; F35-I51 HydrophobicContact CE2-CG1 4.29Å; F35-I51 HydrophobicContact CG-CD1 4.3Å; V46-I51 HydrophobicContact CG2-CD1 3.83Å; V46-I51 HydrophobicContact CG2-CG2 4.41Å; Q48-I51 VanDerWaalsContact O-O 3.1Å
52E84.1Confident85.9Confident105 Ų10568.9 Ų68.949%0.49134%0.339SS..EExtended strand (participates in β ladder)trans-93108.3170.4-178.7-178.3-108.300108.5A3 R4 Q54A3-E52 CarbonylContact C-O 3.51Å; A3-E52 WeakPolarHBondContact CA-O 3.36Å; R4-E52 PolarHBondContact N-O 3.28Å; R4-E52 PolarHBondContact O-N 3.14Å; E52-Q54 PolarHBondContact O-N 2.91Å; E52-Q54 PolarHBondContact O-NE2 2.92Å; E52-Q54 VanDerWaalsContact O-NE2 3.13Å; E52-Q54 PolarHBondContact OE2-NE2 3.23Å
53R81.9Confident86Confident130 Ų13063.1 Ų63.149%0.49132%0.315SS..EExtended strand (participates in β ladder)trans-53.3115.2173-68.8-170.8-66.3-170-0.8109M1 F35 I55M1-R53 HydrophobicContact SD-CG 4.45Å; F35-R53 HydrophobicContact CE2-CG 4.13Å; F35-R53 HydrophobicContact CZ-CG 4.23Å; R53-I55 HydrophobicContact CB-CG1 4.35Å; R53-I55 PolarHBondContact O-N 2.88Å
54Q73.3Confident85.9Confident62 Ų6260.3 Ų60.329%0.2931%0.306SS..  trans-78.977.2177-63.3-60.2-83.800107.2E2 R4 E52 P56E2-Q54 PolarHBondContact O-N 3.23Å; R4-Q54 HydrophobicContact CB-CG 3.64Å; E52-Q54 PolarHBondContact O-N 2.91Å; E52-Q54 PolarHBondContact O-NE2 2.92Å; E52-Q54 VanDerWaalsContact O-NE2 3.13Å; E52-Q54 PolarHBondContact OE2-NE2 3.23Å; Q54-P56 WeakPolarHBondContact O-CD 3.38Å
55I74Confident85.9Confident93 Ų9365.9 Ų65.948%0.47733%0.325SS..  trans-67109.6165.9-59.9175.5000105.3R53 F59R53-I55 HydrophobicContact CB-CG1 4.35Å; R53-I55 PolarHBondContact O-N 2.88Å; I55-F59 HydrophobicContact CG2-CB 4.05Å; I55-F59 HydrophobicContact CG2-CD1 3.82Å; I55-F59 HydrophobicContact CG2-CG 4.41Å
56P79.3Confident85.9Confident37 Ų3767.4 Ų67.424%0.2434%0.341CS..  trans-64.5155.4-172.1-23.837.4000110.8Q54 W58 F59Q54-P56 WeakPolarHBondContact O-CD 3.38Å; P56-W58 HydrophobicContact CB-CD2 3.74Å; P56-W58 HydrophobicContact CB-CE3 4.41Å; P56-W58 HydrophobicContact CB-CG 4.02Å; P56-W58 HydrophobicContact CB-CH2 4.43Å; P56-W58 HydrophobicContact CB-CZ2 3.78Å; P56-W58 HydrophobicContact CG-CD2 4.36Å; P56-W58 HydrophobicContact CG-CH2 4.01Å; P56-W58 HydrophobicContact CG-CZ2 3.61Å; P56-W58 PolarHBondContact O-N 3.13Å; P56-F59 PolarHBondContact O-N 3.26Å
57S79.3Confident85.9Confident77 Ų7769.3 Ų69.354%0.53836%0.355SS..THydrogen-bonded Turntrans-53-28.5179.762.90000113.6
58W87.9Confident86Confident14 Ų1468.8 Ų68.85%0.05335%0.352CS..THydrogen-bonded Turntrans-82.1-15.3175.452.8-104.1000114.8P56 F80 L81 I82 V129 D147P56-W58 HydrophobicContact CB-CD2 3.74Å; P56-W58 HydrophobicContact CB-CE3 4.41Å; P56-W58 HydrophobicContact CB-CG 4.02Å; P56-W58 HydrophobicContact CB-CH2 4.43Å; P56-W58 HydrophobicContact CB-CZ2 3.78Å; P56-W58 HydrophobicContact CG-CD2 4.36Å; P56-W58 HydrophobicContact CG-CH2 4.01Å; P56-W58 HydrophobicContact CG-CZ2 3.61Å; P56-W58 PolarHBondContact O-N 3.13Å; W58-F80 HydrophobicContact CB-CD2 4.02Å; W58-F80 HydrophobicContact CB-CE1 4.42Å; W58-F80 HydrophobicContact CB-CE2 3.49Å; W58-F80 VanDerWaalsContact CB-CE2 3.49Å; W58-F80 HydrophobicContact CB-CZ 3.71Å; W58-F80 AromaticContact CD1-CE2 3.98Å; W58-F80 AromaticContact CD1-CZ 3.48Å; W58-F80 VanDerWaalsContact CD1-CZ 3.48Å; W58-F80 AromaticContact CD2-CE2 3.73Å; W58-F80 HydrophobicContact CD2-CE2 3.73Å; W58-F80 AromaticContact CD2-CZ 3.97Å; W58-F80 HydrophobicContact CD2-CZ 3.97Å; W58-F80 HydrophobicContact CE3-CE2 4.16Å; W58-F80 HydrophobicContact CG-CD2 4.44Å; W58-F80 HydrophobicContact CG-CE1 4.46Å; W58-F80 AromaticContact CG-CE2 3.46Å; W58-F80 HydrophobicContact CG-CE2 3.46Å; W58-F80 VanDerWaalsContact CG-CE2 3.46Å; W58-F80 AromaticContact CG-CZ 3.46Å; W58-F80 HydrophobicContact CG-CZ 3.46Å; W58-F80 VanDerWaalsContact CG-CZ 3.46Å; W58-F80 AromaticContact NE1-CZ 3.94Å; W58-L81 CarbonylContact O-C 3.5Å; W58-L81 WeakPolarHBondContact O-CA 3.34Å; W58-L81 WeakPolarHBondContact O-CB 3.4Å; W58-I82 HydrophobicContact CE3-CB 4.28Å; W58-I82 HydrophobicContact CE3-CD1 4.15Å; W58-I82 HydrophobicContact CE3-CG1 3.94Å; W58-I82 HydrophobicContact CZ3-CB 4.47Å; W58-I82 HydrophobicContact CZ3-CD1 3.86Å; W58-I82 HydrophobicContact CZ3-CG1 4.13Å; W58-I82 PolarHBondContact O-N 3.28Å; W58-V129 HydrophobicContact CD2-CG2 4.42Å; W58-V129 HydrophobicContact CE3-CG2 4.21Å; W58-V129 HydrophobicContact CH2-CB 4.38Å; W58-V129 HydrophobicContact CH2-CG2 3.85Å; W58-V129 HydrophobicContact CZ2-CB 4.2Å; W58-V129 HydrophobicContact CZ2-CG1 4.11Å; W58-V129 HydrophobicContact CZ2-CG2 4.03Å; W58-V129 HydrophobicContact CZ3-CG2 3.94Å; W58-D147 VanDerWaalsContact CD1-OD2 3.23Å; W58-D147 PolarHBondContact NE1-OD2 3.01Å
59F88.4Confident86.3Confident35 Ų3568.1 Ų68.115%0.15435%0.349CS..BIsolated β-bridgetrans-92.3110178.2-169-93.8000111.2I55 P56 E61 I82 F92 L125I55-F59 HydrophobicContact CG2-CB 4.05Å; I55-F59 HydrophobicContact CG2-CD1 3.82Å; I55-F59 HydrophobicContact CG2-CG 4.41Å; P56-F59 PolarHBondContact O-N 3.26Å; F59-E61 HydrophobicContact CE1-CB 3.75Å; F59-E61 HydrophobicContact CZ-CB 4.05Å; F59-I82 HydrophobicContact CD2-CB 4.15Å; F59-I82 HydrophobicContact CD2-CG2 4.2Å; F59-I82 HydrophobicContact CE2-CG2 4.24Å; F59-F92 HydrophobicContact CE2-CD1 4.15Å; F59-F92 AromaticContact CE2-CE1 3.94Å; F59-F92 HydrophobicContact CE2-CE1 3.94Å; F59-F92 HydrophobicContact CZ-CD1 4.34Å; F59-F92 AromaticContact CZ-CE1 3.72Å; F59-F92 HydrophobicContact CZ-CE1 3.72Å; F59-F92 HydrophobicContact CZ-CZ 4.26Å; F59-L125 HydrophobicContact CD2-CD1 4.21Å; F59-L125 HydrophobicContact CE2-CD1 3.7Å
60K87.3Confident86.5Confident92 Ų9270.7 Ų70.740%0.436%0.358SS..  trans-133.374.3-179-62.6-167175.9-169.90110.5T62 A63 I82 R83K60-T62 VanDerWaalsContact C-N 3.26Å; K60-T62 PolarHBondContact O-N 2.75Å; K60-A63 HydrophobicContact CB-CB 3.85Å; K60-A63 VanDerWaalsContact O-CB 3.31Å; K60-A63 WeakPolarHBondContact O-CB 3.29Å; K60-A63 PolarHBondContact O-N 3.32Å; K60-I82 PolarHBondContact N-O 3.23Å; K60-R83 VanDerWaalsContact O-CA 3.32Å; K60-R83 WeakPolarHBondContact O-CA 3.35Å; K60-R83 VanDerWaalsContact O-CB 3.3Å; K60-R83 WeakPolarHBondContact O-CB 3.3Å
61E84.4Confident86.6Confident108 Ų10869.5 Ų69.551%0.50536%0.357SS..THydrogen-bonded Turntrans-51.9-40.9-175.2-174.2160.4-150.200113.8F59 A63 G84 F92F59-E61 HydrophobicContact CE1-CB 3.75Å; F59-E61 HydrophobicContact CZ-CB 4.05Å; E61-A63 VanDerWaalsContact C-N 3.33Å; E61-A63 PolarHBondContact O-N 2.7Å; E61-G84 WeakPolarHBondContact O-CA 3.47Å; E61-G84 PolarHBondContact O-N 2.72Å; E61-F92 HydrophobicContact CG-CE1 4.36Å
62T84.6Confident86.8Confident147 Ų14769.1 Ų69.190%0.90236%0.355SS*.THydrogen-bonded Turntrans-78.3-7.1179.852.50000114.9K60 S64K60-T62 VanDerWaalsContact C-N 3.26Å; K60-T62 PolarHBondContact O-N 2.75Å; T62-S64 PolarHBondContact O-N 2.85Å
63A88.1Confident87.1Confident12 Ų1268.4 Ų68.410%0.09935%0.353CS..  trans-69.8130.8-177.100000111.7K60 E61 R83K60-A63 HydrophobicContact CB-CB 3.85Å; K60-A63 VanDerWaalsContact O-CB 3.31Å; K60-A63 WeakPolarHBondContact O-CB 3.29Å; K60-A63 PolarHBondContact O-N 3.32Å; E61-A63 VanDerWaalsContact C-N 3.33Å; E61-A63 PolarHBondContact O-N 2.7Å; A63-R83 HydrophobicContact CB-CB 4.09Å; A63-R83 VanDerWaalsContact O-CD 3.25Å; A63-R83 WeakPolarHBondContact O-CD 3.41Å
64S91.4Very high87.4Confident41 Ų4167 Ų6729%0.28736%0.363SS..  trans-71.5166.2171.871.30000111.5T62 S66 S67 A68T62-S64 PolarHBondContact O-N 2.85Å; S64-S66 PolarHBondContact O-N 3.39Å; S64-S67 VanDerWaalsContact OG-CB 3.25Å; S64-S67 WeakPolarHBondContact OG-CB 3.31Å; S64-S67 PolarHBondContact OG-N 3.11Å; S64-A68 WeakPolarHBondContact O-CB 3.39Å; S64-A68 PolarHBondContact O-N 3.23Å
65R90.7Very high88.1Confident122 Ų12267.7 Ų67.746%0.4636%0.363SS..Hα-helixtrans-54.5-51.9171.7-179.6-177.9165.7152.85.1111A68 E69 H104R65-A68 CarbonylContact O-C 3.52Å; R65-A68 WeakPolarHBondContact O-CA 3.25Å; R65-A68 WeakPolarHBondContact O-CB 3.39Å; R65-A68 PolarHBondContact O-N 3.03Å; R65-A68 VanDerWaalsContact O-N 3.13Å; R65-E69 IonicContact CZ-OE1 3.85Å; R65-E69 VanDerWaalsContact CZ-OE1 3.26Å; R65-E69 IonicContact NE-OE1 3.62Å; R65-E69 PolarHBondContact NE-OE1 2.84Å; R65-E69 IonicContact NE-OE2 3.13Å; R65-E69 IonicContact NH2-OE1 2.73Å; R65-E69 PolarHBondContact NH2-OE1 2.99Å; R65-E69 WeakPolarHBondContact O-CG 3.48Å; R65-E69 PolarHBondContact O-N 2.85Å; R65-H104 PolarHBondContact NE-CD2 3.43Å; R65-H104 PolarHBondContact NE-NE2 2.78Å
66S92.6Very high89Confident77 Ų7769.5 Ų69.554%0.53837%0.369SS..Hα-helixtrans-73.3-31.9-174.6-54.30000113.6S64 A68 E69 E70S64-S66 PolarHBondContact O-N 3.39Å; S66-A68 VanDerWaalsContact C-N 3.28Å; S66-A68 PolarHBondContact O-N 3.42Å; S66-E69 VanDerWaalsContact CA-OE2 3.29Å; S66-E69 WeakPolarHBondContact CA-OE2 3.25Å; S66-E69 PolarHBondContact O-N 3.31Å; S66-E69 PolarHBondContact OG-OE2 2.72Å; S66-E70 WeakPolarHBondContact O-CB 3.41Å; S66-E70 PolarHBondContact O-N 3.17Å
67S92.9Very high89.6Confident40 Ų4071.3 Ų71.328%0.2838%0.38SS..Hα-helixtrans-65.1-34.7168.6-179.50000111.4S64 L71S64-S67 VanDerWaalsContact OG-CB 3.25Å; S64-S67 WeakPolarHBondContact OG-CB 3.31Å; S64-S67 PolarHBondContact OG-N 3.11Å; S67-L71 VanDerWaalsContact O-CB 3.24Å; S67-L71 WeakPolarHBondContact O-CB 3.49Å; S67-L71 WeakPolarHBondContact O-CG 3.39Å; S67-L71 PolarHBondContact O-N 2.84Å
68A91.9Very high90.2Very high0 Ų067.8 Ų67.80%036%0.355CS..Hα-helixtrans-72.3-33172.800000113.3S64 R65 S66 L72 L81S64-A68 WeakPolarHBondContact O-CB 3.39Å; S64-A68 PolarHBondContact O-N 3.23Å; R65-A68 CarbonylContact O-C 3.52Å; R65-A68 WeakPolarHBondContact O-CA 3.25Å; R65-A68 WeakPolarHBondContact O-CB 3.39Å; R65-A68 PolarHBondContact O-N 3.03Å; R65-A68 VanDerWaalsContact O-N 3.13Å; S66-A68 VanDerWaalsContact C-N 3.28Å; S66-A68 PolarHBondContact O-N 3.42Å; A68-L72 VanDerWaalsContact O-CB 3.28Å; A68-L72 WeakPolarHBondContact O-CB 3.46Å; A68-L72 WeakPolarHBondContact O-CG 3.09Å; A68-L72 PolarHBondContact O-N 3.13Å; A68-L81 HydrophobicContact CB-CD1 3.85Å; A68-L81 HydrophobicContact CB-CD2 3.94Å; A68-L81 HydrophobicContact CB-CG 4.2Å
69E94.1Very high90.5Very high50 Ų5067.3 Ų67.323%0.23436%0.355CS..Hα-helixtrans-62.4-51.9170.7-69.216315600109.6R65 S66 L72 M73 V102 H104R65-E69 IonicContact CZ-OE1 3.85Å; R65-E69 VanDerWaalsContact CZ-OE1 3.26Å; R65-E69 IonicContact NE-OE1 3.62Å; R65-E69 PolarHBondContact NE-OE1 2.84Å; R65-E69 IonicContact NE-OE2 3.13Å; R65-E69 IonicContact NH2-OE1 2.73Å; R65-E69 PolarHBondContact NH2-OE1 2.99Å; R65-E69 WeakPolarHBondContact O-CG 3.48Å; R65-E69 PolarHBondContact O-N 2.85Å; S66-E69 VanDerWaalsContact CA-OE2 3.29Å; S66-E69 WeakPolarHBondContact CA-OE2 3.25Å; S66-E69 PolarHBondContact O-N 3.31Å; S66-E69 PolarHBondContact OG-OE2 2.72Å; E69-L72 PolarHBondContact O-N 3Å; E69-M73 WeakPolarHBondContact O-CB 3.21Å; E69-M73 WeakPolarHBondContact O-CG 3.27Å; E69-M73 PolarHBondContact O-N 3.49Å; E69-V102 HydrophobicContact CG-CB 4.23Å; E69-V102 HydrophobicContact CG-CG1 4.3Å; E69-H104 IonicContact OE1-NE2 3.43Å; E69-H104 PolarHBondContact OE1-NE2 3.27Å; E69-H104 VanDerWaalsContact OE1-NE2 3.13Å
70E93.1Very high90.8Very high145 Ų14565.7 Ų65.768%0.67835%0.348SS*.Hα-helixtrans-57.6-51.8177.1-177.6178.7-15200113.4S66 L72 M73S66-E70 WeakPolarHBondContact O-CB 3.41Å; S66-E70 PolarHBondContact O-N 3.17Å; E70-L72 VanDerWaalsContact C-N 3.26Å; E70-L72 PolarHBondContact O-N 2.89Å; E70-M73 PolarHBondContact O-N 2.78Å
71L90.6Very high91.1Very high64 Ų6461.5 Ų61.534%0.33533%0.33SS..Hα-helixtrans-66.8-21.8-178.3-74.4171.5000114.3S67 S74 R75S67-L71 VanDerWaalsContact O-CB 3.24Å; S67-L71 WeakPolarHBondContact O-CB 3.49Å; S67-L71 WeakPolarHBondContact O-CG 3.39Å; S67-L71 PolarHBondContact O-N 2.84Å; L71-S74 PolarHBondContact O-OG 3.48Å; L71-R75 WeakPolarHBondContact O-CD 3.39Å
72L93.4Very high91.5Very high1 Ų156.3 Ų56.31%0.00531%0.306CS..Hα-helixtrans-99.1-22179.4-63-176.6000112.6A68 E69 E70 S74 R75 L81 S95 R97 V102A68-L72 VanDerWaalsContact O-CB 3.28Å; A68-L72 WeakPolarHBondContact O-CB 3.46Å; A68-L72 WeakPolarHBondContact O-CG 3.09Å; A68-L72 PolarHBondContact O-N 3.13Å; E69-L72 PolarHBondContact O-N 3Å; E70-L72 VanDerWaalsContact C-N 3.26Å; E70-L72 PolarHBondContact O-N 2.89Å; L72-S74 PolarHBondContact O-N 3.47Å; L72-R75 PolarHBondContact O-N 3.05Å; L72-R75 VanDerWaalsContact O-N 3.09Å; L72-L81 HydrophobicContact CD1-CD2 4.35Å; L72-L81 HydrophobicContact CD1-CG 4.21Å; L72-L81 HydrophobicContact CD2-CD2 4.11Å; L72-L81 HydrophobicContact CD2-CG 4.47Å; L72-L81 HydrophobicContact CG-CD2 4.11Å; L72-L81 HydrophobicContact CG-CG 4.49Å; L72-S95 VanDerWaalsContact CD1-C 3.4Å; L72-S95 WeakPolarHBondContact CD1-O 3.24Å; L72-R97 HydrophobicContact CB-CB 4.3Å; L72-R97 WeakPolarHBondContact O-CD 3.42Å; L72-V102 HydrophobicContact CB-CG1 4.36Å; L72-V102 HydrophobicContact CB-CG2 3.78Å; L72-V102 HydrophobicContact CD1-CG1 3.93Å
73M90.1Very high91.9Very high89 Ų8950 Ų5044%0.43827%0.265SS..Hα-helixtrans-65.4-19.9173.4-78.6-65.6-169.600113.9E69 E70 R97 V102E69-M73 WeakPolarHBondContact O-CB 3.21Å; E69-M73 WeakPolarHBondContact O-CG 3.27Å; E69-M73 PolarHBondContact O-N 3.49Å; E70-M73 PolarHBondContact O-N 2.78Å; M73-R97 PolarHBondContact O-NH1 2.98Å; M73-V102 HydrophobicContact CE-CG2 4.21Å; M73-V102 HydrophobicContact CG-CG2 4.13Å; M73-V102 HydrophobicContact SD-CG2 4.28Å
74S87.6Confident91.8Very high102 Ų10250.1 Ų50.171%0.71327%0.268SS*.THydrogen-bonded Turntrans-92.1-2172.557.50000114.7L71 L72L71-S74 PolarHBondContact O-OG 3.48Å; L72-S74 PolarHBondContact O-N 3.47Å
75R89.4Confident91.1Very high76 Ų7648.7 Ų48.729%0.28726%0.258SS..SBendtrans-103.8162.6-179.2-65.5177.377.8-166.64.2112.2L71 L72 F80 R97 D147L71-R75 WeakPolarHBondContact O-CD 3.39Å; L72-R75 PolarHBondContact O-N 3.05Å; L72-R75 VanDerWaalsContact O-N 3.09Å; R75-F80 PolarHBondContact NH1-O 3.21Å; R75-R97 PolarHBondContact O-NH1 3.13Å; R75-D147 PolarHBondContact NH2-O 3.09Å
76E91.4Very high90.3Very high131 Ų13149.4 Ų49.461%0.61227%0.266SS*.PPolyproline II helixtrans-61.3156.2171.9-62178.8170.400112G78 G79E76-G78 PolarHBondContact O-N 2.81Å; E76-G79 PolarHBondContact O-N 3.12Å
77V93Very high89.5Confident75 Ų7550.8 Ų50.846%0.45528%0.276SS..THydrogen-bonded Turntrans-60.6135.3177.6178.40000110.4G79 R146V77-G79 VanDerWaalsContact C-N 3.29Å; V77-R146 WeakPolarHBondContact O-CD 3.17Å
78G91Very high88.5Confident2 Ų250.5 Ų50.52%0.02127%0.274CS..THydrogen-bonded Turntrans87.6-14.6-169.900000114.3E76 F80 R97 Y144 R146E76-G78 PolarHBondContact O-N 2.81Å; G78-F80 PolarHBondContact O-N 3.04Å; G78-R97 PolarHBondContact N-O 2.83Å; G78-Y144 WeakPolarHBondContact CA-O 3.4Å; G78-R146 PolarHBondContact O-N 3.22Å
79G94.4Very high87.3Confident5 Ų556.8 Ų56.85%0.05232%0.315CS..BIsolated β-bridgetrans-58125.2172.500000111.2E76 V77 R97E76-G79 PolarHBondContact O-N 3.12Å; V77-G79 VanDerWaalsContact C-N 3.29Å; G79-R97 WeakPolarHBondContact O-CB 3.45Å; G79-R97 PolarHBondContact O-N 3.26Å
80F95.3Very high86.1Confident0 Ų057.7 Ų57.70%034%0.337CS..EExtended strand (participates in β ladder)trans-135.1166.5-168.176.6-77.7000114W58 R75 G78 I94 S95 V96 V129 L145 R146W58-F80 HydrophobicContact CB-CD2 4.02Å; W58-F80 HydrophobicContact CB-CE1 4.42Å; W58-F80 HydrophobicContact CB-CE2 3.49Å; W58-F80 VanDerWaalsContact CB-CE2 3.49Å; W58-F80 HydrophobicContact CB-CZ 3.71Å; W58-F80 AromaticContact CD1-CE2 3.98Å; W58-F80 AromaticContact CD1-CZ 3.48Å; W58-F80 VanDerWaalsContact CD1-CZ 3.48Å; W58-F80 AromaticContact CD2-CE2 3.73Å; W58-F80 HydrophobicContact CD2-CE2 3.73Å; W58-F80 AromaticContact CD2-CZ 3.97Å; W58-F80 HydrophobicContact CD2-CZ 3.97Å; W58-F80 HydrophobicContact CE3-CE2 4.16Å; W58-F80 HydrophobicContact CG-CD2 4.44Å; W58-F80 HydrophobicContact CG-CE1 4.46Å; W58-F80 AromaticContact CG-CE2 3.46Å; W58-F80 HydrophobicContact CG-CE2 3.46Å; W58-F80 VanDerWaalsContact CG-CE2 3.46Å; W58-F80 AromaticContact CG-CZ 3.46Å; W58-F80 HydrophobicContact CG-CZ 3.46Å; W58-F80 VanDerWaalsContact CG-CZ 3.46Å; W58-F80 AromaticContact NE1-CZ 3.94Å; R75-F80 PolarHBondContact NH1-O 3.21Å; G78-F80 PolarHBondContact O-N 3.04Å; F80-I94 HydrophobicContact CD2-CG2 4.28Å; F80-S95 CarbonylContact C-O 3.54Å; F80-S95 VanDerWaalsContact CA-O 3.24Å; F80-S95 WeakPolarHBondContact CA-O 3.43Å; F80-S95 WeakPolarHBondContact CB-O 3.12Å; F80-V96 HydrophobicContact CB-CB 3.99Å; F80-V96 HydrophobicContact CB-CG2 4.05Å; F80-V129 HydrophobicContact CE1-CG1 4.45Å; F80-V129 HydrophobicContact CE2-CB 4.5Å; F80-V129 HydrophobicContact CE2-CG1 3.83Å; F80-V129 HydrophobicContact CE2-CG2 3.82Å; F80-V129 HydrophobicContact CZ-CG1 3.47Å; F80-V129 VanDerWaalsContact CZ-CG1 3.47Å; F80-V129 HydrophobicContact CZ-CG2 4.33Å; F80-L145 HydrophobicContact CB-CD2 3.76Å; F80-L145 HydrophobicContact CD1-CB 3.7Å; F80-L145 HydrophobicContact CD1-CD2 4.22Å; F80-L145 HydrophobicContact CD1-CG 4.39Å; F80-L145 HydrophobicContact CD2-CD1 4.09Å; F80-L145 HydrophobicContact CD2-CD2 4.19Å; F80-L145 HydrophobicContact CE1-CB 3.84Å; F80-L145 HydrophobicContact CE2-CD1 4.15Å; F80-L145 HydrophobicContact CG-CB 4.11Å; F80-L145 HydrophobicContact CG-CD1 4.36Å; F80-L145 HydrophobicContact CG-CD2 3.79Å; F80-L145 HydrophobicContact CG-CG 4.3Å; F80-L145 HydrophobicContact CZ-CB 4.36Å; F80-L145 HydrophobicContact CZ-CD1 4.47Å; F80-R146 VanDerWaalsContact CD1-O 3.28Å; F80-R146 WeakPolarHBondContact CD1-O 3.26Å
81L93.7Very high85.6Confident4 Ų452.8 Ų52.82%0.02131%0.314CS..EExtended strand (participates in β ladder)trans-147.9151.9164.268.587000111.4W58 A68 L72 R83 I94 S95W58-L81 CarbonylContact O-C 3.5Å; W58-L81 WeakPolarHBondContact O-CA 3.34Å; W58-L81 WeakPolarHBondContact O-CB 3.4Å; A68-L81 HydrophobicContact CB-CD1 3.85Å; A68-L81 HydrophobicContact CB-CD2 3.94Å; A68-L81 HydrophobicContact CB-CG 4.2Å; L72-L81 HydrophobicContact CD1-CD2 4.35Å; L72-L81 HydrophobicContact CD1-CG 4.21Å; L72-L81 HydrophobicContact CD2-CD2 4.11Å; L72-L81 HydrophobicContact CD2-CG 4.47Å; L72-L81 HydrophobicContact CG-CD2 4.11Å; L72-L81 HydrophobicContact CG-CG 4.49Å; L81-R83 HydrophobicContact CD1-CB 3.76Å; L81-R83 HydrophobicContact CD1-CG 3.97Å; L81-I94 CarbonylContact O-C 3.58Å; L81-I94 WeakPolarHBondContact O-CA 3.48Å; L81-S95 PolarHBondContact N-O 2.81Å; L81-S95 PolarHBondContact O-N 2.84Å
82I92.8Very high85.6Confident0 Ų051 Ų510%030%0.304CS..EExtended strand (participates in β ladder)trans-102.5129.4167.5-54.9-163.9000108.3W58 F59 K60 F92 I94 L125 V129W58-I82 HydrophobicContact CE3-CB 4.28Å; W58-I82 HydrophobicContact CE3-CD1 4.15Å; W58-I82 HydrophobicContact CE3-CG1 3.94Å; W58-I82 HydrophobicContact CZ3-CB 4.47Å; W58-I82 HydrophobicContact CZ3-CD1 3.86Å; W58-I82 HydrophobicContact CZ3-CG1 4.13Å; W58-I82 PolarHBondContact O-N 3.28Å; F59-I82 HydrophobicContact CD2-CB 4.15Å; F59-I82 HydrophobicContact CD2-CG2 4.2Å; F59-I82 HydrophobicContact CE2-CG2 4.24Å; K60-I82 PolarHBondContact N-O 3.23Å; I82-F92 HydrophobicContact CG2-CB 3.93Å; I82-F92 HydrophobicContact CG2-CD1 4.45Å; I82-F92 HydrophobicContact CG2-CG 4.39Å; I82-I94 HydrophobicContact CD1-CD1 3.76Å; I82-I94 HydrophobicContact CD1-CG1 3.94Å; I82-I94 HydrophobicContact CG1-CB 4.44Å; I82-I94 HydrophobicContact CG1-CD1 4.19Å; I82-I94 HydrophobicContact CG1-CG1 3.92Å; I82-I94 HydrophobicContact CG1-CG2 4.28Å; I82-L125 HydrophobicContact CD1-CD2 4.38Å; I82-L125 HydrophobicContact CG2-CD1 4.5Å; I82-V129 HydrophobicContact CD1-CG2 3.6Å; I82-V129 HydrophobicContact CG1-CG2 4.4Å
83R91.9Very high85.6Confident14 Ų1451.4 Ų51.45%0.05331%0.307CS..EExtended strand (participates in β ladder)trans-130.2167.1-179.757.8168-179.979-0.5111.9K60 A63 L81 F92 S93 S95K60-R83 VanDerWaalsContact O-CA 3.32Å; K60-R83 WeakPolarHBondContact O-CA 3.35Å; K60-R83 VanDerWaalsContact O-CB 3.3Å; K60-R83 WeakPolarHBondContact O-CB 3.3Å; A63-R83 HydrophobicContact CB-CB 4.09Å; A63-R83 VanDerWaalsContact O-CD 3.25Å; A63-R83 WeakPolarHBondContact O-CD 3.41Å; L81-R83 HydrophobicContact CD1-CB 3.76Å; L81-R83 HydrophobicContact CD1-CG 3.97Å; R83-F92 CarbonylContact O-C 3.56Å; R83-F92 WeakPolarHBondContact O-CA 3.32Å; R83-S93 WeakPolarHBondContact CG-O 3.4Å; R83-S93 PolarHBondContact N-O 2.93Å; R83-S93 PolarHBondContact O-N 3.3Å; R83-S95 PolarHBondContact NE-OG 2.93Å
84G86.9Confident85.8Confident15 Ų1547.2 Ų47.216%0.15529%0.286CS..EExtended strand (participates in β ladder)trans-63.7150.3168.300000112.1E61 Q86E61-G84 WeakPolarHBondContact O-CA 3.47Å; E61-G84 PolarHBondContact O-N 2.72Å; G84-Q86 PolarHBondContact O-N 3.48Å
85S76.8Confident86.1Confident11 Ų1142.3 Ų42.38%0.07725%0.252CS..  trans-86.6104.9174.3-175.50000110.8S87 S88 E91S85-S87 PolarHBondContact O-N 2.83Å; S85-S87 PolarHBondContact OG-OG 2.87Å; S85-S88 WeakPolarHBondContact CB-O 3.45Å; S85-S88 CarbonylContact O-C 3.59Å; S85-S88 VanDerWaalsContact O-C 3.3Å; S85-S88 PolarHBondContact O-N 2.89Å; S85-S88 PolarHBondContact OG-N 3.13Å; S85-E91 WeakPolarHBondContact CB-O 3.46Å; S85-E91 PolarHBondContact N-O 3.46Å
86Q74.4Confident86.4Confident136 Ų13638.7 Ų38.764%0.63624%0.239SC*.THydrogen-bonded Turntrans-58.1-20.6175.6-64.3-178.6-8600113.8G84G84-Q86 PolarHBondContact O-N 3.48Å
87S74Confident86.6Confident106 Ų10634.5 Ų34.574%0.74122%0.217SC*.THydrogen-bonded Turntrans-100.30.9177.256.80000113.9S85S85-S87 PolarHBondContact O-N 2.83Å; S85-S87 PolarHBondContact OG-OG 2.87Å
88S72.3Confident86.5Confident34 Ų3431.3 Ų31.324%0.23820%0.197CC..SBendtrans-157.192.3179.3-52.80000110.5S85 G90 E91S85-S88 WeakPolarHBondContact CB-O 3.45Å; S85-S88 CarbonylContact O-C 3.59Å; S85-S88 VanDerWaalsContact O-C 3.3Å; S85-S88 PolarHBondContact O-N 2.89Å; S85-S88 PolarHBondContact OG-N 3.13Å; S88-G90 PolarHBondContact O-N 2.8Å; S88-E91 WeakPolarHBondContact O-CB 3.23Å; S88-E91 PolarHBondContact O-N 2.84Å; S88-E91 VanDerWaalsContact O-N 3.07Å
89P67.4Low86.4Confident132 Ų13236.4 Ų36.486%0.85722%0.221SC*.THydrogen-bonded Turntrans-53.1132.4178.2-26.935.6000112.2E91P89-E91 VanDerWaalsContact C-N 3.35Å
90G68.2Low86.1Confident69 Ų6944.3 Ų44.371%0.71125%0.254SS*.THydrogen-bonded Turntrans85.6-8.1-176.700000116S88S88-G90 PolarHBondContact O-N 2.8Å
91E82.8Confident86Confident42 Ų4246.8 Ų46.820%0.19627%0.267CS..  trans-99154.8174.5-59.7-93.981.200110.9S85 S88 P89 K106 M108S85-E91 WeakPolarHBondContact CB-O 3.46Å; S85-E91 PolarHBondContact N-O 3.46Å; S88-E91 WeakPolarHBondContact O-CB 3.23Å; S88-E91 PolarHBondContact O-N 2.84Å; S88-E91 VanDerWaalsContact O-N 3.07Å; P89-E91 VanDerWaalsContact C-N 3.35Å; E91-K106 WeakPolarHBondContact OE2-CE 3.36Å; E91-K106 IonicContact OE2-NZ 2.75Å; E91-K106 PolarHBondContact OE2-NZ 3.42Å; E91-M108 VanDerWaalsContact OE2-CE 3.3Å; E91-M108 WeakPolarHBondContact OE2-CE 3.21Å
92F90.5Very high86Confident28 Ų2847.1 Ų47.112%0.12327%0.269CS..EExtended strand (participates in β ladder)trans-109.3166.6-179.7-59.6-73.5000112.8F59 E61 I82 R83 V107 Y115 L125F59-F92 HydrophobicContact CE2-CD1 4.15Å; F59-F92 AromaticContact CE2-CE1 3.94Å; F59-F92 HydrophobicContact CE2-CE1 3.94Å; F59-F92 HydrophobicContact CZ-CD1 4.34Å; F59-F92 AromaticContact CZ-CE1 3.72Å; F59-F92 HydrophobicContact CZ-CE1 3.72Å; F59-F92 HydrophobicContact CZ-CZ 4.26Å; E61-F92 HydrophobicContact CG-CE1 4.36Å; I82-F92 HydrophobicContact CG2-CB 3.93Å; I82-F92 HydrophobicContact CG2-CD1 4.45Å; I82-F92 HydrophobicContact CG2-CG 4.39Å; R83-F92 CarbonylContact O-C 3.56Å; R83-F92 WeakPolarHBondContact O-CA 3.32Å; F92-V107 HydrophobicContact CB-CB 4Å; F92-V107 HydrophobicContact CB-CG2 4.04Å; F92-V107 PolarHBondContact O-N 2.84Å; F92-Y115 HydrophobicContact CD2-CE1 4.2Å; F92-Y115 HydrophobicContact CE2-CE1 4.18Å; F92-L125 HydrophobicContact CD2-CD1 4.2Å; F92-L125 HydrophobicContact CE2-CD1 4.31Å; F92-L125 HydrophobicContact CG-CD1 4.49Å
93S92.9Very high86Confident9 Ų948.7 Ų48.76%0.06328%0.277CS..EExtended strand (participates in β ladder)trans-145.5128.2174-64.60000110.8R83 F105R83-S93 WeakPolarHBondContact CG-O 3.4Å; R83-S93 PolarHBondContact N-O 2.93Å; R83-S93 PolarHBondContact O-N 3.3Å; S93-F105 CarbonylContact C-O 3.58Å; S93-F105 WeakPolarHBondContact CA-O 3.3Å
94I94.3Very high86.1Confident0 Ų050.3 Ų50.30%028%0.284CS..EExtended strand (participates in β ladder)trans-85.2121.8173-44.5-162.5000107.6F80 L81 I82 H104 F105 V107 L117 L128 I137 L145F80-I94 HydrophobicContact CD2-CG2 4.28Å; L81-I94 CarbonylContact O-C 3.58Å; L81-I94 WeakPolarHBondContact O-CA 3.48Å; I82-I94 HydrophobicContact CD1-CD1 3.76Å; I82-I94 HydrophobicContact CD1-CG1 3.94Å; I82-I94 HydrophobicContact CG1-CB 4.44Å; I82-I94 HydrophobicContact CG1-CD1 4.19Å; I82-I94 HydrophobicContact CG1-CG1 3.92Å; I82-I94 HydrophobicContact CG1-CG2 4.28Å; I94-H104 CarbonylContact O-C 3.53Å; I94-H104 VanDerWaalsContact O-CA 3.29Å; I94-H104 WeakPolarHBondContact O-CA 3.3Å; I94-F105 PolarHBondContact N-O 2.86Å; I94-F105 PolarHBondContact O-N 2.89Å; I94-V107 HydrophobicContact CD1-CG2 4.05Å; I94-V107 HydrophobicContact CG1-CG2 3.52Å; I94-L117 HydrophobicContact CD1-CD1 4.2Å; I94-L117 HydrophobicContact CD1-CD2 4.38Å; I94-L128 HydrophobicContact CD1-CD2 3.42Å; I94-L128 VanDerWaalsContact CD1-CD2 3.42Å; I94-I137 HydrophobicContact CB-CD1 4.26Å; I94-I137 HydrophobicContact CD1-CD1 4.05Å; I94-I137 HydrophobicContact CG2-CD1 4.03Å; I94-L145 HydrophobicContact CG2-CD2 4.23Å
95S94.9Very high86.4Confident0 Ų050.8 Ų50.80%028%0.282CS..EExtended strand (participates in β ladder)trans-103.5130.1169.8-48.70000107.3L72 F80 L81 R83 Q103 H104L72-S95 VanDerWaalsContact CD1-C 3.4Å; L72-S95 WeakPolarHBondContact CD1-O 3.24Å; F80-S95 CarbonylContact C-O 3.54Å; F80-S95 VanDerWaalsContact CA-O 3.24Å; F80-S95 WeakPolarHBondContact CA-O 3.43Å; F80-S95 WeakPolarHBondContact CB-O 3.12Å; L81-S95 PolarHBondContact N-O 2.81Å; L81-S95 PolarHBondContact O-N 2.84Å; R83-S95 PolarHBondContact NE-OG 2.93Å; S95-Q103 CarbonylContact C-O 3.3Å; S95-Q103 WeakPolarHBondContact CA-O 3.38Å; S95-H104 WeakPolarHBondContact CB-ND1 3.44Å; S95-H104 PolarHBondContact OG-ND1 2.87Å
96V95.8Very high87.1Confident0 Ų054.1 Ų54.10%030%0.295CS..EExtended strand (participates in β ladder)trans-136.6137.8-177.858.50000110.6F80 H98 V102 Q103 F105 I137 I143 L145F80-V96 HydrophobicContact CB-CB 3.99Å; F80-V96 HydrophobicContact CB-CG2 4.05Å; V96-H98 PolarHBondContact O-N 3.19Å; V96-V102 WeakPolarHBondContact O-CA 3.4Å; V96-Q103 HydrophobicContact CG1-CB 4.35Å; V96-Q103 PolarHBondContact N-O 2.86Å; V96-Q103 PolarHBondContact O-N 3.32Å; V96-F105 HydrophobicContact CG1-CD2 4.1Å; V96-F105 HydrophobicContact CG1-CE2 3.67Å; V96-I137 HydrophobicContact CG1-CG2 4.34Å; V96-I143 HydrophobicContact CG1-CG2 4.03Å; V96-I143 HydrophobicContact CG2-CG2 3.96Å; V96-L145 HydrophobicContact CB-CD2 4.17Å; V96-L145 HydrophobicContact CG2-CD2 3.97Å
97R94.5Very high87.9Confident43 Ų4347.7 Ų47.716%0.16227%0.266CS..EExtended strand (participates in β ladder)trans-70.7117.5173.8-179.960.1-164.3-94.88.4110L72 M73 R75 G78 G79 E99L72-R97 HydrophobicContact CB-CB 4.3Å; L72-R97 WeakPolarHBondContact O-CD 3.42Å; M73-R97 PolarHBondContact O-NH1 2.98Å; R75-R97 PolarHBondContact O-NH1 3.13Å; G78-R97 PolarHBondContact N-O 2.83Å; G79-R97 WeakPolarHBondContact O-CB 3.45Å; G79-R97 PolarHBondContact O-N 3.26Å; R97-E99 PolarHBondContact NH2-O 3.43Å
98H91.9Very high88.7Confident8 Ų845.8 Ų45.84%0.03725%0.246CC..  trans-100.9176.5165.3-178.6-97.7000108.9V96 F100 D101 Q103 R141 I143V96-H98 PolarHBondContact O-N 3.19Å; H98-F100 PolarHBondContact O-N 3.45Å; H98-D101 CarbonylContact C-O 3.46Å; H98-D101 WeakPolarHBondContact CA-O 3.35Å; H98-D101 WeakPolarHBondContact CB-O 3.43Å; H98-D101 IonicContact CE1-OD1 3.81Å; H98-D101 IonicContact CG-OD1 3.82Å; H98-D101 PolarHBondContact N-O 2.76Å; H98-D101 IonicContact ND1-OD1 3.08Å; H98-D101 PolarHBondContact ND1-OD1 3.06Å; H98-D101 VanDerWaalsContact O-O 3.11Å; H98-Q103 HydrophobicContact CB-CG 4.22Å; H98-R141 PolarHBondContact CE1-NH1 3.47Å; H98-R141 PolarHBondContact ND1-NH1 3.08Å; H98-R141 VanDerWaalsContact NE2-CD 3.31Å; H98-R141 WeakPolarHBondContact NE2-CD 3.46Å; H98-I143 HydrophobicContact CB-CD1 4.32Å; H98-I143 WeakPolarHBondContact CD2-CD1 3.46Å
99E88.6Confident89.4Confident109 Ų10949 Ų4951%0.50926%0.255SS..SBendtrans-49.1-56.9-172.8-59.7175.2120.900113.6R97R97-E99 PolarHBondContact NH2-O 3.43Å
100F89.1Confident90.5Very high170 Ų17044 Ų4475%0.74622%0.222SC*.SBendtrans-108.4-10.7-172.9-54.1-77.9000113.8H98H98-F100 PolarHBondContact O-N 3.45Å
101D91.9Very high91.4Very high52 Ų5247.1 Ų47.128%0.27823%0.232SC..SBendtrans-145.9165.1-16457.3-41000111.8H98 Q103H98-D101 CarbonylContact C-O 3.46Å; H98-D101 WeakPolarHBondContact CA-O 3.35Å; H98-D101 WeakPolarHBondContact CB-O 3.43Å; H98-D101 IonicContact CE1-OD1 3.81Å; H98-D101 IonicContact CG-OD1 3.82Å; H98-D101 PolarHBondContact N-O 2.76Å; H98-D101 IonicContact ND1-OD1 3.08Å; H98-D101 PolarHBondContact ND1-OD1 3.06Å; H98-D101 VanDerWaalsContact O-O 3.11Å; D101-Q103 WeakPolarHBondContact OD2-CG 3.3Å; D101-Q103 PolarHBondContact OD2-NE2 2.92Å; D101-Q103 VanDerWaalsContact OD2-NE2 3.12Å
102V93.7Very high91.5Very high12 Ų1253.3 Ų53.37%0.07326%0.259CS..EExtended strand (participates in β ladder)trans-108.7120.9168171.50000107.4E69 L72 M73 V96E69-V102 HydrophobicContact CG-CB 4.23Å; E69-V102 HydrophobicContact CG-CG1 4.3Å; L72-V102 HydrophobicContact CB-CG1 4.36Å; L72-V102 HydrophobicContact CB-CG2 3.78Å; L72-V102 HydrophobicContact CD1-CG1 3.93Å; M73-V102 HydrophobicContact CE-CG2 4.21Å; M73-V102 HydrophobicContact CG-CG2 4.13Å; M73-V102 HydrophobicContact SD-CG2 4.28Å; V96-V102 WeakPolarHBondContact O-CA 3.4Å
103Q94Very high91.2Very high33 Ų3353.2 Ų53.215%0.15427%0.265CS..EExtended strand (participates in β ladder)trans-97.2144.3-178.4-67.2-178.820.400110.3S95 V96 H98 D101 F105S95-Q103 CarbonylContact C-O 3.3Å; S95-Q103 WeakPolarHBondContact CA-O 3.38Å; V96-Q103 HydrophobicContact CG1-CB 4.35Å; V96-Q103 PolarHBondContact N-O 2.86Å; V96-Q103 PolarHBondContact O-N 3.32Å; H98-Q103 HydrophobicContact CB-CG 4.22Å; D101-Q103 WeakPolarHBondContact OD2-CG 3.3Å; D101-Q103 PolarHBondContact OD2-NE2 2.92Å; D101-Q103 VanDerWaalsContact OD2-NE2 3.12Å; Q103-F105 HydrophobicContact CB-CE2 3.76Å; Q103-F105 HydrophobicContact CB-CZ 4.1Å
104H93.4Very high90.9Very high47 Ų4755.4 Ų55.422%0.21828%0.275CS..EExtended strand (participates in β ladder)trans-120.5121.4-179.6-51.9-74.8000111R65 E69 I94 S95R65-H104 PolarHBondContact NE-CD2 3.43Å; R65-H104 PolarHBondContact NE-NE2 2.78Å; E69-H104 IonicContact OE1-NE2 3.43Å; E69-H104 PolarHBondContact OE1-NE2 3.27Å; E69-H104 VanDerWaalsContact OE1-NE2 3.13Å; I94-H104 CarbonylContact O-C 3.53Å; I94-H104 VanDerWaalsContact O-CA 3.29Å; I94-H104 WeakPolarHBondContact O-CA 3.3Å; S95-H104 WeakPolarHBondContact CB-ND1 3.44Å; S95-H104 PolarHBondContact OG-ND1 2.87Å
105F92.8Very high90.8Very high25 Ų2557.3 Ų57.311%0.1128%0.282CS..EExtended strand (participates in β ladder)trans-109.8122.6176.2-58.4-87.4000108.8S93 I94 V96 Q103 V107 L117 W118 I137S93-F105 CarbonylContact C-O 3.58Å; S93-F105 WeakPolarHBondContact CA-O 3.3Å; I94-F105 PolarHBondContact N-O 2.86Å; I94-F105 PolarHBondContact O-N 2.89Å; V96-F105 HydrophobicContact CG1-CD2 4.1Å; V96-F105 HydrophobicContact CG1-CE2 3.67Å; Q103-F105 HydrophobicContact CB-CE2 3.76Å; Q103-F105 HydrophobicContact CB-CZ 4.1Å; F105-V107 PolarHBondContact O-N 3.04Å; F105-L117 HydrophobicContact CB-CD2 3.54Å; F105-L117 HydrophobicContact CB-CG 4.23Å; F105-L117 HydrophobicContact CG-CD2 4.17Å; F105-W118 HydrophobicContact CD1-CZ2 4.12Å; F105-W118 HydrophobicContact CE1-CZ2 4.23Å; F105-I137 HydrophobicContact CD2-CD1 4.02Å; F105-I137 HydrophobicContact CD2-CG1 4.15Å; F105-I137 HydrophobicContact CD2-CG2 4.19Å; F105-I137 HydrophobicContact CE2-CG2 3.76Å; F105-I137 HydrophobicContact CG-CD1 4.34Å; F105-I137 HydrophobicContact CG-CG1 4.23Å; F105-I137 HydrophobicContact CZ-CG2 4.1Å
106K91.4Very high90.6Very high81 Ų8159.6 Ų59.635%0.35229%0.292SS..EExtended strand (participates in β ladder)trans-71.1129.7175.6-171.8-179.9173.3-167.70109.1E91 M108E91-K106 WeakPolarHBondContact OE2-CE 3.36Å; E91-K106 IonicContact OE2-NZ 2.75Å; E91-K106 PolarHBondContact OE2-NZ 3.42Å; K106-M108 HydrophobicContact CD-SD 3.63Å; K106-M108 VanDerWaalsContact CE-SD 3.52Å; K106-M108 HydrophobicContact CG-SD 4.07Å
107V92.1Very high90.4Very high2 Ų260.5 Ų60.51%0.01230%0.297CS..EExtended strand (participates in β ladder)trans-86.7120.6168.8-169.40000107.4F92 I94 F105 Y115 L117 L125 L128F92-V107 HydrophobicContact CB-CB 4Å; F92-V107 HydrophobicContact CB-CG2 4.04Å; F92-V107 PolarHBondContact O-N 2.84Å; I94-V107 HydrophobicContact CD1-CG2 4.05Å; I94-V107 HydrophobicContact CG1-CG2 3.52Å; F105-V107 PolarHBondContact O-N 3.04Å; V107-Y115 HydrophobicContact CG1-CD1 4.01Å; V107-Y115 HydrophobicContact CG1-CG 4.47Å; V107-L117 HydrophobicContact CB-CD1 4.37Å; V107-L117 HydrophobicContact CG1-CD1 4.25Å; V107-L117 HydrophobicContact CG2-CD1 4.05Å; V107-L125 HydrophobicContact CG1-CD2 4.06Å; V107-L128 HydrophobicContact CG1-CD1 4.02Å
108M89.4Confident90.3Very high66 Ų6663.1 Ų63.133%0.32531%0.307SS..EExtended strand (participates in β ladder)trans-92.6155.7171.2-60.1-56.3-50.700109.9E91 K106 Y115 F116E91-M108 VanDerWaalsContact OE2-CE 3.3Å; E91-M108 WeakPolarHBondContact OE2-CE 3.21Å; K106-M108 HydrophobicContact CD-SD 3.63Å; K106-M108 VanDerWaalsContact CE-SD 3.52Å; K106-M108 HydrophobicContact CG-SD 4.07Å; M108-Y115 CarbonylContact O-C 3.57Å; M108-Y115 WeakPolarHBondContact O-CA 3.48Å; M108-F116 HydrophobicContact CB-CD1 4.09Å; M108-F116 HydrophobicContact CB-CD2 4.03Å; M108-F116 HydrophobicContact CB-CE1 3.7Å; M108-F116 HydrophobicContact CB-CE2 3.64Å; M108-F116 HydrophobicContact CB-CG 4.24Å; M108-F116 HydrophobicContact CB-CZ 3.47Å; M108-F116 VanDerWaalsContact CB-CZ 3.47Å; M108-F116 HydrophobicContact CG-CE2 4.17Å; M108-F116 HydrophobicContact CG-CZ 4.33Å; M108-F116 PolarHBondContact N-O 3.47Å; M108-F116 PolarHBondContact O-N 2.65Å
109K87.8Confident90.2Very high100 Ų10067.2 Ų67.244%0.43534%0.336SS..EExtended strand (participates in β ladder)trans-124.9135.2174.2-167.8172.2-179.2170.40110.4G113 H114 Y115K109-G113 WeakPolarHBondContact CE-O 3.45Å; K109-H114 CarbonylContact C-O 3.59Å; K109-H114 VanDerWaalsContact CA-O 3.3Å; K109-H114 WeakPolarHBondContact CA-O 3.26Å; K109-Y115 HydrophobicContact CD-CD1 4.42Å; K109-Y115 HydrophobicContact CD-CE1 3.77Å; K109-Y115 HydrophobicContact CG-CD1 4.39Å; K109-Y115 HydrophobicContact CG-CE1 4.22Å; K109-Y115 PolarHBondContact NZ-OH 3.07Å
110D89.9Confident90.4Very high29 Ų2966.7 Ų66.716%0.15533%0.334CS..  trans-87.8169.9176.984.43.5000112.5K112 G113 H114 F116 K121D110-K112 PolarHBondContact O-N 2.79Å; D110-K112 VanDerWaalsContact O-N 3.13Å; D110-K112 WeakPolarHBondContact OD1-CA 3.49Å; D110-K112 WeakPolarHBondContact OD1-CB 2.99Å; D110-K112 PolarHBondContact OD1-N 2.82Å; D110-G113 WeakPolarHBondContact O-CA 3.48Å; D110-G113 PolarHBondContact O-N 2.91Å; D110-G113 PolarHBondContact OD1-N 2.91Å; D110-G113 VanDerWaalsContact OD1-N 3.08Å; D110-H114 PolarHBondContact N-O 2.89Å; D110-H114 IonicContact OD1-CG 2.7Å; D110-H114 PolarHBondContact OD1-N 2.93Å; D110-H114 IonicContact OD1-ND1 3.26Å; D110-H114 PolarHBondContact OD1-ND1 3.01Å; D110-H114 VanDerWaalsContact OD1-ND1 3.09Å; D110-H114 IonicContact OD2-CG 4Å; D110-H114 IonicContact OD2-ND1 2.85Å; D110-H114 PolarHBondContact OD2-ND1 2.83Å; D110-H114 VanDerWaalsContact OD2-ND1 3.08Å; D110-F116 HydrophobicContact CB-CE1 3.94Å; D110-K121 IonicContact OD2-NZ 2.65Å; D110-K121 PolarHBondContact OD2-NZ 2.82Å
111S87.6Confident90.6Very high133 Ų13364 Ų6493%0.9332%0.322SS*.THydrogen-bonded Turntrans-66.5-9.9-178.854.10000114.7
112K85Confident90.5Very high172 Ų17262.6 Ų62.675%0.74831%0.313SS*.THydrogen-bonded Turntrans-96.6-0.5170.2-62.7-177.9177.7-173.60112.1D110 H114D110-K112 PolarHBondContact O-N 2.79Å; D110-K112 VanDerWaalsContact O-N 3.13Å; D110-K112 WeakPolarHBondContact OD1-CA 3.49Å; D110-K112 WeakPolarHBondContact OD1-CB 2.99Å; D110-K112 PolarHBondContact OD1-N 2.82Å; K112-H114 VanDerWaalsContact CB-CE1 3.46Å; K112-H114 WeakPolarHBondContact CB-CE1 3.31Å
113G83.8Confident90Very high26 Ų2666.2 Ų66.227%0.26834%0.336SS..  trans90.25.417800000115.5K109 D110K109-G113 WeakPolarHBondContact CE-O 3.45Å; D110-G113 WeakPolarHBondContact O-CA 3.48Å; D110-G113 PolarHBondContact O-N 2.91Å; D110-G113 PolarHBondContact OD1-N 2.91Å; D110-G113 VanDerWaalsContact OD1-N 3.08Å
114H87.9Confident89.6Confident55 Ų5566 Ų6626%0.25534%0.338SS..  trans-74.8139.2179.4-50.5110.1000111.7K109 D110 K112 K121 F122K109-H114 CarbonylContact C-O 3.59Å; K109-H114 VanDerWaalsContact CA-O 3.3Å; K109-H114 WeakPolarHBondContact CA-O 3.26Å; D110-H114 PolarHBondContact N-O 2.89Å; D110-H114 IonicContact OD1-CG 2.7Å; D110-H114 PolarHBondContact OD1-N 2.93Å; D110-H114 IonicContact OD1-ND1 3.26Å; D110-H114 PolarHBondContact OD1-ND1 3.01Å; D110-H114 VanDerWaalsContact OD1-ND1 3.09Å; D110-H114 IonicContact OD2-CG 4Å; D110-H114 IonicContact OD2-ND1 2.85Å; D110-H114 PolarHBondContact OD2-ND1 2.83Å; D110-H114 VanDerWaalsContact OD2-ND1 3.08Å; K112-H114 VanDerWaalsContact CB-CE1 3.46Å; K112-H114 WeakPolarHBondContact CB-CE1 3.31Å; H114-K121 HydrophobicContact CB-CB 4.19Å; H114-F122 CarbonylContact C-O 3.58Å; H114-F122 WeakPolarHBondContact CA-O 3.37Å
115Y90.4Very high89.3Confident41 Ų4164.7 Ų64.716%0.16133%0.332CS..EExtended strand (participates in β ladder)trans-90141.5177.1-58.2-84.6000110.7F92 V107 M108 K109 F122 L125F92-Y115 HydrophobicContact CD2-CE1 4.2Å; F92-Y115 HydrophobicContact CE2-CE1 4.18Å; V107-Y115 HydrophobicContact CG1-CD1 4.01Å; V107-Y115 HydrophobicContact CG1-CG 4.47Å; M108-Y115 CarbonylContact O-C 3.57Å; M108-Y115 WeakPolarHBondContact O-CA 3.48Å; K109-Y115 HydrophobicContact CD-CD1 4.42Å; K109-Y115 HydrophobicContact CD-CE1 3.77Å; K109-Y115 HydrophobicContact CG-CD1 4.39Å; K109-Y115 HydrophobicContact CG-CE1 4.22Å; K109-Y115 PolarHBondContact NZ-OH 3.07Å; Y115-F122 PolarHBondContact N-O 2.98Å; Y115-F122 WeakPolarHBondContact O-CD2 3.34Å; Y115-F122 PolarHBondContact O-N 3.41Å; Y115-L125 HydrophobicContact CD1-CD2 3.64Å; Y115-L125 HydrophobicContact CD1-CG 4.23Å; Y115-L125 HydrophobicContact CD2-CD2 4.36Å; Y115-L125 HydrophobicContact CD2-CG 4.4Å; Y115-L125 HydrophobicContact CE1-CD2 4.13Å; Y115-L125 HydrophobicContact CE1-CG 4.3Å; Y115-L125 HydrophobicContact CE2-CG 4.48Å; Y115-L125 HydrophobicContact CG-CD2 3.77Å; Y115-L125 HydrophobicContact CG-CG 4.29Å
116F92.6Very high89.1Confident48 Ų4864.8 Ų64.821%0.21133%0.334CS..EExtended strand (participates in β ladder)trans-155.2157.7177.463.5-79.6000112.6M108 D110 W118 E120 K121M108-F116 HydrophobicContact CB-CD1 4.09Å; M108-F116 HydrophobicContact CB-CD2 4.03Å; M108-F116 HydrophobicContact CB-CE1 3.7Å; M108-F116 HydrophobicContact CB-CE2 3.64Å; M108-F116 HydrophobicContact CB-CG 4.24Å; M108-F116 HydrophobicContact CB-CZ 3.47Å; M108-F116 VanDerWaalsContact CB-CZ 3.47Å; M108-F116 HydrophobicContact CG-CE2 4.17Å; M108-F116 HydrophobicContact CG-CZ 4.33Å; M108-F116 PolarHBondContact N-O 3.47Å; M108-F116 PolarHBondContact O-N 2.65Å; D110-F116 HydrophobicContact CB-CE1 3.94Å; F116-W118 WeakPolarHBondContact CD2-O 3.36Å; F116-E120 WeakPolarHBondContact CB-O 3.48Å; F116-K121 HydrophobicContact CB-CG 4.11Å; F116-K121 HydrophobicContact CG-CG 4.44Å
117L91.4Very high88.9Confident18 Ų1866.6 Ų66.69%0.09434%0.342CS..SBendtrans-113.3-35.2168.6-82.364000111.3I94 F105 V107 L128 Y132 I137I94-L117 HydrophobicContact CD1-CD1 4.2Å; I94-L117 HydrophobicContact CD1-CD2 4.38Å; F105-L117 HydrophobicContact CB-CD2 3.54Å; F105-L117 HydrophobicContact CB-CG 4.23Å; F105-L117 HydrophobicContact CG-CD2 4.17Å; V107-L117 HydrophobicContact CB-CD1 4.37Å; V107-L117 HydrophobicContact CG1-CD1 4.25Å; V107-L117 HydrophobicContact CG2-CD1 4.05Å; L117-L128 HydrophobicContact CD1-CD1 3.83Å; L117-L128 HydrophobicContact CD1-CD2 3.9Å; L117-L128 HydrophobicContact CD1-CG 4.3Å; L117-Y132 HydrophobicContact CD1-CE2 4.36Å; L117-Y132 HydrophobicContact CD2-CE2 4.2Å; L117-I137 HydrophobicContact CD2-CD1 3.63Å; L117-I137 HydrophobicContact CD2-CG1 3.44Å; L117-I137 VanDerWaalsContact CD2-CG1 3.44Å
118W91.6Very high88.9Confident99 Ų9966.5 Ų66.538%0.37534%0.341SS..SBendtrans-132.1-130.4-172.9-54.5122.7000109.4F105 F116 I137 K139F105-W118 HydrophobicContact CD1-CZ2 4.12Å; F105-W118 HydrophobicContact CE1-CZ2 4.23Å; F116-W118 WeakPolarHBondContact CD2-O 3.36Å; W118-I137 PolarHBondContact NE1-O 2.88Å; W118-K139 HydrophobicContact CD2-CD 3.96Å; W118-K139 VanDerWaalsContact CD2-CE 3.44Å; W118-K139 HydrophobicContact CD2-CG 4.3Å; W118-K139 HydrophobicContact CE3-CD 3.91Å; W118-K139 VanDerWaalsContact CE3-NZ 3.35Å; W118-K139 HydrophobicContact CH2-CD 4.2Å; W118-K139 HydrophobicContact CZ2-CD 4.27Å; W118-K139 HydrophobicContact CZ2-CG 4.16Å; W118-K139 HydrophobicContact CZ3-CD 4.03Å
119S90.8Very high89Confident94 Ų9463.4 Ų63.466%0.65733%0.326SS*.SBendtrans-73.3-38.3175.5-48.50000112.6
120E91.9Very high89.2Confident98 Ų9862 Ų6246%0.45832%0.323SS..  trans-75.4134.8-170.8-57-47.9106.100112.9F116 F122 F131F116-E120 WeakPolarHBondContact CB-O 3.48Å; E120-F122 HydrophobicContact CB-CE2 3.72Å; E120-F122 HydrophobicContact CB-CZ 3.58Å; E120-F122 WeakPolarHBondContact O-CE2 3.34Å; E120-F131 HydrophobicContact CB-CZ 4.49Å; E120-F131 HydrophobicContact CG-CE1 4.26Å; E120-F131 HydrophobicContact CG-CZ 3.91Å
121K92.7Very high89.3Confident114 Ų11463.9 Ų63.950%0.49633%0.33SS..EExtended strand (participates in β ladder)trans-119.6136.5-174.1-69.9-172.8171.1-167.90112.2D110 H114 F116D110-K121 IonicContact OD2-NZ 2.65Å; D110-K121 PolarHBondContact OD2-NZ 2.82Å; H114-K121 HydrophobicContact CB-CB 4.19Å; F116-K121 HydrophobicContact CB-CG 4.11Å; F116-K121 HydrophobicContact CG-CG 4.44Å
122F89.8Confident89.6Confident22 Ų2257.7 Ų57.710%0.09629%0.287CS..EExtended strand (participates in β ladder)trans-127.3138.6-171.6-55.1-81.8000112H114 Y115 E120 S124 K127 L128 F131 Y132H114-F122 CarbonylContact C-O 3.58Å; H114-F122 WeakPolarHBondContact CA-O 3.37Å; Y115-F122 PolarHBondContact N-O 2.98Å; Y115-F122 WeakPolarHBondContact O-CD2 3.34Å; Y115-F122 PolarHBondContact O-N 3.41Å; E120-F122 HydrophobicContact CB-CE2 3.72Å; E120-F122 HydrophobicContact CB-CZ 3.58Å; E120-F122 WeakPolarHBondContact O-CE2 3.34Å; F122-S124 PolarHBondContact O-N 3.06Å; F122-K127 HydrophobicContact CB-CB 4.31Å; F122-K127 HydrophobicContact CD1-CB 4.25Å; F122-L128 HydrophobicContact CB-CB 3.81Å; F122-L128 HydrophobicContact CD1-CB 4.44Å; F122-L128 HydrophobicContact CD2-CB 3.67Å; F122-L128 HydrophobicContact CD2-CD1 3.8Å; F122-L128 HydrophobicContact CD2-CG 3.6Å; F122-L128 HydrophobicContact CE2-CB 4.4Å; F122-L128 HydrophobicContact CE2-CG 4.06Å; F122-L128 HydrophobicContact CG-CB 3.69Å; F122-L128 HydrophobicContact CG-CG 4.17Å; F122-F131 HydrophobicContact CD1-CB 4.36Å; F122-F131 HydrophobicContact CE1-CB 3.44Å; F122-F131 VanDerWaalsContact CE1-CB 3.44Å; F122-F131 HydrophobicContact CE1-CD1 4.09Å; F122-F131 AromaticContact CE1-CD2 3.87Å; F122-F131 HydrophobicContact CE1-CD2 3.87Å; F122-F131 AromaticContact CE1-CG 3.53Å; F122-F131 HydrophobicContact CE1-CG 3.53Å; F122-F131 HydrophobicContact CE2-CD1 4.41Å; F122-F131 HydrophobicContact CZ-CB 3.71Å; F122-F131 AromaticContact CZ-CD1 3.48Å; F122-F131 HydrophobicContact CZ-CD1 3.48Å; F122-F131 VanDerWaalsContact CZ-CD1 3.48Å; F122-F131 AromaticContact CZ-CD2 3.98Å; F122-F131 HydrophobicContact CZ-CD2 3.98Å; F122-F131 HydrophobicContact CZ-CE1 4.05Å; F122-F131 HydrophobicContact CZ-CE2 4.48Å; F122-F131 AromaticContact CZ-CG 3.44Å; F122-F131 HydrophobicContact CZ-CG 3.44Å; F122-F131 VanDerWaalsContact CZ-CG 3.44Å; F122-Y132 HydrophobicContact CE2-CE2 4.23Å
123T84.8Confident90Very high88 Ų8852.9 Ų52.954%0.5427%0.265SS..SBendtrans-74.7-5178.867.40000113.7K127T123-K127 WeakPolarHBondContact OG1-CD 3.31Å; T123-K127 PolarHBondContact OG1-NZ 2.84Å
124S85.4Confident90.3Very high29 Ų2958.1 Ų58.120%0.20329%0.288CS..SBendtrans-159.5160.4176.762.10000111F122 N126 K127 L128F122-S124 PolarHBondContact O-N 3.06Å; S124-N126 VanDerWaalsContact C-N 3.28Å; S124-N126 PolarHBondContact O-N 3.33Å; S124-K127 PolarHBondContact OG-N 3.46Å; S124-L128 PolarHBondContact O-N 3.01Å
125L86.8Confident90.6Very high18 Ų1858.2 Ų58.29%0.09429%0.292CS..Hα-helixtrans-63.6-33.3171.3-67.8176.5000112F59 I82 F92 V107 Y115 L128 V129F59-L125 HydrophobicContact CD2-CD1 4.21Å; F59-L125 HydrophobicContact CE2-CD1 3.7Å; I82-L125 HydrophobicContact CD1-CD2 4.38Å; I82-L125 HydrophobicContact CG2-CD1 4.5Å; F92-L125 HydrophobicContact CD2-CD1 4.2Å; F92-L125 HydrophobicContact CE2-CD1 4.31Å; F92-L125 HydrophobicContact CG-CD1 4.49Å; V107-L125 HydrophobicContact CG1-CD2 4.06Å; Y115-L125 HydrophobicContact CD1-CD2 3.64Å; Y115-L125 HydrophobicContact CD1-CG 4.23Å; Y115-L125 HydrophobicContact CD2-CD2 4.36Å; Y115-L125 HydrophobicContact CD2-CG 4.4Å; Y115-L125 HydrophobicContact CE1-CD2 4.13Å; Y115-L125 HydrophobicContact CE1-CG 4.3Å; Y115-L125 HydrophobicContact CE2-CG 4.48Å; Y115-L125 HydrophobicContact CG-CD2 3.77Å; Y115-L125 HydrophobicContact CG-CG 4.29Å; L125-L128 WeakPolarHBondContact O-CB 3.44Å; L125-L128 PolarHBondContact O-N 3.02Å; L125-V129 WeakPolarHBondContact O-CB 3.33Å; L125-V129 WeakPolarHBondContact O-CG2 3.46Å; L125-V129 PolarHBondContact O-N 2.9Å
126N87.3Confident90.7Very high28 Ų2857.3 Ų57.315%0.1529%0.292CS..Hα-helixtrans-58.6-55.4176.1-51.962000110.6E2 S124 L128 V129 D130E2-N126 PolarHBondContact OE2-ND2 2.9Å; S124-N126 VanDerWaalsContact C-N 3.28Å; S124-N126 PolarHBondContact O-N 3.33Å; N126-L128 VanDerWaalsContact C-N 3.25Å; N126-L128 PolarHBondContact O-N 3.19Å; N126-V129 WeakPolarHBondContact O-CA 3.49Å; N126-V129 WeakPolarHBondContact O-CB 3.32Å; N126-V129 PolarHBondContact O-N 2.81Å; N126-D130 VanDerWaalsContact O-CG 3.29Å; N126-D130 PolarHBondContact O-N 3.21Å
127K88.8Confident90.7Very high119 Ų11955 Ų5552%0.51728%0.282SS..Hα-helixtrans-59-35.1177.2-75.6-175.9-178.3176.90113.4F122 T123 S124 F131F122-K127 HydrophobicContact CB-CB 4.31Å; F122-K127 HydrophobicContact CD1-CB 4.25Å; T123-K127 WeakPolarHBondContact OG1-CD 3.31Å; T123-K127 PolarHBondContact OG1-NZ 2.84Å; S124-K127 PolarHBondContact OG-N 3.46Å; K127-F131 WeakPolarHBondContact O-CB 3.37Å; K127-F131 PolarHBondContact O-N 3Å
128L92.1Very high90.8Very high0 Ų055 Ų550%028%0.283CS..Hα-helixtrans-65.7-46.2175.5-174.1157.5000110.8I94 V107 L117 F122 S124 L125 N126 Y132I94-L128 HydrophobicContact CD1-CD2 3.42Å; I94-L128 VanDerWaalsContact CD1-CD2 3.42Å; V107-L128 HydrophobicContact CG1-CD1 4.02Å; L117-L128 HydrophobicContact CD1-CD1 3.83Å; L117-L128 HydrophobicContact CD1-CD2 3.9Å; L117-L128 HydrophobicContact CD1-CG 4.3Å; F122-L128 HydrophobicContact CB-CB 3.81Å; F122-L128 HydrophobicContact CD1-CB 4.44Å; F122-L128 HydrophobicContact CD2-CB 3.67Å; F122-L128 HydrophobicContact CD2-CD1 3.8Å; F122-L128 HydrophobicContact CD2-CG 3.6Å; F122-L128 HydrophobicContact CE2-CB 4.4Å; F122-L128 HydrophobicContact CE2-CG 4.06Å; F122-L128 HydrophobicContact CG-CB 3.69Å; F122-L128 HydrophobicContact CG-CG 4.17Å; S124-L128 PolarHBondContact O-N 3.01Å; L125-L128 WeakPolarHBondContact O-CB 3.44Å; L125-L128 PolarHBondContact O-N 3.02Å; N126-L128 VanDerWaalsContact C-N 3.25Å; N126-L128 PolarHBondContact O-N 3.19Å; L128-Y132 HydrophobicContact CD2-CD2 3.83Å; L128-Y132 HydrophobicContact CD2-CE2 3.99Å; L128-Y132 HydrophobicContact CG-CD2 4.25Å; L128-Y132 HydrophobicContact CG-CE2 4.09Å; L128-Y132 WeakPolarHBondContact O-CD2 3.37Å; L128-Y132 PolarHBondContact O-N 3.33Å
129V91.6Very high90.6Very high0 Ų056.9 Ų56.90%029%0.294CS..Hα-helixtrans-60.5-49.4175.3161.50000110.7W58 F80 I82 L125 N126 F131 Y132 K133 L145W58-V129 HydrophobicContact CD2-CG2 4.42Å; W58-V129 HydrophobicContact CE3-CG2 4.21Å; W58-V129 HydrophobicContact CH2-CB 4.38Å; W58-V129 HydrophobicContact CH2-CG2 3.85Å; W58-V129 HydrophobicContact CZ2-CB 4.2Å; W58-V129 HydrophobicContact CZ2-CG1 4.11Å; W58-V129 HydrophobicContact CZ2-CG2 4.03Å; W58-V129 HydrophobicContact CZ3-CG2 3.94Å; F80-V129 HydrophobicContact CE1-CG1 4.45Å; F80-V129 HydrophobicContact CE2-CB 4.5Å; F80-V129 HydrophobicContact CE2-CG1 3.83Å; F80-V129 HydrophobicContact CE2-CG2 3.82Å; F80-V129 HydrophobicContact CZ-CG1 3.47Å; F80-V129 VanDerWaalsContact CZ-CG1 3.47Å; F80-V129 HydrophobicContact CZ-CG2 4.33Å; I82-V129 HydrophobicContact CD1-CG2 3.6Å; I82-V129 HydrophobicContact CG1-CG2 4.4Å; L125-V129 WeakPolarHBondContact O-CB 3.33Å; L125-V129 WeakPolarHBondContact O-CG2 3.46Å; L125-V129 PolarHBondContact O-N 2.9Å; N126-V129 WeakPolarHBondContact O-CA 3.49Å; N126-V129 WeakPolarHBondContact O-CB 3.32Å; N126-V129 PolarHBondContact O-N 2.81Å; V129-F131 VanDerWaalsContact C-N 3.35Å; V129-F131 PolarHBondContact O-N 3.14Å; V129-Y132 CarbonylContact O-C 3.58Å; V129-Y132 PolarHBondContact O-N 2.87Å; V129-Y132 VanDerWaalsContact O-N 3.11Å; V129-K133 PolarHBondContact O-N 2.95Å; V129-L145 HydrophobicContact CB-CD1 4.4Å; V129-L145 HydrophobicContact CG1-CD1 4.35Å; V129-L145 HydrophobicContact CG2-CD1 4.27Å
130D90.3Very high90.4Very high72 Ų7261 Ų6139%0.38530%0.302SS..Hα-helixtrans-62.6-40.7-177.7-62.7-41.4000112.1N126 Y132 K133N126-D130 VanDerWaalsContact O-CG 3.29Å; N126-D130 PolarHBondContact O-N 3.21Å; D130-Y132 VanDerWaalsContact C-N 3.32Å; D130-Y132 PolarHBondContact O-N 2.75Å; D130-K133 WeakPolarHBondContact O-CB 3.4Å; D130-K133 PolarHBondContact O-N 2.99Å; D130-K133 VanDerWaalsContact O-N 3.14Å; D130-K133 WeakPolarHBondContact OD1-CE 3.4Å; D130-K133 IonicContact OD1-NZ 2.69Å; D130-K133 PolarHBondContact OD1-NZ 2.95Å
131F93.3Very high90.2Very high67 Ų6762.3 Ų62.329%0.29430%0.303SS..Hα-helixtrans-57.8-43.3172.7178.1-92000112.6E120 F122 K127 V129 K133 N134 T135E120-F131 HydrophobicContact CB-CZ 4.49Å; E120-F131 HydrophobicContact CG-CE1 4.26Å; E120-F131 HydrophobicContact CG-CZ 3.91Å; F122-F131 HydrophobicContact CD1-CB 4.36Å; F122-F131 HydrophobicContact CE1-CB 3.44Å; F122-F131 VanDerWaalsContact CE1-CB 3.44Å; F122-F131 HydrophobicContact CE1-CD1 4.09Å; F122-F131 AromaticContact CE1-CD2 3.87Å; F122-F131 HydrophobicContact CE1-CD2 3.87Å; F122-F131 AromaticContact CE1-CG 3.53Å; F122-F131 HydrophobicContact CE1-CG 3.53Å; F122-F131 HydrophobicContact CE2-CD1 4.41Å; F122-F131 HydrophobicContact CZ-CB 3.71Å; F122-F131 AromaticContact CZ-CD1 3.48Å; F122-F131 HydrophobicContact CZ-CD1 3.48Å; F122-F131 VanDerWaalsContact CZ-CD1 3.48Å; F122-F131 AromaticContact CZ-CD2 3.98Å; F122-F131 HydrophobicContact CZ-CD2 3.98Å; F122-F131 HydrophobicContact CZ-CE1 4.05Å; F122-F131 HydrophobicContact CZ-CE2 4.48Å; F122-F131 AromaticContact CZ-CG 3.44Å; F122-F131 HydrophobicContact CZ-CG 3.44Å; F122-F131 VanDerWaalsContact CZ-CG 3.44Å; K127-F131 WeakPolarHBondContact O-CB 3.37Å; K127-F131 PolarHBondContact O-N 3Å; V129-F131 VanDerWaalsContact C-N 3.35Å; V129-F131 PolarHBondContact O-N 3.14Å; F131-K133 VanDerWaalsContact C-N 3.32Å; F131-K133 PolarHBondContact O-N 2.96Å; F131-N134 PolarHBondContact O-N 2.6Å; F131-T135 HydrophobicContact CE1-CG2 3.66Å; F131-T135 HydrophobicContact CZ-CG2 3.81Å; F131-T135 VanDerWaalsContact O-CB 3.27Å; F131-T135 WeakPolarHBondContact O-CB 3.48Å; F131-T135 PolarHBondContact O-N 2.71Å; F131-T135 PolarHBondContact O-OG1 2.92Å; F131-T135 VanDerWaalsContact O-OG1 3.08Å
132Y94.6Very high90.1Very high4 Ų463 Ų632%0.01631%0.312CS..Hα-helixtrans-83.61.4178.4-66.2-61.7000114.5L117 F122 L128 V129 D130 T135 I137 L145L117-Y132 HydrophobicContact CD1-CE2 4.36Å; L117-Y132 HydrophobicContact CD2-CE2 4.2Å; F122-Y132 HydrophobicContact CE2-CE2 4.23Å; L128-Y132 HydrophobicContact CD2-CD2 3.83Å; L128-Y132 HydrophobicContact CD2-CE2 3.99Å; L128-Y132 HydrophobicContact CG-CD2 4.25Å; L128-Y132 HydrophobicContact CG-CE2 4.09Å; L128-Y132 WeakPolarHBondContact O-CD2 3.37Å; L128-Y132 PolarHBondContact O-N 3.33Å; V129-Y132 CarbonylContact O-C 3.58Å; V129-Y132 PolarHBondContact O-N 2.87Å; V129-Y132 VanDerWaalsContact O-N 3.11Å; D130-Y132 VanDerWaalsContact C-N 3.32Å; D130-Y132 PolarHBondContact O-N 2.75Å; Y132-T135 CarbonylContact C-O 3.58Å; Y132-T135 VanDerWaalsContact CA-O 3.32Å; Y132-T135 WeakPolarHBondContact CA-O 3.38Å; Y132-I137 HydrophobicContact CD1-CB 3.9Å; Y132-I137 HydrophobicContact CD1-CG1 4.08Å; Y132-I137 HydrophobicContact CD2-CD1 4.37Å; Y132-I137 HydrophobicContact CD2-CG1 4.22Å; Y132-I137 HydrophobicContact CE1-CB 4.46Å; Y132-I137 HydrophobicContact CE1-CG1 4.38Å; Y132-I137 HydrophobicContact CG-CB 4.08Å; Y132-I137 HydrophobicContact CG-CD1 4.37Å; Y132-I137 HydrophobicContact CG-CG1 4.02Å; Y132-L145 PolarHBondContact O-N 2.73Å
133K92.4Very high90.2Very high70 Ų7062.2 Ų62.230%0.30431%0.309SS..Hα-helixtrans-71.1-34.7161.1-67.9174.6-1791610110.9V129 D130 F131 L145V129-K133 PolarHBondContact O-N 2.95Å; D130-K133 WeakPolarHBondContact O-CB 3.4Å; D130-K133 PolarHBondContact O-N 2.99Å; D130-K133 VanDerWaalsContact O-N 3.14Å; D130-K133 WeakPolarHBondContact OD1-CE 3.4Å; D130-K133 IonicContact OD1-NZ 2.69Å; D130-K133 PolarHBondContact OD1-NZ 2.95Å; F131-K133 VanDerWaalsContact C-N 3.32Å; F131-K133 PolarHBondContact O-N 2.96Å; K133-L145 WeakPolarHBondContact CA-O 3.43Å; K133-L145 HydrophobicContact CG-CB 4.32Å; K133-L145 WeakPolarHBondContact CG-O 3.36Å
134N90.9Very high90.6Very high137 Ų13762.6 Ų62.673%0.73330%0.301SS*.Hα-helixtrans-106.8-15.2-176.8-64.297.6000114.3F131F131-N134 PolarHBondContact O-N 2.6Å
135T92.8Very high91Very high56 Ų5661.4 Ų61.434%0.34429%0.293SS..SBendtrans-118.6144178.9-48.40000110.2F131 Y132 I137F131-T135 HydrophobicContact CE1-CG2 3.66Å; F131-T135 HydrophobicContact CZ-CG2 3.81Å; F131-T135 VanDerWaalsContact O-CB 3.27Å; F131-T135 WeakPolarHBondContact O-CB 3.48Å; F131-T135 PolarHBondContact O-N 2.71Å; F131-T135 PolarHBondContact O-OG1 2.92Å; F131-T135 VanDerWaalsContact O-OG1 3.08Å; Y132-T135 CarbonylContact C-O 3.58Å; Y132-T135 VanDerWaalsContact CA-O 3.32Å; Y132-T135 WeakPolarHBondContact CA-O 3.38Å; T135-I137 PolarHBondContact O-N 2.84Å
136S93.3Very high91.2Very high23 Ų2366.5 Ų66.516%0.16131%0.311CS..  trans-63.3132.1175.6-1760000111.4S138 R141 I143S136-S138 VanDerWaalsContact C-N 3.29Å; S136-S138 PolarHBondContact OG-N 3.35Å; S136-S138 PolarHBondContact OG-O 2.85Å; S136-S138 VanDerWaalsContact OG-O 3.04Å; S136-R141 PolarHBondContact OG-O 3.09Å; S136-I143 CarbonylContact C-O 3.46Å; S136-I143 WeakPolarHBondContact CA-O 3.43Å; S136-I143 PolarHBondContact OG-N 2.93Å
137I93.4Very high90.8Very high0 Ų067.8 Ų67.80%032%0.318CS..SBendtrans-75.9-18.2173.3-161.4168.5000112.4I94 V96 F105 L117 W118 Y132 T135 I143 L145I94-I137 HydrophobicContact CB-CD1 4.26Å; I94-I137 HydrophobicContact CD1-CD1 4.05Å; I94-I137 HydrophobicContact CG2-CD1 4.03Å; V96-I137 HydrophobicContact CG1-CG2 4.34Å; F105-I137 HydrophobicContact CD2-CD1 4.02Å; F105-I137 HydrophobicContact CD2-CG1 4.15Å; F105-I137 HydrophobicContact CD2-CG2 4.19Å; F105-I137 HydrophobicContact CE2-CG2 3.76Å; F105-I137 HydrophobicContact CG-CD1 4.34Å; F105-I137 HydrophobicContact CG-CG1 4.23Å; F105-I137 HydrophobicContact CZ-CG2 4.1Å; L117-I137 HydrophobicContact CD2-CD1 3.63Å; L117-I137 HydrophobicContact CD2-CG1 3.44Å; L117-I137 VanDerWaalsContact CD2-CG1 3.44Å; W118-I137 PolarHBondContact NE1-O 2.88Å; Y132-I137 HydrophobicContact CD1-CB 3.9Å; Y132-I137 HydrophobicContact CD1-CG1 4.08Å; Y132-I137 HydrophobicContact CD2-CD1 4.37Å; Y132-I137 HydrophobicContact CD2-CG1 4.22Å; Y132-I137 HydrophobicContact CE1-CB 4.46Å; Y132-I137 HydrophobicContact CE1-CG1 4.38Å; Y132-I137 HydrophobicContact CG-CB 4.08Å; Y132-I137 HydrophobicContact CG-CD1 4.37Å; Y132-I137 HydrophobicContact CG-CG1 4.02Å; T135-I137 PolarHBondContact O-N 2.84Å; I137-I143 HydrophobicContact CG2-CB 3.94Å; I137-I143 HydrophobicContact CG2-CG2 3.85Å; I137-I143 WeakPolarHBondContact CG2-O 3.48Å; I137-I143 PolarHBondContact N-O 3.08Å; I137-L145 HydrophobicContact CD1-CD1 4.39Å; I137-L145 HydrophobicContact CD1-CD2 3.92Å; I137-L145 HydrophobicContact CD1-CG 4.41Å
138S91.5Very high89.6Confident16 Ų1664.9 Ų64.911%0.11232%0.321CS..  trans-108143.5-180-177.70000112.3S136 Q140 R141S136-S138 VanDerWaalsContact C-N 3.29Å; S136-S138 PolarHBondContact OG-N 3.35Å; S136-S138 PolarHBondContact OG-O 2.85Å; S136-S138 VanDerWaalsContact OG-O 3.04Å; S138-Q140 VanDerWaalsContact C-N 3.32Å; S138-Q140 PolarHBondContact OG-N 2.74Å; S138-R141 WeakPolarHBondContact CB-O 3.46Å
139K88.5Confident87.6Confident140 Ų14069 Ų6961%0.60935%0.35SS*.SBendtrans-84.9-2.4174.5-70.3179171.5174.30113.9W118W118-K139 HydrophobicContact CD2-CD 3.96Å; W118-K139 VanDerWaalsContact CD2-CE 3.44Å; W118-K139 HydrophobicContact CD2-CG 4.3Å; W118-K139 HydrophobicContact CE3-CD 3.91Å; W118-K139 VanDerWaalsContact CE3-NZ 3.35Å; W118-K139 HydrophobicContact CH2-CD 4.2Å; W118-K139 HydrophobicContact CZ2-CD 4.27Å; W118-K139 HydrophobicContact CZ2-CG 4.16Å; W118-K139 HydrophobicContact CZ3-CD 4.03Å
140Q86.6Confident85.4Confident180 Ų18079.7 Ų79.784%0.84139%0.39SS*.SBendtrans-121.9-17-173-68.2-178.6-23.600114S138S138-Q140 VanDerWaalsContact C-N 3.32Å; S138-Q140 PolarHBondContact OG-N 2.74Å
141R86.7Confident83.1Confident125 Ų12582.8 Ų82.847%0.47241%0.407SS..SBendtrans-150.6157.1-178.5-63.9-172.6-176.6154.5-0.3108.9H98 S136 S138 I143H98-R141 PolarHBondContact CE1-NH1 3.47Å; H98-R141 PolarHBondContact ND1-NH1 3.08Å; H98-R141 VanDerWaalsContact NE2-CD 3.31Å; H98-R141 WeakPolarHBondContact NE2-CD 3.46Å; S136-R141 PolarHBondContact OG-O 3.09Å; S138-R141 WeakPolarHBondContact CB-O 3.46Å; R141-I143 HydrophobicContact CB-CD1 4.19Å; R141-I143 HydrophobicContact CB-CG1 4.03Å; R141-I143 PolarHBondContact O-N 2.96Å
142D90.6Very high80.6Confident129 Ų12984.5 Ų84.569%0.6942%0.419SS*.  trans-83.8106.4175.3-64.2-48.3000110.3Y144D142-Y144 HydrophobicContact CB-CE2 3.99Å
143I92.8Very high77.9Confident5 Ų593.4 Ų93.43%0.02646%0.461CS..  trans-134111.5-174.7-50.9-174.6000108.5V96 H98 S136 I137 R141V96-I143 HydrophobicContact CG1-CG2 4.03Å; V96-I143 HydrophobicContact CG2-CG2 3.96Å; H98-I143 HydrophobicContact CB-CD1 4.32Å; H98-I143 WeakPolarHBondContact CD2-CD1 3.46Å; S136-I143 CarbonylContact C-O 3.46Å; S136-I143 WeakPolarHBondContact CA-O 3.43Å; S136-I143 PolarHBondContact OG-N 2.93Å; I137-I143 HydrophobicContact CG2-CB 3.94Å; I137-I143 HydrophobicContact CG2-CG2 3.85Å; I137-I143 WeakPolarHBondContact CG2-O 3.48Å; I137-I143 PolarHBondContact N-O 3.08Å; R141-I143 HydrophobicContact CB-CD1 4.19Å; R141-I143 HydrophobicContact CB-CG1 4.03Å; R141-I143 PolarHBondContact O-N 2.96Å
144Y93.9Very high75.1Confident97 Ų9794 Ų9438%0.3847%0.473SS..  trans-109.9142.5-177.7-55.9-87.6000110.5G78 D142G78-Y144 WeakPolarHBondContact CA-O 3.4Å; D142-Y144 HydrophobicContact CB-CE2 3.99Å
145L93.9Very high72.6Confident4 Ų493.4 Ų93.42%0.02148%0.477CS..  trans-74.2129.7175.6-58.6-172.2000110.4F80 I94 V96 V129 Y132 K133 I137F80-L145 HydrophobicContact CB-CD2 3.76Å; F80-L145 HydrophobicContact CD1-CB 3.7Å; F80-L145 HydrophobicContact CD1-CD2 4.22Å; F80-L145 HydrophobicContact CD1-CG 4.39Å; F80-L145 HydrophobicContact CD2-CD1 4.09Å; F80-L145 HydrophobicContact CD2-CD2 4.19Å; F80-L145 HydrophobicContact CE1-CB 3.84Å; F80-L145 HydrophobicContact CE2-CD1 4.15Å; F80-L145 HydrophobicContact CG-CB 4.11Å; F80-L145 HydrophobicContact CG-CD1 4.36Å; F80-L145 HydrophobicContact CG-CD2 3.79Å; F80-L145 HydrophobicContact CG-CG 4.3Å; F80-L145 HydrophobicContact CZ-CB 4.36Å; F80-L145 HydrophobicContact CZ-CD1 4.47Å; I94-L145 HydrophobicContact CG2-CD2 4.23Å; V96-L145 HydrophobicContact CB-CD2 4.17Å; V96-L145 HydrophobicContact CG2-CD2 3.97Å; V129-L145 HydrophobicContact CB-CD1 4.4Å; V129-L145 HydrophobicContact CG1-CD1 4.35Å; V129-L145 HydrophobicContact CG2-CD1 4.27Å; Y132-L145 PolarHBondContact O-N 2.73Å; K133-L145 WeakPolarHBondContact CA-O 3.43Å; K133-L145 HydrophobicContact CG-CB 4.32Å; K133-L145 WeakPolarHBondContact CG-O 3.36Å; I137-L145 HydrophobicContact CD1-CD1 4.39Å; I137-L145 HydrophobicContact CD1-CD2 3.92Å; I137-L145 HydrophobicContact CD1-CG 4.41Å
146R90.8Very high69.7Low125 Ų12596.4 Ų96.447%0.47250%0.5SS..BIsolated β-bridgetrans-123.4123.3176.3-62.5-169.8179.7-140.9-5.9110.4V77 G78 F80 D152V77-R146 WeakPolarHBondContact O-CD 3.17Å; G78-R146 PolarHBondContact O-N 3.22Å; F80-R146 VanDerWaalsContact CD1-O 3.28Å; F80-R146 WeakPolarHBondContact CD1-O 3.26Å; R146-D152 IonicContact NH1-OD2 3.09Å
147D78.1Confident67.2Low55 Ų5599.4 Ų99.429%0.29453%0.527SS..  trans-67.7-38.2-174.6-151.4-82.7000111.9W58 R75W58-D147 VanDerWaalsContact CD1-OD2 3.23Å; W58-D147 PolarHBondContact NE1-OD2 3.01Å; R75-D147 PolarHBondContact NH2-O 3.09Å
148G63.8Low64.6Low57 Ų57105.4 Ų105.459%0.58857%0.566SS**SBendtrans109.1-8.3-174.800000113.7
149S50.7Low62Low87 Ų87113.1 Ų113.161%0.60860%0.6SS**  trans-64.5134.4162.4-161.20000109.9D151S149-D151 VanDerWaalsContact C-N 3.28Å; S149-D151 PolarHBondContact O-N 2.86Å; S149-D151 VanDerWaalsContact O-N 3.12Å; S149-D151 PolarHBondContact OG-OD2 3.13Å
150R44.6Very low59.7Low225 Ų225112.4 Ų112.485%0.84961%0.609SS**  trans-86.366.7177.6-79.4-177.4161-169.2-4.5111.3
151D42.2Very low57.3Low137 Ų137112.2 Ų112.273%0.73361%0.614SS**  trans-115.759.8170.4-68-79.7000109.8S149 Q153S149-D151 VanDerWaalsContact C-N 3.28Å; S149-D151 PolarHBondContact O-N 2.86Å; S149-D151 VanDerWaalsContact O-N 3.12Å; S149-D151 PolarHBondContact OG-OD2 3.13Å; D151-Q153 PolarHBondContact O-N 3.37Å; D151-Q153 VanDerWaalsContact O-N 3.09Å
152D39.8Very low55Low103 Ų103116.4 Ų116.455%0.55164%0.635SS**  trans-79.787175.9-162.4-70.2000109.9R146 S154R146-D152 IonicContact NH1-OD2 3.09Å; D152-S154 WeakPolarHBondContact OD1-CB 3.21Å; D152-S154 PolarHBondContact OD1-N 3Å; D152-S154 VanDerWaalsContact OD1-N 3.09Å; D152-S154 PolarHBondContact OD1-OG 2.89Å
153Q37.9Very low52.1Low191 Ų191122.3 Ų122.389%0.89365%0.648SS**  trans-93.680.2147.8-77.3-165.119.500108.5D151 P155D151-Q153 PolarHBondContact O-N 3.37Å; D151-Q153 VanDerWaalsContact O-N 3.09Å; Q153-P155 WeakPolarHBondContact O-CD 3.38Å
154S33.5Very low49.2Very low81 Ų81125.7 Ų125.757%0.56668%0.684SS**  trans-61.2120.9169.328.10000110.6D152 S156D152-S154 WeakPolarHBondContact OD1-CB 3.21Å; D152-S154 PolarHBondContact OD1-N 3Å; D152-S154 VanDerWaalsContact OD1-N 3.09Å; D152-S154 PolarHBondContact OD1-OG 2.89Å; S154-S156 PolarHBondContact O-N 2.98Å
155P39.8Very low46.3Very low126 Ų126126.4 Ų126.482%0.81870%0.703SS**  trans-69.7117.416928.3-32000108.8Q153 A157Q153-P155 WeakPolarHBondContact O-CD 3.38Å; P155-A157 PolarHBondContact O-N 2.85Å; P155-A157 VanDerWaalsContact O-N 3.14Å
156S32.2Very low43.5Very low118 Ų118134.4 Ų134.483%0.82575%0.745SS**  trans-57114.5-173.4-53.40000112.9S154S154-S156 PolarHBondContact O-N 2.98Å
157A40.3Very low41.2Very low87 Ų87133 Ų13372%0.71975%0.752SS**PPolyproline II helixtrans-66.2129.1170.600000110.4P155 Q159P155-A157 PolarHBondContact O-N 2.85Å; P155-A157 VanDerWaalsContact O-N 3.14Å; A157-Q159 PolarHBondContact O-N 3.05Å
158P38.1Very low39Very low125 Ų125138.7 Ų138.781%0.81278%0.777SS**PPolyproline II helixtrans-71.1118.5-178.627.6-33.6000111
159Q38.3Very low37.4Very low179 Ų179144 Ų14484%0.83679%0.786SS**PPolyproline II helixtrans-73.7136177.4-66.8-170.63.500111.8A157 L161A157-Q159 PolarHBondContact O-N 3.05Å; Q159-L161 PolarHBondContact O-N 3.39Å
160P38.3Very low36.4Very low124 Ų124149.8 Ų149.881%0.80580%0.795SS**  trans-73.9109.6171.529.6-32.7000110.5K162P160-K162 PolarHBondContact O-N 3.32Å
161L37.3Very low35.7Very low177 Ų177142.6 Ų142.693%0.92778%0.779SS**  trans-60.1115.4175.2-74.2164.8000111.3Q159Q159-L161 PolarHBondContact O-N 3.39Å
162K37.9Very low35.1Very low212 Ų212146.8 Ų146.892%0.92279%0.786SS**  trans-117.3120.9160.9-80.2-170.5172.6-176.40110.3P160P160-K162 PolarHBondContact O-N 3.32Å
163R30.5Very low34.6Very low253 Ų253145.9 Ų145.996%0.95580%0.801SS**  trans-135130.1174170.6-178.2-76.4-132.6-0.7107.7
164G30.6Very low34.3Very low76 Ų76141.3 Ų141.378%0.78480%0.796SS**  trans139113.8177.900000111.1
165S34.7Very low35Very low113 Ų113143.3 Ų143.379%0.7981%0.807SS**  trans-124.4156.2179.6-46.40000109.3
166L34.3Very low34.6Very low171 Ų171143.2 Ų143.290%0.89580%0.804SS**  trans157.4162145.9-82.9163.6000110.1
167P41.4Very low34.6Very low96 Ų96142 Ų14262%0.62380%0.801SS**  trans-128.6-173.8-133.746.6-35.1000116.7
168E32.9Very low34.1Very low175 Ų175142.1 Ų142.182%0.81880%0.802SS**  trans64124.2158.4-75.5-176.98900120.6
169E29.6Very low33.8Very low168 Ų168142.7 Ų142.779%0.78580%0.804SS**  -157.8165.3113.3-112.8-73.65300111.2
170R30.3Very low33.6Very low209 Ų209138.8 Ų138.879%0.78980%0.796SS**  trans-79.8166179.2-57.3162.3150-160.4-5.1110.7
171S29.2Very low33.5Very low74 Ų74141.7 Ų141.752%0.51780%0.799SS.*  cis173.3172.743-153.40000112
172Y30Very low33.3Very low225 Ų225144.5 Ų144.588%0.88280%0.797SS**  trans52.9131.3155.4-51.2-53.2000122
173G29.3Very low32.8Very low84 Ų84146.3 Ų146.387%0.86680%0.798SS**  trans154.489.5156.400000118.4
174A31.2Very low32.7Very low95 Ų95138.2 Ų138.279%0.78579%0.785SS**  trans-151.7162.6162.100000107.7
175P49.5Very low33Very low122 Ų122139.6 Ų139.679%0.79278%0.783SS**  cis-110.8-148.815.621.34.5000111.9
176T31.4Very low33.1Very low124 Ų124141.6 Ų141.676%0.76179%0.785SS**  cis-153166.42452.20000116.2
177A31Very low33.1Very low92 Ų92140.6 Ų140.676%0.7678%0.779SS**  trans-15.9156.6149.600000120
178A30Very low33.1Very low90 Ų90142.2 Ų142.274%0.74479%0.79SS**  cis-153.7-133.1-15.400000110
179T31.9Very low33Very low137 Ų137142.2 Ų142.284%0.8479%0.79SS**  cis-157.5167.913-41.20000110.4
180S33.8Very low33.1Very low97 Ų97139 Ų13968%0.67879%0.786SS**  trans-101.8148.8-167.9-24.10000117.1
181H37.1Very low33.2Very low185 Ų185137.6 Ų137.686%0.85679%0.788SS**  trans-148.3133.5145.3-69.3-74.7000107.2
182R32.2Very low33.3Very low236 Ų236142.5 Ų142.589%0.89180%0.803SS**  62.8134.353.6-62.7-169.2178.9-160.21.1112.1
183R29.2Very low33.3Very low251 Ų251135.9 Ų135.995%0.94779%0.79SS**  cis-150.4-179.913.6-165.7175.1178174.1-1.9110.7
184A27.7Very low33.4Very low82 Ų82141.7 Ų141.768%0.67879%0.791SS**  trans-104.4-178.9-178.600000114.8
185S36.3Very low33.4Very low106 Ų106148.7 Ų148.774%0.74180%0.797SS**  trans77.8141.8175.5-52.60000115.1
186D36Very low33.1Very low155 Ų155149 Ų14983%0.82980%0.799SS**  -158.6173.852.4-110.4-63.8000115.6
187L35.8Very low32.9Very low150 Ų150146.7 Ų146.779%0.78580%0.799SS**  trans-103.2161.8161.9-87.484000110.4
188P40.8Very low33Very low130 Ų130150.4 Ų150.484%0.84480%0.803SS**  -137.9168.9114.732.4-18.3000114.9
189H30.2Very low33.1Very low175 Ų175153.4 Ų153.481%0.8180%0.802SS**  trans-105.6-176.1-179.5-161.480.8000111
190S32.3Very low33.2Very low101 Ų101153 Ų15371%0.70680%0.799SS**  trans98.6138.4172.9-430000114.8
191Q33.3Very low33.1Very low178 Ų178160.2 Ų160.283%0.83281%0.811SS**  cis-140.5148.31.6-68.1-171.2-32.200113.3
192Q29.3Very low32.8Very low178 Ų178154.6 Ų154.683%0.83280%0.796SS**  19.9133.2128.1-117.4169.750.900119.1
193S31.2Very low32.8Very low86 Ų86151.3 Ų151.360%0.60179%0.791SS**  -177.6151.466.2-78.30000116.5
194K31.8Very low32.9Very low205 Ų205144.8 Ų144.889%0.89178%0.779SS**  trans59.2120.1143.3-67176.1-177.8178.30123.2
195R30.3Very low33.2Very low242 Ų242149.1 Ų149.191%0.91379%0.789SS**  trans-86.5-174.6139.3-62.9173.8132.7-163.5-2.5109.1
196P43.4Very low32.7Very low130 Ų130147.3 Ų147.384%0.84479%0.788SS**  cis-132.3-165-6.842.9-25.2000113.9
197G27.5Very low32.7Very low74 Ų74146.6 Ų146.676%0.76379%0.789SS**  trans122.7117.1168.300000112.3
198M32.7Very low33.3Very low170 Ų170145.5 Ų145.584%0.83779%0.791SS**  cis104.792.421.2-163.8169.4-177.900114.3
199E33.2Very low32.7Very low154 Ų154142.7 Ų142.772%0.7279%0.786SS**  trans69.3158.6141.1-107.7-178.4102.700124.8
200V33.3Very low32.8Very low127 Ų127145.1 Ų145.177%0.7779%0.788SS**  trans43.4122.9162.6-62.40000122.1
201R30.8Very low32.9Very low250 Ų250145.4 Ų145.494%0.94378%0.781SS**  trans-148.9129130.1-161.7164.7-176.1141.4-0.1111.3
202A32Very low33.2Very low66 Ų66142.2 Ų142.255%0.54577%0.774SS.*  trans-109-166.4174.700000110.9
203H32.5Very low34.1Very low167 Ų167138.8 Ų138.877%0.77377%0.767SS**  trans82.5143.2168.2-44.5-59.1000115.8
204T29.8Very low34Very low115 Ų115142 Ų14271%0.70678%0.777SS**  cis-169177.7-11.525.40000109.7
205I34Very low34.1Very low172 Ų172138.1 Ų138.188%0.88277%0.77SS**  trans76136.2163-38.3-174.8000114.9
206G26.6Very low34.5Very low69 Ų69131.6 Ų131.671%0.71176%0.762SS**  cis-177.7172.3-5.200000114.2
207T35.4Very low34.3Very low140 Ų140133.4 Ų133.486%0.85976%0.764SS**  trans-81.1-178.7-177.33.40000112.9
208P48.2Very low34.7Very low127 Ų127135.4 Ų135.483%0.82576%0.763SS**  cis-153.1171.939.843.8-21.7000121.3
209G28.5Very low34.8Very low71 Ų71131.7 Ų131.773%0.73276%0.759SS**  trans90.2139.6157.700000115.8
210R33.3Very low34.9Very low226 Ų226130.3 Ų130.385%0.85376%0.764SS**  cis-146-175.8-0.8-64.9-173.560.3139.7-0.4107.7
211N33.2Very low35Very low107 Ų107133.6 Ų133.657%0.57277%0.771SS**  cis-146.8-127.811.6-162.556.4000112.6
212T39.6Very low35Very low111 Ų111132.7 Ų132.768%0.68177%0.767SS**  trans-157.8175.1-16457.70000109.8
213P49.1Very low35Very low105 Ų105134.3 Ų134.368%0.68277%0.77SS**  -133.9-178.2-61.538.7-21.7000112.2
214L29.2Very low35.2Very low155 Ų155132.1 Ų132.181%0.81277%0.774SS**  trans159.8145.4131-87.1165.3000115.4
215T32.6Very low35.4Very low123 Ų123134 Ų13476%0.75578%0.775SS**  trans49.7116.8146.3-510000121.9
216S39.9Very low35.6Very low105 Ų105131.7 Ų131.773%0.73477%0.769SS**  trans-74.1147.7164.152.90000114.6
217L38.1Very low36Very low168 Ų168136 Ų13688%0.8877%0.772SS**  trans-161.5160.9140.6-98.3173.7000108.3
218P36.8Very low36.2Very low116 Ų116135.1 Ų135.175%0.75377%0.769SS**PPolyproline II helixtrans-80.7155.4-164.832.5-36.1000114.4
219A34.6Very low35.7Very low92 Ų92136.4 Ų136.476%0.7676%0.764SS**PPolyproline II helixtrans-72.8143.1175.800000112.2
220P35.7Very low36.1Very low125 Ų125138.6 Ų138.681%0.81277%0.765SS**PPolyproline II helixtrans-70.8141.8174.830-34.5000111.2R222P220-R222 PolarHBondContact O-N 2.89Å
221Q35.2Very low36.6Very low196 Ų196137.2 Ų137.292%0.91677%0.768SS**PPolyproline II helixtrans-66.3116172.2-66.1173.1-6400109.6
222R31.2Very low37.3Very low230 Ų230140.9 Ų140.987%0.86877%0.774SS**PPolyproline II helixtrans-70131.3160.6173.5175-80.2-116.10.2107.7P220 S224P220-R222 PolarHBondContact O-N 2.89Å; R222-S224 PolarHBondContact O-N 2.88Å
223T30.9Very low37.9Very low100 Ų100139.7 Ų139.761%0.61378%0.775SS**PPolyproline II helixtrans-62.5125.4175.643.50000110.3E225T223-E225 WeakPolarHBondContact CB-OE2 3.46Å; T223-E225 PolarHBondContact O-N 2.9Å; T223-E225 PolarHBondContact OG1-OE2 2.93Å
224S36.3Very low38.6Very low121 Ų121137.8 Ų137.885%0.84676%0.762SS**  trans-79.561169.3-59.60000109.8R222 T226R222-S224 PolarHBondContact O-N 2.88Å; S224-T226 PolarHBondContact O-N 2.86Å
225E34.5Very low41.1Very low155 Ų155134.5 Ų134.572%0.72474%0.744SS**  trans-70.4117.9174.7-84.2166.487.600109.9T223 M227T223-E225 WeakPolarHBondContact CB-OE2 3.46Å; T223-E225 PolarHBondContact O-N 2.9Å; T223-E225 PolarHBondContact OG1-OE2 2.93Å; E225-M227 PolarHBondContact O-N 3.38Å
226T39.3Very low43.8Very low124 Ų124133 Ų13376%0.76173%0.728SS**  trans-60.1104.6-175.3-56.30000111.1S224S224-T226 PolarHBondContact O-N 2.86Å
227M35.3Very low46.3Very low159 Ų159128.1 Ų128.178%0.78369%0.694SS**  trans-58.6133.5157.9-76.9-175.9165.200108.7E225 H229E225-M227 PolarHBondContact O-N 3.38Å; M227-H229 PolarHBondContact O-N 2.89Å; M227-H229 PolarHBondContact O-ND1 2.75Å
228P38.6Very low48.8Very low121 Ų121124.6 Ų124.679%0.78667%0.672SS**  trans-59.4114.417226.1-32.7000107.4
229H37.3Very low51.4Low155 Ų155119.1 Ų119.172%0.71864%0.637SS**  trans-61.8136.8174.2-74.338.2000107.6M227 Q231M227-H229 PolarHBondContact O-N 2.89Å; M227-H229 PolarHBondContact O-ND1 2.75Å; H229-Q231 PolarHBondContact O-N 2.92Å; H229-Q231 VanDerWaalsContact O-N 3.12Å
230P37.6Very low54Low116 Ų116117.6 Ų117.675%0.75362%0.618SS**  trans-55.3126.3169.225.3-33000107.2R232P230-R232 PolarHBondContact O-N 3Å
231Q43.6Very low56.2Low197 Ų197118.3 Ų118.392%0.92161%0.605SS**  trans-69.288.5179.5-67.7-178-95.100107.9H229 A233H229-Q231 PolarHBondContact O-N 2.92Å; H229-Q231 VanDerWaalsContact O-N 3.12Å; Q231-A233 PolarHBondContact O-N 2.62Å
232R48Very low58.7Low185 Ų185114.4 Ų114.470%0.69859%0.591SS**  trans-40.6127.1170.1-96.5-176.3162.1-175.1-5.5108P230 V234P230-R232 PolarHBondContact O-N 3Å; R232-V234 VanDerWaalsContact C-N 3.32Å; R232-V234 VanDerWaalsContact O-CG2 3.29Å; R232-V234 WeakPolarHBondContact O-CG2 3.39Å; R232-V234 PolarHBondContact O-N 2.89Å
233A51.8Low61.4Low86 Ų86104.9 Ų104.971%0.71156%0.556SS**  trans-6199.317400000107.7Q231 I235Q231-A233 PolarHBondContact O-N 2.62Å; A233-I235 PolarHBondContact O-N 3.45Å
234V64.1Low64.2Low65 Ų65105.1 Ų105.139%0.39456%0.557SS.*  trans-70.2106.7-171.6-172.20000107.4R232 Q236 D260R232-V234 VanDerWaalsContact C-N 3.32Å; R232-V234 VanDerWaalsContact O-CG2 3.29Å; R232-V234 WeakPolarHBondContact O-CG2 3.39Å; R232-V234 PolarHBondContact O-N 2.89Å; V234-Q236 HydrophobicContact CG1-CG 4.26Å; V234-Q236 PolarHBondContact O-N 2.78Å; V234-Q236 VanDerWaalsContact O-N 3.08Å; V234-D260 HydrophobicContact CG1-CB 3.46Å; V234-D260 VanDerWaalsContact CG1-CB 3.46Å; V234-D260 VanDerWaalsContact CG1-CG 3.5Å; V234-D260 WeakPolarHBondContact CG1-OD1 3.19Å
235I82.6Confident66.5Low86 Ų86101.2 Ų101.244%0.44153%0.532SS..  trans-63.6113.6174.6-61.6173.2000106.1A233 I261A233-I235 PolarHBondContact O-N 3.45Å; I235-I261 HydrophobicContact CB-CB 4.17Å; I235-I261 HydrophobicContact CB-CG1 4.43Å; I235-I261 HydrophobicContact CG2-CB 4.38Å; I235-I261 HydrophobicContact CG2-CG1 4.13Å; I235-I261 VanDerWaalsContact O-CB 3.25Å; I235-I261 WeakPolarHBondContact O-CB 3.18Å; I235-I261 VanDerWaalsContact O-CG1 3.3Å; I235-I261 WeakPolarHBondContact O-CG1 3.32Å; I235-I261 PolarHBondContact O-N 2.83Å
236Q89.4Confident68.4Low90 Ų90102.8 Ų102.842%0.42154%0.539SS..EExtended strand (participates in β ladder)trans-104.7140.1-179.5-75.6-175.2-23.200110.8V234 V258 I259 D260 L289V234-Q236 HydrophobicContact CG1-CG 4.26Å; V234-Q236 PolarHBondContact O-N 2.78Å; V234-Q236 VanDerWaalsContact O-N 3.08Å; Q236-V258 HydrophobicContact CB-CG1 3.92Å; Q236-V258 HydrophobicContact CG-CG1 4.11Å; Q236-I259 WeakPolarHBondContact CA-O 3.46Å; Q236-D260 PolarHBondContact NE2-OD1 3.17Å; Q236-L289 HydrophobicContact CB-CD1 3.8Å
237V90.5Very high70.1Confident4 Ų4103.5 Ų103.52%0.02453%0.534CS..EExtended strand (participates in β ladder)trans-124.2150174.1-59.10000109.8V258 I259 I261 W270 F281 T286 T287V237-V258 WeakPolarHBondContact O-CA 3.32Å; V237-I259 HydrophobicContact CG2-CB 4.05Å; V237-I259 PolarHBondContact N-O 3.48Å; V237-I259 PolarHBondContact O-N 2.87Å; V237-I261 HydrophobicContact CG1-CD1 4Å; V237-I261 HydrophobicContact CG1-CG1 3.92Å; V237-I261 HydrophobicContact CG2-CD1 3.72Å; V237-I261 HydrophobicContact CG2-CG1 4.29Å; V237-W270 HydrophobicContact CG1-CZ3 4.12Å; V237-F281 HydrophobicContact CG2-CZ 4.18Å; V237-T286 HydrophobicContact CG2-CG2 3.85Å; V237-T287 WeakPolarHBondContact CA-O 3.34Å
238K91.3Very high72.1Confident93 Ų9399.8 Ų99.840%0.40454%0.536SS..EExtended strand (participates in β ladder)trans-102.5129.3176-172.6174.7-177.4176.20109.9V240 D257 T286 T287 L289K238-V240 PolarHBondContact O-N 2.87Å; K238-D257 WeakPolarHBondContact CA-O 3.39Å; K238-T286 CarbonylContact O-C 3.46Å; K238-T286 VanDerWaalsContact O-CA 3.26Å; K238-T286 WeakPolarHBondContact O-CA 3.31Å; K238-T287 PolarHBondContact N-O 3.33Å; K238-T287 PolarHBondContact O-N 2.99Å; K238-T287 PolarHBondContact O-OG1 3.22Å; K238-L289 HydrophobicContact CB-CD1 4.41Å; K238-L289 HydrophobicContact CB-CD2 4.08Å; K238-L289 HydrophobicContact CB-CG 4.06Å; K238-L289 HydrophobicContact CD-CD2 4.34Å
239A91.6Very high74.3Confident2 Ų298.9 Ų98.92%0.01753%0.525CS..EExtended strand (participates in β ladder)trans-64.6130.1172.100000111F253 R254 G256 D257A239-F253 HydrophobicContact CB-CD2 3.38Å; A239-F253 HydrophobicContact CB-CE2 3.52Å; A239-F253 HydrophobicContact CB-CG 4.28Å; A239-F253 HydrophobicContact CB-CZ 4.49Å; A239-R254 VanDerWaalsContact CB-O 3.26Å; A239-R254 WeakPolarHBondContact CB-O 3.41Å; A239-G256 PolarHBondContact O-N 2.8Å; A239-D257 PolarHBondContact N-O 2.62Å
240V88.8Confident76.8Confident59 Ų5993.3 Ų93.336%0.35850%0.5SS..SBendtrans-99.4-23.3173-74.60000112.8K238 A255 Y285 T287K238-V240 PolarHBondContact O-N 2.87Å; V240-A255 WeakPolarHBondContact O-CB 3.08Å; V240-Y285 VanDerWaalsContact CG2-O 3.31Å; V240-Y285 WeakPolarHBondContact CG2-O 3.34Å; V240-Y285 PolarHBondContact N-O 2.87Å; V240-T287 HydrophobicContact CG1-CG2 3.58Å; V240-T287 HydrophobicContact CG2-CG2 4.4Å
241Y83.2Confident79.3Confident141 Ų14187.9 Ų87.955%0.55346%0.464SS*.SBendtrans-122.6167.9173.1-55-59000110.5F253 A255 Y285Y241-F253 WeakPolarHBondContact O-CE2 3.47Å; Y241-A255 WeakPolarHBondContact O-CA 3.49Å; Y241-A255 PolarHBondContact O-N 2.9Å; Y241-Y285 HydrophobicContact CD2-CD1 4.32Å; Y241-Y285 HydrophobicContact CD2-CG 4.32Å; Y241-Y285 HydrophobicContact CG-CD1 4.46Å
242N87.1Confident81.4Confident114 Ų11480.1 Ų80.161%0.6144%0.437SS*.  trans-81.1146165.855.8-38.4000110.4Y285N242-Y285 WeakPolarHBondContact O-CE1 3.25Å
243F88.6Confident83.6Confident30 Ų3071.8 Ų71.813%0.13241%0.405CS..BIsolated β-bridgetrans-135130.5173.3-178.2-110.8000108.9E250 L251 G252 F253 W269 F281 P282 Y285F243-E250 HydrophobicContact CE1-CB 4.35Å; F243-L251 WeakPolarHBondContact CD1-O 3.43Å; F243-G252 CarbonylContact O-C 3.51Å; F243-G252 WeakPolarHBondContact O-CA 3.47Å; F243-F253 HydrophobicContact CB-CD1 4.28Å; F243-F253 HydrophobicContact CB-CD2 4.09Å; F243-F253 HydrophobicContact CB-CE1 3.94Å; F243-F253 HydrophobicContact CB-CE2 3.7Å; F243-F253 HydrophobicContact CB-CG 4.37Å; F243-F253 HydrophobicContact CB-CZ 3.63Å; F243-F253 HydrophobicContact CD1-CE1 4.22Å; F243-F253 HydrophobicContact CG-CE1 4.43Å; F243-F253 HydrophobicContact CG-CZ 4.38Å; F243-F253 PolarHBondContact N-O 2.78Å; F243-F253 PolarHBondContact O-N 2.82Å; F243-W269 HydrophobicContact CZ-CH2 4.23Å; F243-W269 HydrophobicContact CZ-CZ3 4.18Å; F243-F281 HydrophobicContact CD1-CB 4.28Å; F243-F281 HydrophobicContact CE1-CB 4.34Å; F243-P282 HydrophobicContact CD2-CG 3.91Å; F243-P282 HydrophobicContact CE2-CG 3.9Å; F243-P282 HydrophobicContact CG-CG 4.41Å; F243-P282 HydrophobicContact CZ-CG 4.39Å; F243-Y285 HydrophobicContact CB-CD1 4.16Å; F243-Y285 HydrophobicContact CD2-CD1 4.46Å; F243-Y285 HydrophobicContact CD2-CE1 4.45Å
244T87.8Confident85.4Confident104 Ų10476.9 Ų76.964%0.63841%0.406SS*.  trans-106123176.6-55.80000107E246T244-E246 PolarHBondContact O-N 3.11Å
245A86.6Confident86.6Confident40 Ų4076.6 Ų76.633%0.33141%0.411SS..  trans-64.9125.5171.100000109.8E250A245-E250 HydrophobicContact CB-CB 3.64Å
246E74.3Confident86.8Confident187 Ų18774.4 Ų74.487%0.87441%0.41SS*.  trans-99.2-31.5173.3-59.3-167.675.100110.6T244 E250T244-E246 PolarHBondContact O-N 3.11Å; E246-E250 PolarHBondContact N-OE2 2.92Å
247E73.6Confident86.8Confident139 Ų13971.6 Ų71.665%0.6540%0.398SS*.SBendtrans-106.3156.1175.5-168.1165.310000113.1D249 E250E247-D249 VanDerWaalsContact C-N 3.27Å; E247-D249 PolarHBondContact O-N 2.76Å; E247-E250 HydrophobicContact CB-CG 4.17Å; E247-E250 PolarHBondContact N-OE2 3.08Å; E247-E250 WeakPolarHBondContact O-CB 3.14Å; E247-E250 PolarHBondContact O-N 2.92Å
248G77.5Confident86.9Confident81 Ų8174.2 Ų74.284%0.83541%0.413SS*.THydrogen-bonded Turntrans-67-20.8-175.200000115.6
249D84.3Confident86.9Confident102 Ų10269.8 Ų69.855%0.54539%0.394SS..THydrogen-bonded Turntrans-92.13.2176.8-81.7-76.9000113.3E247 G279 L280E247-D249 VanDerWaalsContact C-N 3.27Å; E247-D249 PolarHBondContact O-N 2.76Å; D249-G279 CarbonylContact O-C 3.53Å; D249-G279 WeakPolarHBondContact O-CA 3.39Å; D249-L280 PolarHBondContact O-N 3.45Å
250E89.8Confident86.9Confident39 Ų3970.9 Ų70.918%0.18240%0.4CS..BIsolated β-bridgetrans-95.9154.1-178.4-68-176.913400114.5F243 A245 E246 E247 W269 L280F243-E250 HydrophobicContact CE1-CB 4.35Å; A245-E250 HydrophobicContact CB-CB 3.64Å; E246-E250 PolarHBondContact N-OE2 2.92Å; E247-E250 HydrophobicContact CB-CG 4.17Å; E247-E250 PolarHBondContact N-OE2 3.08Å; E247-E250 WeakPolarHBondContact O-CB 3.14Å; E247-E250 PolarHBondContact O-N 2.92Å; E250-W269 HydrophobicContact CG-CZ3 4.39Å; E250-W269 WeakPolarHBondContact OE1-CH2 3.2Å; E250-W269 WeakPolarHBondContact OE1-CZ3 3.35Å; E250-L280 CarbonylContact C-O 3.51Å; E250-L280 VanDerWaalsContact CA-O 3.29Å; E250-L280 WeakPolarHBondContact CA-O 3.18Å
251L90.3Very high87Confident2 Ų268.9 Ų68.91%0.0139%0.387CS..  trans-110.294.3-178.8-173.564.9000112.4F243 F253 I259 L274 K277 L280 F281F243-L251 WeakPolarHBondContact CD1-O 3.43Å; L251-F253 WeakPolarHBondContact O-CD1 3.43Å; L251-I259 HydrophobicContact CD2-CG2 3.85Å; L251-L274 HydrophobicContact CD1-CB 4.11Å; L251-L274 HydrophobicContact CD2-CB 4.1Å; L251-L274 HydrophobicContact CG-CB 4.34Å; L251-K277 HydrophobicContact CD1-CB 3.71Å; L251-K277 WeakPolarHBondContact CD1-O 3.21Å; L251-L280 PolarHBondContact N-O 2.8Å; L251-F281 HydrophobicContact CD2-CD1 4.35Å
252G88.3Confident87.1Confident33 Ų3365.6 Ų65.634%0.3438%0.378SS..  trans-72138.217400000113.8F243F243-G252 CarbonylContact O-C 3.51Å; F243-G252 WeakPolarHBondContact O-CA 3.47Å
253F93.2Very high86.7Confident10 Ų1063.8 Ų63.84%0.04437%0.369CS..BIsolated β-bridgetrans-151.7172.5-176.856.5-107.9000113.1A239 Y241 F243 L251 D257 I259 L274 F281 T286A239-F253 HydrophobicContact CB-CD2 3.38Å; A239-F253 HydrophobicContact CB-CE2 3.52Å; A239-F253 HydrophobicContact CB-CG 4.28Å; A239-F253 HydrophobicContact CB-CZ 4.49Å; Y241-F253 WeakPolarHBondContact O-CE2 3.47Å; F243-F253 HydrophobicContact CB-CD1 4.28Å; F243-F253 HydrophobicContact CB-CD2 4.09Å; F243-F253 HydrophobicContact CB-CE1 3.94Å; F243-F253 HydrophobicContact CB-CE2 3.7Å; F243-F253 HydrophobicContact CB-CG 4.37Å; F243-F253 HydrophobicContact CB-CZ 3.63Å; F243-F253 HydrophobicContact CD1-CE1 4.22Å; F243-F253 HydrophobicContact CG-CE1 4.43Å; F243-F253 HydrophobicContact CG-CZ 4.38Å; F243-F253 PolarHBondContact N-O 2.78Å; F243-F253 PolarHBondContact O-N 2.82Å; L251-F253 WeakPolarHBondContact O-CD1 3.43Å; F253-D257 HydrophobicContact CB-CB 4.4Å; F253-I259 HydrophobicContact CB-CD1 4.25Å; F253-I259 HydrophobicContact CD1-CD1 3.33Å; F253-I259 HydrophobicContact CD2-CD1 4.28Å; F253-I259 HydrophobicContact CE1-CD1 3.54Å; F253-I259 HydrophobicContact CE2-CD1 4.47Å; F253-I259 HydrophobicContact CG-CD1 3.72Å; F253-I259 HydrophobicContact CZ-CD1 4.13Å; F253-L274 HydrophobicContact CB-CD2 3.53Å; F253-F281 HydrophobicContact CE1-CB 3.65Å; F253-F281 AromaticContact CE1-CD2 3.73Å; F253-F281 HydrophobicContact CE1-CD2 3.73Å; F253-F281 AromaticContact CE1-CG 3.74Å; F253-F281 HydrophobicContact CE1-CG 3.74Å; F253-F281 HydrophobicContact CZ-CB 4.47Å; F253-F281 HydrophobicContact CZ-CD2 4.08Å; F253-T286 HydrophobicContact CZ-CG2 4.12Å
254R90.4Very high86.6Confident193 Ų19367.4 Ų67.473%0.72839%0.386SS*.  trans-114.5152.3175.7-60.9-178.6176.9-166.4-2.7111.4A239 G256 D257A239-R254 VanDerWaalsContact CB-O 3.26Å; A239-R254 WeakPolarHBondContact CB-O 3.41Å; R254-G256 PolarHBondContact O-N 3.13Å; R254-D257 WeakPolarHBondContact CB-OD2 3.3Å; R254-D257 PolarHBondContact N-OD2 2.86Å; R254-D257 WeakPolarHBondContact O-CB 3.33Å; R254-D257 PolarHBondContact O-N 2.9Å
255A89.1Confident86.1Confident60 Ų6067.5 Ų67.550%0.49639%0.39SS..THydrogen-bonded Turntrans-52.412517000000110.1V240 Y241V240-A255 WeakPolarHBondContact O-CB 3.08Å; Y241-A255 WeakPolarHBondContact O-CA 3.49Å; Y241-A255 PolarHBondContact O-N 2.9Å
256G86.4Confident85.6Confident40 Ų4069.2 Ų69.241%0.41239%0.394SS..THydrogen-bonded Turntrans101.3-19.8-174.600000115.8A239 R254A239-G256 PolarHBondContact O-N 2.8Å; R254-G256 PolarHBondContact O-N 3.13Å
257D91Very high85.6Confident31 Ų3165.3 Ų65.317%0.16639%0.385CS..  trans-62.7147.9173.4-81-55.3000110.8K238 A239 F253 R254 L274 R275K238-D257 WeakPolarHBondContact CA-O 3.39Å; A239-D257 PolarHBondContact N-O 2.62Å; F253-D257 HydrophobicContact CB-CB 4.4Å; R254-D257 WeakPolarHBondContact CB-OD2 3.3Å; R254-D257 PolarHBondContact N-OD2 2.86Å; R254-D257 WeakPolarHBondContact O-CB 3.33Å; R254-D257 PolarHBondContact O-N 2.9Å; D257-L274 HydrophobicContact CB-CD1 4.05Å; D257-L274 HydrophobicContact CB-CD2 4Å; D257-R275 IonicContact OD1-NH2 2.6Å; D257-R275 PolarHBondContact OD1-NH2 2.98Å
258V91.3Very high85.8Confident58 Ų5861.5 Ų61.535%0.35237%0.374SS..EExtended strand (participates in β ladder)trans-104.9126.2174.9176.50000109.1Q236 V237 L274 L289Q236-V258 HydrophobicContact CB-CG1 3.92Å; Q236-V258 HydrophobicContact CG-CG1 4.11Å; V237-V258 WeakPolarHBondContact O-CA 3.32Å; V258-L274 WeakPolarHBondContact O-CD1 3.25Å; V258-L289 HydrophobicContact CB-CD1 4.49Å; V258-L289 HydrophobicContact CG1-CD1 3.66Å; V258-L289 HydrophobicContact CG2-CD1 4.1Å
259I92.2Very high86.2Confident0 Ų062.7 Ų62.70%035%0.353CS..EExtended strand (participates in β ladder)trans-116.1128.6-172.7-54.1170.1000108.8Q236 V237 L251 F253 F281 T286Q236-I259 WeakPolarHBondContact CA-O 3.46Å; V237-I259 HydrophobicContact CG2-CB 4.05Å; V237-I259 PolarHBondContact N-O 3.48Å; V237-I259 PolarHBondContact O-N 2.87Å; L251-I259 HydrophobicContact CD2-CG2 3.85Å; F253-I259 HydrophobicContact CB-CD1 4.25Å; F253-I259 HydrophobicContact CD1-CD1 3.33Å; F253-I259 HydrophobicContact CD2-CD1 4.28Å; F253-I259 HydrophobicContact CE1-CD1 3.54Å; F253-I259 HydrophobicContact CE2-CD1 4.47Å; F253-I259 HydrophobicContact CG-CD1 3.72Å; F253-I259 HydrophobicContact CZ-CD1 4.13Å; I259-F281 HydrophobicContact CG2-CE1 3.95Å; I259-F281 HydrophobicContact CG2-CZ 4.31Å; I259-T286 HydrophobicContact CD1-CG2 4.1Å
260D90.8Very high86.5Confident26 Ų2660.5 Ų60.514%0.13934%0.337CS..EExtended strand (participates in β ladder)trans-73.8120.8170-67.4-18.8000109.3V234 Q236 G272 R273V234-D260 HydrophobicContact CG1-CB 3.46Å; V234-D260 VanDerWaalsContact CG1-CB 3.46Å; V234-D260 VanDerWaalsContact CG1-CG 3.5Å; V234-D260 WeakPolarHBondContact CG1-OD1 3.19Å; Q236-D260 PolarHBondContact NE2-OD1 3.17Å; D260-G272 CarbonylContact O-C 3.58Å; D260-G272 WeakPolarHBondContact O-CA 3.21Å; D260-R273 HydrophobicContact CB-CB 4.17Å; D260-R273 WeakPolarHBondContact CB-O 3.49Å; D260-R273 PolarHBondContact N-O 2.92Å; D260-R273 PolarHBondContact O-N 2.88Å; D260-R273 IonicContact OD2-CZ 3.25Å; D260-R273 VanDerWaalsContact OD2-CZ 3.25Å; D260-R273 IonicContact OD2-NE 2.71Å; D260-R273 PolarHBondContact OD2-NE 3.17Å; D260-R273 IonicContact OD2-NH2 2.7Å; D260-R273 PolarHBondContact OD2-NH2 2.85Å
261I90.7Very high86.4Confident17 Ų1762.7 Ų62.79%0.08735%0.346CS..EExtended strand (participates in β ladder)trans-75.1126.3170.5-58.9-61000109.5I235 V237 H264 W270 F281I235-I261 HydrophobicContact CB-CB 4.17Å; I235-I261 HydrophobicContact CB-CG1 4.43Å; I235-I261 HydrophobicContact CG2-CB 4.38Å; I235-I261 HydrophobicContact CG2-CG1 4.13Å; I235-I261 VanDerWaalsContact O-CB 3.25Å; I235-I261 WeakPolarHBondContact O-CB 3.18Å; I235-I261 VanDerWaalsContact O-CG1 3.3Å; I235-I261 WeakPolarHBondContact O-CG1 3.32Å; I235-I261 PolarHBondContact O-N 2.83Å; V237-I261 HydrophobicContact CG1-CD1 4Å; V237-I261 HydrophobicContact CG1-CG1 3.92Å; V237-I261 HydrophobicContact CG2-CD1 3.72Å; V237-I261 HydrophobicContact CG2-CG1 4.29Å; I261-H264 HydrophobicContact CG2-CB 4Å; I261-W270 HydrophobicContact CD1-CB 4.33Å; I261-W270 HydrophobicContact CD1-CD2 4.42Å; I261-W270 HydrophobicContact CD1-CE3 3.8Å; I261-F281 HydrophobicContact CD1-CE1 4.19Å; I261-F281 HydrophobicContact CD1-CZ 3.69Å
262L85.9Confident86.5Confident72 Ų7262.6 Ų62.638%0.37735%0.346SS..EExtended strand (participates in β ladder)trans-100.4-35.6171.2-57.2-177.6000111.7K271 R273L262-K271 WeakPolarHBondContact CA-O 3.46Å; L262-K271 WeakPolarHBondContact CB-O 3.29Å; L262-K271 PolarHBondContact N-O 3.5Å; L262-R273 HydrophobicContact CD1-CB 4.07Å; L262-R273 HydrophobicContact CD2-CB 4.36Å; L262-R273 HydrophobicContact CG-CB 4.23Å
263D79.6Confident86.7Confident75 Ų7565.8 Ų65.840%0.40135%0.347SS..EExtended strand (participates in β ladder)trans-150.4141.6175.6-167.5-3.5000110.2S265 K271D263-S265 VanDerWaalsContact OD1-CB 3.26Å; D263-S265 WeakPolarHBondContact OD1-CB 3.45Å; D263-S265 PolarHBondContact OD1-N 3.28Å; D263-S265 PolarHBondContact OD1-OG 2.78Å; D263-K271 HydrophobicContact CB-CB 3.9Å; D263-K271 PolarHBondContact N-O 2.91Å; D263-K271 VanDerWaalsContact N-O 3.13Å; D263-K271 PolarHBondContact O-N 2.83Å
264H86.5Confident86.5Confident107 Ų10766.2 Ų66.250%0.49535%0.35SS..  trans-136.823177.164.4-85.4000112.4I261 D266 W270I261-H264 HydrophobicContact CG2-CB 4Å; H264-D266 VanDerWaalsContact C-N 3.26Å; H264-D266 PolarHBondContact O-N 3.19Å; H264-W270 HydrophobicContact CB-CD2 4.17Å; H264-W270 HydrophobicContact CB-CG 4.01Å
265S75.8Confident86.3Confident105 Ų10565.7 Ų65.773%0.73435%0.348SS*.  trans-64.5-25.3-176.5-59.80000114.1D263D263-S265 VanDerWaalsContact OD1-CB 3.26Å; D263-S265 WeakPolarHBondContact OD1-CB 3.45Å; D263-S265 PolarHBondContact OD1-N 3.28Å; D263-S265 PolarHBondContact OD1-OG 2.78Å
266D76.3Confident85.9Confident77 Ų7770.9 Ų70.941%0.41237%0.367SS..SBendtrans-96.3137.3171.5-176.6-81.2000110.6H264 S268 W269 W270H264-D266 VanDerWaalsContact C-N 3.26Å; H264-D266 PolarHBondContact O-N 3.19Å; D266-S268 VanDerWaalsContact C-N 3.29Å; D266-S268 PolarHBondContact O-N 3.47Å; D266-S268 WeakPolarHBondContact OD1-CA 3.48Å; D266-S268 WeakPolarHBondContact OD1-CB 3.26Å; D266-S268 PolarHBondContact OD1-N 3.08Å; D266-W269 PolarHBondContact OD1-N 2.82Å; D266-W270 PolarHBondContact O-NE1 2.69Å
267P74.6Confident85.7Confident105 Ų10576.5 Ų76.568%0.68238%0.381SS*.SBendtrans-76.9-10-176.831.7-37.1000114.5
268S77.1Confident85.6Confident59 Ų5978.5 Ų78.541%0.41340%0.397SS..SBendtrans-109.3-39.5-176.7-49.10000112.3D266 P282 A283D266-S268 VanDerWaalsContact C-N 3.29Å; D266-S268 PolarHBondContact O-N 3.47Å; D266-S268 WeakPolarHBondContact OD1-CA 3.48Å; D266-S268 WeakPolarHBondContact OD1-CB 3.26Å; D266-S268 PolarHBondContact OD1-N 3.08Å; S268-P282 CarbonylContact O-C 3.59Å; S268-P282 WeakPolarHBondContact O-CA 3.45Å; S268-A283 PolarHBondContact O-N 3.12Å
269W86.9Confident85.5Confident106 Ų10675.8 Ų75.840%0.40238%0.381SS..EExtended strand (participates in β ladder)trans-123.7120.6-176.3-72.289.1000112F243 E250 D266 L280 F281F243-W269 HydrophobicContact CZ-CH2 4.23Å; F243-W269 HydrophobicContact CZ-CZ3 4.18Å; E250-W269 HydrophobicContact CG-CZ3 4.39Å; E250-W269 WeakPolarHBondContact OE1-CH2 3.2Å; E250-W269 WeakPolarHBondContact OE1-CZ3 3.35Å; D266-W269 PolarHBondContact OD1-N 2.82Å; W269-L280 HydrophobicContact CE3-CB 4Å; W269-L280 HydrophobicContact CZ3-CB 4.5Å; W269-F281 CarbonylContact C-O 3.54Å; W269-F281 WeakPolarHBondContact CA-O 3.49Å; W269-F281 VanDerWaalsContact CE3-C 3.43Å
270W90.9Very high85.3Confident56 Ų5679.1 Ų79.121%0.21240%0.398CS..EExtended strand (participates in β ladder)trans-106.2146.6178.2-67.1-12.2000110.9V237 I261 H264 D266 L280 F281 A283V237-W270 HydrophobicContact CG1-CZ3 4.12Å; I261-W270 HydrophobicContact CD1-CB 4.33Å; I261-W270 HydrophobicContact CD1-CD2 4.42Å; I261-W270 HydrophobicContact CD1-CE3 3.8Å; H264-W270 HydrophobicContact CB-CD2 4.17Å; H264-W270 HydrophobicContact CB-CG 4.01Å; D266-W270 PolarHBondContact O-NE1 2.69Å; W270-L280 CarbonylContact O-C 3.58Å; W270-L280 WeakPolarHBondContact O-CA 3.49Å; W270-F281 HydrophobicContact CB-CE1 3.91Å; W270-F281 HydrophobicContact CB-CE2 4.21Å; W270-F281 HydrophobicContact CB-CZ 3.73Å; W270-F281 HydrophobicContact CE3-CE2 4.22Å; W270-F281 HydrophobicContact CE3-CZ 4.13Å; W270-F281 PolarHBondContact N-O 3.09Å; W270-F281 WeakPolarHBondContact O-CD1 3.21Å; W270-F281 PolarHBondContact O-N 2.83Å; W270-A283 HydrophobicContact CD2-CB 3.52Å; W270-A283 VanDerWaalsContact CE2-CB 3.46Å; W270-A283 HydrophobicContact CE3-CB 3.85Å; W270-A283 HydrophobicContact CG-CB 3.97Å; W270-A283 HydrophobicContact CH2-CB 4.11Å; W270-A283 HydrophobicContact CZ2-CB 3.79Å; W270-A283 HydrophobicContact CZ3-CB 4.12Å
271K88.3Confident85.3Confident85 Ų8577.9 Ų77.937%0.3739%0.391SS..EExtended strand (participates in β ladder)trans-92.3115.7172.6-164.7162.7-172.8153.80109.1L262 D263 G279 L280L262-K271 WeakPolarHBondContact CA-O 3.46Å; L262-K271 WeakPolarHBondContact CB-O 3.29Å; L262-K271 PolarHBondContact N-O 3.5Å; D263-K271 HydrophobicContact CB-CB 3.9Å; D263-K271 PolarHBondContact N-O 2.91Å; D263-K271 VanDerWaalsContact N-O 3.13Å; D263-K271 PolarHBondContact O-N 2.83Å; K271-G279 WeakPolarHBondContact CA-O 3.45Å; K271-L280 HydrophobicContact CB-CD2 3.94Å; K271-L280 HydrophobicContact CG-CD2 4.28Å
272G91.5Very high85.2Confident0 Ų077.9 Ų77.90%039%0.393CS..EExtended strand (participates in β ladder)trans-108.7171.8-179.900000113.7D260 S278 G279D260-G272 CarbonylContact O-C 3.58Å; D260-G272 WeakPolarHBondContact O-CA 3.21Å; G272-S278 WeakPolarHBondContact O-CA 3.48Å; G272-S278 WeakPolarHBondContact O-CB 3.29Å; G272-G279 PolarHBondContact N-O 3.21Å; G272-G279 PolarHBondContact O-N 3.38Å; G272-G279 VanDerWaalsContact O-N 3.09Å
273R91.8Very high85.2Confident99 Ų9974.8 Ų74.837%0.37438%0.377SS..EExtended strand (participates in β ladder)trans-129.8130.7157172.9-177.164.7-153.7-1109.3D260 L262 R275 K277D260-R273 HydrophobicContact CB-CB 4.17Å; D260-R273 WeakPolarHBondContact CB-O 3.49Å; D260-R273 PolarHBondContact N-O 2.92Å; D260-R273 PolarHBondContact O-N 2.88Å; D260-R273 IonicContact OD2-CZ 3.25Å; D260-R273 VanDerWaalsContact OD2-CZ 3.25Å; D260-R273 IonicContact OD2-NE 2.71Å; D260-R273 PolarHBondContact OD2-NE 3.17Å; D260-R273 IonicContact OD2-NH2 2.7Å; D260-R273 PolarHBondContact OD2-NH2 2.85Å; L262-R273 HydrophobicContact CD1-CB 4.07Å; L262-R273 HydrophobicContact CD2-CB 4.36Å; L262-R273 HydrophobicContact CG-CB 4.23Å; R273-R275 WeakPolarHBondContact CG-O 3.07Å; R273-K277 CarbonylContact C-O 3.51Å; R273-K277 VanDerWaalsContact CA-O 3.25Å; R273-K277 WeakPolarHBondContact CA-O 3.1Å; R273-K277 WeakPolarHBondContact CG-O 3.42Å
274L90.6Very high85.6Confident19 Ų1977.4 Ų77.410%0.09939%0.391CS..EExtended strand (participates in β ladder)trans-125.5107.4171175.961.4000107.5L251 F253 D257 V258 D276 K277L251-L274 HydrophobicContact CD1-CB 4.11Å; L251-L274 HydrophobicContact CD2-CB 4.1Å; L251-L274 HydrophobicContact CG-CB 4.34Å; F253-L274 HydrophobicContact CB-CD2 3.53Å; D257-L274 HydrophobicContact CB-CD1 4.05Å; D257-L274 HydrophobicContact CB-CD2 4Å; V258-L274 WeakPolarHBondContact O-CD1 3.25Å; L274-D276 PolarHBondContact O-N 2.81Å; L274-K277 PolarHBondContact N-O 2.7Å; L274-K277 PolarHBondContact O-N 3.21Å
275R84.3Confident85.6Confident183 Ų18376.7 Ų76.769%0.69139%0.385SS*.THydrogen-bonded Turntrans57.9-132.1-173.4-46.1172-158.4-175.66.1108.7D257 R273 K277D257-R275 IonicContact OD1-NH2 2.6Å; D257-R275 PolarHBondContact OD1-NH2 2.98Å; R273-R275 WeakPolarHBondContact CG-O 3.07Å; R275-K277 VanDerWaalsContact C-N 3.28Å; R275-K277 PolarHBondContact O-N 2.94Å
276D81.8Confident86.3Confident168 Ų16872.4 Ų72.490%0.89835%0.354SS*.THydrogen-bonded Turntrans-80.40.5-179.4-48.4-81.4000114.7L274L274-D276 PolarHBondContact O-N 2.81Å
277K82Confident86.7Confident159 Ų15971.6 Ų71.669%0.69135%0.352SS*.EExtended strand (participates in β ladder)trans-103.4140.5178.4-66.6-167.5174-166.10111.4L251 R273 L274 R275L251-K277 HydrophobicContact CD1-CB 3.71Å; L251-K277 WeakPolarHBondContact CD1-O 3.21Å; R273-K277 CarbonylContact C-O 3.51Å; R273-K277 VanDerWaalsContact CA-O 3.25Å; R273-K277 WeakPolarHBondContact CA-O 3.1Å; R273-K277 WeakPolarHBondContact CG-O 3.42Å; L274-K277 PolarHBondContact N-O 2.7Å; L274-K277 PolarHBondContact O-N 3.21Å; R275-K277 VanDerWaalsContact C-N 3.28Å; R275-K277 PolarHBondContact O-N 2.94Å
278S88.5Confident87.2Confident73 Ų7371.2 Ų71.251%0.5135%0.35SS..EExtended strand (participates in β ladder)trans-135.6148.3171.461.80000110.6G272G272-S278 WeakPolarHBondContact O-CA 3.48Å; G272-S278 WeakPolarHBondContact O-CB 3.29Å
279G90.4Very high87.1Confident1 Ų175.1 Ų75.11%0.0137%0.365CS..EExtended strand (participates in β ladder)trans173177.5-172.400000112.3D249 K271 G272D249-G279 CarbonylContact O-C 3.53Å; D249-G279 WeakPolarHBondContact O-CA 3.39Å; K271-G279 WeakPolarHBondContact CA-O 3.45Å; G272-G279 PolarHBondContact N-O 3.21Å; G272-G279 PolarHBondContact O-N 3.38Å; G272-G279 VanDerWaalsContact O-N 3.09Å
280L88.3Confident87.1Confident69 Ų6973.6 Ų73.636%0.36136%0.364SS..EExtended strand (participates in β ladder)trans-81.7147.5178-63.3175.1000111.7D249 E250 L251 W269 W270 K271D249-L280 PolarHBondContact O-N 3.45Å; E250-L280 CarbonylContact C-O 3.51Å; E250-L280 VanDerWaalsContact CA-O 3.29Å; E250-L280 WeakPolarHBondContact CA-O 3.18Å; L251-L280 PolarHBondContact N-O 2.8Å; W269-L280 HydrophobicContact CE3-CB 4Å; W269-L280 HydrophobicContact CZ3-CB 4.5Å; W270-L280 CarbonylContact O-C 3.58Å; W270-L280 WeakPolarHBondContact O-CA 3.49Å; K271-L280 HydrophobicContact CB-CD2 3.94Å; K271-L280 HydrophobicContact CG-CD2 4.28Å
281F90.8Very high86.9Confident0 Ų074.5 Ų74.50%037%0.372CS..EExtended strand (participates in β ladder)trans-152.7155.5172.969.8-88.6000112.1V237 F243 L251 F253 I259 I261 W269 W270 A283 T286V237-F281 HydrophobicContact CG2-CZ 4.18Å; F243-F281 HydrophobicContact CD1-CB 4.28Å; F243-F281 HydrophobicContact CE1-CB 4.34Å; L251-F281 HydrophobicContact CD2-CD1 4.35Å; F253-F281 HydrophobicContact CE1-CB 3.65Å; F253-F281 AromaticContact CE1-CD2 3.73Å; F253-F281 HydrophobicContact CE1-CD2 3.73Å; F253-F281 AromaticContact CE1-CG 3.74Å; F253-F281 HydrophobicContact CE1-CG 3.74Å; F253-F281 HydrophobicContact CZ-CB 4.47Å; F253-F281 HydrophobicContact CZ-CD2 4.08Å; I259-F281 HydrophobicContact CG2-CE1 3.95Å; I259-F281 HydrophobicContact CG2-CZ 4.31Å; I261-F281 HydrophobicContact CD1-CE1 4.19Å; I261-F281 HydrophobicContact CD1-CZ 3.69Å; W269-F281 CarbonylContact C-O 3.54Å; W269-F281 WeakPolarHBondContact CA-O 3.49Å; W269-F281 VanDerWaalsContact CE3-C 3.43Å; W270-F281 HydrophobicContact CB-CE1 3.91Å; W270-F281 HydrophobicContact CB-CE2 4.21Å; W270-F281 HydrophobicContact CB-CZ 3.73Å; W270-F281 HydrophobicContact CE3-CE2 4.22Å; W270-F281 HydrophobicContact CE3-CZ 4.13Å; W270-F281 PolarHBondContact N-O 3.09Å; W270-F281 WeakPolarHBondContact O-CD1 3.21Å; W270-F281 PolarHBondContact O-N 2.83Å; F281-A283 PolarHBondContact O-N 2.77Å; F281-T286 HydrophobicContact CD2-CG2 3.99Å; F281-T286 HydrophobicContact CE2-CG2 3.4Å; F281-T286 HydrophobicContact CZ-CG2 4.21Å
282P86.6Confident86.8Confident17 Ų1773.9 Ų73.911%0.1137%0.372CS..EExtended strand (participates in β ladder)trans-69.3121178.526-34.4000112.1F243 S268 N284 Y285F243-P282 HydrophobicContact CD2-CG 3.91Å; F243-P282 HydrophobicContact CE2-CG 3.9Å; F243-P282 HydrophobicContact CG-CG 4.41Å; F243-P282 HydrophobicContact CZ-CG 4.39Å; S268-P282 CarbonylContact O-C 3.59Å; S268-P282 WeakPolarHBondContact O-CA 3.45Å; P282-N284 PolarHBondContact O-N 3.02Å; P282-N284 VanDerWaalsContact O-N 3.14Å; P282-Y285 HydrophobicContact CB-CD2 3.88Å; P282-Y285 HydrophobicContact CB-CE2 4.38Å; P282-Y285 HydrophobicContact CG-CD1 4.49Å; P282-Y285 HydrophobicContact CG-CD2 3.54Å; P282-Y285 HydrophobicContact CG-CE2 4.03Å; P282-Y285 HydrophobicContact CG-CG 3.83Å; P282-Y285 WeakPolarHBondContact O-CB 3.17Å; P282-Y285 PolarHBondContact O-N 3.29Å
283A86.1Confident86.5Confident7 Ų778.3 Ų78.36%0.05839%0.394CS..G310 helixtrans-52.3-41-178.100000112.8S268 W270 F281 Y285 T286S268-A283 PolarHBondContact O-N 3.12Å; W270-A283 HydrophobicContact CD2-CB 3.52Å; W270-A283 VanDerWaalsContact CE2-CB 3.46Å; W270-A283 HydrophobicContact CE3-CB 3.85Å; W270-A283 HydrophobicContact CG-CB 3.97Å; W270-A283 HydrophobicContact CH2-CB 4.11Å; W270-A283 HydrophobicContact CZ2-CB 3.79Å; W270-A283 HydrophobicContact CZ3-CB 4.12Å; F281-A283 PolarHBondContact O-N 2.77Å; A283-Y285 PolarHBondContact O-N 2.99Å; A283-T286 PolarHBondContact O-N 2.75Å; A283-T286 PolarHBondContact O-OG1 3.21Å
284N88.3Confident86.2Confident130 Ų13077 Ų7770%0.69540%0.395SS*.G310 helixtrans-60.2-11.7179.4-64.8-45.5000115P282 T286P282-N284 PolarHBondContact O-N 3.02Å; P282-N284 VanDerWaalsContact O-N 3.14Å; N284-T286 VanDerWaalsContact C-N 3.31Å
285Y86.3Confident85.9Confident93 Ų9380.9 Ų80.937%0.36542%0.415SS..G310 helixtrans-89.82.6176.5-79.5-124.4000112.6V240 Y241 N242 F243 P282 A283V240-Y285 VanDerWaalsContact CG2-O 3.31Å; V240-Y285 WeakPolarHBondContact CG2-O 3.34Å; V240-Y285 PolarHBondContact N-O 2.87Å; Y241-Y285 HydrophobicContact CD2-CD1 4.32Å; Y241-Y285 HydrophobicContact CD2-CG 4.32Å; Y241-Y285 HydrophobicContact CG-CD1 4.46Å; N242-Y285 WeakPolarHBondContact O-CE1 3.25Å; F243-Y285 HydrophobicContact CB-CD1 4.16Å; F243-Y285 HydrophobicContact CD2-CD1 4.46Å; F243-Y285 HydrophobicContact CD2-CE1 4.45Å; P282-Y285 HydrophobicContact CB-CD2 3.88Å; P282-Y285 HydrophobicContact CB-CE2 4.38Å; P282-Y285 HydrophobicContact CG-CD1 4.49Å; P282-Y285 HydrophobicContact CG-CD2 3.54Å; P282-Y285 HydrophobicContact CG-CE2 4.03Å; P282-Y285 HydrophobicContact CG-CG 3.83Å; P282-Y285 WeakPolarHBondContact O-CB 3.17Å; P282-Y285 PolarHBondContact O-N 3.29Å; A283-Y285 PolarHBondContact O-N 2.99Å
286T90.3Very high86Confident14 Ų1473.6 Ų73.69%0.08640%0.395CS..EExtended strand (participates in β ladder)trans-132157.5-177.3680000112.6V237 K238 F253 I259 F281 A283 N284V237-T286 HydrophobicContact CG2-CG2 3.85Å; K238-T286 CarbonylContact O-C 3.46Å; K238-T286 VanDerWaalsContact O-CA 3.26Å; K238-T286 WeakPolarHBondContact O-CA 3.31Å; F253-T286 HydrophobicContact CZ-CG2 4.12Å; I259-T286 HydrophobicContact CD1-CG2 4.1Å; F281-T286 HydrophobicContact CD2-CG2 3.99Å; F281-T286 HydrophobicContact CE2-CG2 3.4Å; F281-T286 HydrophobicContact CZ-CG2 4.21Å; A283-T286 PolarHBondContact O-N 2.75Å; A283-T286 PolarHBondContact O-OG1 3.21Å; N284-T286 VanDerWaalsContact C-N 3.31Å
287T86.4Confident86.4Confident61 Ų6166.3 Ų66.337%0.37436%0.356SS..EExtended strand (participates in β ladder)trans-124.6144.9170.7520000109.9V237 K238 V240V237-T287 WeakPolarHBondContact CA-O 3.34Å; K238-T287 PolarHBondContact N-O 3.33Å; K238-T287 PolarHBondContact O-N 2.99Å; K238-T287 PolarHBondContact O-OG1 3.22Å; V240-T287 HydrophobicContact CG1-CG2 3.58Å; V240-T287 HydrophobicContact CG2-CG2 4.4Å
288P85.1Confident86.7Confident97 Ų9758.6 Ų58.663%0.6333%0.328SS*.EExtended strand (participates in β ladder)trans-54149168.3-23.934.4000112.3
289L73.9Confident86.6Confident141 Ų14157.3 Ų57.374%0.73831%0.312SS*.  trans-86.40168.7-78.9155.4000111.8Q236 K238 V258Q236-L289 HydrophobicContact CB-CD1 3.8Å; K238-L289 HydrophobicContact CB-CD1 4.41Å; K238-L289 HydrophobicContact CB-CD2 4.08Å; K238-L289 HydrophobicContact CB-CG 4.06Å; K238-L289 HydrophobicContact CD-CD2 4.34Å; V258-L289 HydrophobicContact CB-CD1 4.49Å; V258-L289 HydrophobicContact CG1-CD1 3.66Å; V258-L289 HydrophobicContact CG2-CD1 4.1Å

Retrieved 289 of 289 residues in 807.6 ms (Link to these results)

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