A0A096MN92_PAPAN Loading...

Docking protein 3

AlphaFold DB (A0A096NP11), UniProt , Accession A0A096MN92, Species PAPAN (Papio anubis, Olive baboon), Gene DOK3, Length 440 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
1M41.1Very low75.9Confident234 Ų23497.7 Ų97.7100%1.15354%0.54SS*.  088.80-73.4-53.1-158.700106.8
2D46Very low77.4Confident147 Ų14794.5 Ų94.579%0.78652%0.52SS*.  trans-70.2144.4179.8-51.6-81.5000109.6V4D2-V4 PolarHBondContact O-N 3.4Å
3P54.6Low78.7Confident92 Ų9287.4 Ų87.460%0.59748%0.481SS*.  trans-66.9106.5-175.226.3-34.5000110.8E5 S38P3-E5 PolarHBondContact O-N 2.65Å; P3-E5 VanDerWaalsContact O-N 3.13Å; P3-S38 WeakPolarHBondContact CG-OG 3.4Å
4V68Low79.8Confident134 Ų13485.8 Ų85.881%0.81247%0.465SS*.  trans-58.7115.1178.6179.90000110.1D2 T6D2-V4 PolarHBondContact O-N 3.4Å; V4-T6 PolarHBondContact O-N 3.38Å
5E79.9Confident80.7Confident57 Ų5780.3 Ų80.327%0.26644%0.435SS..PPolyproline II helixtrans-64.3123.2175.7-69.6-178.7115.400110.8P3 Y33 G39 R42P3-E5 PolarHBondContact O-N 2.65Å; P3-E5 VanDerWaalsContact O-N 3.13Å; E5-Y33 HydrophobicContact CB-CD1 3.95Å; E5-Y33 HydrophobicContact CB-CE1 3.79Å; E5-G39 WeakPolarHBondContact OE1-CA 3.33Å; E5-R42 VanDerWaalsContact CD-NH1 3.33Å; E5-R42 IonicContact OE1-CZ 3.68Å; E5-R42 IonicContact OE1-NH1 2.71Å; E5-R42 PolarHBondContact OE1-NH1 2.76Å; E5-R42 IonicContact OE1-NH2 3.91Å; E5-R42 IonicContact OE2-CZ 2.75Å; E5-R42 VanDerWaalsContact OE2-CZ 3.31Å; E5-R42 IonicContact OE2-NH1 2.64Å; E5-R42 PolarHBondContact OE2-NH1 3.33Å; E5-R42 VanDerWaalsContact OE2-NH1 3.11Å; E5-R42 IonicContact OE2-NH2 3.71Å; E5-R42 PolarHBondContact OE2-NH2 3.48Å
6T85.6Confident81.5Confident115 Ų11577.5 Ų77.571%0.70642%0.418SS*.PPolyproline II helixtrans-91.9125.5173.4-57.30000109.3V4V4-T6 PolarHBondContact O-N 3.38Å
7P89.9Confident82Confident40 Ų4075.1 Ų75.126%0.2640%0.403SS..PPolyproline II helixtrans-69.2138.4173.129.7-33.9000110K9 L31 L32 Y33P7-K9 VanDerWaalsContact C-N 3.27Å; P7-L31 HydrophobicContact CB-CB 4.05Å; P7-L31 HydrophobicContact CB-CD2 4.14Å; P7-L31 HydrophobicContact CB-CG 4.47Å; P7-L31 HydrophobicContact CG-CD1 4.38Å; P7-L31 HydrophobicContact CG-CD2 4Å; P7-L32 CarbonylContact C-O 3.54Å; P7-L32 WeakPolarHBondContact CA-O 3.5Å; P7-Y33 HydrophobicContact CB-CD1 4.15Å; P7-Y33 HydrophobicContact CB-CE1 3.91Å; P7-Y33 HydrophobicContact CB-CE2 4.4Å; P7-Y33 HydrophobicContact CG-CE1 4.4Å
8I91.1Very high82.4Confident94 Ų9476.2 Ų76.248%0.48241%0.413SS..SBendtrans-77.3-16.5176.463.9155.5000112.7L32 A34 P117 L121I8-L32 HydrophobicContact CD1-CD2 3.88Å; I8-L32 HydrophobicContact CD1-CG 4.17Å; I8-L32 HydrophobicContact CG1-CB 4.24Å; I8-L32 HydrophobicContact CG1-CD2 4.12Å; I8-L32 HydrophobicContact CG1-CG 4.02Å; I8-L32 WeakPolarHBondContact CG1-O 3.16Å; I8-L32 PolarHBondContact N-O 3.16Å; I8-A34 HydrophobicContact CG2-CB 3.84Å; I8-P117 HydrophobicContact CD1-CB 4.44Å; I8-L121 HydrophobicContact CD1-CD1 3.67Å; I8-L121 HydrophobicContact CG1-CD1 4.49Å
9K92.4Very high82.5Confident53 Ų5377.9 Ų77.923%0.2342%0.416CS..EExtended strand (participates in β ladder)trans-155.8138.3175.7-168.2-173.2-176.477.80111.1P7 L31 L32 A113 W114P7-K9 VanDerWaalsContact C-N 3.27Å; K9-L31 CarbonylContact O-C 3.51Å; K9-L31 WeakPolarHBondContact O-CA 3.43Å; K9-L32 HydrophobicContact CB-CB 4.04Å; K9-L32 HydrophobicContact CB-CD2 4.46Å; K9-L32 PolarHBondContact N-O 2.93Å; K9-L32 PolarHBondContact O-N 3.31Å; K9-A113 WeakPolarHBondContact CD-O 3.19Å; K9-A113 WeakPolarHBondContact CE-O 3.47Å; K9-A113 PolarHBondContact NZ-O 3.05Å; K9-W114 HydrophobicContact CD-CD2 3.68Å; K9-W114 HydrophobicContact CD-CE3 3.71Å; K9-W114 HydrophobicContact CD-CG 4.26Å; K9-W114 HydrophobicContact CD-CH2 4.07Å; K9-W114 HydrophobicContact CD-CZ2 4.07Å; K9-W114 HydrophobicContact CD-CZ3 3.9Å; K9-W114 VanDerWaalsContact CE-CD2 3.45Å; K9-W114 HydrophobicContact CG-CH2 4.16Å; K9-W114 HydrophobicContact CG-CZ2 4.33Å; K9-W114 HydrophobicContact CG-CZ3 4.3Å
10D93.4Very high82.8Confident96 Ų9684.4 Ų84.451%0.51344%0.441SS..EExtended strand (participates in β ladder)trans-124.3169.1171.566-54.5000112.1W29 A30 L31D10-W29 HydrophobicContact CB-CZ2 4.15Å; D10-W29 WeakPolarHBondContact OD2-CZ2 3.46Å; D10-A30 WeakPolarHBondContact CA-O 3.38Å; D10-L31 HydrophobicContact CB-CD2 3.41Å; D10-L31 VanDerWaalsContact CB-CD2 3.41Å
11G93Very high83Confident13 Ų1383.9 Ų83.913%0.13446%0.456CS..EExtended strand (participates in β ladder)trans139.3-167166.600000114.7W29 A30G11-W29 WeakPolarHBondContact O-CA 3.41Å; G11-A30 PolarHBondContact N-O 3.4Å; G11-A30 VanDerWaalsContact N-O 3.14Å; G11-A30 PolarHBondContact O-N 3.1Å
12I93.5Very high85.3Confident59 Ų5980.4 Ų80.430%0.30344%0.435SS..EExtended strand (participates in β ladder)trans-85.2130.6-179.3-60.2-64.4000111.2Y14 K27 V28 W29 V48I12-Y14 HydrophobicContact CG2-CE2 4.04Å; I12-K27 HydrophobicContact CD1-CG 4.37Å; I12-K27 HydrophobicContact CG2-CG 3.98Å; I12-V28 WeakPolarHBondContact CA-O 3.25Å; I12-W29 HydrophobicContact CD1-CE3 3.6Å; I12-W29 HydrophobicContact CD1-CZ3 4.1Å; I12-W29 HydrophobicContact CG1-CE3 4.3Å; I12-W29 HydrophobicContact CG1-CZ3 4.41Å; I12-V48 HydrophobicContact CD1-CG2 4.14Å
13L95Very high87.4Confident2 Ų279.1 Ų79.11%0.0142%0.422CS..EExtended strand (participates in β ladder)trans-117.9162.7159.4-67179.9000109.1V28 A30 F95 L106 A108 W114L13-V28 HydrophobicContact CB-CG2 3.79Å; L13-V28 PolarHBondContact N-O 3.1Å; L13-V28 WeakPolarHBondContact O-CG2 3.3Å; L13-V28 PolarHBondContact O-N 3.13Å; L13-A30 HydrophobicContact CD1-CB 3.64Å; L13-A30 HydrophobicContact CG-CB 3.96Å; L13-F95 HydrophobicContact CD2-CE1 4.33Å; L13-F95 HydrophobicContact CD2-CZ 4.39Å; L13-L106 HydrophobicContact CD1-CD1 4.43Å; L13-A108 HydrophobicContact CD2-CB 3.59Å; L13-W114 HydrophobicContact CD1-CD2 4.36Å; L13-W114 HydrophobicContact CD1-CE3 4.15Å; L13-W114 HydrophobicContact CD1-CZ3 4.28Å; L13-W114 HydrophobicContact CD2-CD2 3.72Å; L13-W114 HydrophobicContact CD2-CE3 4.34Å; L13-W114 HydrophobicContact CD2-CG 3.85Å; L13-W114 HydrophobicContact CD2-CZ2 4.25Å; L13-W114 HydrophobicContact CG-CD2 4.26Å; L13-W114 HydrophobicContact CG-CE3 4.48Å; L13-W114 HydrophobicContact CG-CH2 4.46Å; L13-W114 HydrophobicContact CG-CZ2 4.21Å
14Y94.1Very high89Confident65 Ų6576.5 Ų76.526%0.25541%0.406SS..EExtended strand (participates in β ladder)trans-111.3137162.3-60.6-90.4000108.6I12 W25 R26 K27 P89 T92 L106 A107I12-Y14 HydrophobicContact CG2-CE2 4.04Å; Y14-W25 WeakPolarHBondContact O-CZ3 3.26Å; Y14-R26 CarbonylContact C-O 3.53Å; Y14-R26 VanDerWaalsContact CA-O 3.32Å; Y14-R26 WeakPolarHBondContact CA-O 3.44Å; Y14-K27 HydrophobicContact CD1-CB 4.07Å; Y14-K27 HydrophobicContact CD1-CG 4.48Å; Y14-K27 HydrophobicContact CE1-CB 3.84Å; Y14-K27 HydrophobicContact CE1-CG 3.93Å; Y14-P89 HydrophobicContact CD1-CG 3.99Å; Y14-P89 HydrophobicContact CD2-CB 4.46Å; Y14-P89 HydrophobicContact CD2-CG 4.18Å; Y14-P89 HydrophobicContact CG-CB 4.46Å; Y14-P89 HydrophobicContact CG-CG 3.79Å; Y14-T92 HydrophobicContact CD2-CG2 3.89Å; Y14-T92 HydrophobicContact CE2-CG2 3.78Å; Y14-L106 CarbonylContact O-C 3.47Å; Y14-L106 VanDerWaalsContact O-CA 3.29Å; Y14-L106 WeakPolarHBondContact O-CA 3.38Å; Y14-A107 PolarHBondContact N-O 3.3Å; Y14-A107 PolarHBondContact O-N 3.42Å
15Q93.6Very high90.1Very high4 Ų472.9 Ų72.92%0.01938%0.377CS..EExtended strand (participates in β ladder)trans-113.6131.9175.8-179.1167.273.400109.3W25 R26 V28 L106Q15-W25 VanDerWaalsContact C-CE3 3.42Å; Q15-W25 WeakPolarHBondContact O-CA 3.3Å; Q15-R26 HydrophobicContact CB-CG 4.37Å; Q15-R26 PolarHBondContact N-O 3.24Å; Q15-R26 PolarHBondContact O-N 3Å; Q15-V28 HydrophobicContact CB-CG1 4.31Å; Q15-L106 HydrophobicContact CB-CD2 3.89Å; Q15-L106 HydrophobicContact CG-CD2 3.98Å
16Q93Very high90.7Very high35 Ų3571.3 Ų71.316%0.16437%0.369CS..EExtended strand (participates in β ladder)trans-77139173.6-158.2-17485.600109.4K23 C24 W25 E86 L105Q16-K23 HydrophobicContact CG-CB 4.46Å; Q16-C24 WeakPolarHBondContact CA-O 3.35Å; Q16-W25 HydrophobicContact CB-CD2 4.08Å; Q16-W25 HydrophobicContact CB-CE3 3.93Å; Q16-W25 HydrophobicContact CB-CH2 3.98Å; Q16-W25 HydrophobicContact CB-CZ2 4.09Å; Q16-W25 HydrophobicContact CB-CZ3 3.88Å; Q16-W25 HydrophobicContact CG-CD2 4.29Å; Q16-W25 HydrophobicContact CG-CZ2 4.25Å; Q16-W25 VanDerWaalsContact N-CE3 3.3Å; Q16-E86 PolarHBondContact NE2-OE2 2.86Å; Q16-L105 HydrophobicContact CB-CB 4.03Å; Q16-L105 HydrophobicContact CB-CD2 3.99Å; Q16-L105 HydrophobicContact CB-CG 4.47Å; Q16-L105 HydrophobicContact CG-CD2 4.33Å; Q16-L105 PolarHBondContact N-O 2.94Å
17H89.5Confident91Very high36 Ų3668.7 Ų68.717%0.16735%0.348CS..EExtended strand (participates in β ladder)trans-148.4158.3174.264.6-68.9000109.7K19 C24H17-K19 WeakPolarHBondContact NE2-CD 3.35Å; H17-K19 WeakPolarHBondContact NE2-CE 3.47Å; H17-C24 PolarHBondContact CE1-SG 2.76Å; H17-C24 PolarHBondContact N-O 3.35Å; H17-C24 PolarHBondContact ND1-O 3.25Å; H17-C24 PolarHBondContact NE2-SG 3.29Å; H17-C24 PolarHBondContact O-N 3.49Å; H17-C24 PolarHBondContact O-SG 2.77Å
18V88.8Confident91.1Very high96 Ų9666.9 Ų66.958%0.58234%0.336SS*.EExtended strand (participates in β ladder)trans-100.4124.5179.61800000109.6K22V18-K22 WeakPolarHBondContact CA-O 3.16Å
19K85.9Confident91.3Very high108 Ų10866.5 Ų66.547%0.4733%0.329SS..EExtended strand (participates in β ladder)trans-120.6124.8168.9-76.7176.8177.21680108.4H17 G21 K22H17-K19 WeakPolarHBondContact NE2-CD 3.35Å; H17-K19 WeakPolarHBondContact NE2-CE 3.47Å; K19-G21 VanDerWaalsContact C-N 3.3Å; K19-G21 PolarHBondContact O-N 3.34Å; K19-K22 PolarHBondContact N-O 3.04Å; K19-K22 PolarHBondContact O-N 2.89Å
20F88.1Confident91.4Very high208 Ų20864 Ų6491%0.91232%0.318SS*.THydrogen-bonded Turntrans49.845.8179.5-50.2-73.7000113.7K22F20-K22 PolarHBondContact O-N 3.39Å
21G87.3Confident91.5Very high74 Ų7460.5 Ų60.576%0.76330%0.299SS*.THydrogen-bonded Turntrans74.6-4.4-178.800000115.8K19K19-G21 VanDerWaalsContact C-N 3.3Å; K19-G21 PolarHBondContact O-N 3.34Å
22K88.4Confident91.6Very high160 Ų16059.9 Ų59.970%0.69629%0.292SS*.EExtended strand (participates in β ladder)trans-100.1128.9178.9-60.7-178.1-178.5-179.70110.7V18 K19 F20 C24V18-K22 WeakPolarHBondContact CA-O 3.16Å; K19-K22 PolarHBondContact N-O 3.04Å; K19-K22 PolarHBondContact O-N 2.89Å; F20-K22 PolarHBondContact O-N 3.39Å; K22-C24 PolarHBondContact O-N 3.21Å
23K89.6Confident91.7Very high120 Ų12058.3 Ų58.352%0.52228%0.283SS..EExtended strand (participates in β ladder)trans-60.2131.2164.1-78.8179.6164.2-173.80108.8Q16 E86Q16-K23 HydrophobicContact CG-CB 4.46Å; K23-E86 IonicContact NZ-OE1 2.67Å; K23-E86 PolarHBondContact NZ-OE1 2.93Å; K23-E86 IonicContact NZ-OE2 3.76Å; K23-E86 PolarHBondContact NZ-OE2 3.11Å
24C89.7Confident91.5Very high38 Ų3860.1 Ų60.126%0.25730%0.298SS..EExtended strand (participates in β ladder)trans-148.2164.317456.80000110Q16 H17 K22Q16-C24 WeakPolarHBondContact CA-O 3.35Å; H17-C24 PolarHBondContact CE1-SG 2.76Å; H17-C24 PolarHBondContact N-O 3.35Å; H17-C24 PolarHBondContact ND1-O 3.25Å; H17-C24 PolarHBondContact NE2-SG 3.29Å; H17-C24 PolarHBondContact O-N 3.49Å; H17-C24 PolarHBondContact O-SG 2.77Å; K22-C24 PolarHBondContact O-N 3.21Å
25W91.3Very high91.2Very high57 Ų5759.2 Ų59.222%0.21631%0.308CS..EExtended strand (participates in β ladder)trans-111.1139.9-178.1-66.891.4000110.3Y14 Q15 Q16 S87 C88 P89 A94 L105 A107Y14-W25 WeakPolarHBondContact O-CZ3 3.26Å; Q15-W25 VanDerWaalsContact C-CE3 3.42Å; Q15-W25 WeakPolarHBondContact O-CA 3.3Å; Q16-W25 HydrophobicContact CB-CD2 4.08Å; Q16-W25 HydrophobicContact CB-CE3 3.93Å; Q16-W25 HydrophobicContact CB-CH2 3.98Å; Q16-W25 HydrophobicContact CB-CZ2 4.09Å; Q16-W25 HydrophobicContact CB-CZ3 3.88Å; Q16-W25 HydrophobicContact CG-CD2 4.29Å; Q16-W25 HydrophobicContact CG-CZ2 4.25Å; Q16-W25 VanDerWaalsContact N-CE3 3.3Å; W25-S87 VanDerWaalsContact CE2-O 3.3Å; W25-S87 WeakPolarHBondContact CZ2-O 3.23Å; W25-S87 PolarHBondContact NE1-O 2.9Å; W25-C88 HydrophobicContact CZ2-CB 4Å; W25-P89 HydrophobicContact CB-CG 3.95Å; W25-P89 HydrophobicContact CD2-CG 4.19Å; W25-P89 HydrophobicContact CG-CG 3.87Å; W25-A94 HydrophobicContact CH2-CB 4.32Å; W25-L105 HydrophobicContact CH2-CD2 3.52Å; W25-L105 HydrophobicContact CH2-CG 3.82Å; W25-L105 HydrophobicContact CZ2-CD2 3.67Å; W25-L105 HydrophobicContact CZ2-CG 4.46Å; W25-A107 HydrophobicContact CE3-CB 4.33Å; W25-A107 HydrophobicContact CH2-CB 3.77Å; W25-A107 HydrophobicContact CZ3-CB 3.65Å
26R90.9Very high90.7Very high24 Ų2461.2 Ų61.29%0.09133%0.33CS..EExtended strand (participates in β ladder)trans-116.5140.9168.162.5-178.4-169.9158.87.5110.4Y14 Q15 V28 E47 E68 R70Y14-R26 CarbonylContact C-O 3.53Å; Y14-R26 VanDerWaalsContact CA-O 3.32Å; Y14-R26 WeakPolarHBondContact CA-O 3.44Å; Q15-R26 HydrophobicContact CB-CG 4.37Å; Q15-R26 PolarHBondContact N-O 3.24Å; Q15-R26 PolarHBondContact O-N 3Å; R26-V28 HydrophobicContact CG-CG1 4.15Å; R26-E47 WeakPolarHBondContact CD-OE1 3.46Å; R26-E47 IonicContact NH1-OE1 3.31Å; R26-E68 IonicContact NH1-OE2 3.27Å; R26-E68 PolarHBondContact NH1-OE2 3.28Å; R26-E68 IonicContact NH2-OE2 2.79Å; R26-R70 VanDerWaalsContact NH2-CD 3.35Å
27K92.3Very high89.8Confident61 Ų6166.6 Ų66.627%0.26537%0.368SS..EExtended strand (participates in β ladder)trans-75.2124.7174.5-171.3-177.9-180-178.10108.7I12 Y14 V48 D50I12-K27 HydrophobicContact CD1-CG 4.37Å; I12-K27 HydrophobicContact CG2-CG 3.98Å; Y14-K27 HydrophobicContact CD1-CB 4.07Å; Y14-K27 HydrophobicContact CD1-CG 4.48Å; Y14-K27 HydrophobicContact CE1-CB 3.84Å; Y14-K27 HydrophobicContact CE1-CG 3.93Å; K27-V48 HydrophobicContact CB-CB 4.46Å; K27-V48 HydrophobicContact CD-CB 4.26Å; K27-V48 HydrophobicContact CD-CG1 4.14Å; K27-V48 HydrophobicContact CG-CB 4.12Å; K27-V48 PolarHBondContact O-N 2.82Å; K27-D50 VanDerWaalsContact CD-OD2 3.24Å; K27-D50 WeakPolarHBondContact CD-OD2 3.28Å; K27-D50 IonicContact NZ-OD1 2.67Å; K27-D50 PolarHBondContact NZ-OD1 2.97Å; K27-D50 IonicContact NZ-OD2 3.33Å; K27-D50 PolarHBondContact NZ-OD2 3.19Å
28V93.1Very high89Confident1 Ų167.8 Ų67.81%0.00638%0.381CS..EExtended strand (participates in β ladder)trans-124.8145.8176-550000109.4I12 L13 Q15 R26 W46I12-V28 WeakPolarHBondContact CA-O 3.25Å; L13-V28 HydrophobicContact CB-CG2 3.79Å; L13-V28 PolarHBondContact N-O 3.1Å; L13-V28 WeakPolarHBondContact O-CG2 3.3Å; L13-V28 PolarHBondContact O-N 3.13Å; Q15-V28 HydrophobicContact CB-CG1 4.31Å; R26-V28 HydrophobicContact CG-CG1 4.15Å; V28-W46 CarbonylContact C-O 3.57Å; V28-W46 WeakPolarHBondContact CA-O 3.23Å; V28-W46 WeakPolarHBondContact CB-O 3.45Å
29W93.7Very high88.8Confident86 Ų8664.5 Ų64.533%0.32637%0.366SS..EExtended strand (participates in β ladder)trans-88138.5161.6-169.3-76.4000107.2D10 G11 I12 S45 W46 V48D10-W29 HydrophobicContact CB-CZ2 4.15Å; D10-W29 WeakPolarHBondContact OD2-CZ2 3.46Å; G11-W29 WeakPolarHBondContact O-CA 3.41Å; I12-W29 HydrophobicContact CD1-CE3 3.6Å; I12-W29 HydrophobicContact CD1-CZ3 4.1Å; I12-W29 HydrophobicContact CG1-CE3 4.3Å; I12-W29 HydrophobicContact CG1-CZ3 4.41Å; W29-S45 CarbonylContact O-C 3.55Å; W29-S45 WeakPolarHBondContact O-CA 3.16Å; W29-W46 HydrophobicContact CB-CD2 4.43Å; W29-W46 HydrophobicContact CB-CZ2 3.82Å; W29-W46 AromaticContact CD1-CH2 3.49Å; W29-W46 VanDerWaalsContact CD1-CH2 3.49Å; W29-W46 AromaticContact CD1-CZ2 3.22Å; W29-W46 HydrophobicContact CG-CH2 4.32Å; W29-W46 AromaticContact CG-CZ2 3.65Å; W29-W46 HydrophobicContact CG-CZ2 3.65Å; W29-W46 PolarHBondContact N-O 2.84Å; W29-W46 PolarHBondContact O-N 2.79Å; W29-V48 HydrophobicContact CB-CG2 3.94Å
30A95.4Very high89Confident0 Ų062.9 Ų62.90%037%0.365CS..EExtended strand (participates in β ladder)trans-126.5148.7-179.500000111.4D10 G11 L13 L43 E44 W114D10-A30 WeakPolarHBondContact CA-O 3.38Å; G11-A30 PolarHBondContact N-O 3.4Å; G11-A30 VanDerWaalsContact N-O 3.14Å; G11-A30 PolarHBondContact O-N 3.1Å; L13-A30 HydrophobicContact CD1-CB 3.64Å; L13-A30 HydrophobicContact CG-CB 3.96Å; A30-L43 HydrophobicContact CB-CD1 4.06Å; A30-E44 CarbonylContact C-O 3.52Å; A30-E44 VanDerWaalsContact CA-O 3.23Å; A30-E44 WeakPolarHBondContact CA-O 3.42Å; A30-W114 HydrophobicContact CB-CH2 3.83Å; A30-W114 HydrophobicContact CB-CZ3 4.06Å
31L95.3Very high89.4Confident23 Ų2353.9 Ų53.912%0.1233%0.329CS..EExtended strand (participates in β ladder)trans-127.8126171.3-63.4-176.4000108.8P7 K9 D10 Y33 E44 W46P7-L31 HydrophobicContact CB-CB 4.05Å; P7-L31 HydrophobicContact CB-CD2 4.14Å; P7-L31 HydrophobicContact CB-CG 4.47Å; P7-L31 HydrophobicContact CG-CD1 4.38Å; P7-L31 HydrophobicContact CG-CD2 4Å; K9-L31 CarbonylContact O-C 3.51Å; K9-L31 WeakPolarHBondContact O-CA 3.43Å; D10-L31 HydrophobicContact CB-CD2 3.41Å; D10-L31 VanDerWaalsContact CB-CD2 3.41Å; L31-Y33 HydrophobicContact CB-CD2 4.23Å; L31-Y33 HydrophobicContact CB-CE2 3.63Å; L31-Y33 HydrophobicContact CD1-CE2 4.03Å; L31-Y33 WeakPolarHBondContact CD1-OH 3.46Å; L31-E44 PolarHBondContact N-O 2.73Å; L31-E44 PolarHBondContact O-N 2.77Å; L31-W46 HydrophobicContact CD1-CH2 3.68Å; L31-W46 HydrophobicContact CD1-CZ3 3.93Å; L31-W46 HydrophobicContact CD2-CH2 4.42Å; L31-W46 HydrophobicContact CG-CH2 3.68Å; L31-W46 HydrophobicContact CG-CZ3 3.92Å
32L95.9Very high89.8Confident0 Ų051.7 Ų51.70%030%0.298CS..EExtended strand (participates in β ladder)trans-98.8121.9172.2-172.266.1000108.8P7 I8 K9 L43 L74 W114 P117 I118 L121P7-L32 CarbonylContact C-O 3.54Å; P7-L32 WeakPolarHBondContact CA-O 3.5Å; I8-L32 HydrophobicContact CD1-CD2 3.88Å; I8-L32 HydrophobicContact CD1-CG 4.17Å; I8-L32 HydrophobicContact CG1-CB 4.24Å; I8-L32 HydrophobicContact CG1-CD2 4.12Å; I8-L32 HydrophobicContact CG1-CG 4.02Å; I8-L32 WeakPolarHBondContact CG1-O 3.16Å; I8-L32 PolarHBondContact N-O 3.16Å; K9-L32 HydrophobicContact CB-CB 4.04Å; K9-L32 HydrophobicContact CB-CD2 4.46Å; K9-L32 PolarHBondContact N-O 2.93Å; K9-L32 PolarHBondContact O-N 3.31Å; L32-L43 HydrophobicContact CB-CD1 4.41Å; L32-L43 HydrophobicContact CD1-CB 4.25Å; L32-L43 HydrophobicContact CD1-CD1 4.21Å; L32-L74 HydrophobicContact CD1-CD1 3.69Å; L32-W114 HydrophobicContact CB-CZ3 4.36Å; L32-P117 HydrophobicContact CD2-CB 3.56Å; L32-I118 HydrophobicContact CD1-CG1 3.83Å; L32-I118 HydrophobicContact CD2-CG1 4.07Å; L32-L121 HydrophobicContact CD1-CD1 4.29Å; L32-L121 HydrophobicContact CD2-CD1 4.28Å; L32-L121 HydrophobicContact CG-CD1 4.08Å
33Y94.4Very high90.2Very high27 Ų2744.2 Ų44.211%0.10627%0.265CS..EExtended strand (participates in β ladder)trans-108.6134.3175.2-67.5-90.1000109.7E5 P7 L31 A41 R42 E44E5-Y33 HydrophobicContact CB-CD1 3.95Å; E5-Y33 HydrophobicContact CB-CE1 3.79Å; P7-Y33 HydrophobicContact CB-CD1 4.15Å; P7-Y33 HydrophobicContact CB-CE1 3.91Å; P7-Y33 HydrophobicContact CB-CE2 4.4Å; P7-Y33 HydrophobicContact CG-CE1 4.4Å; L31-Y33 HydrophobicContact CB-CD2 4.23Å; L31-Y33 HydrophobicContact CB-CE2 3.63Å; L31-Y33 HydrophobicContact CD1-CE2 4.03Å; L31-Y33 WeakPolarHBondContact CD1-OH 3.46Å; Y33-A41 VanDerWaalsContact O-CA 3.32Å; Y33-A41 WeakPolarHBondContact O-CA 3.46Å; Y33-R42 HydrophobicContact CD2-CG 4.16Å; Y33-R42 HydrophobicContact CG-CG 4.47Å; Y33-R42 PolarHBondContact N-O 2.76Å; Y33-R42 PolarHBondContact O-N 3.05Å; Y33-E44 HydrophobicContact CD2-CG 4.12Å; Y33-E44 HydrophobicContact CE2-CB 4.39Å; Y33-E44 HydrophobicContact CE2-CG 3.95Å
34A92.3Very high90.5Very high39 Ų3939 Ų3932%0.32224%0.243SC..  trans-76.4157.5166.500000110.6I8 L121I8-A34 HydrophobicContact CG2-CB 3.84Å; A34-L121 HydrophobicContact CB-CD1 4.26Å; A34-L121 HydrophobicContact CB-CD2 3.84Å
35G87.2Confident90.7Very high46 Ų4637.5 Ų37.547%0.47423%0.233SC..  trans-76.7144.8172.200000111.2
36G82.8Confident90.7Very high46 Ų4636 Ų3647%0.47423%0.227SC..BIsolated β-bridgetrans-173.5-171.217900000112.8S38 G39G36-S38 PolarHBondContact O-N 3.06Å; G36-S38 VanDerWaalsContact O-N 3.07Å; G36-G39 PolarHBondContact N-O 2.88Å; G36-G39 PolarHBondContact O-N 3.18Å; G36-G39 VanDerWaalsContact O-N 3.11Å
37P74.3Confident90.7Very high149 Ų14937.9 Ų37.997%0.96824%0.237SC*.THydrogen-bonded Turntrans-58.7-24.5-175.8-26.135.6000114.9
38S73.1Confident90.3Very high61 Ų6136.9 Ų36.943%0.42724%0.236SC..THydrogen-bonded Turntrans-87.2-17.2-180-520000114.6P3 G36P3-S38 WeakPolarHBondContact CG-OG 3.4Å; G36-S38 PolarHBondContact O-N 3.06Å; G36-S38 VanDerWaalsContact O-N 3.07Å
39G83.7Confident89.6Confident27 Ų2747.1 Ų47.128%0.27828%0.275SS..BIsolated β-bridgetrans166177.9-170.600000116E5 G36E5-G39 WeakPolarHBondContact OE1-CA 3.33Å; G36-G39 PolarHBondContact N-O 2.88Å; G36-G39 PolarHBondContact O-N 3.18Å; G36-G39 VanDerWaalsContact O-N 3.11Å
40V91.4Very high87.9Confident74 Ų7448.8 Ų48.845%0.44829%0.29SS..  trans-91.2149-170.8-60.40000113.3R42 R73V40-R42 WeakPolarHBondContact O-CG 3.42Å; V40-R42 PolarHBondContact O-N 2.86Å; V40-R42 PolarHBondContact O-NH1 2.89Å; V40-R73 HydrophobicContact CG2-CG 4.34Å
41A95.1Very high85.5Confident19 Ų1952.3 Ų52.316%0.15733%0.327CS..  trans-60.8123.1173.500000110.7Y33 L74 L121Y33-A41 VanDerWaalsContact O-CA 3.32Å; Y33-A41 WeakPolarHBondContact O-CA 3.46Å; A41-L74 HydrophobicContact CB-CB 4.22Å; A41-L74 HydrophobicContact CB-CD1 4.22Å; A41-L74 PolarHBondContact O-N 2.88Å; A41-L121 HydrophobicContact CB-CB 4.45Å
42R96Very high82.5Confident27 Ų2754.9 Ų54.910%0.10236%0.359CS..EExtended strand (participates in β ladder)trans-160.2150.1-170.764.9-167.5-167.5-87.21.4113.5E5 Y33 V40 E44 V71 I72E5-R42 VanDerWaalsContact CD-NH1 3.33Å; E5-R42 IonicContact OE1-CZ 3.68Å; E5-R42 IonicContact OE1-NH1 2.71Å; E5-R42 PolarHBondContact OE1-NH1 2.76Å; E5-R42 IonicContact OE1-NH2 3.91Å; E5-R42 IonicContact OE2-CZ 2.75Å; E5-R42 VanDerWaalsContact OE2-CZ 3.31Å; E5-R42 IonicContact OE2-NH1 2.64Å; E5-R42 PolarHBondContact OE2-NH1 3.33Å; E5-R42 VanDerWaalsContact OE2-NH1 3.11Å; E5-R42 IonicContact OE2-NH2 3.71Å; E5-R42 PolarHBondContact OE2-NH2 3.48Å; Y33-R42 HydrophobicContact CD2-CG 4.16Å; Y33-R42 HydrophobicContact CG-CG 4.47Å; Y33-R42 PolarHBondContact N-O 2.76Å; Y33-R42 PolarHBondContact O-N 3.05Å; V40-R42 WeakPolarHBondContact O-CG 3.42Å; V40-R42 PolarHBondContact O-N 2.86Å; V40-R42 PolarHBondContact O-NH1 2.89Å; R42-E44 HydrophobicContact CG-CG 4.25Å; R42-E44 IonicContact CZ-OE1 3.47Å; R42-E44 IonicContact NE-OE1 3.58Å; R42-E44 PolarHBondContact NE-OE1 3.49Å; R42-E44 IonicContact NH2-OE1 3.6Å; R42-E44 PolarHBondContact NH2-OE1 3.47Å; R42-V71 HydrophobicContact CB-CG1 4.04Å; R42-V71 HydrophobicContact CG-CG1 4.34Å; R42-I72 CarbonylContact C-O 3.55Å; R42-I72 WeakPolarHBondContact CA-O 3.46Å; R42-I72 WeakPolarHBondContact CB-O 3.44Å
43L96.7Very high80Confident3 Ų364.1 Ų64.12%0.01641%0.407CS..EExtended strand (participates in β ladder)trans-101.2106.8166.7-178.965.7000108.5A30 L32 I72 L74 L97 L106 W114 I118A30-L43 HydrophobicContact CB-CD1 4.06Å; L32-L43 HydrophobicContact CB-CD1 4.41Å; L32-L43 HydrophobicContact CD1-CB 4.25Å; L32-L43 HydrophobicContact CD1-CD1 4.21Å; L43-I72 HydrophobicContact CB-CB 4.49Å; L43-I72 PolarHBondContact N-O 3.13Å; L43-I72 PolarHBondContact O-N 2.69Å; L43-L74 HydrophobicContact CB-CD2 4.44Å; L43-L97 HydrophobicContact CD2-CD2 4.01Å; L43-L106 HydrophobicContact CD2-CD1 4.11Å; L43-W114 HydrophobicContact CD1-CE3 4.44Å; L43-W114 HydrophobicContact CD1-CZ3 3.97Å; L43-I118 HydrophobicContact CD2-CD1 4.2Å
44E95.4Very high77.1Confident10 Ų1066.2 Ų66.25%0.04744%0.437CS..EExtended strand (participates in β ladder)trans-88.9145.1168.8-58.5-160.5-173.700110.1A30 L31 Y33 R42 R69 R70 V71A30-E44 CarbonylContact C-O 3.52Å; A30-E44 VanDerWaalsContact CA-O 3.23Å; A30-E44 WeakPolarHBondContact CA-O 3.42Å; L31-E44 PolarHBondContact N-O 2.73Å; L31-E44 PolarHBondContact O-N 2.77Å; Y33-E44 HydrophobicContact CD2-CG 4.12Å; Y33-E44 HydrophobicContact CE2-CB 4.39Å; Y33-E44 HydrophobicContact CE2-CG 3.95Å; R42-E44 HydrophobicContact CG-CG 4.25Å; R42-E44 IonicContact CZ-OE1 3.47Å; R42-E44 IonicContact NE-OE1 3.58Å; R42-E44 PolarHBondContact NE-OE1 3.49Å; R42-E44 IonicContact NH2-OE1 3.6Å; R42-E44 PolarHBondContact NH2-OE1 3.47Å; E44-R69 IonicContact OE1-NH1 2.73Å; E44-R69 PolarHBondContact OE1-NH1 2.88Å; E44-R69 VanDerWaalsContact OE1-NH1 3.15Å; E44-R69 WeakPolarHBondContact OE2-CD 3.15Å; E44-R69 IonicContact OE2-CZ 2.89Å; E44-R69 IonicContact OE2-NE 2.92Å; E44-R69 IonicContact OE2-NH1 3.29Å; E44-R69 PolarHBondContact OE2-NH1 3.16Å; E44-R70 CarbonylContact C-O 3.59Å; E44-R70 WeakPolarHBondContact CA-O 3.31Å; E44-V71 HydrophobicContact CG-CG1 4.24Å; E44-V71 HydrophobicContact CG-CG2 4.03Å
45S93.9Very high74.5Confident7 Ų769.3 Ų69.35%0.04946%0.463CS..EExtended strand (participates in β ladder)trans-152.3152.317558.90000112.8W29 R69 R70W29-S45 CarbonylContact O-C 3.55Å; W29-S45 WeakPolarHBondContact O-CA 3.16Å; S45-R69 CarbonylContact O-C 3.49Å; S45-R69 WeakPolarHBondContact O-CA 3.47Å; S45-R70 PolarHBondContact N-O 3.46Å; S45-R70 PolarHBondContact O-N 3.24Å
46W92.6Very high72.4Confident25 Ų2572.2 Ų72.210%0.09548%0.482CS..EExtended strand (participates in β ladder)trans-145.7149.9175.358.385.8000111.3V28 W29 L31 V48 R66V28-W46 CarbonylContact C-O 3.57Å; V28-W46 WeakPolarHBondContact CA-O 3.23Å; V28-W46 WeakPolarHBondContact CB-O 3.45Å; W29-W46 HydrophobicContact CB-CD2 4.43Å; W29-W46 HydrophobicContact CB-CZ2 3.82Å; W29-W46 AromaticContact CD1-CH2 3.49Å; W29-W46 VanDerWaalsContact CD1-CH2 3.49Å; W29-W46 AromaticContact CD1-CZ2 3.22Å; W29-W46 HydrophobicContact CG-CH2 4.32Å; W29-W46 AromaticContact CG-CZ2 3.65Å; W29-W46 HydrophobicContact CG-CZ2 3.65Å; W29-W46 PolarHBondContact N-O 2.84Å; W29-W46 PolarHBondContact O-N 2.79Å; L31-W46 HydrophobicContact CD1-CH2 3.68Å; L31-W46 HydrophobicContact CD1-CZ3 3.93Å; L31-W46 HydrophobicContact CD2-CH2 4.42Å; L31-W46 HydrophobicContact CG-CH2 3.68Å; L31-W46 HydrophobicContact CG-CZ3 3.92Å; W46-V48 PolarHBondContact O-N 3.1Å; W46-R66 HydrophobicContact CD2-CB 4.44Å; W46-R66 HydrophobicContact CG-CB 4.04Å
47E89.5Confident70.5Confident65 Ų6574 Ų7430%0.30450%0.5SS..EExtended strand (participates in β ladder)trans-64.3130.2-179.4-168.8166-133.200111.8R26R26-E47 WeakPolarHBondContact CD-OE1 3.46Å; R26-E47 IonicContact NH1-OE1 3.31Å
48V84.8Confident68.6Low40 Ų4072.2 Ų72.224%0.24248%0.483CS..  trans-87.1116.7172.91750000107.9I12 K27 W29 W46 D50I12-V48 HydrophobicContact CD1-CG2 4.14Å; K27-V48 HydrophobicContact CB-CB 4.46Å; K27-V48 HydrophobicContact CD-CB 4.26Å; K27-V48 HydrophobicContact CD-CG1 4.14Å; K27-V48 HydrophobicContact CG-CB 4.12Å; K27-V48 PolarHBondContact O-N 2.82Å; W29-V48 HydrophobicContact CB-CG2 3.94Å; W46-V48 PolarHBondContact O-N 3.1Å; V48-D50 PolarHBondContact O-N 3.11Å
49R77.8Confident67.5Low216 Ų21681.4 Ų81.482%0.81551%0.508SS*.  trans-80.1102.9171.4-65-177.6179.6-177.20.4108.7G51R49-G51 PolarHBondContact O-N 2.99Å
50D59.3Low65.6Low120 Ų12085.4 Ų85.464%0.64253%0.531SS*.  trans-71.293.6170.6-75.4-38.3000109.5K27 V48K27-D50 VanDerWaalsContact CD-OD2 3.24Å; K27-D50 WeakPolarHBondContact CD-OD2 3.28Å; K27-D50 IonicContact NZ-OD1 2.67Å; K27-D50 PolarHBondContact NZ-OD1 2.97Å; K27-D50 IonicContact NZ-OD2 3.33Å; K27-D50 PolarHBondContact NZ-OD2 3.19Å; V48-D50 PolarHBondContact O-N 3.11Å
51G44.3Very low63.1Low75 Ų7584.4 Ų84.477%0.77353%0.531SS*.  trans171.6102177.300000114.5R49R49-G51 PolarHBondContact O-N 2.99Å
52G32.4Very low60.6Low77 Ų7785.6 Ų85.679%0.79455%0.545SS*.  trans142.6111.5170.100000113.2G54G52-G54 PolarHBondContact O-N 3.49Å
53L43.9Very low58.4Low193 Ų19389.8 Ų89.8100%1.0158%0.576SS**  trans-70.4119.5166.4-94.866.7000108.8
54G33.2Very low55.9Low72 Ų7293.4 Ų93.474%0.74261%0.614SS**  trans-139.7125.4170.800000108.8G52G52-G54 PolarHBondContact O-N 3.49Å
55A37Very low53.8Low104 Ų104104.8 Ų104.886%0.8666%0.657SS**  trans-75.8167-174.700000112.8G57A55-G57 PolarHBondContact O-N 2.96Å
56A43.9Very low52.2Low107 Ų107110.3 Ų110.388%0.88468%0.676SS**SBendtrans-17.5119.117300000117.6
57G42.4Very low50.8Low82 Ų82110.1 Ų110.185%0.84568%0.682SS**  trans99.680.6148.500000117.4A55A55-G57 PolarHBondContact O-N 2.96Å
58D34.9Very low50.1Low113 Ų113112.1 Ų112.160%0.60469%0.692SS**  trans-133.5105.1148.7-172-11.7000109.7S60 A61D58-S60 VanDerWaalsContact OD1-CA 3.31Å; D58-S60 WeakPolarHBondContact OD1-CA 3.42Å; D58-S60 PolarHBondContact OD1-N 2.82Å; D58-A61 PolarHBondContact OD1-N 2.8Å
59R50.1Low50.2Low254 Ų254117.6 Ų117.696%0.95871%0.708SS**SBendtrans-101.429.3171.8-79-162.7-85.9-165.7-5.4111.9
60S44Very low50.8Low110 Ų110110.9 Ų110.977%0.76968%0.683SS**  trans-140-2.5-176.8-59.30000114.9D58 G62D58-S60 VanDerWaalsContact OD1-CA 3.31Å; D58-S60 WeakPolarHBondContact OD1-CA 3.42Å; D58-S60 PolarHBondContact OD1-N 2.82Å; S60-G62 PolarHBondContact O-N 2.83Å
61A37.9Very low52.4Low54 Ų54108.1 Ų108.145%0.44667%0.67SS.*  trans-62.895174.100000113.8D58 R66D58-A61 PolarHBondContact OD1-N 2.8Å; A61-R66 PolarHBondContact O-NH2 2.94Å
62G42.8Very low54.9Low43 Ų43105 Ų10544%0.44364%0.636SS.*  trans-62.1177.5-179.200000116S60 G64S60-G62 PolarHBondContact O-N 2.83Å; G62-G64 VanDerWaalsContact C-N 3.31Å; G62-G64 PolarHBondContact O-N 3.2Å
63P50.3Low57.9Low115 Ų115106.8 Ų106.875%0.74762%0.618SS**G310 helixtrans-65-25.8-165.122.8-33.3000115.2R65 R66P63-R65 PolarHBondContact O-N 2.92Å; P63-R66 PolarHBondContact O-N 3.32Å; P63-R66 VanDerWaalsContact O-N 3.14Å
64G43.9Very low60.4Low80 Ų8097.6 Ų97.683%0.82557%0.57SS**G310 helixtrans-67.72-168.700000118.2G62G62-G64 VanDerWaalsContact C-N 3.31Å; G62-G64 PolarHBondContact O-N 3.2Å
65R50.6Low63.3Low249 Ų24998.1 Ų98.194%0.9457%0.567SS**G310 helixtrans-117.53.9172.7-70.7-171.6-177.7-95.43.6114.3P63P63-R65 PolarHBondContact O-N 2.92Å
66R59.6Low66.1Low122 Ų12295.5 Ų95.546%0.4654%0.539SS..SBendtrans-79.9157.2175.6-64.4168.4-163.7-95.2-8.2109.4W46 A61 P63W46-R66 HydrophobicContact CD2-CB 4.44Å; W46-R66 HydrophobicContact CG-CB 4.04Å; A61-R66 PolarHBondContact O-NH2 2.94Å; P63-R66 PolarHBondContact O-N 3.32Å; P63-R66 VanDerWaalsContact O-N 3.14Å
67G63.4Low68.6Low22 Ų2291 Ų9123%0.22750%0.5CS..  trans-68.1-169.9-178.600000113.3R69G67-R69 PolarHBondContact O-N 2.8Å
68E76.4Confident71.1Confident107 Ų10791.2 Ų91.250%0.549%0.485SS..  trans-49.1107.2171.8-179.6-152.9-143.700110.2R26 R70R26-E68 IonicContact NH1-OE2 3.27Å; R26-E68 PolarHBondContact NH1-OE2 3.28Å; R26-E68 IonicContact NH2-OE2 2.79Å; E68-R70 VanDerWaalsContact CD-NE 3.31Å; E68-R70 VanDerWaalsContact CD-NH2 3.31Å; E68-R70 PolarHBondContact O-N 3.09Å; E68-R70 IonicContact OE1-CZ 3.99Å; E68-R70 IonicContact OE1-NE 2.62Å; E68-R70 PolarHBondContact OE1-NE 3.44Å; E68-R70 IonicContact OE1-NH2 2.78Å; E68-R70 PolarHBondContact OE1-NH2 3.38Å; E68-R70 IonicContact OE2-CZ 3Å; E68-R70 IonicContact OE2-NE 2.69Å; E68-R70 PolarHBondContact OE2-NE 3.25Å; E68-R70 IonicContact OE2-NH2 3.5Å; E68-R70 PolarHBondContact OE2-NH2 2.97Å
69R86.1Confident74Confident155 Ų15587.3 Ų87.359%0.58547%0.467SS*.  trans-81.4114.7-179.8-174.4175.774.8144.4-5.4109.1E44 S45 G67 V71E44-R69 IonicContact OE1-NH1 2.73Å; E44-R69 PolarHBondContact OE1-NH1 2.88Å; E44-R69 VanDerWaalsContact OE1-NH1 3.15Å; E44-R69 WeakPolarHBondContact OE2-CD 3.15Å; E44-R69 IonicContact OE2-CZ 2.89Å; E44-R69 IonicContact OE2-NE 2.92Å; E44-R69 IonicContact OE2-NH1 3.29Å; E44-R69 PolarHBondContact OE2-NH1 3.16Å; S45-R69 CarbonylContact O-C 3.49Å; S45-R69 WeakPolarHBondContact O-CA 3.47Å; G67-R69 PolarHBondContact O-N 2.8Å; R69-V71 HydrophobicContact CG-CG2 4.38Å
70R90.4Very high76.3Confident75 Ų7576 Ų7628%0.28343%0.426SS..EExtended strand (participates in β ladder)trans-99.3132.8172.9-61.2-169.7178.2-163.2-11.5109.2R26 E44 S45 E68R26-R70 VanDerWaalsContact NH2-CD 3.35Å; E44-R70 CarbonylContact C-O 3.59Å; E44-R70 WeakPolarHBondContact CA-O 3.31Å; S45-R70 PolarHBondContact N-O 3.46Å; S45-R70 PolarHBondContact O-N 3.24Å; E68-R70 VanDerWaalsContact CD-NE 3.31Å; E68-R70 VanDerWaalsContact CD-NH2 3.31Å; E68-R70 PolarHBondContact O-N 3.09Å; E68-R70 IonicContact OE1-CZ 3.99Å; E68-R70 IonicContact OE1-NE 2.62Å; E68-R70 PolarHBondContact OE1-NE 3.44Å; E68-R70 IonicContact OE1-NH2 2.78Å; E68-R70 PolarHBondContact OE1-NH2 3.38Å; E68-R70 IonicContact OE2-CZ 3Å; E68-R70 IonicContact OE2-NE 2.69Å; E68-R70 PolarHBondContact OE2-NE 3.25Å; E68-R70 IonicContact OE2-NH2 3.5Å; E68-R70 PolarHBondContact OE2-NH2 2.97Å
71V93.9Very high78.8Confident61 Ų6175.1 Ų75.137%0.3741%0.412SS..EExtended strand (participates in β ladder)trans-119.3133.5176.8-175.10000107.8R42 E44 R69R42-V71 HydrophobicContact CB-CG1 4.04Å; R42-V71 HydrophobicContact CG-CG1 4.34Å; E44-V71 HydrophobicContact CG-CG1 4.24Å; E44-V71 HydrophobicContact CG-CG2 4.03Å; R69-V71 HydrophobicContact CG-CG2 4.38Å
72I95.6Very high81.5Confident11 Ų1175.8 Ų75.86%0.05641%0.412CS..EExtended strand (participates in β ladder)trans-118.3115.9169.7-61.6170.4000106R42 L43 L97 T99 H104R42-I72 CarbonylContact C-O 3.55Å; R42-I72 WeakPolarHBondContact CA-O 3.46Å; R42-I72 WeakPolarHBondContact CB-O 3.44Å; L43-I72 HydrophobicContact CB-CB 4.49Å; L43-I72 PolarHBondContact N-O 3.13Å; L43-I72 PolarHBondContact O-N 2.69Å; I72-L97 HydrophobicContact CD1-CD2 3.74Å; I72-L97 HydrophobicContact CG2-CD2 4.28Å; I72-T99 HydrophobicContact CG2-CG2 3.6Å; I72-H104 HydrophobicContact CD1-CB 4.37Å
73R95.8Very high83.9Confident114 Ų11474.4 Ų74.443%0.4340%0.397SS..EExtended strand (participates in β ladder)trans-77137173-57.416163.3-128.36.4107.5V40 A75 D76V40-R73 HydrophobicContact CG2-CG 4.34Å; R73-A75 VanDerWaalsContact C-N 3.27Å; R73-A75 PolarHBondContact O-N 2.9Å; R73-D76 WeakPolarHBondContact CB-OD2 3.41Å; R73-D76 WeakPolarHBondContact CD-OD2 3.21Å; R73-D76 IonicContact CZ-OD1 3.18Å; R73-D76 IonicContact CZ-OD2 3.38Å; R73-D76 IonicContact NE-OD2 3.64Å; R73-D76 VanDerWaalsContact NH1-CG 3.28Å; R73-D76 IonicContact NH1-OD1 2.77Å; R73-D76 PolarHBondContact NH1-OD1 3.14Å; R73-D76 IonicContact NH1-OD2 2.69Å; R73-D76 PolarHBondContact NH1-OD2 3.39Å; R73-D76 WeakPolarHBondContact O-CB 3.24Å; R73-D76 PolarHBondContact O-N 3.06Å
74L96.1Very high85.6Confident0 Ų074.5 Ų74.50%039%0.391CS..G310 helixtrans-77.5-18.1-173.5-59.6174.9000112.5L32 A41 L43 D76 C77 I118 L121 A122L32-L74 HydrophobicContact CD1-CD1 3.69Å; A41-L74 HydrophobicContact CB-CB 4.22Å; A41-L74 HydrophobicContact CB-CD1 4.22Å; A41-L74 PolarHBondContact O-N 2.88Å; L43-L74 HydrophobicContact CB-CD2 4.44Å; L74-D76 PolarHBondContact O-N 3.47Å; L74-C77 WeakPolarHBondContact O-CB 3.32Å; L74-C77 PolarHBondContact O-N 3.29Å; L74-I118 HydrophobicContact CD2-CG2 4.07Å; L74-L121 HydrophobicContact CD1-CB 3.46Å; L74-L121 VanDerWaalsContact CD1-CB 3.46Å; L74-L121 HydrophobicContact CD1-CD1 3.83Å; L74-L121 HydrophobicContact CD1-CG 4.33Å; L74-A122 HydrophobicContact CB-CB 4.23Å; L74-A122 WeakPolarHBondContact O-CA 3.42Å; L74-A122 WeakPolarHBondContact O-CB 3.43Å
75A93.9Very high87.2Confident82 Ų8274.6 Ų74.668%0.67839%0.392SS*.G310 helixtrans-66.9-20165.800000113.6R73 C77R73-A75 VanDerWaalsContact C-N 3.27Å; R73-A75 PolarHBondContact O-N 2.9Å; A75-C77 VanDerWaalsContact C-N 3.32Å
76D95.5Very high88.7Confident49 Ų4965.7 Ų65.726%0.26236%0.361SS..G310 helixtrans-92.13.7177.9-54.3-25.6000111.3R73 L74 T99 T100R73-D76 WeakPolarHBondContact CB-OD2 3.41Å; R73-D76 WeakPolarHBondContact CD-OD2 3.21Å; R73-D76 IonicContact CZ-OD1 3.18Å; R73-D76 IonicContact CZ-OD2 3.38Å; R73-D76 IonicContact NE-OD2 3.64Å; R73-D76 VanDerWaalsContact NH1-CG 3.28Å; R73-D76 IonicContact NH1-OD1 2.77Å; R73-D76 PolarHBondContact NH1-OD1 3.14Å; R73-D76 IonicContact NH1-OD2 2.69Å; R73-D76 PolarHBondContact NH1-OD2 3.39Å; R73-D76 WeakPolarHBondContact O-CB 3.24Å; R73-D76 PolarHBondContact O-N 3.06Å; L74-D76 PolarHBondContact O-N 3.47Å; D76-T99 CarbonylContact O-C 3.52Å; D76-T99 WeakPolarHBondContact O-CA 3.42Å; D76-T99 VanDerWaalsContact O-CB 3.29Å; D76-T99 WeakPolarHBondContact O-CB 3.49Å; D76-T100 PolarHBondContact O-N 3.2Å
77C96Very high89.9Confident12 Ų1264.8 Ų64.88%0.08137%0.373CS..EExtended strand (participates in β ladder)trans-86128.4-179.4-68.90000112.2L74 A75 L97 T98 A122 F123L74-C77 WeakPolarHBondContact O-CB 3.32Å; L74-C77 PolarHBondContact O-N 3.29Å; A75-C77 VanDerWaalsContact C-N 3.32Å; C77-L97 HydrophobicContact CB-CD1 4.46Å; C77-T98 CarbonylContact C-O 3.56Å; C77-T98 WeakPolarHBondContact CA-O 3.41Å; C77-A122 HydrophobicContact CB-CB 3.89Å; C77-F123 HydrophobicContact CB-CZ 4.48Å; C77-F123 WeakPolarHBondContact O-CE1 2.97Å
78V96.6Very high90.9Very high87 Ų8766 Ų6653%0.52738%0.378SS..EExtended strand (participates in β ladder)trans-98.6-36.6-179.9179.40000111.3T98 T100V78-T98 HydrophobicContact CB-CG2 4.2Å; V78-T98 PolarHBondContact N-O 3.01Å; V78-T100 HydrophobicContact CG2-CG2 3.87Å
79S96.1Very high91.4Very high32 Ų3262.3 Ų62.322%0.22436%0.363CS..EExtended strand (participates in β ladder)trans-157.9154.4175.865.70000113.4T98S79-T98 PolarHBondContact N-O 3.11Å; S79-T98 PolarHBondContact O-N 2.94Å; S79-T98 VanDerWaalsContact OG-CB 3.32Å; S79-T98 WeakPolarHBondContact OG-CB 3.47Å; S79-T98 PolarHBondContact OG-OG1 3.31Å
80V96.8Very high91.3Very high15 Ų1566 Ų669%0.09138%0.377CS..EExtended strand (participates in β ladder)trans-131.9109.5175.3-176.30000107.5L96 L97 M115 I118 C119 F123V80-L96 WeakPolarHBondContact CA-O 3.43Å; V80-L97 HydrophobicContact CG2-CD1 3.72Å; V80-M115 HydrophobicContact CG1-CB 4.27Å; V80-M115 HydrophobicContact CG1-CE 4.18Å; V80-M115 HydrophobicContact CG1-CG 4.21Å; V80-I118 HydrophobicContact CG2-CG2 3.89Å; V80-C119 VanDerWaalsContact CB-SG 3.54Å; V80-F123 HydrophobicContact CG2-CE2 3.91Å; V80-F123 HydrophobicContact CG2-CZ 4.5Å
81L96.4Very high91.1Very high92 Ų9268.9 Ų68.948%0.48240%0.398SS..EExtended strand (participates in β ladder)trans-129.4149.2-169.9-65.2174.7000112.5F95 L96L81-F95 CarbonylContact O-C 3.59Å; L81-F95 VanDerWaalsContact O-CA 3.26Å; L81-F95 WeakPolarHBondContact O-CA 3.35Å; L81-F95 WeakPolarHBondContact O-CB 3.44Å; L81-L96 PolarHBondContact N-O 2.91Å; L81-L96 PolarHBondContact O-N 2.92Å
82P95.3Very high91Very high68 Ų6866.9 Ų66.944%0.44239%0.386SS..EExtended strand (participates in β ladder)trans-58.9145.4165.9-19.732.5000111D84 M115P82-D84 WeakPolarHBondContact CB-OD2 3.49Å; P82-M115 HydrophobicContact CG-CE 4.11Å
83A92.6Very high90.9Very high15 Ų1568.5 Ų68.512%0.12440%0.399CS..  trans-127.951179.500000112.3G85 E86 A94 L105A83-G85 PolarHBondContact O-N 3.09Å; A83-G85 VanDerWaalsContact O-N 3.08Å; A83-E86 PolarHBondContact O-N 2.86Å; A83-E86 VanDerWaalsContact O-N 3.11Å; A83-A94 HydrophobicContact CB-CB 3.91Å; A83-A94 PolarHBondContact N-O 2.75Å; A83-A94 VanDerWaalsContact N-O 3.11Å; A83-L105 HydrophobicContact CB-CD1 3.57Å
84D85.8Confident90.8Very high116 Ų11663.2 Ų63.262%0.6238%0.379SS*.THydrogen-bonded Turntrans-60.3-18.5-173.2-62-99.2000115P82 R111P82-D84 WeakPolarHBondContact CB-OD2 3.49Å; D84-R111 IonicContact OD1-CZ 3.79Å; D84-R111 VanDerWaalsContact OD1-CZ 3.27Å; D84-R111 IonicContact OD1-NH1 2.79Å; D84-R111 PolarHBondContact OD1-NH1 3.38Å; D84-R111 IonicContact OD1-NH2 2.78Å; D84-R111 PolarHBondContact OD1-NH2 3.4Å; D84-R111 IonicContact OD2-CZ 3.81Å; D84-R111 IonicContact OD2-NH1 2.95Å; D84-R111 PolarHBondContact OD2-NH1 2.94Å; D84-R111 IonicContact OD2-NH2 3.96Å
85G77.5Confident90.9Very high83 Ų8363.2 Ų63.286%0.85638%0.379SS*.THydrogen-bonded Turntrans-86.7-5.3176.400000115.7A83A83-G85 PolarHBondContact O-N 3.09Å; A83-G85 VanDerWaalsContact O-N 3.08Å
86E83.6Confident91Very high62 Ų6261.8 Ų61.829%0.2936%0.36SS..SBendtrans-94.4133.7-178.5-78.7-78.5157.100112.4Q16 K23 A83 C88 A94 L105Q16-E86 PolarHBondContact NE2-OE2 2.86Å; K23-E86 IonicContact NZ-OE1 2.67Å; K23-E86 PolarHBondContact NZ-OE1 2.93Å; K23-E86 IonicContact NZ-OE2 3.76Å; K23-E86 PolarHBondContact NZ-OE2 3.11Å; A83-E86 PolarHBondContact O-N 2.86Å; A83-E86 VanDerWaalsContact O-N 3.11Å; E86-C88 PolarHBondContact O-N 3.04Å; E86-C88 VanDerWaalsContact O-N 3.16Å; E86-A94 HydrophobicContact CB-CB 4.42Å; E86-L105 HydrophobicContact CB-CD1 4.48Å; E86-L105 HydrophobicContact CB-CD2 3.77Å; E86-L105 HydrophobicContact CG-CD1 4.06Å; E86-L105 HydrophobicContact CG-CD2 3.61Å
87S83.9Confident91.1Very high102 Ų10259.5 Ų59.571%0.71335%0.348SS*.  trans-63.9115.4173.4179.80000110.5W25W25-S87 VanDerWaalsContact CE2-O 3.3Å; W25-S87 WeakPolarHBondContact CZ2-O 3.23Å; W25-S87 PolarHBondContact NE1-O 2.9Å
88C85.3Confident91.1Very high47 Ų4760.1 Ų60.132%0.31835%0.351SS..  trans-118.5166.2-178.155.80000112.8W25 E86 T92 A94 A107W25-C88 HydrophobicContact CZ2-CB 4Å; E86-C88 PolarHBondContact O-N 3.04Å; E86-C88 VanDerWaalsContact O-N 3.16Å; C88-T92 PolarHBondContact SG-O 2.9Å; C88-T92 VanDerWaalsContact SG-O 3.34Å; C88-A94 HydrophobicContact CB-CB 4.2Å; C88-A107 HydrophobicContact CB-CB 4.14Å
89P85.9Confident91.1Very high30 Ų3056.5 Ų56.520%0.19533%0.329CS..  trans-58.5155.6174.5-25.636.6000113.1Y14 W25 T92Y14-P89 HydrophobicContact CD1-CG 3.99Å; Y14-P89 HydrophobicContact CD2-CB 4.46Å; Y14-P89 HydrophobicContact CD2-CG 4.18Å; Y14-P89 HydrophobicContact CG-CB 4.46Å; Y14-P89 HydrophobicContact CG-CG 3.79Å; W25-P89 HydrophobicContact CB-CG 3.95Å; W25-P89 HydrophobicContact CD2-CG 4.19Å; W25-P89 HydrophobicContact CG-CG 3.87Å; P89-T92 HydrophobicContact CB-CG2 4.36Å; P89-T92 WeakPolarHBondContact CD-OG1 3.45Å; P89-T92 PolarHBondContact O-N 3.38Å; P89-T92 PolarHBondContact O-OG1 2.89Å
90R84.1Confident91.1Very high232 Ų23259.9 Ų59.988%0.87535%0.349SS*.THydrogen-bonded Turntrans-51.5140.7176-68.4-179.1-179.2-94.80.7110.9T92R90-T92 PolarHBondContact O-N 3.48Å
91D86.1Confident90.9Very high137 Ų13766.4 Ų66.473%0.73338%0.378SS*.THydrogen-bonded Turntrans56.730.4176-42.6-47.8000113.5Q109D91-Q109 WeakPolarHBondContact O-CA 3.49Å; D91-Q109 WeakPolarHBondContact O-CG 3.35Å
92T91.5Very high90.8Very high18 Ų1868.1 Ų68.111%0.1138%0.378CS..  trans-129.2160.4171.670.70000111.5Y14 C88 P89 R90 A108Y14-T92 HydrophobicContact CD2-CG2 3.89Å; Y14-T92 HydrophobicContact CE2-CG2 3.78Å; C88-T92 PolarHBondContact SG-O 2.9Å; C88-T92 VanDerWaalsContact SG-O 3.34Å; P89-T92 HydrophobicContact CB-CG2 4.36Å; P89-T92 WeakPolarHBondContact CD-OG1 3.45Å; P89-T92 PolarHBondContact O-N 3.38Å; P89-T92 PolarHBondContact O-OG1 2.89Å; R90-T92 PolarHBondContact O-N 3.48Å; T92-A108 WeakPolarHBondContact CA-O 3.49Å; T92-A108 WeakPolarHBondContact CB-O 3.27Å
93S93.3Very high90.8Very high46 Ų4668.1 Ų68.132%0.32238%0.38SS..EExtended strand (participates in β ladder)trans-123.6138.5170.3-49.30000109.9A107 A108S93-A107 WeakPolarHBondContact O-CA 3.31Å; S93-A108 PolarHBondContact N-O 2.86Å; S93-A108 PolarHBondContact O-N 2.91Å; S93-A108 VanDerWaalsContact O-N 3.14Å
94A95.3Very high90.9Very high3 Ų368 Ų683%0.02538%0.377CS..EExtended strand (participates in β ladder)trans-82.4153.4-179.700000113.3W25 A83 E86 C88 L106 A107 R111W25-A94 HydrophobicContact CH2-CB 4.32Å; A83-A94 HydrophobicContact CB-CB 3.91Å; A83-A94 PolarHBondContact N-O 2.75Å; A83-A94 VanDerWaalsContact N-O 3.11Å; E86-A94 HydrophobicContact CB-CB 4.42Å; C88-A94 HydrophobicContact CB-CB 4.2Å; A94-L106 CarbonylContact C-O 3.45Å; A94-L106 VanDerWaalsContact CA-O 3.26Å; A94-L106 WeakPolarHBondContact CA-O 3.29Å; A94-A107 HydrophobicContact CB-CB 4.35Å; A94-R111 PolarHBondContact O-NH1 3.41Å
95F96.9Very high91.3Very high0 Ų063.3 Ų63.30%035%0.352CS..EExtended strand (participates in β ladder)trans-145.1148.4170.166.2-81.6000110.2L13 L81 L106 A108 R111 W114 M115 I118L13-F95 HydrophobicContact CD2-CE1 4.33Å; L13-F95 HydrophobicContact CD2-CZ 4.39Å; L81-F95 CarbonylContact O-C 3.59Å; L81-F95 VanDerWaalsContact O-CA 3.26Å; L81-F95 WeakPolarHBondContact O-CA 3.35Å; L81-F95 WeakPolarHBondContact O-CB 3.44Å; F95-L106 HydrophobicContact CD1-CB 4.13Å; F95-L106 HydrophobicContact CD2-CB 4.27Å; F95-L106 HydrophobicContact CE1-CB 3.66Å; F95-L106 HydrophobicContact CE2-CB 3.83Å; F95-L106 HydrophobicContact CE2-CD1 3.71Å; F95-L106 HydrophobicContact CE2-CG 4.37Å; F95-L106 HydrophobicContact CG-CB 4.42Å; F95-L106 HydrophobicContact CZ-CB 3.51Å; F95-L106 HydrophobicContact CZ-CD1 3.78Å; F95-L106 HydrophobicContact CZ-CG 4.29Å; F95-L106 PolarHBondContact N-O 2.86Å; F95-L106 PolarHBondContact O-N 3.04Å; F95-A108 HydrophobicContact CE1-CB 4.34Å; F95-R111 HydrophobicContact CD1-CB 4.33Å; F95-W114 HydrophobicContact CE1-CB 4.5Å; F95-W114 HydrophobicContact CZ-CB 4.24Å; F95-M115 HydrophobicContact CB-CE 4.14Å; F95-M115 HydrophobicContact CB-CG 3.84Å; F95-M115 HydrophobicContact CB-SD 3.54Å; F95-M115 VanDerWaalsContact CB-SD 3.54Å; F95-M115 HydrophobicContact CD1-CG 4.31Å; F95-M115 HydrophobicContact CD2-CG 3.83Å; F95-M115 HydrophobicContact CE2-CG 4.42Å; F95-M115 HydrophobicContact CG-CG 3.76Å; F95-M115 HydrophobicContact CG-SD 4.13Å; F95-I118 HydrophobicContact CE2-CD1 4.16Å; F95-I118 HydrophobicContact CZ-CD1 4.45Å
96L96.5Very high92.2Very high52 Ų5259.6 Ų59.627%0.27231%0.312SS..EExtended strand (participates in β ladder)trans-102.9124.5178.8-168.169.4000109.5V80 L81 L105V80-L96 WeakPolarHBondContact CA-O 3.43Å; L81-L96 PolarHBondContact N-O 2.91Å; L81-L96 PolarHBondContact O-N 2.92Å; L96-L105 HydrophobicContact CB-CD1 4.3Å; L96-L105 HydrophobicContact CD1-CB 4.18Å; L96-L105 HydrophobicContact CD1-CD1 3.8Å
97L96.9Very high92.8Very high0 Ų056.6 Ų56.60%030%0.298CS..EExtended strand (participates in β ladder)trans-109.199.2174.4177.863.4000108.3L43 I72 C77 V80 H104 L106 I118L43-L97 HydrophobicContact CD2-CD2 4.01Å; I72-L97 HydrophobicContact CD1-CD2 3.74Å; I72-L97 HydrophobicContact CG2-CD2 4.28Å; C77-L97 HydrophobicContact CB-CD1 4.46Å; V80-L97 HydrophobicContact CG2-CD1 3.72Å; L97-H104 HydrophobicContact CB-CB 4.27Å; L97-H104 PolarHBondContact N-O 2.94Å; L97-H104 PolarHBondContact O-N 3.35Å; L97-L106 HydrophobicContact CB-CD1 4.25Å; L97-L106 HydrophobicContact CD2-CD1 3.95Å; L97-I118 HydrophobicContact CD1-CG2 3.93Å
98T97.3Very high93.3Very high25 Ų2551.8 Ų51.815%0.15327%0.265CS..EExtended strand (participates in β ladder)trans-86.2128178.1-53.40000109.8C77 V78 S79 S103C77-T98 CarbonylContact C-O 3.56Å; C77-T98 WeakPolarHBondContact CA-O 3.41Å; V78-T98 HydrophobicContact CB-CG2 4.2Å; V78-T98 PolarHBondContact N-O 3.01Å; S79-T98 PolarHBondContact N-O 3.11Å; S79-T98 PolarHBondContact O-N 2.94Å; S79-T98 VanDerWaalsContact OG-CB 3.32Å; S79-T98 WeakPolarHBondContact OG-CB 3.47Å; S79-T98 PolarHBondContact OG-OG1 3.31Å; T98-S103 PolarHBondContact OG1-OG 2.96Å
99T96.6Very high93.7Very high11 Ų1156 Ų567%0.06728%0.28CS..EExtended strand (participates in β ladder)trans-109.5168.2169.265.10000110.2I72 D76 E101 R102I72-T99 HydrophobicContact CG2-CG2 3.6Å; D76-T99 CarbonylContact O-C 3.52Å; D76-T99 WeakPolarHBondContact O-CA 3.42Å; D76-T99 VanDerWaalsContact O-CB 3.29Å; D76-T99 WeakPolarHBondContact O-CB 3.49Å; T99-E101 PolarHBondContact O-N 3.34Å; T99-R102 PolarHBondContact N-O 2.87Å; T99-R102 PolarHBondContact O-N 2.74Å; T99-R102 PolarHBondContact OG1-N 2.83Å; T99-R102 PolarHBondContact OG1-O 3.21Å
100T95.4Very high93.9Very high104 Ų10460.6 Ų60.664%0.63830%0.298SS*.SBendtrans-55.9-30.7172.650.60000113.3D76 V78D76-T100 PolarHBondContact O-N 3.2Å; V78-T100 HydrophobicContact CG2-CG2 3.87Å
101E93.7Very high94.3Very high151 Ų15151.8 Ų51.871%0.70627%0.265SS*.SBendtrans-83.6-41.3177.5-62.5-174.716300113.7T99T99-E101 PolarHBondContact O-N 3.34Å
102R93.9Very high94.7Very high128 Ų12850.8 Ų50.848%0.48326%0.256SS..  trans-170.9161.7-168.461.2-175.3171.4-142-21.7113.4T99 H104T99-R102 PolarHBondContact N-O 2.87Å; T99-R102 PolarHBondContact O-N 2.74Å; T99-R102 PolarHBondContact OG1-N 2.83Å; T99-R102 PolarHBondContact OG1-O 3.21Å; R102-H104 PolarHBondContact NE-CE1 2.8Å; R102-H104 PolarHBondContact NE-NE2 2.91Å
103S94.4Very high94.8Very high69 Ų6952 Ų5248%0.48327%0.268SS..EExtended strand (participates in β ladder)trans-88.2135.8167.4-50.90000112.7T98T98-S103 PolarHBondContact OG1-OG 2.96Å
104H94.3Very high94.9Very high13 Ų1350.5 Ų50.56%0.0626%0.255CS..EExtended strand (participates in β ladder)trans-110.6110.9174.4-70-97.7000109.5I72 L97 R102I72-H104 HydrophobicContact CD1-CB 4.37Å; L97-H104 HydrophobicContact CB-CB 4.27Å; L97-H104 PolarHBondContact N-O 2.94Å; L97-H104 PolarHBondContact O-N 3.35Å; R102-H104 PolarHBondContact NE-CE1 2.8Å; R102-H104 PolarHBondContact NE-NE2 2.91Å
105L95.3Very high94.9Very high17 Ų1750.7 Ų50.79%0.08926%0.256CS..EExtended strand (participates in β ladder)trans-82.8122.9170.6-166.280.3000110.1Q16 W25 A83 E86 L96Q16-L105 HydrophobicContact CB-CB 4.03Å; Q16-L105 HydrophobicContact CB-CD2 3.99Å; Q16-L105 HydrophobicContact CB-CG 4.47Å; Q16-L105 HydrophobicContact CG-CD2 4.33Å; Q16-L105 PolarHBondContact N-O 2.94Å; W25-L105 HydrophobicContact CH2-CD2 3.52Å; W25-L105 HydrophobicContact CH2-CG 3.82Å; W25-L105 HydrophobicContact CZ2-CD2 3.67Å; W25-L105 HydrophobicContact CZ2-CG 4.46Å; A83-L105 HydrophobicContact CB-CD1 3.57Å; E86-L105 HydrophobicContact CB-CD1 4.48Å; E86-L105 HydrophobicContact CB-CD2 3.77Å; E86-L105 HydrophobicContact CG-CD1 4.06Å; E86-L105 HydrophobicContact CG-CD2 3.61Å; L96-L105 HydrophobicContact CB-CD1 4.3Å; L96-L105 HydrophobicContact CD1-CB 4.18Å; L96-L105 HydrophobicContact CD1-CD1 3.8Å
106L96.1Very high94.8Very high4 Ų451.9 Ų51.92%0.02127%0.268CS..EExtended strand (participates in β ladder)trans-123.9156.7-177.4-63.2174.3000109.7L13 Y14 Q15 L43 A94 F95 L97L13-L106 HydrophobicContact CD1-CD1 4.43Å; Y14-L106 CarbonylContact O-C 3.47Å; Y14-L106 VanDerWaalsContact O-CA 3.29Å; Y14-L106 WeakPolarHBondContact O-CA 3.38Å; Q15-L106 HydrophobicContact CB-CD2 3.89Å; Q15-L106 HydrophobicContact CG-CD2 3.98Å; L43-L106 HydrophobicContact CD2-CD1 4.11Å; A94-L106 CarbonylContact C-O 3.45Å; A94-L106 VanDerWaalsContact CA-O 3.26Å; A94-L106 WeakPolarHBondContact CA-O 3.29Å; F95-L106 HydrophobicContact CD1-CB 4.13Å; F95-L106 HydrophobicContact CD2-CB 4.27Å; F95-L106 HydrophobicContact CE1-CB 3.66Å; F95-L106 HydrophobicContact CE2-CB 3.83Å; F95-L106 HydrophobicContact CE2-CD1 3.71Å; F95-L106 HydrophobicContact CE2-CG 4.37Å; F95-L106 HydrophobicContact CG-CB 4.42Å; F95-L106 HydrophobicContact CZ-CB 3.51Å; F95-L106 HydrophobicContact CZ-CD1 3.78Å; F95-L106 HydrophobicContact CZ-CG 4.29Å; F95-L106 PolarHBondContact N-O 2.86Å; F95-L106 PolarHBondContact O-N 3.04Å; L97-L106 HydrophobicContact CB-CD1 4.25Å; L97-L106 HydrophobicContact CD2-CD1 3.95Å
107A96Very high94.7Very high0 Ų051 Ų510%027%0.265CS..EExtended strand (participates in β ladder)trans-142145.4172.700000111.3Y14 W25 C88 S93 A94Y14-A107 PolarHBondContact N-O 3.3Å; Y14-A107 PolarHBondContact O-N 3.42Å; W25-A107 HydrophobicContact CE3-CB 4.33Å; W25-A107 HydrophobicContact CH2-CB 3.77Å; W25-A107 HydrophobicContact CZ3-CB 3.65Å; C88-A107 HydrophobicContact CB-CB 4.14Å; S93-A107 WeakPolarHBondContact O-CA 3.31Å; A94-A107 HydrophobicContact CB-CB 4.35Å
108A95.4Very high94.7Very high1 Ų151 Ų511%0.00827%0.265CS..EExtended strand (participates in β ladder)trans-144153.7-179.200000110.8L13 T92 S93 F95 H110 W114L13-A108 HydrophobicContact CD2-CB 3.59Å; T92-A108 WeakPolarHBondContact CA-O 3.49Å; T92-A108 WeakPolarHBondContact CB-O 3.27Å; S93-A108 PolarHBondContact N-O 2.86Å; S93-A108 PolarHBondContact O-N 2.91Å; S93-A108 VanDerWaalsContact O-N 3.14Å; F95-A108 HydrophobicContact CE1-CB 4.34Å; A108-H110 VanDerWaalsContact C-N 3.26Å; A108-H110 PolarHBondContact O-N 2.99Å; A108-W114 HydrophobicContact CB-CG 4.42Å
109Q92.4Very high94.6Very high135 Ų13551.7 Ų51.763%0.63127%0.27SS*.THydrogen-bonded Turntrans-58.9-40.3173.6-173177.427.500111.9D91D91-Q109 WeakPolarHBondContact O-CA 3.49Å; D91-Q109 WeakPolarHBondContact O-CG 3.35Å
110H90.9Very high94.4Very high126 Ų12657.9 Ų57.958%0.58330%0.299SS*.THydrogen-bonded Turntrans-120.177.6177.3-61101.7000109.6A108 Q112 A113A108-H110 VanDerWaalsContact C-N 3.26Å; A108-H110 PolarHBondContact O-N 2.99Å; H110-Q112 VanDerWaalsContact C-N 3.32Å; H110-Q112 PolarHBondContact O-N 3.48Å; H110-A113 HydrophobicContact CB-CB 3.95Å; H110-A113 WeakPolarHBondContact O-CB 3.38Å; H110-A113 PolarHBondContact O-N 3.03Å; H110-A113 VanDerWaalsContact O-N 3.09Å
111R93.1Very high94.3Very high48 Ų4855 Ų5518%0.18128%0.279CS..THydrogen-bonded Turntrans-53.9-43-173.164.6167.4169.2-171.30.1113.9D84 A94 F95 A113 W114 M115D84-R111 IonicContact OD1-CZ 3.79Å; D84-R111 VanDerWaalsContact OD1-CZ 3.27Å; D84-R111 IonicContact OD1-NH1 2.79Å; D84-R111 PolarHBondContact OD1-NH1 3.38Å; D84-R111 IonicContact OD1-NH2 2.78Å; D84-R111 PolarHBondContact OD1-NH2 3.4Å; D84-R111 IonicContact OD2-CZ 3.81Å; D84-R111 IonicContact OD2-NH1 2.95Å; D84-R111 PolarHBondContact OD2-NH1 2.94Å; D84-R111 IonicContact OD2-NH2 3.96Å; A94-R111 PolarHBondContact O-NH1 3.41Å; F95-R111 HydrophobicContact CD1-CB 4.33Å; R111-A113 VanDerWaalsContact C-N 3.28Å; R111-A113 PolarHBondContact O-N 2.96Å; R111-W114 PolarHBondContact O-N 2.89Å; R111-M115 HydrophobicContact CB-SD 4.24Å; R111-M115 HydrophobicContact CG-SD 4.29Å; R111-M115 WeakPolarHBondContact O-CG 3.2Å; R111-M115 PolarHBondContact O-N 2.67Å
112Q93.3Very high94.4Very high115 Ų11548.5 Ų48.554%0.53725%0.251SS..Hα-helixtrans-66.8-30.1-177.9-64.2-60.1-5.300112.9H110 W114 M115 G116H110-Q112 VanDerWaalsContact C-N 3.32Å; H110-Q112 PolarHBondContact O-N 3.48Å; Q112-W114 PolarHBondContact O-N 2.79Å; Q112-M115 PolarHBondContact O-N 3.12Å; Q112-G116 PolarHBondContact O-N 2.64Å
113A93.8Very high94.4Very high44 Ų4445.4 Ų45.436%0.36424%0.241SC..Hα-helixtrans-71-7.6174.900000113.5K9 H110 R111K9-A113 WeakPolarHBondContact CD-O 3.19Å; K9-A113 WeakPolarHBondContact CE-O 3.47Å; K9-A113 PolarHBondContact NZ-O 3.05Å; H110-A113 HydrophobicContact CB-CB 3.95Å; H110-A113 WeakPolarHBondContact O-CB 3.38Å; H110-A113 PolarHBondContact O-N 3.03Å; H110-A113 VanDerWaalsContact O-N 3.09Å; R111-A113 VanDerWaalsContact C-N 3.28Å; R111-A113 PolarHBondContact O-N 2.96Å
114W95.8Very high93.7Very high15 Ų1547.6 Ų47.66%0.05725%0.254CS..Hα-helixtrans-106.8-48167.2-75.894.6000111.6K9 L13 A30 L32 L43 F95 A108 R111 Q112 G116 P117 I118K9-W114 HydrophobicContact CD-CD2 3.68Å; K9-W114 HydrophobicContact CD-CE3 3.71Å; K9-W114 HydrophobicContact CD-CG 4.26Å; K9-W114 HydrophobicContact CD-CH2 4.07Å; K9-W114 HydrophobicContact CD-CZ2 4.07Å; K9-W114 HydrophobicContact CD-CZ3 3.9Å; K9-W114 VanDerWaalsContact CE-CD2 3.45Å; K9-W114 HydrophobicContact CG-CH2 4.16Å; K9-W114 HydrophobicContact CG-CZ2 4.33Å; K9-W114 HydrophobicContact CG-CZ3 4.3Å; L13-W114 HydrophobicContact CD1-CD2 4.36Å; L13-W114 HydrophobicContact CD1-CE3 4.15Å; L13-W114 HydrophobicContact CD1-CZ3 4.28Å; L13-W114 HydrophobicContact CD2-CD2 3.72Å; L13-W114 HydrophobicContact CD2-CE3 4.34Å; L13-W114 HydrophobicContact CD2-CG 3.85Å; L13-W114 HydrophobicContact CD2-CZ2 4.25Å; L13-W114 HydrophobicContact CG-CD2 4.26Å; L13-W114 HydrophobicContact CG-CE3 4.48Å; L13-W114 HydrophobicContact CG-CH2 4.46Å; L13-W114 HydrophobicContact CG-CZ2 4.21Å; A30-W114 HydrophobicContact CB-CH2 3.83Å; A30-W114 HydrophobicContact CB-CZ3 4.06Å; L32-W114 HydrophobicContact CB-CZ3 4.36Å; L43-W114 HydrophobicContact CD1-CE3 4.44Å; L43-W114 HydrophobicContact CD1-CZ3 3.97Å; F95-W114 HydrophobicContact CE1-CB 4.5Å; F95-W114 HydrophobicContact CZ-CB 4.24Å; A108-W114 HydrophobicContact CB-CG 4.42Å; R111-W114 PolarHBondContact O-N 2.89Å; Q112-W114 PolarHBondContact O-N 2.79Å; W114-G116 PolarHBondContact O-N 2.86Å; W114-P117 WeakPolarHBondContact O-CD 3.46Å; W114-I118 HydrophobicContact CB-CD1 4.38Å; W114-I118 HydrophobicContact CE3-CD1 4.49Å; W114-I118 WeakPolarHBondContact O-CB 3.31Å; W114-I118 WeakPolarHBondContact O-CD1 3.26Å; W114-I118 WeakPolarHBondContact O-CG1 3.38Å; W114-I118 PolarHBondContact O-N 2.71Å; W114-I118 VanDerWaalsContact O-N 3.11Å
115M95.6Very high92.3Very high7 Ų750.6 Ų50.63%0.03429%0.289CS..Hα-helixtrans-57.5-49.2-178.6-68.8175.471.600112.2V80 P82 F95 R111 Q112 I118 C119V80-M115 HydrophobicContact CG1-CB 4.27Å; V80-M115 HydrophobicContact CG1-CE 4.18Å; V80-M115 HydrophobicContact CG1-CG 4.21Å; P82-M115 HydrophobicContact CG-CE 4.11Å; F95-M115 HydrophobicContact CB-CE 4.14Å; F95-M115 HydrophobicContact CB-CG 3.84Å; F95-M115 HydrophobicContact CB-SD 3.54Å; F95-M115 VanDerWaalsContact CB-SD 3.54Å; F95-M115 HydrophobicContact CD1-CG 4.31Å; F95-M115 HydrophobicContact CD2-CG 3.83Å; F95-M115 HydrophobicContact CE2-CG 4.42Å; F95-M115 HydrophobicContact CG-CG 3.76Å; F95-M115 HydrophobicContact CG-SD 4.13Å; R111-M115 HydrophobicContact CB-SD 4.24Å; R111-M115 HydrophobicContact CG-SD 4.29Å; R111-M115 WeakPolarHBondContact O-CG 3.2Å; R111-M115 PolarHBondContact O-N 2.67Å; Q112-M115 PolarHBondContact O-N 3.12Å; M115-I118 PolarHBondContact O-N 2.91Å; M115-I118 VanDerWaalsContact O-N 3.15Å; M115-C119 WeakPolarHBondContact O-CB 3.42Å; M115-C119 PolarHBondContact O-N 3.48Å; M115-C119 PolarHBondContact O-SG 2.72Å
116G94.2Very high90.4Very high25 Ų2555.9 Ų55.926%0.25832%0.322SS..Hα-helixtrans-54.4-57.4-17800000113.2Q112 W114 I118 C119 Q120Q112-G116 PolarHBondContact O-N 2.64Å; W114-G116 PolarHBondContact O-N 2.86Å; G116-I118 VanDerWaalsContact C-N 3.32Å; G116-I118 PolarHBondContact O-N 2.98Å; G116-C119 PolarHBondContact O-N 2.94Å; G116-Q120 VanDerWaalsContact O-CG 3.29Å; G116-Q120 WeakPolarHBondContact O-CG 3.22Å; G116-Q120 PolarHBondContact O-N 3.34Å
117P95.1Very high87.9Confident33 Ų3359 Ų5921%0.21436%0.355CS..Hα-helixtrans-60.4-33.8175.2-28.437.4000114.7I8 L32 W114 L121I8-P117 HydrophobicContact CD1-CB 4.44Å; L32-P117 HydrophobicContact CD2-CB 3.56Å; W114-P117 WeakPolarHBondContact O-CD 3.46Å; P117-L121 WeakPolarHBondContact O-CB 3.14Å; P117-L121 WeakPolarHBondContact O-CG 3.43Å; P117-L121 PolarHBondContact O-N 2.83Å
118I95.9Very high85.5Confident0 Ų067.6 Ų67.60%040%0.395CS..Hα-helixtrans-67.8-45.7175.3-68.9167.9000110.4L32 L43 L74 V80 F95 L97 W114 M115 G116 L121 A122L32-I118 HydrophobicContact CD1-CG1 3.83Å; L32-I118 HydrophobicContact CD2-CG1 4.07Å; L43-I118 HydrophobicContact CD2-CD1 4.2Å; L74-I118 HydrophobicContact CD2-CG2 4.07Å; V80-I118 HydrophobicContact CG2-CG2 3.89Å; F95-I118 HydrophobicContact CE2-CD1 4.16Å; F95-I118 HydrophobicContact CZ-CD1 4.45Å; L97-I118 HydrophobicContact CD1-CG2 3.93Å; W114-I118 HydrophobicContact CB-CD1 4.38Å; W114-I118 HydrophobicContact CE3-CD1 4.49Å; W114-I118 WeakPolarHBondContact O-CB 3.31Å; W114-I118 WeakPolarHBondContact O-CD1 3.26Å; W114-I118 WeakPolarHBondContact O-CG1 3.38Å; W114-I118 PolarHBondContact O-N 2.71Å; W114-I118 VanDerWaalsContact O-N 3.11Å; M115-I118 PolarHBondContact O-N 2.91Å; M115-I118 VanDerWaalsContact O-N 3.15Å; G116-I118 VanDerWaalsContact C-N 3.32Å; G116-I118 PolarHBondContact O-N 2.98Å; I118-L121 PolarHBondContact O-N 3Å; I118-A122 VanDerWaalsContact O-CB 3.26Å; I118-A122 WeakPolarHBondContact O-CB 3.4Å; I118-A122 PolarHBondContact O-N 2.87Å
119C94.9Very high83.1Confident39 Ų3972.4 Ų72.426%0.26444%0.435SS..Hα-helixtrans-60.1-45.7175.6-650000111.9V80 M115 G116 L121 A122 F123V80-C119 VanDerWaalsContact CB-SG 3.54Å; M115-C119 WeakPolarHBondContact O-CB 3.42Å; M115-C119 PolarHBondContact O-N 3.48Å; M115-C119 PolarHBondContact O-SG 2.72Å; G116-C119 PolarHBondContact O-N 2.94Å; C119-L121 VanDerWaalsContact C-N 3.28Å; C119-L121 PolarHBondContact O-N 3.49Å; C119-A122 PolarHBondContact O-N 3.05Å; C119-F123 HydrophobicContact CB-CD2 4.44Å; C119-F123 PolarHBondContact O-N 2.94Å
120Q93.4Very high80.6Confident141 Ų14171.6 Ų71.666%0.65944%0.444SS*.Hα-helixtrans-61.6-34.4-179.3-73.8168.5-6.900112.9G116G116-Q120 VanDerWaalsContact O-CG 3.29Å; G116-Q120 WeakPolarHBondContact O-CG 3.22Å; G116-Q120 PolarHBondContact O-N 3.34Å
121L94Very high78.1Confident44 Ų4471.2 Ų71.223%0.2346%0.455CS..Hα-helixtrans-88.7-22178.7-71.1177.7000114.2I8 L32 A34 A41 L74 P117 I118 C119I8-L121 HydrophobicContact CD1-CD1 3.67Å; I8-L121 HydrophobicContact CG1-CD1 4.49Å; L32-L121 HydrophobicContact CD1-CD1 4.29Å; L32-L121 HydrophobicContact CD2-CD1 4.28Å; L32-L121 HydrophobicContact CG-CD1 4.08Å; A34-L121 HydrophobicContact CB-CD1 4.26Å; A34-L121 HydrophobicContact CB-CD2 3.84Å; A41-L121 HydrophobicContact CB-CB 4.45Å; L74-L121 HydrophobicContact CD1-CB 3.46Å; L74-L121 VanDerWaalsContact CD1-CB 3.46Å; L74-L121 HydrophobicContact CD1-CD1 3.83Å; L74-L121 HydrophobicContact CD1-CG 4.33Å; P117-L121 WeakPolarHBondContact O-CB 3.14Å; P117-L121 WeakPolarHBondContact O-CG 3.43Å; P117-L121 PolarHBondContact O-N 2.83Å; I118-L121 PolarHBondContact O-N 3Å; C119-L121 VanDerWaalsContact C-N 3.28Å; C119-L121 PolarHBondContact O-N 3.49Å
122A94.4Very high75.1Confident14 Ų1472.4 Ų72.412%0.11648%0.483CS..Hα-helixtrans-85-36.4174.600000112.5L74 C77 I118 C119 P124L74-A122 HydrophobicContact CB-CB 4.23Å; L74-A122 WeakPolarHBondContact O-CA 3.42Å; L74-A122 WeakPolarHBondContact O-CB 3.43Å; C77-A122 HydrophobicContact CB-CB 3.89Å; I118-A122 VanDerWaalsContact O-CB 3.26Å; I118-A122 WeakPolarHBondContact O-CB 3.4Å; I118-A122 PolarHBondContact O-N 2.87Å; C119-A122 PolarHBondContact O-N 3.05Å; A122-P124 WeakPolarHBondContact O-CD 3.4Å
123F93.4Very high72.5Confident63 Ų6372.6 Ų72.628%0.27650%0.497SS..SBendtrans-126.364.4-173.1-45.8-61.8000111.5C77 V80 C119 G125 T126C77-F123 HydrophobicContact CB-CZ 4.48Å; C77-F123 WeakPolarHBondContact O-CE1 2.97Å; V80-F123 HydrophobicContact CG2-CE2 3.91Å; V80-F123 HydrophobicContact CG2-CZ 4.5Å; C119-F123 HydrophobicContact CB-CD2 4.44Å; C119-F123 PolarHBondContact O-N 2.94Å; F123-G125 PolarHBondContact O-N 3.42Å; F123-T126 PolarHBondContact O-N 3.23Å
124P79.7Confident69.6Low116 Ų11677.4 Ų77.475%0.75352%0.522SS*.THydrogen-bonded Turntrans-6794.8178.729.2-35.2000110.7A122A122-P124 WeakPolarHBondContact O-CD 3.4Å
125G65.4Low67Low76 Ų7684.1 Ų84.178%0.78456%0.559SS**THydrogen-bonded Turntrans148.8-29.2179.900000113.5F123 G127F123-G125 PolarHBondContact O-N 3.42Å; G125-G127 PolarHBondContact O-N 3.29Å
126T55.3Low64.2Low128 Ų12887.9 Ų87.979%0.78559%0.591SS**  trans-81.642-172.7-36.50000113.4F123F123-T126 PolarHBondContact O-N 3.23Å
127G43.7Very low61.8Low70 Ų7096 Ų9672%0.72262%0.623SS**  trans-146.369.6-167.100000114.8G125G125-G127 PolarHBondContact O-N 3.29Å
128E47Very low58.8Low179 Ų17999.1 Ų99.184%0.83665%0.645SS**  trans-75151.3166.6-73.9-155.6116.800113
129A43.4Very low56.2Low102 Ų102104.4 Ų104.484%0.84368%0.679SS**  trans41.691.7151.200000119.1
130S40Very low53.9Low119 Ų119112.7 Ų112.783%0.83271%0.711SS**  trans-144.7128.6144.9-161.50000113.2
131S38.5Very low51.6Low117 Ų117117.2 Ų117.282%0.81872%0.722SS**  trans55.7109.7160.2-164.50000120.1
132G30.1Very low49.2Very low73 Ų73118.7 Ų118.775%0.75375%0.748SS**  89.4119.9118.500000118
133S38.1Very low46.9Very low119 Ų119126.2 Ų126.283%0.83279%0.785SS**  trans-75.4133.1169.855.10000112.7
134T34.7Very low44.5Very low146 Ų146128.5 Ų128.590%0.89680%0.804SS**  trans-151.4147.6138.8-3.90000109.5
135D39.8Very low43.1Very low155 Ų155128.9 Ų128.983%0.82981%0.806SS**  trans-83.9123.8-170.7-172.112.9000111.7
136A36.6Very low42.8Very low86 Ų86133.1 Ų133.171%0.71181%0.808SS**  trans-156.7120.717000000109.7S138A136-S138 PolarHBondContact O-N 3.06Å
137Q44.7Very low43Very low197 Ų197135.9 Ų135.992%0.92181%0.812SS**  trans-68.9118.1-172.8-68168.4-16.900112.1
138S32.2Very low43.7Very low97 Ų97140.3 Ų140.368%0.67881%0.813SS**  trans-130.3135.7160.157.20000109.4A136 K140A136-S138 PolarHBondContact O-N 3.06Å; S138-K140 PolarHBondContact O-N 2.97Å
139P40.9Very low43.9Very low111 Ų111136.2 Ų136.272%0.72180%0.798SS**  trans-75.5101.4-175.429.3-33.6000110.3R141P139-R141 VanDerWaalsContact C-N 3.34Å; P139-R141 PolarHBondContact O-N 2.86Å
140K47.3Very low44.4Very low214 Ų214136 Ų13693%0.9379%0.789SS**  trans-58.994.9165.1-74.1-174176.5-178.10109.5S138S138-K140 PolarHBondContact O-N 2.97Å
141R43.8Very low45.2Very low236 Ų236135.1 Ų135.189%0.89177%0.774SS**  trans-129.8130.8172.4-74.4-175.1172.6-169.2-1.5108.5P139P139-R141 VanDerWaalsContact C-N 3.34Å; P139-R141 PolarHBondContact O-N 2.86Å
142G43.6Very low46Very low75 Ų75138.4 Ų138.477%0.77377%0.77SS**  trans133.8-26.5170.900000115.2V144G142-V144 PolarHBondContact O-N 2.85Å; G142-V144 VanDerWaalsContact O-N 3.12Å
143L46.4Very low46.7Very low171 Ų171137.6 Ų137.690%0.89575%0.753SS**  trans-7599.2161.6-73.6172.9000108.1P145L143-P145 WeakPolarHBondContact O-CD 3.43Å
144V42.8Very low47Very low111 Ų111136 Ų13667%0.67374%0.742SS**  trans-64.1124.7153176.80000105.8G142 M146G142-V144 PolarHBondContact O-N 2.85Å; G142-V144 VanDerWaalsContact O-N 3.12Å; V144-M146 HydrophobicContact CG1-CG 4.27Å; V144-M146 PolarHBondContact O-N 3.15Å
145P51Low47.3Very low125 Ų125140.6 Ų140.681%0.81274%0.743SS**  trans-69.686.6169.6-13.830.1000108L143 E147L143-P145 WeakPolarHBondContact O-CD 3.43Å; P145-E147 PolarHBondContact O-N 3.25Å
146M59Low47.6Very low164 Ų164140.9 Ų140.981%0.80874%0.74SS**  trans-71.7105.1163.5-78.4-177.8160.900106.5V144 E148V144-M146 HydrophobicContact CG1-CG 4.27Å; V144-M146 PolarHBondContact O-N 3.15Å; M146-E148 PolarHBondContact O-N 2.92Å
147E59.4Low48.3Very low187 Ų187145.3 Ų145.387%0.87475%0.746SS**  trans-64.4115.4174.1-171164.1-150.200108.3P145 N149P145-E147 PolarHBondContact O-N 3.25Å; E147-N149 PolarHBondContact O-N 2.84Å
148E57.8Low49Very low162 Ų162138.3 Ų138.376%0.75772%0.716SS**  trans-64.5110.9-177.6-67.8-172.7157.800109.3M146 S150M146-E148 PolarHBondContact O-N 2.92Å; E148-S150 PolarHBondContact O-N 3.37Å; E148-S150 PolarHBondContact O-OG 2.8Å
149N52.4Low51.2Low94 Ų94134.6 Ų134.650%0.50369%0.693SS.*  trans-61.6108.2-176.9179.3-0.6000109.5E147 I151 Y152E147-N149 PolarHBondContact O-N 2.84Å; N149-I151 PolarHBondContact O-N 2.89Å; N149-I151 WeakPolarHBondContact OD1-CG1 3.48Å; N149-Y152 HydrophobicContact CB-CD2 4.12Å; N149-Y152 PolarHBondContact O-N 3.41Å
150S54.3Low53.6Low96 Ų96134 Ų13467%0.67168%0.681SS**THydrogen-bonded Turntrans-69.3-1.6-162.1-38.60000114.8E148 Y152E148-S150 PolarHBondContact O-N 3.37Å; E148-S150 PolarHBondContact O-OG 2.8Å; S150-Y152 VanDerWaalsContact C-N 3.29Å
151I56.4Low55.7Low101 Ų101125.2 Ų125.252%0.51864%0.642SS.*THydrogen-bonded Turntrans-76.5-15.3168.476.1-172.7000112.9N149 W155N149-I151 PolarHBondContact O-N 2.89Å; N149-I151 WeakPolarHBondContact OD1-CG1 3.48Å; I151-W155 PolarHBondContact O-NE1 2.89Å
152Y54.3Low58Low186 Ų186118 Ų11873%0.72963%0.627SS**SBendtrans-106.7-11.1177.1-62.5-72.3000113.6N149 S150N149-Y152 HydrophobicContact CB-CD2 4.12Å; N149-Y152 PolarHBondContact O-N 3.41Å; S150-Y152 VanDerWaalsContact C-N 3.29Å
153S45.8Very low60.5Low56 Ų56114.8 Ų114.839%0.39259%0.592SS.*SBendtrans-53.1139.7158.6-53.50000108.4W155S153-W155 PolarHBondContact O-N 3.12Å; S153-W155 VanDerWaalsContact O-N 3.11Å
154S44.2Very low62.9Low86 Ų86109.9 Ų109.960%0.60157%0.569SS**SBendtrans-48.1121.5-175.742.20000110.8Q156 E157S154-Q156 PolarHBondContact O-N 2.73Å; S154-E157 PolarHBondContact O-N 3.39Å
155W41.5Very low65.4Low242 Ų242105.2 Ų105.292%0.91754%0.541SS*.THydrogen-bonded Turntrans-51.5110.3-162.3-86.245.8000111.3I151 S153I151-W155 PolarHBondContact O-NE1 2.89Å; S153-W155 PolarHBondContact O-N 3.12Å; S153-W155 VanDerWaalsContact O-N 3.11Å
156Q44.4Very low67.6Low162 Ų162103.2 Ų103.276%0.75752%0.52SS*.THydrogen-bonded Turntrans67.654.2175-143.680.88700116.1S154 V158S154-Q156 PolarHBondContact O-N 2.73Å; Q156-V158 HydrophobicContact CG-CB 4.28Å; Q156-V158 HydrophobicContact CG-CG2 3.73Å; Q156-V158 PolarHBondContact O-N 3.3Å
157E52.3Low69.3Low179 Ų179105.6 Ų105.684%0.83652%0.52SS*.  trans-66.465.4141.1-84.1-156.3170.200110.3S154S154-E157 PolarHBondContact O-N 3.39Å
158V58.7Low71.1Confident50 Ų5097.9 Ų97.930%0.30349%0.486SS..  trans-67134.8142.7170.70000105Q156 E160 V183Q156-V158 HydrophobicContact CG-CB 4.28Å; Q156-V158 HydrophobicContact CG-CG2 3.73Å; Q156-V158 PolarHBondContact O-N 3.3Å; V158-E160 HydrophobicContact CB-CG 3.99Å; V158-E160 HydrophobicContact CG1-CG 3.53Å; V158-E160 PolarHBondContact O-N 2.84Å; V158-V183 HydrophobicContact CG1-CG1 3.52Å
159G79Confident72.9Confident19 Ų1998.4 Ų98.420%0.19649%0.488CS..EExtended strand (participates in β ladder)trans-71.374-179.400000111.4F161 L182 V183 L184G159-F161 VanDerWaalsContact O-CD2 3.23Å; G159-F161 WeakPolarHBondContact O-CD2 3.48Å; G159-L182 VanDerWaalsContact O-O 3.06Å; G159-V183 CarbonylContact O-C 3.49Å; G159-V183 WeakPolarHBondContact O-CA 3.5Å; G159-L184 PolarHBondContact O-N 3.29Å
160E90.2Very high75Confident98 Ų9894.1 Ų94.146%0.45847%0.466SS..EExtended strand (participates in β ladder)trans-95.998.3-179.6-57.6-148.4141.500110.2V158 P162 L181 L182 V183V158-E160 HydrophobicContact CB-CG 3.99Å; V158-E160 HydrophobicContact CG1-CG 3.53Å; V158-E160 PolarHBondContact O-N 2.84Å; E160-P162 WeakPolarHBondContact O-CD 3.4Å; E160-L181 HydrophobicContact CB-CD1 4.1Å; E160-L181 HydrophobicContact CB-CD2 4.4Å; E160-L181 HydrophobicContact CB-CG 4.31Å; E160-L182 WeakPolarHBondContact CA-O 3.34Å; E160-V183 HydrophobicContact CB-CG2 4.43Å; E160-V183 HydrophobicContact CG-CG1 4.36Å; E160-V183 HydrophobicContact CG-CG2 3.91Å; E160-V183 WeakPolarHBondContact OE1-CG2 3.43Å
161F92Very high77Confident29 Ų2989.6 Ų89.613%0.12743%0.434CS..EExtended strand (participates in β ladder)trans-101112.3-177.4-62.4-88.7000109.5G159 V163 L182 L184 L243 A246G159-F161 VanDerWaalsContact O-CD2 3.23Å; G159-F161 WeakPolarHBondContact O-CD2 3.48Å; F161-V163 PolarHBondContact O-N 3.05Å; F161-L182 PolarHBondContact N-O 3.41Å; F161-L182 PolarHBondContact O-N 2.78Å; F161-L184 HydrophobicContact CD2-CD1 4.45Å; F161-L184 HydrophobicContact CD2-CG 4.29Å; F161-L184 HydrophobicContact CE2-CD1 3.72Å; F161-L184 HydrophobicContact CE2-CG 3.97Å; F161-L243 HydrophobicContact CB-CD1 4.38Å; F161-L243 HydrophobicContact CB-CD2 4.1Å; F161-L243 HydrophobicContact CD1-CB 3.74Å; F161-L243 HydrophobicContact CD1-CD1 4.48Å; F161-L243 HydrophobicContact CD1-CG 4.49Å; F161-L243 HydrophobicContact CD2-CB 4.3Å; F161-L243 HydrophobicContact CD2-CD1 3.5Å; F161-L243 HydrophobicContact CD2-CG 4.33Å; F161-L243 HydrophobicContact CE1-CB 3.85Å; F161-L243 HydrophobicContact CE2-CB 4.39Å; F161-L243 HydrophobicContact CE2-CD1 3.83Å; F161-L243 HydrophobicContact CG-CB 3.97Å; F161-L243 HydrophobicContact CG-CD1 3.86Å; F161-L243 HydrophobicContact CG-CD2 4.23Å; F161-L243 HydrophobicContact CG-CG 4.22Å; F161-L243 HydrophobicContact CZ-CB 4.18Å; F161-L243 HydrophobicContact CZ-CD1 4.44Å; F161-A246 HydrophobicContact CE2-CB 4.4Å; F161-A246 HydrophobicContact CZ-CB 4.1Å
162P93.4Very high78.8Confident86 Ų8687.4 Ų87.456%0.55843%0.426SS*.EExtended strand (participates in β ladder)trans-65.4127.7171.226.1-32.1000109.2E160 L181 T237E160-P162 WeakPolarHBondContact O-CD 3.4Å; P162-L181 HydrophobicContact CB-CD1 4.43Å; P162-T237 WeakPolarHBondContact O-CB 3.25Å; P162-T237 PolarHBondContact O-OG1 3.17Å
163V95.3Very high80.8Confident6 Ų685 Ų854%0.03642%0.415CS..EExtended strand (participates in β ladder)trans-136.3154.4-171.5-73.30000111.4F161 P179 A180 L182 L191 F235 H236 T237 L243F161-V163 PolarHBondContact O-N 3.05Å; V163-P179 WeakPolarHBondContact O-CA 3.18Å; V163-A180 HydrophobicContact CG2-CB 4.19Å; V163-A180 VanDerWaalsContact CG2-O 3.27Å; V163-A180 WeakPolarHBondContact CG2-O 3.5Å; V163-A180 PolarHBondContact N-O 2.93Å; V163-A180 PolarHBondContact O-N 2.9Å; V163-L182 HydrophobicContact CG1-CB 4.17Å; V163-L182 HydrophobicContact CG2-CB 3.97Å; V163-L191 HydrophobicContact CG2-CD1 4.26Å; V163-F235 HydrophobicContact CB-CB 3.99Å; V163-F235 HydrophobicContact CB-CD1 4.17Å; V163-F235 HydrophobicContact CB-CG 4.49Å; V163-F235 HydrophobicContact CG1-CB 3.87Å; V163-F235 HydrophobicContact CG2-CD1 3.91Å; V163-H236 WeakPolarHBondContact CA-O 3.41Å; V163-T237 HydrophobicContact CG1-CG2 3.91Å; V163-L243 HydrophobicContact CG1-CD2 4.47Å
164V96.1Very high83.1Confident68 Ų6882.8 Ų82.841%0.41240%0.4SS..EExtended strand (participates in β ladder)trans-109.9121.5164.5-176.20000108.8Q166 F235 H236V164-Q166 PolarHBondContact O-N 3.31Å; V164-F235 CarbonylContact O-C 3.45Å; V164-F235 WeakPolarHBondContact O-CA 3.46Å; V164-H236 HydrophobicContact CB-CB 4.44Å; V164-H236 PolarHBondContact N-O 3.27Å; V164-H236 PolarHBondContact O-N 3.34Å
165V96Very high85.4Confident14 Ų1486.4 Ų86.49%0.08541%0.407CS..EExtended strand (participates in β ladder)trans-66.2118.4-179.1-175.40000109.7A171 L176 G178 A180 L191 F235V165-A171 HydrophobicContact CG1-CB 4.01Å; V165-L176 HydrophobicContact CG1-CB 3.9Å; V165-G178 PolarHBondContact N-O 3.26Å; V165-A180 HydrophobicContact CG2-CB 4.01Å; V165-L191 HydrophobicContact CG2-CD2 4.35Å; V165-F235 HydrophobicContact CG2-CD1 4.25Å; V165-F235 HydrophobicContact CG2-CE1 4.07Å
166Q96.4Very high87.9Confident82 Ų8275.6 Ų75.638%0.38337%0.367SS..  trans-76.9147.5174.4-72.3-739.400111V164 T168 V217 A234 H236V164-Q166 PolarHBondContact O-N 3.31Å; Q166-T168 PolarHBondContact O-N 2.96Å; Q166-V217 HydrophobicContact CG-CG1 4.46Å; Q166-A234 HydrophobicContact CB-CB 3.92Å; Q166-A234 WeakPolarHBondContact CB-O 3.31Å; Q166-A234 HydrophobicContact CG-CB 4.44Å; Q166-A234 PolarHBondContact N-O 3.23Å; Q166-H236 HydrophobicContact CG-CB 4.45Å
167R95.6Very high90.1Very high215 Ų21575.7 Ų75.781%0.81137%0.365SS*.  trans-75.298.7-178.8-174.2179.1179.2149.8-0.3111.3
168T95.9Very high92Very high24 Ų2468.4 Ų68.415%0.14734%0.339CS..  trans-109.5169.2166.174.40000110.9Q166 A170 A171 T172 L232 A234Q166-T168 PolarHBondContact O-N 2.96Å; T168-A170 VanDerWaalsContact C-N 3.34Å; T168-A170 PolarHBondContact OG1-N 2.81Å; T168-A171 WeakPolarHBondContact OG1-CB 3.37Å; T168-A171 PolarHBondContact OG1-N 3.06Å; T168-T172 WeakPolarHBondContact O-CB 3.36Å; T168-T172 PolarHBondContact O-N 2.89Å; T168-T172 PolarHBondContact O-OG1 2.78Å; T168-L232 WeakPolarHBondContact CB-O 3.39Å; T168-L232 WeakPolarHBondContact CG2-O 3.19Å; T168-L232 PolarHBondContact OG1-O 3.49Å; T168-A234 HydrophobicContact CG2-CB 4.1Å
169E96.3Very high93.6Very high174 Ų17470.7 Ų70.781%0.81335%0.354SS*.Hα-helixtrans-60.3-44.4172.5-62.2-176.7158.400111.6T172 R173E169-T172 PolarHBondContact O-N 2.89Å; E169-R173 WeakPolarHBondContact O-CB 3.41Å; E169-R173 PolarHBondContact O-N 2.99Å
170A96.1Very high94.3Very high4 Ų470.2 Ų70.23%0.03335%0.348CS..Hα-helixtrans-66.3-43.5179.300000111.7T168 T172 R173 C174 F233T168-A170 VanDerWaalsContact C-N 3.34Å; T168-A170 PolarHBondContact OG1-N 2.81Å; A170-T172 VanDerWaalsContact C-N 3.34Å; A170-T172 PolarHBondContact O-N 3.26Å; A170-R173 PolarHBondContact O-N 3.48Å; A170-C174 WeakPolarHBondContact O-CB 3.47Å; A170-C174 PolarHBondContact O-N 2.79Å; A170-C174 PolarHBondContact O-SG 3.13Å; A170-F233 HydrophobicContact CB-CD1 4.47Å; A170-F233 HydrophobicContact CB-CD2 4.4Å; A170-F233 HydrophobicContact CB-CE1 3.89Å; A170-F233 HydrophobicContact CB-CE2 3.81Å; A170-F233 HydrophobicContact CB-CZ 3.5Å
171A95.9Very high94.5Very high1 Ų167.4 Ų67.41%0.00834%0.336CS..Hα-helixtrans-61.5-41.5173.100000111.8V165 T168 C174 Q175 L176 F233V165-A171 HydrophobicContact CG1-CB 4.01Å; T168-A171 WeakPolarHBondContact OG1-CB 3.37Å; T168-A171 PolarHBondContact OG1-N 3.06Å; A171-C174 CarbonylContact O-C 3.47Å; A171-C174 PolarHBondContact O-N 3.02Å; A171-Q175 PolarHBondContact O-N 3.07Å; A171-L176 HydrophobicContact CB-CB 4.37Å; A171-L176 PolarHBondContact O-N 2.84Å; A171-F233 HydrophobicContact CB-CD1 4.41Å
172T95.4Very high94.7Very high55 Ų5566 Ų6634%0.33733%0.33SS..Hα-helixtrans-63.6-44.8177.4-56.80000111.6T168 E169 A170 C174 Q175T168-T172 WeakPolarHBondContact O-CB 3.36Å; T168-T172 PolarHBondContact O-N 2.89Å; T168-T172 PolarHBondContact O-OG1 2.78Å; E169-T172 PolarHBondContact O-N 2.89Å; A170-T172 VanDerWaalsContact C-N 3.34Å; A170-T172 PolarHBondContact O-N 3.26Å; T172-C174 VanDerWaalsContact C-N 3.34Å; T172-Q175 PolarHBondContact O-N 2.95Å; T172-Q175 VanDerWaalsContact O-N 3.1Å
173R95.6Very high94.7Very high134 Ų13462.1 Ų62.151%0.50631%0.305SS..Hα-helixtrans-61.8-40.2175-177.7-177.466.8-127.70.9112.2E169 A170 Q175 S228 E230E169-R173 WeakPolarHBondContact O-CB 3.41Å; E169-R173 PolarHBondContact O-N 2.99Å; A170-R173 PolarHBondContact O-N 3.48Å; R173-Q175 PolarHBondContact O-N 3.3Å; R173-S228 PolarHBondContact NE-O 3.11Å; R173-S228 PolarHBondContact NH2-O 3.37Å; R173-E230 PolarHBondContact NH1-O 3.2Å; R173-E230 PolarHBondContact NH2-O 2.95Å
174C93.9Very high94.6Very high10 Ų1062.8 Ų62.87%0.06831%0.308CS..THydrogen-bonded Turntrans-79.62.6176.1-60.20000113.4A170 A171 T172 L176 Y201 S228 F233A170-C174 WeakPolarHBondContact O-CB 3.47Å; A170-C174 PolarHBondContact O-N 2.79Å; A170-C174 PolarHBondContact O-SG 3.13Å; A171-C174 CarbonylContact O-C 3.47Å; A171-C174 PolarHBondContact O-N 3.02Å; T172-C174 VanDerWaalsContact C-N 3.34Å; C174-L176 HydrophobicContact CB-CD1 3.93Å; C174-L176 HydrophobicContact CB-CG 3.82Å; C174-L176 PolarHBondContact O-N 2.95Å; C174-L176 VanDerWaalsContact O-N 3.16Å; C174-Y201 HydrophobicContact CB-CE1 4.49Å; C174-Y201 HydrophobicContact CB-CE2 3.7Å; C174-S228 PolarHBondContact SG-O 3.11Å; C174-S228 VanDerWaalsContact SG-O 3.4Å; C174-F233 HydrophobicContact CB-CE1 4.39Å
175Q93.9Very high94.3Very high162 Ų16260.5 Ų60.576%0.75730%0.298SS*.THydrogen-bonded Turntrans60.913.8-178.1-50.2-17348.800115.5A171 T172 R173A171-Q175 PolarHBondContact O-N 3.07Å; T172-Q175 PolarHBondContact O-N 2.95Å; T172-Q175 VanDerWaalsContact O-N 3.1Å; R173-Q175 PolarHBondContact O-N 3.3Å
176L92.7Very high93.9Very high15 Ų1563.7 Ų63.78%0.07932%0.319CS..  trans-76.8124.3-175.9-59.7177.1000112.1V165 A171 C174 L191 L200 Y201 F233V165-L176 HydrophobicContact CG1-CB 3.9Å; A171-L176 HydrophobicContact CB-CB 4.37Å; A171-L176 PolarHBondContact O-N 2.84Å; C174-L176 HydrophobicContact CB-CD1 3.93Å; C174-L176 HydrophobicContact CB-CG 3.82Å; C174-L176 PolarHBondContact O-N 2.95Å; C174-L176 VanDerWaalsContact O-N 3.16Å; L176-L191 HydrophobicContact CD1-CD2 3.75Å; L176-L191 HydrophobicContact CD2-CD2 3.87Å; L176-L191 HydrophobicContact CG-CD2 4.32Å; L176-L200 HydrophobicContact CD2-CB 4.34Å; L176-L200 HydrophobicContact CD2-CD1 3.87Å; L176-Y201 HydrophobicContact CD1-CD2 3.89Å; L176-Y201 HydrophobicContact CD1-CE2 4.13Å; L176-Y201 HydrophobicContact CD2-CD2 3.91Å; L176-Y201 HydrophobicContact CD2-CE2 3.88Å; L176-Y201 HydrophobicContact CG-CD2 4.24Å; L176-Y201 HydrophobicContact CG-CE2 4.09Å; L176-F233 HydrophobicContact CD1-CD1 4.34Å; L176-F233 HydrophobicContact CD1-CE1 4.09Å
177K91.9Very high93.7Very high164 Ų16463.6 Ų63.671%0.71332%0.321SS*.  trans-152.5147.3-178.4-60.7173.9-170.4158.30110.9
178G91.3Very high93.6Very high27 Ų2754 Ų5428%0.27829%0.287SS..EExtended strand (participates in β ladder)trans82.6-161.5168.900000114.8V165V165-G178 PolarHBondContact N-O 3.26Å
179P93.3Very high93.6Very high97 Ų9752.8 Ų52.863%0.6328%0.28SS*.EExtended strand (participates in β ladder)trans-68.7134.3-179.6-18.732.6000112.5V163V163-P179 WeakPolarHBondContact O-CA 3.18Å
180A93.9Very high93.5Very high9 Ų946.9 Ų46.97%0.07425%0.253CS..EExtended strand (participates in β ladder)trans-146.117117800000110.1V163 V165 L191V163-A180 HydrophobicContact CG2-CB 4.19Å; V163-A180 VanDerWaalsContact CG2-O 3.27Å; V163-A180 WeakPolarHBondContact CG2-O 3.5Å; V163-A180 PolarHBondContact N-O 2.93Å; V163-A180 PolarHBondContact O-N 2.9Å; V165-A180 HydrophobicContact CG2-CB 4.01Å; A180-L191 HydrophobicContact CB-CD1 3.67Å; A180-L191 HydrophobicContact CB-CD2 4.4Å; A180-L191 HydrophobicContact CB-CG 4.08Å
181L94.1Very high93.5Very high39 Ų3946.8 Ų46.820%0.20425%0.252CS..EExtended strand (participates in β ladder)trans-116.9119.5177.2-169.466.8000108.8E160 P162 V183 R192E160-L181 HydrophobicContact CB-CD1 4.1Å; E160-L181 HydrophobicContact CB-CD2 4.4Å; E160-L181 HydrophobicContact CB-CG 4.31Å; P162-L181 HydrophobicContact CB-CD1 4.43Å; L181-V183 HydrophobicContact CD2-CG2 4.25Å; L181-V183 HydrophobicContact CG-CG2 4.09Å; L181-R192 HydrophobicContact CB-CB 4.35Å; L181-R192 PolarHBondContact N-O 3.31Å; L181-R192 PolarHBondContact O-N 3.23Å
182L94.6Very high93.4Very high0 Ų049.9 Ų49.90%026%0.263CS..EExtended strand (participates in β ladder)trans-96.1116.6178.1-161.179.1000108.9G159 E160 F161 V163 I189 Q190 L191 W203 F218 F235 L243G159-L182 VanDerWaalsContact O-O 3.06Å; E160-L182 WeakPolarHBondContact CA-O 3.34Å; F161-L182 PolarHBondContact N-O 3.41Å; F161-L182 PolarHBondContact O-N 2.78Å; V163-L182 HydrophobicContact CG1-CB 4.17Å; V163-L182 HydrophobicContact CG2-CB 3.97Å; L182-I189 HydrophobicContact CD1-CG2 3.57Å; L182-I189 HydrophobicContact CD2-CG2 3.87Å; L182-I189 HydrophobicContact CG-CG2 3.61Å; L182-Q190 CarbonylContact C-O 3.56Å; L182-Q190 WeakPolarHBondContact CA-O 3.39Å; L182-L191 HydrophobicContact CD1-CB 4.39Å; L182-L191 HydrophobicContact CD1-CD1 3.64Å; L182-W203 HydrophobicContact CD1-CZ3 4.23Å; L182-F218 HydrophobicContact CD2-CD1 4.05Å; L182-F218 HydrophobicContact CD2-CE1 3.91Å; L182-F235 HydrophobicContact CD1-CE1 4.27Å; L182-F235 HydrophobicContact CD1-CE2 4.48Å; L182-F235 HydrophobicContact CD1-CZ 4.16Å; L182-L243 HydrophobicContact CD2-CD1 3.89Å; L182-L243 HydrophobicContact CD2-CD2 3.89Å; L182-L243 HydrophobicContact CD2-CG 4.5Å
183V93.8Very high93Very high5 Ų550.8 Ų50.83%0.0326%0.264CS..EExtended strand (participates in β ladder)trans-111.8120.7-172176.70000110V158 G159 E160 L181 G185 Q190 R192V158-V183 HydrophobicContact CG1-CG1 3.52Å; G159-V183 CarbonylContact O-C 3.49Å; G159-V183 WeakPolarHBondContact O-CA 3.5Å; E160-V183 HydrophobicContact CB-CG2 4.43Å; E160-V183 HydrophobicContact CG-CG1 4.36Å; E160-V183 HydrophobicContact CG-CG2 3.91Å; E160-V183 WeakPolarHBondContact OE1-CG2 3.43Å; L181-V183 HydrophobicContact CD2-CG2 4.25Å; L181-V183 HydrophobicContact CG-CG2 4.09Å; V183-G185 PolarHBondContact O-N 3.41Å; V183-Q190 HydrophobicContact CB-CB 4.26Å; V183-Q190 PolarHBondContact N-O 3.31Å; V183-Q190 PolarHBondContact O-N 3.05Å; V183-R192 HydrophobicContact CG2-CG 4.36Å
184L93.5Very high91.9Very high20 Ų2047.5 Ų47.511%0.10527%0.265CS..EExtended strand (participates in β ladder)trans-85.3109174.9-55.8-170.2000110.3G159 F161 I189 L243 A246 V247G159-L184 PolarHBondContact O-N 3.29Å; F161-L184 HydrophobicContact CD2-CD1 4.45Å; F161-L184 HydrophobicContact CD2-CG 4.29Å; F161-L184 HydrophobicContact CE2-CD1 3.72Å; F161-L184 HydrophobicContact CE2-CG 3.97Å; L184-I189 HydrophobicContact CD2-CB 4.47Å; L184-I189 HydrophobicContact CD2-CD1 4.5Å; L184-I189 HydrophobicContact CD2-CG1 4Å; L184-I189 HydrophobicContact CD2-CG2 4.17Å; L184-L243 HydrophobicContact CD1-CD1 4.22Å; L184-L243 HydrophobicContact CD2-CD1 4.07Å; L184-L243 HydrophobicContact CG-CD1 4.37Å; L184-A246 HydrophobicContact CD1-CB 3.54Å; L184-V247 HydrophobicContact CD1-CG2 3.83Å; L184-V247 HydrophobicContact CD2-CG2 3.55Å; L184-V247 HydrophobicContact CG-CG2 4.37Å
185G90.2Very high91Very high19 Ų1955.7 Ų55.720%0.19630%0.299CS..  trans-88.1177.7169.400000112.2V183 D187 A188 Y205V183-G185 PolarHBondContact O-N 3.41Å; G185-D187 PolarHBondContact O-N 3.11Å; G185-A188 PolarHBondContact N-O 2.78Å; G185-Y205 WeakPolarHBondContact O-CE2 3.26Å; G185-Y205 PolarHBondContact O-OH 2.67Å
186P88.2Confident89.9Confident81 Ų8151.5 Ų51.553%0.52629%0.285SS..SBendtrans-65.1-25178.726.3-34.7000113.8
187D91.1Very high88.9Confident81 Ų8155.4 Ų55.443%0.43331%0.31SS..SBendtrans-128.9-11.2-170.3-68.9-77.6000115.1G185 Y205 Q254G185-D187 PolarHBondContact O-N 3.11Å; D187-Y205 VanDerWaalsContact O-CD2 3.3Å; D187-Y205 WeakPolarHBondContact O-CD2 3.33Å; D187-Y205 PolarHBondContact O-N 2.8Å; D187-Q254 VanDerWaalsContact CA-NE2 3.28Å; D187-Q254 PolarHBondContact O-NE2 3.19Å; D187-Q254 PolarHBondContact OD1-NE2 3.35Å
188A94.5Very high88.5Confident12 Ų1253.7 Ų53.710%0.09930%0.304CS..EExtended strand (participates in β ladder)trans-156.1152-172.400000112.8G185 S202 W203G185-A188 PolarHBondContact N-O 2.78Å; A188-S202 WeakPolarHBondContact CB-OG 3.32Å; A188-W203 VanDerWaalsContact CA-O 3.31Å; A188-W203 WeakPolarHBondContact CA-O 3.39Å; A188-W203 WeakPolarHBondContact CB-O 3.37Å
189I95.7Very high88.4Confident0 Ų055 Ų550%031%0.306CS..EExtended strand (participates in β ladder)trans-82.5129.6163.1-52.9-176.9000108L182 L184 S202 W203 Y205 L208 F218 F220 V247L182-I189 HydrophobicContact CD1-CG2 3.57Å; L182-I189 HydrophobicContact CD2-CG2 3.87Å; L182-I189 HydrophobicContact CG-CG2 3.61Å; L184-I189 HydrophobicContact CD2-CB 4.47Å; L184-I189 HydrophobicContact CD2-CD1 4.5Å; L184-I189 HydrophobicContact CD2-CG1 4Å; L184-I189 HydrophobicContact CD2-CG2 4.17Å; I189-S202 CarbonylContact O-C 3.58Å; I189-S202 WeakPolarHBondContact O-CA 3.39Å; I189-W203 HydrophobicContact CB-CE3 4.27Å; I189-W203 HydrophobicContact CG2-CE3 4.18Å; I189-W203 PolarHBondContact N-O 3.01Å; I189-W203 PolarHBondContact O-N 2.89Å; I189-Y205 HydrophobicContact CD1-CE1 4.13Å; I189-Y205 HydrophobicContact CG1-CD1 4.09Å; I189-Y205 HydrophobicContact CG1-CE1 3.44Å; I189-Y205 VanDerWaalsContact CG1-CE1 3.44Å; I189-L208 HydrophobicContact CD1-CD1 3.84Å; I189-L208 HydrophobicContact CG1-CD1 4.45Å; I189-F218 HydrophobicContact CD1-CZ 4.41Å; I189-F220 HydrophobicContact CD1-CD1 4.12Å; I189-F220 HydrophobicContact CD1-CE1 4.19Å; I189-F220 HydrophobicContact CG2-CE1 4.46Å; I189-V247 HydrophobicContact CD1-CG1 4.26Å; I189-V247 HydrophobicContact CD1-CG2 3.94Å; I189-V247 HydrophobicContact CG1-CG2 4.49Å
190Q95Very high88.4Confident50 Ų5053.8 Ų53.823%0.23429%0.294CS..EExtended strand (participates in β ladder)trans-110.3140.1173.5-65.8179.2-7.100110.3L182 V183 V199 Y201L182-Q190 CarbonylContact C-O 3.56Å; L182-Q190 WeakPolarHBondContact CA-O 3.39Å; V183-Q190 HydrophobicContact CB-CB 4.26Å; V183-Q190 PolarHBondContact N-O 3.31Å; V183-Q190 PolarHBondContact O-N 3.05Å; Q190-V199 HydrophobicContact CB-CG1 4.17Å; Q190-V199 HydrophobicContact CB-CG2 4.44Å; Q190-V199 HydrophobicContact CG-CG1 4.3Å; Q190-Y201 WeakPolarHBondContact CA-O 3.36Å
191L95Very high88.4Confident1 Ų156.2 Ų56.21%0.00530%0.302CS..EExtended strand (participates in β ladder)trans-103.6129.9164.8-167.672.4000109.5V163 V165 L176 A180 L182 V199 L200 Y201 W203 F235V163-L191 HydrophobicContact CG2-CD1 4.26Å; V165-L191 HydrophobicContact CG2-CD2 4.35Å; L176-L191 HydrophobicContact CD1-CD2 3.75Å; L176-L191 HydrophobicContact CD2-CD2 3.87Å; L176-L191 HydrophobicContact CG-CD2 4.32Å; A180-L191 HydrophobicContact CB-CD1 3.67Å; A180-L191 HydrophobicContact CB-CD2 4.4Å; A180-L191 HydrophobicContact CB-CG 4.08Å; L182-L191 HydrophobicContact CD1-CB 4.39Å; L182-L191 HydrophobicContact CD1-CD1 3.64Å; L191-V199 CarbonylContact O-C 3.56Å; L191-V199 WeakPolarHBondContact O-CA 3.29Å; L191-L200 HydrophobicContact CD2-CD1 4.36Å; L191-L200 PolarHBondContact O-N 3.39Å; L191-Y201 PolarHBondContact N-O 3.34Å; L191-W203 HydrophobicContact CB-CH2 3.76Å; L191-W203 HydrophobicContact CB-CZ3 3.71Å; L191-W203 HydrophobicContact CD2-CH2 4.3Å; L191-F235 HydrophobicContact CD1-CD1 4.41Å; L191-F235 HydrophobicContact CD1-CE1 3.7Å; L191-F235 HydrophobicContact CD1-CZ 4.41Å; L191-F235 HydrophobicContact CD2-CE1 4.3Å
192R93.3Very high88.4Confident66 Ų6656 Ų5625%0.24930%0.303CS..EExtended strand (participates in β ladder)trans-116.9146.9175.2-64.5172.5-175.8-108.62.2110.9L181 V183 T197 Q198 V199L181-R192 HydrophobicContact CB-CB 4.35Å; L181-R192 PolarHBondContact N-O 3.31Å; L181-R192 PolarHBondContact O-N 3.23Å; V183-R192 HydrophobicContact CG2-CG 4.36Å; R192-T197 WeakPolarHBondContact CD-O 3.48Å; R192-T197 PolarHBondContact NH1-O 2.94Å; R192-Q198 VanDerWaalsContact CA-O 3.25Å; R192-Q198 WeakPolarHBondContact CA-O 3.47Å; R192-V199 HydrophobicContact CG-CG2 3.92Å
193E87.1Confident88.6Confident75 Ų7556 Ų5635%0.3530%0.303SS..EExtended strand (participates in β ladder)trans-74.7129.4170.1-166.4-176.8-173.900110.2K195 V196 T197 Q198 L200E193-K195 HydrophobicContact CG-CB 4.43Å; E193-K195 PolarHBondContact O-N 3.34Å; E193-V196 PolarHBondContact O-N 3.37Å; E193-V196 WeakPolarHBondContact OE2-CG2 3.37Å; E193-T197 PolarHBondContact O-N 2.96Å; E193-Q198 PolarHBondContact N-O 3.25Å; E193-L200 HydrophobicContact CB-CD1 4.14Å; E193-L200 HydrophobicContact CB-CD2 4.36Å; E193-L200 HydrophobicContact CB-CG 4.38Å
194A74Confident88.6Confident65 Ų6557.1 Ų57.154%0.53731%0.311SS..THydrogen-bonded Turntrans-61.6-12.2-178.200000114.8
195K74.5Confident88.7Confident181 Ų18156.6 Ų56.679%0.78731%0.308SS*.THydrogen-bonded Turntrans-98.1-26.4178.8-66.5178.6-179.1173.90114.7E193E193-K195 HydrophobicContact CG-CB 4.43Å; E193-K195 PolarHBondContact O-N 3.34Å
196V70.8Confident88.9Confident75 Ų7560.9 Ų60.946%0.45532%0.322SS..THydrogen-bonded Turntrans-124.6-13.6-165.5-171.30000111.9E193 Q198E193-V196 PolarHBondContact O-N 3.37Å; E193-V196 WeakPolarHBondContact OE2-CG2 3.37Å; V196-Q198 HydrophobicContact CG1-CB 4.05Å; V196-Q198 PolarHBondContact O-N 2.81Å
197T72.2Confident89.2Confident97 Ų9759.3 Ų59.360%0.59531%0.307SS*.  trans58.7-5.4-17768.90000116.2R192 E193R192-T197 WeakPolarHBondContact CD-O 3.48Å; R192-T197 PolarHBondContact NH1-O 2.94Å; E193-T197 PolarHBondContact O-N 2.96Å
198Q82.9Confident89.4Confident128 Ų12856.6 Ų56.660%0.59829%0.293SS*.  trans-59.8138.2169.5-179.5175-1.300111.1R192 E193 V196 L200R192-Q198 VanDerWaalsContact CA-O 3.25Å; R192-Q198 WeakPolarHBondContact CA-O 3.47Å; E193-Q198 PolarHBondContact N-O 3.25Å; V196-Q198 HydrophobicContact CG1-CB 4.05Å; V196-Q198 PolarHBondContact O-N 2.81Å; Q198-L200 PolarHBondContact O-N 3.36Å
199V89.4Confident89.5Confident53 Ų5361.6 Ų61.632%0.32131%0.309SS..EExtended strand (participates in β ladder)trans-72.9123.1172.6-179.60000109.3Q190 L191 R192 Y201Q190-V199 HydrophobicContact CB-CG1 4.17Å; Q190-V199 HydrophobicContact CB-CG2 4.44Å; Q190-V199 HydrophobicContact CG-CG1 4.3Å; L191-V199 CarbonylContact O-C 3.56Å; L191-V199 WeakPolarHBondContact O-CA 3.29Å; R192-V199 HydrophobicContact CG-CG2 3.92Å; V199-Y201 WeakPolarHBondContact CG1-O 3.1Å
200L91.8Very high89.5Confident72 Ų7267.6 Ų67.638%0.37734%0.335SS..EExtended strand (participates in β ladder)trans-85.3-44.7175.6-60.2177000111.3L176 L191 E193 Q198L176-L200 HydrophobicContact CD2-CB 4.34Å; L176-L200 HydrophobicContact CD2-CD1 3.87Å; L191-L200 HydrophobicContact CD2-CD1 4.36Å; L191-L200 PolarHBondContact O-N 3.39Å; E193-L200 HydrophobicContact CB-CD1 4.14Å; E193-L200 HydrophobicContact CB-CD2 4.36Å; E193-L200 HydrophobicContact CB-CG 4.38Å; Q198-L200 PolarHBondContact O-N 3.36Å
201Y94.4Very high89.6Confident61 Ų6168.8 Ų68.824%0.23934%0.34CS..EExtended strand (participates in β ladder)trans-146.9153.6178.3-73.7-84.7000110.6C174 L176 Q190 L191 V199 W203C174-Y201 HydrophobicContact CB-CE1 4.49Å; C174-Y201 HydrophobicContact CB-CE2 3.7Å; L176-Y201 HydrophobicContact CD1-CD2 3.89Å; L176-Y201 HydrophobicContact CD1-CE2 4.13Å; L176-Y201 HydrophobicContact CD2-CD2 3.91Å; L176-Y201 HydrophobicContact CD2-CE2 3.88Å; L176-Y201 HydrophobicContact CG-CD2 4.24Å; L176-Y201 HydrophobicContact CG-CE2 4.09Å; Q190-Y201 WeakPolarHBondContact CA-O 3.36Å; L191-Y201 PolarHBondContact N-O 3.34Å; V199-Y201 WeakPolarHBondContact CG1-O 3.1Å; Y201-W203 HydrophobicContact CG-CZ2 4.27Å
202S95.3Very high89.7Confident33 Ų3369.7 Ų69.723%0.23135%0.349CS..EExtended strand (participates in β ladder)trans-129136.5171-170.30000109.5A188 I189A188-S202 WeakPolarHBondContact CB-OG 3.32Å; I189-S202 CarbonylContact O-C 3.58Å; I189-S202 WeakPolarHBondContact O-CA 3.39Å
203W97Very high89.8Confident0 Ų069 Ų690%035%0.354CS..EExtended strand (participates in β ladder)trans-121.1100.4176.9-57.9-83000109.2L182 A188 I189 L191 Y201 Y205 L208 F220 S228 F233 F235L182-W203 HydrophobicContact CD1-CZ3 4.23Å; A188-W203 VanDerWaalsContact CA-O 3.31Å; A188-W203 WeakPolarHBondContact CA-O 3.39Å; A188-W203 WeakPolarHBondContact CB-O 3.37Å; I189-W203 HydrophobicContact CB-CE3 4.27Å; I189-W203 HydrophobicContact CG2-CE3 4.18Å; I189-W203 PolarHBondContact N-O 3.01Å; I189-W203 PolarHBondContact O-N 2.89Å; L191-W203 HydrophobicContact CB-CH2 3.76Å; L191-W203 HydrophobicContact CB-CZ3 3.71Å; L191-W203 HydrophobicContact CD2-CH2 4.3Å; Y201-W203 HydrophobicContact CG-CZ2 4.27Å; W203-Y205 PolarHBondContact O-N 3.48Å; W203-L208 HydrophobicContact CB-CD2 3.91Å; W203-F220 HydrophobicContact CB-CE2 4.38Å; W203-F220 AromaticContact CD1-CE2 3.99Å; W203-F220 AromaticContact CD2-CE2 3.67Å; W203-F220 HydrophobicContact CD2-CE2 3.67Å; W203-F220 AromaticContact CD2-CZ 3.5Å; W203-F220 HydrophobicContact CD2-CZ 3.5Å; W203-F220 VanDerWaalsContact CD2-CZ 3.5Å; W203-F220 AromaticContact CE2-CE2 3.84Å; W203-F220 AromaticContact CE2-CZ 3.81Å; W203-F220 HydrophobicContact CE3-CE1 4.34Å; W203-F220 HydrophobicContact CE3-CE2 4.12Å; W203-F220 AromaticContact CE3-CZ 3.46Å; W203-F220 HydrophobicContact CE3-CZ 3.46Å; W203-F220 VanDerWaalsContact CE3-CZ 3.46Å; W203-F220 AromaticContact CG-CE2 3.77Å; W203-F220 HydrophobicContact CG-CE2 3.77Å; W203-F220 HydrophobicContact CG-CZ 4.05Å; W203-F220 HydrophobicContact CH2-CZ 4.02Å; W203-F220 HydrophobicContact CZ2-CE2 4.42Å; W203-F220 HydrophobicContact CZ2-CZ 4.08Å; W203-F220 HydrophobicContact CZ3-CE1 4.48Å; W203-F220 AromaticContact CZ3-CZ 3.72Å; W203-F220 HydrophobicContact CZ3-CZ 3.72Å; W203-S228 PolarHBondContact NE1-OG 3.18Å; W203-F233 HydrophobicContact CZ2-CD1 4.11Å; W203-F233 HydrophobicContact CZ2-CD2 4.36Å; W203-F233 HydrophobicContact CZ2-CE1 4.16Å; W203-F233 HydrophobicContact CZ2-CE2 4.42Å; W203-F233 HydrophobicContact CZ2-CG 4.23Å; W203-F233 HydrophobicContact CZ2-CZ 4.33Å; W203-F233 AromaticContact NE1-CE2 3.86Å; W203-F235 HydrophobicContact CH2-CZ 4.28Å
204P95.4Very high90.1Very high30 Ų3070 Ų7020%0.19536%0.362CS..EExtended strand (participates in β ladder)trans-55.6132.4172.9-24.434.4000110.6H206 F207P204-H206 PolarHBondContact O-N 2.98Å; P204-H206 VanDerWaalsContact O-N 3.14Å; P204-F207 HydrophobicContact CB-CD2 4.18Å; P204-F207 HydrophobicContact CG-CD2 4.02Å; P204-F207 HydrophobicContact CG-CE2 4.4Å; P204-F207 PolarHBondContact O-N 3.29Å
205Y95.1Very high91Very high8 Ų875.4 Ų75.43%0.03137%0.373CS..G310 helixtrans-53.8-39.6-174.9-74.2-52.4000112.8G185 D187 I189 W203 F207 L208 V247 A250 I251G185-Y205 WeakPolarHBondContact O-CE2 3.26Å; G185-Y205 PolarHBondContact O-OH 2.67Å; D187-Y205 VanDerWaalsContact O-CD2 3.3Å; D187-Y205 WeakPolarHBondContact O-CD2 3.33Å; D187-Y205 PolarHBondContact O-N 2.8Å; I189-Y205 HydrophobicContact CD1-CE1 4.13Å; I189-Y205 HydrophobicContact CG1-CD1 4.09Å; I189-Y205 HydrophobicContact CG1-CE1 3.44Å; I189-Y205 VanDerWaalsContact CG1-CE1 3.44Å; W203-Y205 PolarHBondContact O-N 3.48Å; Y205-F207 PolarHBondContact O-N 3.07Å; Y205-L208 HydrophobicContact CD1-CD1 4.07Å; Y205-L208 WeakPolarHBondContact O-CB 3.5Å; Y205-L208 PolarHBondContact O-N 3.01Å; Y205-L208 VanDerWaalsContact O-N 3.09Å; Y205-V247 HydrophobicContact CE1-CG1 4.23Å; Y205-A250 HydrophobicContact CE1-CB 4.37Å; Y205-A250 HydrophobicContact CE2-CB 3.69Å; Y205-A250 VanDerWaalsContact OH-CB 3.29Å; Y205-A250 WeakPolarHBondContact OH-CB 3.48Å; Y205-I251 HydrophobicContact CD1-CD1 4.05Å; Y205-I251 HydrophobicContact CD1-CG1 3.51Å; Y205-I251 HydrophobicContact CD2-CG1 4.43Å; Y205-I251 HydrophobicContact CE1-CG1 4.15Å; Y205-I251 HydrophobicContact CG-CG1 3.7Å
206H93.5Very high91.8Very high110 Ų11067.7 Ų67.751%0.50935%0.346SS..G310 helixtrans-71.8-1.5178.565.6-96.9000115P204P204-H206 PolarHBondContact O-N 2.98Å; P204-H206 VanDerWaalsContact O-N 3.14Å
207F95.3Very high93Very high47 Ų4766 Ų6621%0.20634%0.335CS..G310 helixtrans-108.7-1.7169.2-65.5-18.3000113.6P204 Y205 G223 R225 C226P204-F207 HydrophobicContact CB-CD2 4.18Å; P204-F207 HydrophobicContact CG-CD2 4.02Å; P204-F207 HydrophobicContact CG-CE2 4.4Å; P204-F207 PolarHBondContact O-N 3.29Å; Y205-F207 PolarHBondContact O-N 3.07Å; F207-G223 WeakPolarHBondContact O-CA 3.47Å; F207-G223 PolarHBondContact O-N 3.25Å; F207-R225 HydrophobicContact CD1-CB 3.98Å; F207-R225 VanDerWaalsContact CD1-NE 3.34Å; F207-R225 HydrophobicContact CD2-CB 3.65Å; F207-R225 VanDerWaalsContact CD2-O 3.3Å; F207-R225 WeakPolarHBondContact CD2-O 3.32Å; F207-R225 HydrophobicContact CE1-CB 3.92Å; F207-R225 HydrophobicContact CE1-CG 4.49Å; F207-R225 HydrophobicContact CE2-CB 3.57Å; F207-R225 VanDerWaalsContact CE2-O 3.26Å; F207-R225 WeakPolarHBondContact CE2-O 3.34Å; F207-R225 HydrophobicContact CG-CB 3.88Å; F207-R225 HydrophobicContact CZ-CB 3.72Å; F207-C226 VanDerWaalsContact CB-SG 3.5Å
208L96.2Very high94.3Very high24 Ų2461.4 Ų61.413%0.12631%0.307CS..EExtended strand (participates in β ladder)trans-74.4136.1168.1-58-178.9000109.8I189 W203 Y205 F220I189-L208 HydrophobicContact CD1-CD1 3.84Å; I189-L208 HydrophobicContact CG1-CD1 4.45Å; W203-L208 HydrophobicContact CB-CD2 3.91Å; Y205-L208 HydrophobicContact CD1-CD1 4.07Å; Y205-L208 WeakPolarHBondContact O-CB 3.5Å; Y205-L208 PolarHBondContact O-N 3.01Å; Y205-L208 VanDerWaalsContact O-N 3.09Å; L208-F220 HydrophobicContact CD2-CB 4.36Å; L208-F220 HydrophobicContact CD2-CD2 3.52Å; L208-F220 HydrophobicContact CD2-CE2 4.04Å; L208-F220 HydrophobicContact CD2-CG 4.06Å
209R95.8Very high94.9Very high118 Ų11856.9 Ų56.945%0.44529%0.29SS..EExtended strand (participates in β ladder)trans-89-37.1176.6-71.1171.5171.1157.73.7112.6E221 E230R209-E221 HydrophobicContact CB-CB 4.26Å; R209-E221 HydrophobicContact CB-CG 4.43Å; R209-E221 WeakPolarHBondContact CD-OE1 3.33Å; R209-E221 IonicContact CZ-OE1 3.34Å; R209-E221 PolarHBondContact N-O 2.7Å; R209-E221 IonicContact NE-OE1 3.42Å; R209-E221 IonicContact NH1-OE1 2.97Å; R209-E221 PolarHBondContact NH1-OE1 3.19Å; R209-E230 IonicContact CZ-OE2 2.7Å; R209-E230 IonicContact NH1-OE2 3.82Å; R209-E230 PolarHBondContact NH1-OE2 3.46Å; R209-E230 IonicContact NH2-OE2 3.15Å; R209-E230 PolarHBondContact NH2-OE2 2.99Å
210K95.9Very high95.4Very high126 Ų12654.4 Ų54.455%0.54828%0.275SS..EExtended strand (participates in β ladder)trans-162.6155.8177.768.9-158.7-173.1-143.60109.7F220 E221K210-F220 CarbonylContact O-C 3.45Å; K210-F220 VanDerWaalsContact O-CA 3.26Å; K210-F220 WeakPolarHBondContact O-CA 3.33Å; K210-F220 WeakPolarHBondContact O-CB 3.29Å; K210-E221 HydrophobicContact CD-CB 4.47Å; K210-E221 WeakPolarHBondContact CE-OE2 3.48Å; K210-E221 HydrophobicContact CG-CB 3.94Å; K210-E221 IonicContact NZ-OE2 3.65Å; K210-E221 PolarHBondContact NZ-OE2 3.32Å; K210-E221 PolarHBondContact O-N 3.17Å
211F97.1Very high95.6Very high75 Ų7552.9 Ų52.933%0.32927%0.265SS..EExtended strand (participates in β ladder)trans-143.3163.3171.965.3-84.2000109.6F218 S219 F220 V247 A248 I251F211-F218 HydrophobicContact CB-CE2 4.36Å; F211-F218 HydrophobicContact CB-CZ 4.39Å; F211-F218 HydrophobicContact CD2-CE2 4.3Å; F211-S219 CarbonylContact C-O 3.58Å; F211-S219 VanDerWaalsContact CA-O 3.25Å; F211-S219 WeakPolarHBondContact CA-O 3.5Å; F211-F220 HydrophobicContact CB-CB 3.83Å; F211-V247 HydrophobicContact CD1-CG1 4.27Å; F211-V247 HydrophobicContact CD2-CB 4.4Å; F211-V247 HydrophobicContact CD2-CG1 3.75Å; F211-V247 HydrophobicContact CE1-CG1 4.39Å; F211-V247 HydrophobicContact CE2-CB 4.38Å; F211-V247 HydrophobicContact CE2-CG1 3.86Å; F211-V247 HydrophobicContact CG-CG1 3.97Å; F211-V247 HydrophobicContact CZ-CG1 4.19Å; F211-A248 HydrophobicContact CE2-CB 4.02Å; F211-A248 HydrophobicContact CZ-CB 3.88Å; F211-I251 HydrophobicContact CD1-CD1 3.87Å; F211-I251 HydrophobicContact CE1-CD1 3.32Å; F211-I251 HydrophobicContact CZ-CD1 3.81Å
212G96.3Very high95.8Very high20 Ų2050 Ų5021%0.20625%0.254CS..EExtended strand (participates in β ladder)trans172.9173.4179.200000113.2S219G212-S219 PolarHBondContact N-O 2.87Å; G212-S219 PolarHBondContact O-N 2.81Å; G212-S219 PolarHBondContact O-OG 3.35Å
213S96Very high95.8Very high51 Ų5148.7 Ų48.736%0.35725%0.247SC..EExtended strand (participates in β ladder)trans-137.1137.5-179.657.30000112.8V217S213-V217 CarbonylContact C-O 3.56Å; S213-V217 WeakPolarHBondContact CA-O 3.5Å
214D93.1Very high95.8Very high95 Ų9557.9 Ų57.951%0.50828%0.281SS..EExtended strand (participates in β ladder)trans-136.4141.1169.1-179.234.7000109.6G216 V217D214-G216 VanDerWaalsContact C-N 3.32Å; D214-G216 PolarHBondContact O-N 2.7Å; D214-V217 PolarHBondContact N-O 2.91Å; D214-V217 WeakPolarHBondContact O-CA 3.41Å; D214-V217 PolarHBondContact O-N 3.15Å
215K92.4Very high95.7Very high179 Ų17964.9 Ų64.978%0.77830%0.304SS*.THydrogen-bonded Turntrans40.248.1172-66153.2-159.5132.50115.9V217K215-V217 VanDerWaalsContact C-N 3.33Å; K215-V217 PolarHBondContact O-N 2.97Å
216G92.6Very high95.7Very high20 Ų2064.8 Ų64.821%0.20630%0.304CS..THydrogen-bonded Turntrans73.620.9179.600000114.4D214 H236 T237D214-G216 VanDerWaalsContact C-N 3.32Å; D214-G216 PolarHBondContact O-N 2.7Å; G216-H236 WeakPolarHBondContact O-CA 3.4Å; G216-H236 PolarHBondContact O-ND1 3.29Å; G216-T237 CarbonylContact C-O 3.57Å; G216-T237 PolarHBondContact O-N 3.09Å
217V96.4Very high95.5Very high39 Ų3966.3 Ų66.324%0.23632%0.316CS..EExtended strand (participates in β ladder)trans-121.7121.5170.1-179.30000108.6Q166 S213 D214 K215 A234 F235 H236Q166-V217 HydrophobicContact CG-CG1 4.46Å; S213-V217 CarbonylContact C-O 3.56Å; S213-V217 WeakPolarHBondContact CA-O 3.5Å; D214-V217 PolarHBondContact N-O 2.91Å; D214-V217 WeakPolarHBondContact O-CA 3.41Å; D214-V217 PolarHBondContact O-N 3.15Å; K215-V217 VanDerWaalsContact C-N 3.33Å; K215-V217 PolarHBondContact O-N 2.97Å; V217-A234 HydrophobicContact CG1-CB 4.14Å; V217-F235 CarbonylContact C-O 3.55Å; V217-F235 WeakPolarHBondContact CA-O 3.33Å; V217-H236 HydrophobicContact CG2-CB 4.47Å
218F97.6Very high95.5Very high0 Ų064.3 Ų64.30%031%0.308CS..EExtended strand (participates in β ladder)trans-91.4145.8167173.2-106.4000109.7L182 I189 F211 F220 A234 F235 A240 L243 C244 V247L182-F218 HydrophobicContact CD2-CD1 4.05Å; L182-F218 HydrophobicContact CD2-CE1 3.91Å; I189-F218 HydrophobicContact CD1-CZ 4.41Å; F211-F218 HydrophobicContact CB-CE2 4.36Å; F211-F218 HydrophobicContact CB-CZ 4.39Å; F211-F218 HydrophobicContact CD2-CE2 4.3Å; F218-F220 AromaticContact CE1-CD1 3.7Å; F218-F220 HydrophobicContact CE1-CD1 3.7Å; F218-F220 HydrophobicContact CE1-CE1 4.23Å; F218-F220 HydrophobicContact CZ-CD1 4.16Å; F218-A234 CarbonylContact O-C 3.59Å; F218-A234 WeakPolarHBondContact O-CA 3.39Å; F218-F235 HydrophobicContact CD1-CD2 4.26Å; F218-F235 PolarHBondContact N-O 3.37Å; F218-F235 PolarHBondContact O-N 3.11Å; F218-A240 HydrophobicContact CB-CB 4.31Å; F218-L243 HydrophobicContact CB-CD2 3.65Å; F218-L243 HydrophobicContact CB-CG 4.21Å; F218-L243 HydrophobicContact CD1-CD1 4.4Å; F218-L243 HydrophobicContact CD1-CD2 3.44Å; F218-L243 VanDerWaalsContact CD1-CD2 3.44Å; F218-L243 HydrophobicContact CD1-CG 3.81Å; F218-L243 HydrophobicContact CD2-CD2 4.31Å; F218-L243 HydrophobicContact CD2-CG 4.01Å; F218-L243 HydrophobicContact CE1-CD1 4.3Å; F218-L243 HydrophobicContact CE1-CD2 4.15Å; F218-L243 HydrophobicContact CE1-CG 4.13Å; F218-L243 HydrophobicContact CE2-CG 4.34Å; F218-L243 HydrophobicContact CG-CD2 3.53Å; F218-L243 HydrophobicContact CG-CG 3.73Å; F218-L243 HydrophobicContact CZ-CG 4.4Å; F218-C244 HydrophobicContact CD2-CB 4.17Å; F218-C244 HydrophobicContact CE2-CB 4.34Å; F218-V247 HydrophobicContact CE2-CG2 4.41Å; F218-V247 HydrophobicContact CZ-CB 4.45Å; F218-V247 HydrophobicContact CZ-CG1 4.48Å; F218-V247 HydrophobicContact CZ-CG2 3.88Å
219S97.4Very high95.4Very high34 Ų3464.3 Ų64.324%0.23831%0.314CS..EExtended strand (participates in β ladder)trans-152.2154.2-179.164.70000113F211 G212 F233F211-S219 CarbonylContact C-O 3.58Å; F211-S219 VanDerWaalsContact CA-O 3.25Å; F211-S219 WeakPolarHBondContact CA-O 3.5Å; G212-S219 PolarHBondContact N-O 2.87Å; G212-S219 PolarHBondContact O-N 2.81Å; G212-S219 PolarHBondContact O-OG 3.35Å; S219-F233 CarbonylContact C-O 3.55Å; S219-F233 WeakPolarHBondContact CA-O 3.44Å; S219-F233 VanDerWaalsContact CB-O 3.31Å; S219-F233 WeakPolarHBondContact CB-O 3.48Å
220F97.9Very high95.4Very high1 Ų162.2 Ų62.20%0.00431%0.309CS..EExtended strand (participates in β ladder)trans-148.3153.8171.960.7-99.8000112.1I189 W203 L208 K210 F211 F218 A222 F233 F235I189-F220 HydrophobicContact CD1-CD1 4.12Å; I189-F220 HydrophobicContact CD1-CE1 4.19Å; I189-F220 HydrophobicContact CG2-CE1 4.46Å; W203-F220 HydrophobicContact CB-CE2 4.38Å; W203-F220 AromaticContact CD1-CE2 3.99Å; W203-F220 AromaticContact CD2-CE2 3.67Å; W203-F220 HydrophobicContact CD2-CE2 3.67Å; W203-F220 AromaticContact CD2-CZ 3.5Å; W203-F220 HydrophobicContact CD2-CZ 3.5Å; W203-F220 VanDerWaalsContact CD2-CZ 3.5Å; W203-F220 AromaticContact CE2-CE2 3.84Å; W203-F220 AromaticContact CE2-CZ 3.81Å; W203-F220 HydrophobicContact CE3-CE1 4.34Å; W203-F220 HydrophobicContact CE3-CE2 4.12Å; W203-F220 AromaticContact CE3-CZ 3.46Å; W203-F220 HydrophobicContact CE3-CZ 3.46Å; W203-F220 VanDerWaalsContact CE3-CZ 3.46Å; W203-F220 AromaticContact CG-CE2 3.77Å; W203-F220 HydrophobicContact CG-CE2 3.77Å; W203-F220 HydrophobicContact CG-CZ 4.05Å; W203-F220 HydrophobicContact CH2-CZ 4.02Å; W203-F220 HydrophobicContact CZ2-CE2 4.42Å; W203-F220 HydrophobicContact CZ2-CZ 4.08Å; W203-F220 HydrophobicContact CZ3-CE1 4.48Å; W203-F220 AromaticContact CZ3-CZ 3.72Å; W203-F220 HydrophobicContact CZ3-CZ 3.72Å; L208-F220 HydrophobicContact CD2-CB 4.36Å; L208-F220 HydrophobicContact CD2-CD2 3.52Å; L208-F220 HydrophobicContact CD2-CE2 4.04Å; L208-F220 HydrophobicContact CD2-CG 4.06Å; K210-F220 CarbonylContact O-C 3.45Å; K210-F220 VanDerWaalsContact O-CA 3.26Å; K210-F220 WeakPolarHBondContact O-CA 3.33Å; K210-F220 WeakPolarHBondContact O-CB 3.29Å; F211-F220 HydrophobicContact CB-CB 3.83Å; F218-F220 AromaticContact CE1-CD1 3.7Å; F218-F220 HydrophobicContact CE1-CD1 3.7Å; F218-F220 HydrophobicContact CE1-CE1 4.23Å; F218-F220 HydrophobicContact CZ-CD1 4.16Å; F220-A222 HydrophobicContact CE2-CB 4.5Å; F220-F233 HydrophobicContact CD2-CB 4.33Å; F220-F233 HydrophobicContact CD2-CD2 4.35Å; F220-F233 HydrophobicContact CE1-CB 4.36Å; F220-F233 HydrophobicContact CE2-CB 3.84Å; F220-F233 AromaticContact CE2-CD2 3.73Å; F220-F233 HydrophobicContact CE2-CD2 3.73Å; F220-F233 HydrophobicContact CE2-CG 4.05Å; F220-F233 HydrophobicContact CZ-CB 3.84Å; F220-F233 HydrophobicContact CZ-CD2 4.38Å; F220-F233 HydrophobicContact CZ-CG 4.27Å; F220-F233 PolarHBondContact N-O 3.21Å; F220-F233 PolarHBondContact O-N 3.37Å; F220-F235 HydrophobicContact CD1-CE2 4.2Å; F220-F235 HydrophobicContact CE1-CD2 4.27Å; F220-F235 AromaticContact CE1-CE2 3.45Å; F220-F235 HydrophobicContact CE1-CE2 3.45Å; F220-F235 VanDerWaalsContact CE1-CE2 3.45Å; F220-F235 HydrophobicContact CE1-CZ 4.2Å; F220-F235 AromaticContact CZ-CE2 3.89Å; F220-F235 HydrophobicContact CZ-CE2 3.89Å; F220-F235 HydrophobicContact CZ-CZ 4.3Å
221E98Very high95.4Very high39 Ų3957.1 Ų57.118%0.18229%0.293CS..EExtended strand (participates in β ladder)trans-101113.2171.6-169.2-171148.500110R209 K210 G231R209-E221 HydrophobicContact CB-CB 4.26Å; R209-E221 HydrophobicContact CB-CG 4.43Å; R209-E221 WeakPolarHBondContact CD-OE1 3.33Å; R209-E221 IonicContact CZ-OE1 3.34Å; R209-E221 PolarHBondContact N-O 2.7Å; R209-E221 IonicContact NE-OE1 3.42Å; R209-E221 IonicContact NH1-OE1 2.97Å; R209-E221 PolarHBondContact NH1-OE1 3.19Å; K210-E221 HydrophobicContact CD-CB 4.47Å; K210-E221 WeakPolarHBondContact CE-OE2 3.48Å; K210-E221 HydrophobicContact CG-CB 3.94Å; K210-E221 IonicContact NZ-OE2 3.65Å; K210-E221 PolarHBondContact NZ-OE2 3.32Å; K210-E221 PolarHBondContact O-N 3.17Å; E221-G231 WeakPolarHBondContact CA-O 3.44Å
222A97.5Very high95.4Very high0 Ų057.6 Ų57.60%030%0.298CS..EExtended strand (participates in β ladder)trans-75.5138.5172.200000110.4F220 C226 E230 G231 F233F220-A222 HydrophobicContact CE2-CB 4.5Å; A222-C226 HydrophobicContact CB-CB 4.26Å; A222-E230 WeakPolarHBondContact O-CA 3.36Å; A222-E230 WeakPolarHBondContact O-CB 3.39Å; A222-G231 PolarHBondContact N-O 2.85Å; A222-G231 PolarHBondContact O-N 2.84Å; A222-F233 HydrophobicContact CB-CD2 4.12Å; A222-F233 HydrophobicContact CB-CE2 3.88Å
223G95.9Very high95.5Very high7 Ų756.7 Ų56.77%0.07229%0.288CS..  trans-83165.8170.400000113.2F207 R225 C226F207-G223 WeakPolarHBondContact O-CA 3.47Å; F207-G223 PolarHBondContact O-N 3.25Å; G223-R225 PolarHBondContact O-N 2.84Å; G223-C226 PolarHBondContact O-N 2.79Å
224R95.6Very high95.6Very high192 Ų19254.8 Ų54.873%0.72528%0.276SS*.THydrogen-bonded Turntrans-56.9-6.6-178.9-64.5-172.4-60.7-157.42.9116.5E230R224-E230 WeakPolarHBondContact CD-OE1 3.39Å; R224-E230 HydrophobicContact CG-CB 3.81Å; R224-E230 HydrophobicContact CG-CG 3.9Å; R224-E230 WeakPolarHBondContact CG-OE1 3.21Å; R224-E230 WeakPolarHBondContact CG-OE2 3.35Å
225R94.1Very high95.7Very high177 Ų17750.2 Ų50.267%0.66825%0.251SS*.THydrogen-bonded Turntrans-99.7-0.2179.6-61.5-173.2-63.8-141.11.9113.3F207 G223F207-R225 HydrophobicContact CD1-CB 3.98Å; F207-R225 VanDerWaalsContact CD1-NE 3.34Å; F207-R225 HydrophobicContact CD2-CB 3.65Å; F207-R225 VanDerWaalsContact CD2-O 3.3Å; F207-R225 WeakPolarHBondContact CD2-O 3.32Å; F207-R225 HydrophobicContact CE1-CB 3.92Å; F207-R225 HydrophobicContact CE1-CG 4.49Å; F207-R225 HydrophobicContact CE2-CB 3.57Å; F207-R225 VanDerWaalsContact CE2-O 3.26Å; F207-R225 WeakPolarHBondContact CE2-O 3.34Å; F207-R225 HydrophobicContact CG-CB 3.88Å; F207-R225 HydrophobicContact CZ-CB 3.72Å; G223-R225 PolarHBondContact O-N 2.84Å
226C94.4Very high96Very high6 Ų646 Ų464%0.04123%0.234CC..SBendtrans-85.7146.3168.8-52.10000109.9F207 A222 G223 S228 G229F207-C226 VanDerWaalsContact CB-SG 3.5Å; A222-C226 HydrophobicContact CB-CB 4.26Å; G223-C226 PolarHBondContact O-N 2.79Å; C226-S228 PolarHBondContact O-N 3.15Å; C226-S228 VanDerWaalsContact O-N 3.11Å; C226-G229 WeakPolarHBondContact O-CA 3.33Å; C226-G229 PolarHBondContact O-N 3.43Å
227D91.1Very high96.1Very high142 Ų14245.1 Ų45.176%0.75923%0.225SC*.THydrogen-bonded Turntrans-62.3-22.3-178.5-52.9-48.1000113.3G229D227-G229 PolarHBondContact O-N 2.82Å
228S93.6Very high95.8Very high5 Ų548.9 Ų48.94%0.03525%0.25CS..THydrogen-bonded Turntrans-68.1-9.3171.565.20000114.5R173 C174 W203 C226R173-S228 PolarHBondContact NE-O 3.11Å; R173-S228 PolarHBondContact NH2-O 3.37Å; C174-S228 PolarHBondContact SG-O 3.11Å; C174-S228 VanDerWaalsContact SG-O 3.4Å; W203-S228 PolarHBondContact NE1-OG 3.18Å; C226-S228 PolarHBondContact O-N 3.15Å; C226-S228 VanDerWaalsContact O-N 3.11Å
229G94.3Very high95.5Very high25 Ų2550.7 Ų50.726%0.25826%0.262SS..  trans65.2-177.7-158.700000112.2C226 D227C226-G229 WeakPolarHBondContact O-CA 3.33Å; C226-G229 PolarHBondContact O-N 3.43Å; D227-G229 PolarHBondContact O-N 2.82Å
230E96.4Very high95.4Very high74 Ų7449.1 Ų49.135%0.34625%0.251SS..SBendtrans-79.4156.4-178.673.3-173.713100114.2R173 R209 A222 R224R173-E230 PolarHBondContact NH1-O 3.2Å; R173-E230 PolarHBondContact NH2-O 2.95Å; R209-E230 IonicContact CZ-OE2 2.7Å; R209-E230 IonicContact NH1-OE2 3.82Å; R209-E230 PolarHBondContact NH1-OE2 3.46Å; R209-E230 IonicContact NH2-OE2 3.15Å; R209-E230 PolarHBondContact NH2-OE2 2.99Å; A222-E230 WeakPolarHBondContact O-CA 3.36Å; A222-E230 WeakPolarHBondContact O-CB 3.39Å; R224-E230 WeakPolarHBondContact CD-OE1 3.39Å; R224-E230 HydrophobicContact CG-CB 3.81Å; R224-E230 HydrophobicContact CG-CG 3.9Å; R224-E230 WeakPolarHBondContact CG-OE1 3.21Å; R224-E230 WeakPolarHBondContact CG-OE2 3.35Å
231G96.4Very high95.1Very high19 Ų1952.3 Ų52.320%0.19627%0.272CS..EExtended strand (participates in β ladder)trans137.7177.9169.800000114.2E221 A222E221-G231 WeakPolarHBondContact CA-O 3.44Å; A222-G231 PolarHBondContact N-O 2.85Å; A222-G231 PolarHBondContact O-N 2.84Å
232L97.3Very high94.9Very high85 Ų8553.5 Ų53.545%0.44528%0.28SS..EExtended strand (participates in β ladder)trans-81.3125.6-178.8-175.168.6000111.3T168T168-L232 WeakPolarHBondContact CB-O 3.39Å; T168-L232 WeakPolarHBondContact CG2-O 3.19Å; T168-L232 PolarHBondContact OG1-O 3.49Å
233F97.8Very high94.7Very high0 Ų053.5 Ų53.50%028%0.28CS..EExtended strand (participates in β ladder)trans-107.6140.4164.3-64.8-88.3000108.9A170 A171 C174 L176 W203 S219 F220 A222 F235A170-F233 HydrophobicContact CB-CD1 4.47Å; A170-F233 HydrophobicContact CB-CD2 4.4Å; A170-F233 HydrophobicContact CB-CE1 3.89Å; A170-F233 HydrophobicContact CB-CE2 3.81Å; A170-F233 HydrophobicContact CB-CZ 3.5Å; A171-F233 HydrophobicContact CB-CD1 4.41Å; C174-F233 HydrophobicContact CB-CE1 4.39Å; L176-F233 HydrophobicContact CD1-CD1 4.34Å; L176-F233 HydrophobicContact CD1-CE1 4.09Å; W203-F233 HydrophobicContact CZ2-CD1 4.11Å; W203-F233 HydrophobicContact CZ2-CD2 4.36Å; W203-F233 HydrophobicContact CZ2-CE1 4.16Å; W203-F233 HydrophobicContact CZ2-CE2 4.42Å; W203-F233 HydrophobicContact CZ2-CG 4.23Å; W203-F233 HydrophobicContact CZ2-CZ 4.33Å; W203-F233 AromaticContact NE1-CE2 3.86Å; S219-F233 CarbonylContact C-O 3.55Å; S219-F233 WeakPolarHBondContact CA-O 3.44Å; S219-F233 VanDerWaalsContact CB-O 3.31Å; S219-F233 WeakPolarHBondContact CB-O 3.48Å; F220-F233 HydrophobicContact CD2-CB 4.33Å; F220-F233 HydrophobicContact CD2-CD2 4.35Å; F220-F233 HydrophobicContact CE1-CB 4.36Å; F220-F233 HydrophobicContact CE2-CB 3.84Å; F220-F233 AromaticContact CE2-CD2 3.73Å; F220-F233 HydrophobicContact CE2-CD2 3.73Å; F220-F233 HydrophobicContact CE2-CG 4.05Å; F220-F233 HydrophobicContact CZ-CB 3.84Å; F220-F233 HydrophobicContact CZ-CD2 4.38Å; F220-F233 HydrophobicContact CZ-CG 4.27Å; F220-F233 PolarHBondContact N-O 3.21Å; F220-F233 PolarHBondContact O-N 3.37Å; A222-F233 HydrophobicContact CB-CD2 4.12Å; A222-F233 HydrophobicContact CB-CE2 3.88Å; F233-F235 HydrophobicContact CB-CE2 3.62Å; F233-F235 HydrophobicContact CB-CZ 3.94Å
234A97.1Very high94.6Very high11 Ų1154.3 Ų54.39%0.09128%0.284CS..EExtended strand (participates in β ladder)trans-140.6145.8-17800000110.6Q166 T168 V217 F218Q166-A234 HydrophobicContact CB-CB 3.92Å; Q166-A234 WeakPolarHBondContact CB-O 3.31Å; Q166-A234 HydrophobicContact CG-CB 4.44Å; Q166-A234 PolarHBondContact N-O 3.23Å; T168-A234 HydrophobicContact CG2-CB 4.1Å; V217-A234 HydrophobicContact CG1-CB 4.14Å; F218-A234 CarbonylContact O-C 3.59Å; F218-A234 WeakPolarHBondContact O-CA 3.39Å
235F97.1Very high94.5Very high0 Ų051.1 Ų51.10%027%0.272CS..EExtended strand (participates in β ladder)trans-144.8117.8-164.8-60.5-83.8000109.2V163 V164 V165 L182 L191 W203 V217 F218 F220 F233V163-F235 HydrophobicContact CB-CB 3.99Å; V163-F235 HydrophobicContact CB-CD1 4.17Å; V163-F235 HydrophobicContact CB-CG 4.49Å; V163-F235 HydrophobicContact CG1-CB 3.87Å; V163-F235 HydrophobicContact CG2-CD1 3.91Å; V164-F235 CarbonylContact O-C 3.45Å; V164-F235 WeakPolarHBondContact O-CA 3.46Å; V165-F235 HydrophobicContact CG2-CD1 4.25Å; V165-F235 HydrophobicContact CG2-CE1 4.07Å; L182-F235 HydrophobicContact CD1-CE1 4.27Å; L182-F235 HydrophobicContact CD1-CE2 4.48Å; L182-F235 HydrophobicContact CD1-CZ 4.16Å; L191-F235 HydrophobicContact CD1-CD1 4.41Å; L191-F235 HydrophobicContact CD1-CE1 3.7Å; L191-F235 HydrophobicContact CD1-CZ 4.41Å; L191-F235 HydrophobicContact CD2-CE1 4.3Å; W203-F235 HydrophobicContact CH2-CZ 4.28Å; V217-F235 CarbonylContact C-O 3.55Å; V217-F235 WeakPolarHBondContact CA-O 3.33Å; F218-F235 HydrophobicContact CD1-CD2 4.26Å; F218-F235 PolarHBondContact N-O 3.37Å; F218-F235 PolarHBondContact O-N 3.11Å; F220-F235 HydrophobicContact CD1-CE2 4.2Å; F220-F235 HydrophobicContact CE1-CD2 4.27Å; F220-F235 AromaticContact CE1-CE2 3.45Å; F220-F235 HydrophobicContact CE1-CE2 3.45Å; F220-F235 VanDerWaalsContact CE1-CE2 3.45Å; F220-F235 HydrophobicContact CE1-CZ 4.2Å; F220-F235 AromaticContact CZ-CE2 3.89Å; F220-F235 HydrophobicContact CZ-CE2 3.89Å; F220-F235 HydrophobicContact CZ-CZ 4.3Å; F233-F235 HydrophobicContact CB-CE2 3.62Å; F233-F235 HydrophobicContact CB-CZ 3.94Å
236H96.7Very high94.5Very high89 Ų8944 Ų4441%0.41225%0.252SS..EExtended strand (participates in β ladder)trans-80129.9173.2179.951000110.2V163 V164 Q166 G216 V217V163-H236 WeakPolarHBondContact CA-O 3.41Å; V164-H236 HydrophobicContact CB-CB 4.44Å; V164-H236 PolarHBondContact N-O 3.27Å; V164-H236 PolarHBondContact O-N 3.34Å; Q166-H236 HydrophobicContact CG-CB 4.45Å; G216-H236 WeakPolarHBondContact O-CA 3.4Å; G216-H236 PolarHBondContact O-ND1 3.29Å; V217-H236 HydrophobicContact CG2-CB 4.47Å
237T94.8Very high94.5Very high2 Ų243.8 Ų43.81%0.01225%0.25CC..  trans-162.4140.9175.5178.50000110.2P162 V163 G216 C239 A240 L243P162-T237 WeakPolarHBondContact O-CB 3.25Å; P162-T237 PolarHBondContact O-OG1 3.17Å; V163-T237 HydrophobicContact CG1-CG2 3.91Å; G216-T237 CarbonylContact C-O 3.57Å; G216-T237 PolarHBondContact O-N 3.09Å; T237-C239 VanDerWaalsContact C-N 3.29Å; T237-C239 PolarHBondContact O-N 3.42Å; T237-C239 PolarHBondContact OG1-SG 2.9Å; T237-A240 HydrophobicContact CG2-CB 4.06Å; T237-A240 WeakPolarHBondContact O-CB 3.45Å; T237-A240 PolarHBondContact O-N 3.19Å; T237-L243 HydrophobicContact CG2-CD2 4.02Å
238P91.6Very high94.6Very high119 Ų11938.8 Ų38.877%0.77323%0.228SC*.THydrogen-bonded Turntrans-63.1-34.2179.925.2-34.8000112.7A240P238-A240 VanDerWaalsContact C-N 3.26Å; P238-A240 PolarHBondContact O-N 3.15Å
239C91.4Very high94.6Very high37 Ų3742.2 Ų42.225%0.2524%0.244CC..THydrogen-bonded Turntrans-8929.9177.649.70000113.2T237 P241 D242 L243T237-C239 VanDerWaalsContact C-N 3.29Å; T237-C239 PolarHBondContact O-N 3.42Å; T237-C239 PolarHBondContact OG1-SG 2.9Å; C239-P241 VanDerWaalsContact C-CD 3.42Å; C239-D242 HydrophobicContact CB-CB 4.49Å; C239-D242 PolarHBondContact O-N 3.07Å; C239-D242 VanDerWaalsContact O-N 3.17Å; C239-L243 WeakPolarHBondContact O-CB 3.36Å; C239-L243 PolarHBondContact O-N 2.99Å
240A94Very high94.4Very high1 Ų141.9 Ų41.91%0.00824%0.238CC..Hα-helixtrans-53.1-40175.300000115.5F218 T237 P238 D242 C244F218-A240 HydrophobicContact CB-CB 4.31Å; T237-A240 HydrophobicContact CG2-CB 4.06Å; T237-A240 WeakPolarHBondContact O-CB 3.45Å; T237-A240 PolarHBondContact O-N 3.19Å; P238-A240 VanDerWaalsContact C-N 3.26Å; P238-A240 PolarHBondContact O-N 3.15Å; A240-D242 VanDerWaalsContact C-N 3.35Å; A240-C244 WeakPolarHBondContact O-CB 3.18Å; A240-C244 PolarHBondContact O-N 3.18Å
241P93.1Very high94.2Very high69 Ų6939.9 Ų39.945%0.44823%0.23SC..Hα-helixtrans-68.2-34.6176.726.6-34.3000112.3C239 C244 R245C239-P241 VanDerWaalsContact C-CD 3.42Å; P241-C244 WeakPolarHBondContact O-CB 3.23Å; P241-C244 PolarHBondContact O-N 3.18Å; P241-R245 PolarHBondContact O-N 2.81Å
242D92Very high94Very high64 Ų6441.9 Ų41.934%0.34224%0.238SC..Hα-helixtrans-76.2-39-177.9-50.7-66.8000111.7C239 A240 C244 R245 A246C239-D242 HydrophobicContact CB-CB 4.49Å; C239-D242 PolarHBondContact O-N 3.07Å; C239-D242 VanDerWaalsContact O-N 3.17Å; A240-D242 VanDerWaalsContact C-N 3.35Å; D242-C244 VanDerWaalsContact C-N 3.28Å; D242-C244 PolarHBondContact O-N 2.8Å; D242-R245 WeakPolarHBondContact O-CB 3.31Å; D242-R245 PolarHBondContact O-N 3.45Å; D242-R245 IonicContact OD1-CZ 2.86Å; D242-R245 VanDerWaalsContact OD1-CZ 3.29Å; D242-R245 IonicContact OD1-NH1 2.71Å; D242-R245 PolarHBondContact OD1-NH1 3.1Å; D242-R245 IonicContact OD1-NH2 3.16Å; D242-R245 PolarHBondContact OD1-NH2 3.3Å; D242-A246 WeakPolarHBondContact O-CB 3.26Å; D242-A246 PolarHBondContact O-N 2.91Å
243L93.6Very high93.5Very high0 Ų044.3 Ų44.30%024%0.241CC..Hα-helixtrans-56.5-42.1165.7169.154.2000111.5F161 V163 L182 L184 F218 T237 C239 A246 V247F161-L243 HydrophobicContact CB-CD1 4.38Å; F161-L243 HydrophobicContact CB-CD2 4.1Å; F161-L243 HydrophobicContact CD1-CB 3.74Å; F161-L243 HydrophobicContact CD1-CD1 4.48Å; F161-L243 HydrophobicContact CD1-CG 4.49Å; F161-L243 HydrophobicContact CD2-CB 4.3Å; F161-L243 HydrophobicContact CD2-CD1 3.5Å; F161-L243 HydrophobicContact CD2-CG 4.33Å; F161-L243 HydrophobicContact CE1-CB 3.85Å; F161-L243 HydrophobicContact CE2-CB 4.39Å; F161-L243 HydrophobicContact CE2-CD1 3.83Å; F161-L243 HydrophobicContact CG-CB 3.97Å; F161-L243 HydrophobicContact CG-CD1 3.86Å; F161-L243 HydrophobicContact CG-CD2 4.23Å; F161-L243 HydrophobicContact CG-CG 4.22Å; F161-L243 HydrophobicContact CZ-CB 4.18Å; F161-L243 HydrophobicContact CZ-CD1 4.44Å; V163-L243 HydrophobicContact CG1-CD2 4.47Å; L182-L243 HydrophobicContact CD2-CD1 3.89Å; L182-L243 HydrophobicContact CD2-CD2 3.89Å; L182-L243 HydrophobicContact CD2-CG 4.5Å; L184-L243 HydrophobicContact CD1-CD1 4.22Å; L184-L243 HydrophobicContact CD2-CD1 4.07Å; L184-L243 HydrophobicContact CG-CD1 4.37Å; F218-L243 HydrophobicContact CB-CD2 3.65Å; F218-L243 HydrophobicContact CB-CG 4.21Å; F218-L243 HydrophobicContact CD1-CD1 4.4Å; F218-L243 HydrophobicContact CD1-CD2 3.44Å; F218-L243 VanDerWaalsContact CD1-CD2 3.44Å; F218-L243 HydrophobicContact CD1-CG 3.81Å; F218-L243 HydrophobicContact CD2-CD2 4.31Å; F218-L243 HydrophobicContact CD2-CG 4.01Å; F218-L243 HydrophobicContact CE1-CD1 4.3Å; F218-L243 HydrophobicContact CE1-CD2 4.15Å; F218-L243 HydrophobicContact CE1-CG 4.13Å; F218-L243 HydrophobicContact CE2-CG 4.34Å; F218-L243 HydrophobicContact CG-CD2 3.53Å; F218-L243 HydrophobicContact CG-CG 3.73Å; F218-L243 HydrophobicContact CZ-CG 4.4Å; T237-L243 HydrophobicContact CG2-CD2 4.02Å; C239-L243 WeakPolarHBondContact O-CB 3.36Å; C239-L243 PolarHBondContact O-N 2.99Å; L243-A246 PolarHBondContact O-N 2.83Å; L243-V247 HydrophobicContact CD1-CG2 4.01Å; L243-V247 WeakPolarHBondContact O-CB 3.39Å; L243-V247 VanDerWaalsContact O-CG2 3.31Å; L243-V247 WeakPolarHBondContact O-CG2 3.15Å; L243-V247 PolarHBondContact O-N 2.92Å
244C94.8Very high93Very high23 Ų2344.8 Ų44.816%0.15524%0.244CC..Hα-helixtrans-64.9-41.1176.7-164.40000112.3F218 A240 P241 D242 A248F218-C244 HydrophobicContact CD2-CB 4.17Å; F218-C244 HydrophobicContact CE2-CB 4.34Å; A240-C244 WeakPolarHBondContact O-CB 3.18Å; A240-C244 PolarHBondContact O-N 3.18Å; P241-C244 WeakPolarHBondContact O-CB 3.23Å; P241-C244 PolarHBondContact O-N 3.18Å; D242-C244 VanDerWaalsContact C-N 3.28Å; D242-C244 PolarHBondContact O-N 2.8Å; C244-A248 PolarHBondContact O-N 2.91Å; C244-A248 VanDerWaalsContact O-N 3.15Å
245R93.7Very high92.5Very high125 Ų12552.6 Ų52.647%0.47227%0.271SS..Hα-helixtrans-61.8-51.4173.9-165.9-167.7-5699.13.8111.2P241 D242 V247 A248 E249P241-R245 PolarHBondContact O-N 2.81Å; D242-R245 WeakPolarHBondContact O-CB 3.31Å; D242-R245 PolarHBondContact O-N 3.45Å; D242-R245 IonicContact OD1-CZ 2.86Å; D242-R245 VanDerWaalsContact OD1-CZ 3.29Å; D242-R245 IonicContact OD1-NH1 2.71Å; D242-R245 PolarHBondContact OD1-NH1 3.1Å; D242-R245 IonicContact OD1-NH2 3.16Å; D242-R245 PolarHBondContact OD1-NH2 3.3Å; R245-V247 VanDerWaalsContact C-N 3.32Å; R245-V247 PolarHBondContact O-N 2.8Å; R245-A248 WeakPolarHBondContact O-CB 3.41Å; R245-A248 PolarHBondContact O-N 2.79Å; R245-E249 PolarHBondContact O-N 3.14Å
246A93.1Very high91.9Very high29 Ų2959.2 Ų59.224%0.2430%0.302CS..Hα-helixtrans-62.1-36.3-178.500000112.7F161 L184 D242 L243 E249 A250F161-A246 HydrophobicContact CE2-CB 4.4Å; F161-A246 HydrophobicContact CZ-CB 4.1Å; L184-A246 HydrophobicContact CD1-CB 3.54Å; D242-A246 WeakPolarHBondContact O-CB 3.26Å; D242-A246 PolarHBondContact O-N 2.91Å; L243-A246 PolarHBondContact O-N 2.83Å; A246-E249 PolarHBondContact O-N 2.88Å; A246-A250 WeakPolarHBondContact O-CB 3.48Å; A246-A250 PolarHBondContact O-N 3.32Å
247V94.6Very high91Very high0 Ų062.9 Ų62.90%031%0.312CS..Hα-helixtrans-64.5-43.5171.6167.50000111.6L184 I189 Y205 F211 F218 L243 R245 E249 A250 I251L184-V247 HydrophobicContact CD1-CG2 3.83Å; L184-V247 HydrophobicContact CD2-CG2 3.55Å; L184-V247 HydrophobicContact CG-CG2 4.37Å; I189-V247 HydrophobicContact CD1-CG1 4.26Å; I189-V247 HydrophobicContact CD1-CG2 3.94Å; I189-V247 HydrophobicContact CG1-CG2 4.49Å; Y205-V247 HydrophobicContact CE1-CG1 4.23Å; F211-V247 HydrophobicContact CD1-CG1 4.27Å; F211-V247 HydrophobicContact CD2-CB 4.4Å; F211-V247 HydrophobicContact CD2-CG1 3.75Å; F211-V247 HydrophobicContact CE1-CG1 4.39Å; F211-V247 HydrophobicContact CE2-CB 4.38Å; F211-V247 HydrophobicContact CE2-CG1 3.86Å; F211-V247 HydrophobicContact CG-CG1 3.97Å; F211-V247 HydrophobicContact CZ-CG1 4.19Å; F218-V247 HydrophobicContact CE2-CG2 4.41Å; F218-V247 HydrophobicContact CZ-CB 4.45Å; F218-V247 HydrophobicContact CZ-CG1 4.48Å; F218-V247 HydrophobicContact CZ-CG2 3.88Å; L243-V247 HydrophobicContact CD1-CG2 4.01Å; L243-V247 WeakPolarHBondContact O-CB 3.39Å; L243-V247 VanDerWaalsContact O-CG2 3.31Å; L243-V247 WeakPolarHBondContact O-CG2 3.15Å; L243-V247 PolarHBondContact O-N 2.92Å; R245-V247 VanDerWaalsContact C-N 3.32Å; R245-V247 PolarHBondContact O-N 2.8Å; V247-E249 VanDerWaalsContact C-N 3.34Å; V247-E249 PolarHBondContact O-N 3.02Å; V247-A250 PolarHBondContact O-N 3.09Å; V247-I251 HydrophobicContact CG1-CD1 3.69Å; V247-I251 HydrophobicContact CG1-CG1 4.49Å; V247-I251 WeakPolarHBondContact O-CB 3.34Å; V247-I251 WeakPolarHBondContact O-CD1 3.49Å; V247-I251 WeakPolarHBondContact O-CG1 3.48Å; V247-I251 PolarHBondContact O-N 3.18Å
248A94.4Very high89.8Confident38 Ų3867.1 Ų67.131%0.31433%0.334SS..Hα-helixtrans-64.1-38.2177.500000112.6F211 C244 R245 T252F211-A248 HydrophobicContact CE2-CB 4.02Å; F211-A248 HydrophobicContact CZ-CB 3.88Å; C244-A248 PolarHBondContact O-N 2.91Å; C244-A248 VanDerWaalsContact O-N 3.15Å; R245-A248 WeakPolarHBondContact O-CB 3.41Å; R245-A248 PolarHBondContact O-N 2.79Å; A248-T252 WeakPolarHBondContact O-CB 3.26Å; A248-T252 PolarHBondContact O-N 3.17Å; A248-T252 VanDerWaalsContact O-N 3.12Å; A248-T252 PolarHBondContact O-OG1 2.9Å
249E92.1Very high88.1Confident77 Ų7766.2 Ų66.236%0.3633%0.328SS..Hα-helixtrans-65.8-48.4173.3-73.8-176.7-129.600112.4R245 A246 V247 I251 T252 R253R245-E249 PolarHBondContact O-N 3.14Å; A246-E249 PolarHBondContact O-N 2.88Å; V247-E249 VanDerWaalsContact C-N 3.34Å; V247-E249 PolarHBondContact O-N 3.02Å; E249-I251 VanDerWaalsContact C-N 3.31Å; E249-I251 PolarHBondContact O-N 2.83Å; E249-T252 WeakPolarHBondContact O-CA 2.97Å; E249-T252 WeakPolarHBondContact O-CB 3.32Å; E249-T252 PolarHBondContact O-N 2.83Å; E249-R253 WeakPolarHBondContact O-CG 3.29Å; E249-R253 PolarHBondContact O-N 3.42Å; E249-R253 IonicContact OE2-CZ 3.72Å; E249-R253 IonicContact OE2-NE 3.23Å; E249-R253 IonicContact OE2-NH2 2.65Å; E249-R253 PolarHBondContact OE2-NH2 2.71Å
250A91.7Very high86.3Confident17 Ų1773.4 Ų73.414%0.1436%0.358CS..Hα-helixtrans-59.1-42.7179.100000111.9Y205 A246 V247 T252 R253 Q254Y205-A250 HydrophobicContact CE1-CB 4.37Å; Y205-A250 HydrophobicContact CE2-CB 3.69Å; Y205-A250 VanDerWaalsContact OH-CB 3.29Å; Y205-A250 WeakPolarHBondContact OH-CB 3.48Å; A246-A250 WeakPolarHBondContact O-CB 3.48Å; A246-A250 PolarHBondContact O-N 3.32Å; V247-A250 PolarHBondContact O-N 3.09Å; A250-T252 VanDerWaalsContact C-N 3.28Å; A250-T252 PolarHBondContact O-N 3.24Å; A250-R253 PolarHBondContact O-N 3.45Å; A250-Q254 WeakPolarHBondContact O-CB 3.49Å; A250-Q254 PolarHBondContact O-N 2.92Å
251I92.3Very high84.1Confident32 Ų3280.5 Ų80.516%0.16440%0.395CS..Hα-helixtrans-59.5-38.7172.6-69.2165.5000111.6Y205 F211 V247 E249 R255Y205-I251 HydrophobicContact CD1-CD1 4.05Å; Y205-I251 HydrophobicContact CD1-CG1 3.51Å; Y205-I251 HydrophobicContact CD2-CG1 4.43Å; Y205-I251 HydrophobicContact CE1-CG1 4.15Å; Y205-I251 HydrophobicContact CG-CG1 3.7Å; F211-I251 HydrophobicContact CD1-CD1 3.87Å; F211-I251 HydrophobicContact CE1-CD1 3.32Å; F211-I251 HydrophobicContact CZ-CD1 3.81Å; V247-I251 HydrophobicContact CG1-CD1 3.69Å; V247-I251 HydrophobicContact CG1-CG1 4.49Å; V247-I251 WeakPolarHBondContact O-CB 3.34Å; V247-I251 WeakPolarHBondContact O-CD1 3.49Å; V247-I251 WeakPolarHBondContact O-CG1 3.48Å; V247-I251 PolarHBondContact O-N 3.18Å; E249-I251 VanDerWaalsContact C-N 3.31Å; E249-I251 PolarHBondContact O-N 2.83Å; I251-R255 WeakPolarHBondContact O-CD 3.47Å; I251-R255 VanDerWaalsContact O-CG 3.24Å; I251-R255 WeakPolarHBondContact O-CG 3.21Å; I251-R255 PolarHBondContact O-N 3.14Å; I251-R255 VanDerWaalsContact O-N 3.13Å
252T90.8Very high81.9Confident61 Ų6181.5 Ų81.537%0.37441%0.409SS..Hα-helixtrans-70.5-48.8179.9-580000111A248 E249 A250 Q254 R255 E256A248-T252 WeakPolarHBondContact O-CB 3.26Å; A248-T252 PolarHBondContact O-N 3.17Å; A248-T252 VanDerWaalsContact O-N 3.12Å; A248-T252 PolarHBondContact O-OG1 2.9Å; E249-T252 WeakPolarHBondContact O-CA 2.97Å; E249-T252 WeakPolarHBondContact O-CB 3.32Å; E249-T252 PolarHBondContact O-N 2.83Å; A250-T252 VanDerWaalsContact C-N 3.28Å; A250-T252 PolarHBondContact O-N 3.24Å; T252-Q254 VanDerWaalsContact C-N 3.29Å; T252-Q254 PolarHBondContact O-N 3.47Å; T252-R255 WeakPolarHBondContact O-CB 3.49Å; T252-R255 PolarHBondContact O-N 2.98Å; T252-E256 WeakPolarHBondContact O-CG 3.36Å; T252-E256 PolarHBondContact O-N 2.96Å; T252-E256 VanDerWaalsContact O-N 3.09Å
253R87.3Confident79.5Confident136 Ų13689.2 Ų89.251%0.51343%0.433SS..Hα-helixtrans-59.4-36.7175.6-62.5173.9-162.2-145.911.6111.8E249 A250 R257E249-R253 WeakPolarHBondContact O-CG 3.29Å; E249-R253 PolarHBondContact O-N 3.42Å; E249-R253 IonicContact OE2-CZ 3.72Å; E249-R253 IonicContact OE2-NE 3.23Å; E249-R253 IonicContact OE2-NH2 2.65Å; E249-R253 PolarHBondContact OE2-NH2 2.71Å; A250-R253 PolarHBondContact O-N 3.45Å; R253-R257 VanDerWaalsContact O-CG 3.28Å; R253-R257 WeakPolarHBondContact O-CG 3.38Å; R253-R257 PolarHBondContact O-N 2.86Å
254Q88.1Confident77.1Confident11 Ų1193.1 Ų93.15%0.05147%0.466CS..Hα-helixtrans-66.8-40.7174.1-169.9-172.547.700112.2D187 A250 T252 E256 R257 L258D187-Q254 VanDerWaalsContact CA-NE2 3.28Å; D187-Q254 PolarHBondContact O-NE2 3.19Å; D187-Q254 PolarHBondContact OD1-NE2 3.35Å; A250-Q254 WeakPolarHBondContact O-CB 3.49Å; A250-Q254 PolarHBondContact O-N 2.92Å; T252-Q254 VanDerWaalsContact C-N 3.29Å; T252-Q254 PolarHBondContact O-N 3.47Å; Q254-E256 VanDerWaalsContact C-N 3.32Å; Q254-E256 PolarHBondContact O-N 3.05Å; Q254-R257 PolarHBondContact O-N 2.99Å; Q254-L258 HydrophobicContact CG-CD1 4.03Å; Q254-L258 PolarHBondContact O-N 2.94Å
255R85.9Confident74.7Confident175 Ų17599.3 Ų99.366%0.6649%0.493SS*.Hα-helixtrans-64.6-36.1178-73.5165.462-160-2.3112.4I251 T252 L258I251-R255 WeakPolarHBondContact O-CD 3.47Å; I251-R255 VanDerWaalsContact O-CG 3.24Å; I251-R255 WeakPolarHBondContact O-CG 3.21Å; I251-R255 PolarHBondContact O-N 3.14Å; I251-R255 VanDerWaalsContact O-N 3.13Å; T252-R255 WeakPolarHBondContact O-CB 3.49Å; T252-R255 PolarHBondContact O-N 2.98Å; R255-L258 PolarHBondContact O-N 3.45Å
256E84.6Confident72.1Confident138 Ų13899 Ų9965%0.64551%0.506SS*.Hα-helixtrans-67.7-36.2175-68.5164.8165.900111.9T252 Q254 L258T252-E256 WeakPolarHBondContact O-CG 3.36Å; T252-E256 PolarHBondContact O-N 2.96Å; T252-E256 VanDerWaalsContact O-N 3.09Å; Q254-E256 VanDerWaalsContact C-N 3.32Å; Q254-E256 PolarHBondContact O-N 3.05Å; E256-L258 VanDerWaalsContact C-N 3.27Å; E256-L258 PolarHBondContact O-N 2.86Å
257R77.7Confident69.4Low166 Ų166102 Ų10263%0.62653%0.525SS*.THydrogen-bonded Turntrans-74.2-8.2174.8-69.8169.9-179.9177.6-1.1114.7R253 Q254 P259R253-R257 VanDerWaalsContact O-CG 3.28Å; R253-R257 WeakPolarHBondContact O-CG 3.38Å; R253-R257 PolarHBondContact O-N 2.86Å; Q254-R257 PolarHBondContact O-N 2.99Å; R257-P259 VanDerWaalsContact C-CD 3.42Å; R257-P259 WeakPolarHBondContact O-CD 3.39Å
258L69.8Low66.9Low92 Ų92107.8 Ų107.848%0.48256%0.563SS.*  trans-120.968179.1-67172.4000112.9Q254 R255 E256 E260Q254-L258 HydrophobicContact CG-CD1 4.03Å; Q254-L258 PolarHBondContact O-N 2.94Å; R255-L258 PolarHBondContact O-N 3.45Å; E256-L258 VanDerWaalsContact C-N 3.27Å; E256-L258 PolarHBondContact O-N 2.86Å; L258-E260 PolarHBondContact O-N 2.93Å
259P56.1Low64.6Low100 Ų100113.2 Ų113.265%0.64959%0.585SS**THydrogen-bonded Turntrans-58.8-21-179.6-25.534.9000115.9R257R257-P259 VanDerWaalsContact C-CD 3.42Å; R257-P259 WeakPolarHBondContact O-CD 3.39Å
260E52.2Low62.2Low188 Ų188115.1 Ų115.188%0.87961%0.605SS**THydrogen-bonded Turntrans-120.24.5-152.5-155.6152.5-137.100115.9L258L258-E260 PolarHBondContact O-N 2.93Å
261L49.1Very low59.9Low149 Ų149125.1 Ų125.178%0.7864%0.639SS**THydrogen-bonded Turntrans-111.5-22.4171.3-134.1161.2000112.8R263L261-R263 VanDerWaalsContact C-N 3.34Å; L261-R263 PolarHBondContact O-N 2.92Å
262A45.7Very low57.3Low90 Ų90127.9 Ų127.974%0.74467%0.666SS**THydrogen-bonded Turntrans-83.3-2.6178.600000114.6A264A262-A264 VanDerWaalsContact C-N 3.27Å
263R42.3Very low55.1Low226 Ų226131.4 Ų131.485%0.85369%0.688SS**THydrogen-bonded Turntrans-88.716.5171.2-87-172.4175.5164.21.7114.3L261 Q265L261-R263 VanDerWaalsContact C-N 3.34Å; L261-R263 PolarHBondContact O-N 2.92Å; R263-Q265 VanDerWaalsContact C-N 3.31Å; R263-Q265 PolarHBondContact O-N 2.84Å
264A43.4Very low53Low82 Ų82129.7 Ų129.768%0.67870%0.697SS**  trans-58.399153.700000108.8A262A262-A264 VanDerWaalsContact C-N 3.27Å
265Q43.5Very low50.7Low154 Ų154137.1 Ų137.172%0.7274%0.736SS**  trans-45.5140.7169.3-74.5-79.5-12.800109.4R263 C267R263-Q265 VanDerWaalsContact C-N 3.31Å; R263-Q265 PolarHBondContact O-N 2.84Å; Q265-C267 PolarHBondContact O-N 2.82Å; Q265-C267 PolarHBondContact O-SG 2.84Å
266P39.7Very low48.6Very low117 Ų117134.7 Ų134.776%0.7674%0.743SS**  trans-61.592.7167.7-17.731.1000108.3P268P266-P268 VanDerWaalsContact O-CD 3.23Å; P266-P268 WeakPolarHBondContact O-CD 3.38Å; P266-P268 VanDerWaalsContact O-N 3.11Å
267C36.1Very low46.2Very low94 Ų94133 Ų13364%0.63575%0.746SS**  trans-59.6118.1-177.6-690000107.6Q265 L269Q265-C267 PolarHBondContact O-N 2.82Å; Q265-C267 PolarHBondContact O-SG 2.84Å; C267-L269 PolarHBondContact O-N 2.73Å
268P42.7Very low44.2Very low121 Ų121133.4 Ų133.479%0.78676%0.76SS**  trans-77.865.617833.5-34.5000109.5P266 P270P266-P268 VanDerWaalsContact O-CD 3.23Å; P266-P268 WeakPolarHBondContact O-CD 3.38Å; P266-P268 VanDerWaalsContact O-N 3.11Å; P268-P270 WeakPolarHBondContact O-CD 3.39Å
269L44.8Very low42.6Very low152 Ų152136.2 Ų136.280%0.79678%0.775SS**  22.871.1119.635.9126000115.3C267 R271C267-L269 PolarHBondContact O-N 2.73Å; L269-R271 PolarHBondContact O-N 2.85Å
270P41.6Very low41.7Very low117 Ų117136 Ų13676%0.7678%0.782SS**  trans-61.2108.917923.3-33.1000108.2P268 A272P268-P270 WeakPolarHBondContact O-CD 3.39Å; P270-A272 PolarHBondContact O-N 3.34Å; P270-A272 VanDerWaalsContact O-N 3.1Å
271R43.6Very low41.2Very low227 Ų227133.3 Ų133.386%0.85778%0.781SS**  trans-61.9115.4-174.4-173.9-179.2-170.8127.4-1.3108L269 T273L269-R271 PolarHBondContact O-N 2.85Å; R271-T273 PolarHBondContact O-N 3.14Å
272A38.9Very low40.5Very low90 Ų90129.5 Ų129.574%0.74478%0.778SS**  trans-64.992.5-176.300000111.2P270 S274P270-A272 PolarHBondContact O-N 3.34Å; P270-A272 VanDerWaalsContact O-N 3.1Å; A272-S274 PolarHBondContact O-N 3.11Å; A272-S274 VanDerWaalsContact O-N 3.11Å
273T44.4Very low40Very low135 Ų135134.4 Ų134.483%0.82879%0.785SS**  trans-8083.317544.20000110.1R271R271-T273 PolarHBondContact O-N 3.14Å
274S42.5Very low39.7Very low100 Ų100131.9 Ų131.970%0.69979%0.788SS**  trans-148.560.3172.265.90000112.2A272A272-S274 PolarHBondContact O-N 3.11Å; A272-S274 VanDerWaalsContact O-N 3.11Å
275L40.7Very low39.2Very low166 Ų166139.6 Ų139.687%0.86980%0.799SS**  trans-130.4130.4156.5-72.7176.3000107.7
276P41Very low38.9Very low124 Ų124140.8 Ų140.881%0.80581%0.805SS**PPolyproline II helixtrans-70.7146.7179.329.5-34.1000111
277S33.7Very low38.5Very low102 Ų102143.4 Ų143.471%0.71381%0.809SS**PPolyproline II helixtrans-71.4138.3176.247.40000111.7
278L36.5Very low38.7Very low176 Ų176143.9 Ų143.992%0.92181%0.811SS**PPolyproline II helixtrans-101.9125.5156.9-74.5167000107.2
279D35.7Very low39.3Very low151 Ų151144.3 Ų144.381%0.80781%0.814SS**PPolyproline II helixtrans-68.6150.1-178.5-71.5-62.7000112.6
280A36.7Very low38.5Very low96 Ų96140.5 Ų140.579%0.79381%0.811SS**PPolyproline II helixtrans-82.2131.2178.900000111.3
281P42.7Very low38.5Very low131 Ų131140.7 Ų140.785%0.85181%0.812SS**PPolyproline II helixtrans-71.7130.917129.8-33.1000110.6
282G33.7Very low37.9Very low69 Ų69138 Ų13871%0.71181%0.81SS**PPolyproline II helixtrans-86162.5-176.800000115.4
283E35.5Very low38.2Very low192 Ų192138.7 Ų138.790%0.89781%0.806SS**  trans5.5116.7161.1-56-176.1119.900119.5
284L36.2Very low38.3Very low174 Ų174136.9 Ų136.991%0.91180%0.797SS**  trans-136.999.4148.5-82.1-176.3000112.7
285R34Very low37.6Very low244 Ų244138.1 Ų138.192%0.92180%0.8SS**  trans15.3126.9144.6-143.9176.1-167.9174.82.9119.6
286E35.4Very low37.1Very low179 Ų179135.4 Ų135.484%0.83680%0.795SS**  trans-75.3138172-178.8179.7-153.200113.6
287M31.7Very low36.9Very low171 Ų171141.4 Ų141.484%0.84280%0.802SS**  trans-166.9143.7152.3-160.254.950.800111
288P41.6Very low36.9Very low104 Ų104146.3 Ų146.368%0.67581%0.805SS**  trans-115.5-165.6-172.643.8-34.3000113.2
289P53.8Low36.8Very low131 Ų131143.4 Ų143.485%0.85179%0.794SS**  cis-125.1171-37.825.6-5.6000113.4
290G29.5Very low36.8Very low72 Ų72145.7 Ų145.774%0.74279%0.791SS**  trans-170.5151168.700000114.1
291P41.1Very low36.7Very low121 Ų121148 Ų14879%0.78679%0.79SS**  trans-101.6154.5-16938.3-35.8000116.7
292E31.6Very low36Very low171 Ų171145.3 Ų145.380%0.79978%0.779SS**  trans26.4154.6137.5-56.1-62.211900122
293P43.4Very low36.2Very low104 Ų104149.7 Ų149.768%0.67578%0.78SS**  cis-131-115.4-45.637-18.1000109.7
294P46.9Very low36.6Very low96 Ų96146 Ų14662%0.62377%0.773SS**  -116.9-164.5-66.839.8-23.9000114
295T28.7Very low36.2Very low126 Ų126141 Ų14177%0.77376%0.764SS**  trans76.7117.4150.949.20000123.3
296S30.9Very low36.7Very low110 Ų110135.9 Ų135.977%0.76976%0.762SS**  57.2114.8124.3-177.50000121.7
297R36.4Very low36.8Very low250 Ų250136.2 Ų136.294%0.94376%0.764SS**  -143.7120.2122.6-157.2164.2-176.1159.3-0.2113.5
298R33.9Very low36.9Very low205 Ų205134 Ų13477%0.77476%0.764SS**  trans-93.5150.3168.6178.5-166.9-68.4-173.1-2.4108.9
299V33.5Very low36.7Very low115 Ų115137 Ų13770%0.69777%0.774SS**  trans170.7113.3136.1149.10000112.4
300R34.8Very low36.1Very low198 Ų198137.1 Ų137.175%0.74778%0.775SS**  48.3151.6125.4-50.8176.7-171.2-86.47.6119.8
301L34.8Very low36.3Very low146 Ų146141.7 Ų141.776%0.76478%0.781SS**  cis-153.5-1775.8-144.662.3000106.8
302A29.5Very low35.8Very low74 Ų74143.7 Ų143.761%0.61279%0.785SS**  cis-159.5159.86.800000112.7
303E36.3Very low35.7Very low160 Ų160143.4 Ų143.475%0.74879%0.788SS**  26155122.3-51.2-54.5115.100122.4
304P43.7Very low34.8Very low116 Ų116141.5 Ų141.575%0.75379%0.787SS**  cis-135.3-174.7-35.537.8-19.7000113.6
305G29.1Very low33.9Very low69 Ų69145.4 Ų145.471%0.71180%0.802SS**  trans-86.1-170.2-179.800000116.3
306P44.2Very low33.9Very low135 Ų135147.3 Ų147.388%0.87780%0.802SS**  -145.7-175100.441.1-26.8000115.6
307Q38Very low34.5Very low187 Ų187147.2 Ų147.287%0.87480%0.798SS**  trans-140.1155.3172-67.8-150.8-8.200112.3
308S32.3Very low34.1Very low123 Ų123140.5 Ų140.586%0.8679%0.79SS**  trans177.9165143.6-82.60000113.6
309L37.4Very low34.1Very low169 Ų169138 Ų13889%0.88579%0.792SS**  trans-113.7179.8-179.7-55169000110.8
310P41.4Very low34.8Very low132 Ų132137.7 Ų137.786%0.85779%0.792SS**  -152.7-167.37740.6-18.5000116.6
311L34.7Very low34.5Very low168 Ų168132.4 Ų132.488%0.8879%0.791SS**  trans-103.3165.6-176.4-75.4155.7000114
312L30.1Very low34.6Very low163 Ų163131.3 Ų131.385%0.85380%0.796SS**  trans-160.7170.6146-115.4172.9000113.8
313L28.9Very low34.8Very low165 Ų165131.1 Ų131.186%0.86480%0.801SS**  trans-110.5161.2-177.9-68.773.6000111.6
314G24.7Very low34.7Very low64 Ų64132.3 Ų132.366%0.6681%0.811SS**  trans143.6123.7136.300000119.7
315L28.1Very low34.1Very low179 Ų179135.9 Ų135.994%0.93781%0.811SS**  trans63.1129.4145-80.376.9000122.8
316E30.1Very low34.3Very low165 Ų165137.5 Ų137.577%0.77182%0.818SS**  trans-52.2166148-76.4-70.9130.100113.2
317P42.4Very low33.7Very low108 Ų108134.4 Ų134.470%0.70180%0.799SS**  cis-146.8-176.128.843.9-24.5000118.8
318S28.3Very low33.2Very low109 Ų109132 Ų13276%0.76280%0.797SS**  trans108.8129.5139.8700000121.2
319D33Very low33.1Very low152 Ų152131.7 Ų131.781%0.81379%0.793SS**  trans-74.3-177.9175.4-124.9-10.5000111.7
320P48.6Very low32.8Very low109 Ų109133.2 Ų133.271%0.70879%0.793SS**  cis-141163.916.342.3-23.7000119.4
321A29.4Very low32.1Very low88 Ų88138.1 Ų138.173%0.72779%0.794SS**  trans65153.9147.600000118.7
322S37.5Very low32Very low122 Ų122135.1 Ų135.185%0.85379%0.794SS**  cis-138.1161.3-2.4-55.10000108.2
323G32.3Very low32Very low70 Ų70132.6 Ų132.672%0.72279%0.79SS**  cis143134.40.300000110.7
324L35.1Very low32Very low185 Ų185128.1 Ų128.197%0.96978%0.783SS**  trans-161.3134.5163.9-110.3172.2000108.6
325Y31.8Very low32.5Very low192 Ų192132.3 Ų132.375%0.75379%0.79SS**  trans-129.7128.2-168.1-177.2-87000111.6S327Y325-S327 WeakPolarHBondContact OH-CB 3.32Å; Y325-S327 PolarHBondContact OH-OG 3.08Å
326A32.9Very low33Very low102 Ų102129.3 Ų129.384%0.84378%0.781SS**  trans-147113.516200000108.7
327S30.2Very low33Very low71 Ų71129.9 Ų129.950%0.49778%0.776SS.*  trans-120.9-179.6175.3-74.10000109.7Y325Y325-S327 WeakPolarHBondContact OH-CB 3.32Å; Y325-S327 PolarHBondContact OH-OG 3.08Å
328V28.7Very low32.6Very low137 Ų137130.6 Ų130.683%0.8378%0.779SS**  trans79.2128.9167.6-173.80000113.4
329C29.7Very low32.8Very low115 Ų115131.4 Ų131.478%0.77777%0.77SS**  cis-144.5166.62.8-146.20000113.5
330K31.7Very low33.3Very low202 Ų202132.5 Ų132.588%0.87877%0.77SS**  trans-65.1152.1155.4-73.9178.9174.4177.30109.8
331R26.8Very low32.6Very low235 Ų235135.1 Ų135.189%0.88778%0.778SS**  trans-123.2134.3158.1-162.8173-164.91374.6109.5
332A30.9Very low32.6Very low105 Ų105140.1 Ų140.187%0.86878%0.779SS**  trans-102.2122.4175.300000110.3
333S32.1Very low32.3Very low110 Ų110142.6 Ų142.677%0.76978%0.777SS**  trans-174.8139.4169.950.60000105.2
334G28.9Very low32.5Very low70 Ų70145.3 Ų145.372%0.72278%0.775SS**  cis158.3125.81000000104.7
335L35.1Very low32.6Very low152 Ų152144.2 Ų144.280%0.79677%0.769SS**  trans-75.3136.2-163.1-166.875.7000112.4R337L335-R337 HydrophobicContact CD2-CB 4.09Å
336P36.8Very low32.5Very low116 Ų116140.8 Ų140.875%0.75377%0.772SS**  trans-91.3113.3153.232.4-26000109.3
337R30.7Very low32.4Very low178 Ų178141.7 Ų141.767%0.67277%0.767SS**  trans-103.7114.7175.6-171.1175.5172.5-142.77.7108.4L335 E339L335-R337 HydrophobicContact CD2-CB 4.09Å; R337-E339 HydrophobicContact CB-CG 4.47Å; R337-E339 WeakPolarHBondContact CD-OE1 3.41Å; R337-E339 HydrophobicContact CG-CG 3.81Å; R337-E339 IonicContact CZ-OE1 3.11Å; R337-E339 VanDerWaalsContact CZ-OE1 3.23Å; R337-E339 IonicContact NE-OE1 3.59Å; R337-E339 PolarHBondContact NE-OE1 2.89Å; R337-E339 IonicContact NH1-OE1 2.8Å; R337-E339 PolarHBondContact NH1-OE1 2.79Å; R337-E339 IonicContact NH1-OE2 3.86Å; R337-E339 PolarHBondContact O-N 3.39Å; R337-E339 VanDerWaalsContact O-N 3.16Å
338T35Very low32.5Very low123 Ų123146.2 Ų146.276%0.75579%0.785SS**  trans-82.790.9177.7-48.30000109.5
339E32.3Very low32.5Very low125 Ų125148.8 Ų148.858%0.58479%0.787SS**  trans-86.8111.7179.1-61.9-175.1-155.200110.1R337R337-E339 HydrophobicContact CB-CG 4.47Å; R337-E339 WeakPolarHBondContact CD-OE1 3.41Å; R337-E339 HydrophobicContact CG-CG 3.81Å; R337-E339 IonicContact CZ-OE1 3.11Å; R337-E339 VanDerWaalsContact CZ-OE1 3.23Å; R337-E339 IonicContact NE-OE1 3.59Å; R337-E339 PolarHBondContact NE-OE1 2.89Å; R337-E339 IonicContact NH1-OE1 2.8Å; R337-E339 PolarHBondContact NH1-OE1 2.79Å; R337-E339 IonicContact NH1-OE2 3.86Å; R337-E339 PolarHBondContact O-N 3.39Å; R337-E339 VanDerWaalsContact O-N 3.16Å
340H42Very low32.4Very low175 Ų175147.5 Ų147.581%0.8179%0.785SS**  trans-76.9122.4170-79.1-100.9000109.3Y342H340-Y342 PolarHBondContact O-N 3Å
341L34.4Very low32.2Very low165 Ų165143.6 Ų143.686%0.86478%0.783SS**  trans-66.7126.2177.5-68167.7000110.8
342Y28.9Very low32.8Very low192 Ų192138.3 Ų138.375%0.75378%0.779SS**  trans-137.5103.7157.4-160.9-76.1000107.9H340 N344H340-Y342 PolarHBondContact O-N 3Å; Y342-N344 WeakPolarHBondContact CD1-ND2 3.49Å; Y342-N344 PolarHBondContact O-N 2.69Å
343E32.9Very low32.6Very low174 Ų174139.4 Ų139.481%0.81378%0.775SS**  trans-74.1113.9-179.5-65.6-177.7128.200110.2
344N34.8Very low32.9Very low128 Ų128138.7 Ų138.768%0.68477%0.768SS**  trans-114.1101.7164.8-79.8-51000108.7Y342 C346Y342-N344 WeakPolarHBondContact CD1-ND2 3.49Å; Y342-N344 PolarHBondContact O-N 2.69Å; N344-C346 PolarHBondContact O-N 2.93Å; N344-C346 VanDerWaalsContact O-N 3.13Å
345L38.1Very low32.9Very low161 Ų161143.7 Ų143.784%0.84377%0.773SS**  trans-71.8100.6178.4-78.6159000110.8
346C30.6Very low32.5Very low120 Ų120141.9 Ų141.981%0.81177%0.772SS**  trans-125.389.1164.7-78.30000108.9N344N344-C346 PolarHBondContact O-N 2.93Å; N344-C346 VanDerWaalsContact O-N 3.13Å
347V30.5Very low32Very low121 Ų121140.2 Ų140.273%0.73378%0.776SS**  trans-71.5126.3172.1176.70000108.6
348L30.7Very low31.8Very low167 Ų167140.9 Ų140.987%0.87479%0.787SS**  trans-130.588.3169.8-14390.3000109.1
349E28.6Very low32.3Very low190 Ų190140.1 Ų140.189%0.88878%0.784SS**  trans-90.2136.1161.1-70.3-154.3148.900109.3
350A28.7Very low32.2Very low88 Ų88141.6 Ų141.673%0.72779%0.791SS**  trans-129120.8176.500000109.7
351S26.8Very low31.6Very low121 Ų121142.7 Ų142.785%0.84679%0.788SS**  trans156155.9144.7-760000111.5
352P39.6Very low31.3Very low123 Ų123142.4 Ų142.480%0.79978%0.782SS**  cis-126.1174.5-22.535.3-18.5000112.7
353T28.2Very low31.2Very low128 Ų128142 Ų14279%0.78579%0.787SS**  trans-80.3162161.3590000109.8
354P36.6Very low31Very low96 Ų96137 Ų13762%0.62378%0.783SS**  -151.2174.385.132.3-9.6000116.4
355H29.4Very low31.3Very low175 Ų175137.2 Ų137.281%0.8179%0.791SS**  trans69.7158.8166.1-49.1-63000118.1
356S27.3Very low30.9Very low113 Ų113133.4 Ų133.479%0.7979%0.791SS**  cis-173.7136.8-44.154.20000109.7
357G26.9Very low30.8Very low81 Ų81130.7 Ų130.784%0.83578%0.783SS**  trans120116.1161.900000116.6
358E25.2Very low30.8Very low192 Ų192133.9 Ų133.990%0.89779%0.79SS**  trans-85.9177.4145.1-73.7-168130.500109.2
359P46.6Very low31Very low107 Ų107131.6 Ų131.670%0.69579%0.788SS**  cis-129.9-156.7-3.423.92.1000112.9
360E30.4Very low31.5Very low156 Ų156128.6 Ų128.673%0.72979%0.785SS**  trans86148.6156.3-58.1-142.2112.700119.3
361R28.1Very low31.7Very low199 Ų199130.9 Ų130.975%0.75179%0.79SS**  cis-171.5147.2-39.5-122.8-179.1-176.8-178.2-0.7109
362H28.1Very low32.1Very low159 Ų159129.5 Ų129.574%0.73679%0.786SS**  trans64157.8176.3-68.5-130.7000114.1
363E28.3Very low31.8Very low182 Ų182128.6 Ų128.685%0.8578%0.782SS**  cis-140.7171.73.1-138.3162.5130.400110.4
364G27.2Very low32.4Very low71 Ų71128.8 Ų128.873%0.73279%0.786SS**  trans-95.9-154.5-176.200000114.6
365P42.4Very low32.6Very low131 Ų131131 Ų13185%0.85179%0.791SS**  cis-139.3169.1-3.442-24.9000116.5
366G28.2Very low32.8Very low82 Ų82132.4 Ų132.485%0.84579%0.79SS**  trans91.1140156.300000117.4
367G28.9Very low33.2Very low63 Ų63136 Ų13665%0.64979%0.794SS**  cis-175143.6-7.900000114.6
368H31.8Very low33.6Very low187 Ų187139.2 Ų139.287%0.86679%0.792SS**  trans44.5105.3154.7-47.4-76.1000121.6
369S33.8Very low34.1Very low120 Ų120133.4 Ų133.484%0.83978%0.784SS**  -163.3154.8113-83.50000111.2
370P39.1Very low33.8Very low126 Ų126137.6 Ų137.682%0.81879%0.794SS**PPolyproline II helixtrans-92.1162.5-151.234.5-36.8000116.6
371T32.3Very low34Very low137 Ų137137.6 Ų137.684%0.8480%0.799SS**PPolyproline II helixtrans-63.2149-178.8-20.40000114.1
372A34.9Very low34.6Very low92 Ų92136.5 Ų136.576%0.7681%0.808SS**PPolyproline II helixtrans-77.1137.1163.700000110.9
373S34.1Very low34.9Very low104 Ų104133.6 Ų133.673%0.72781%0.805SS**PPolyproline II helixtrans-96.4126.4170.7-61.20000110.1
374P41.8Very low35.2Very low131 Ų131136.7 Ų136.785%0.85181%0.809SS**PPolyproline II helixtrans-71.7142.7172.930.7-33.8000110.5
375I38.9Very low35.6Very low143 Ų143138.8 Ų138.873%0.73381%0.81SS**  trans-115.1127-177.2-73.4175.2000109.4
376Y34.6Very low35.1Very low205 Ų205137.8 Ų137.880%0.80481%0.806SS**  trans62.990.6-176.7-64.5-64.9000117.9
377H35.4Very low35.6Very low188 Ų188139.7 Ų139.787%0.8780%0.803SS**  trans-80.6123.1140.6-148.9-48.2000107
378N34.8Very low35.9Very low149 Ų149141.4 Ų141.480%0.79781%0.811SS**  trans-84.8130.4167.2-88.2-22.6000108.8
379G35.6Very low36.4Very low70 Ų70141.5 Ų141.572%0.72281%0.812SS**  trans-152145.3177.300000108.6
380E40.8Very low36.7Very low195 Ų195142.2 Ų142.291%0.91181%0.806SS**  trans-62.5128.8-167.6-62.8152112.700113.4
381D34.6Very low37.3Very low155 Ų155140.9 Ų140.983%0.82980%0.8SS**  trans-158129.8143.3-125.1-26.7000111.6
382L41.4Very low38.7Very low177 Ų177137.6 Ų137.693%0.92778%0.782SS**  trans-11078.1-174.7-82.8172.7000111.6
383S34.1Very low39.6Very low98 Ų98139.2 Ų139.269%0.68578%0.778SS**  trans-147.311316864.30000113.1
384W34Very low41Very low246 Ų246140.1 Ų140.193%0.93277%0.771SS**PPolyproline II helixtrans-89.5124.8166.6-71.398.3000109.7S386W384-S386 PolarHBondContact O-N 3.41Å
385P35.9Very low41.8Very low115 Ų115136.8 Ų136.875%0.74775%0.754SS**PPolyproline II helixtrans-73.3122174.628.8-32.6000110.7
386S31.9Very low42.8Very low111 Ų111135.8 Ų135.878%0.77675%0.746SS**PPolyproline II helixtrans-60.8135.6171.7-63.50000111.1W384W384-S386 PolarHBondContact O-N 3.41Å
387P38.8Very low44Very low121 Ų121133.3 Ų133.379%0.78674%0.736SS**PPolyproline II helixtrans-58.8147.7166.2-21.833.5000111.1
388A35.8Very low45.5Very low99 Ų99131.4 Ų131.482%0.81872%0.722SS**PPolyproline II helixtrans-62.9140.2-178.900000112.2D390A388-D390 PolarHBondContact O-N 2.97Å
389H41.8Very low46.7Very low189 Ų189133.2 Ų133.288%0.87572%0.717SS**  trans-65.8113.8176.5-84-90.7000111.5S391H389-S391 VanDerWaalsContact C-N 3.29Å; H389-S391 PolarHBondContact O-N 3.32Å
390D40.6Very low47.6Very low136 Ų136135.5 Ų135.573%0.72771%0.712SS**  trans-78.878.7174.4-146.2-22000110.3A388 S392 L393A388-D390 PolarHBondContact O-N 2.97Å; D390-S392 PolarHBondContact O-N 3.17Å; D390-L393 PolarHBondContact O-N 3.45Å
391S51.2Low48.4Very low98 Ų98130.8 Ų130.869%0.68569%0.693SS**Hα-helixtrans-62.9-5.3-167.8630000115.3H389H389-S391 VanDerWaalsContact C-N 3.29Å; H389-S391 PolarHBondContact O-N 3.32Å
392S62.2Low49.5Very low67 Ų67129.1 Ų129.147%0.46968%0.68SS.*Hα-helixtrans-74.9-36.6176.6-179.20000113.1D390 Q396D390-S392 PolarHBondContact O-N 3.17Å; S392-Q396 WeakPolarHBondContact O-CG 3.32Å; S392-Q396 PolarHBondContact O-N 2.87Å; S392-Q396 PolarHBondContact O-NE2 3.31Å; S392-Q396 PolarHBondContact OG-NE2 2.72Å
393L53.2Low50.1Low126 Ų126126.7 Ų126.766%0.6667%0.667SS**Hα-helixtrans-77.7-45.8-172.6-158.579.5000111.9D390 A395 Q396 Y397D390-L393 PolarHBondContact O-N 3.45Å; L393-A395 VanDerWaalsContact C-N 3.28Å; L393-A395 PolarHBondContact O-N 3.29Å; L393-Q396 WeakPolarHBondContact O-CB 3.36Å; L393-Q396 PolarHBondContact O-N 2.9Å; L393-Y397 PolarHBondContact O-N 3.01Å
394E63.6Low50.8Low124 Ų124128.7 Ų128.758%0.57967%0.67SS**Hα-helixtrans-57.6-41.1177.5-169.863-154.300111.9Q396 Y397 R398E394-Q396 VanDerWaalsContact C-N 3.34Å; E394-Q396 PolarHBondContact O-N 2.9Å; E394-Y397 PolarHBondContact O-N 2.78Å; E394-R398 PolarHBondContact O-N 2.62Å
395A58.8Low51.5Low61 Ų61125.8 Ų125.850%0.50467%0.667SS.*Hα-helixtrans-67.8-31177.200000113.1L393 R399L393-A395 VanDerWaalsContact C-N 3.28Å; L393-A395 PolarHBondContact O-N 3.29Å; A395-R399 WeakPolarHBondContact O-CB 3.46Å; A395-R399 PolarHBondContact O-N 2.94Å
396Q59.4Low52.2Low121 Ų121124 Ų12457%0.56566%0.662SS**Hα-helixtrans-73.5-38.7172.8-69.9172.639.800111.2S392 L393 E394 R399 L400S392-Q396 WeakPolarHBondContact O-CG 3.32Å; S392-Q396 PolarHBondContact O-N 2.87Å; S392-Q396 PolarHBondContact O-NE2 3.31Å; S392-Q396 PolarHBondContact OG-NE2 2.72Å; L393-Q396 WeakPolarHBondContact O-CB 3.36Å; L393-Q396 PolarHBondContact O-N 2.9Å; E394-Q396 VanDerWaalsContact C-N 3.34Å; E394-Q396 PolarHBondContact O-N 2.9Å; Q396-R399 PolarHBondContact O-N 2.72Å; Q396-L400 PolarHBondContact O-N 3.11Å; Q396-L400 VanDerWaalsContact O-N 3.11Å
397Y59.3Low52.9Low153 Ų153127.5 Ų127.560%0.667%0.666SS**Hα-helixtrans-67.6-44.9-179.6-145.6-86.8000112.2L393 E394 R399 L400 L401L393-Y397 PolarHBondContact O-N 3.01Å; E394-Y397 PolarHBondContact O-N 2.78Å; Y397-R399 VanDerWaalsContact C-N 3.32Å; Y397-R399 PolarHBondContact O-N 3.16Å; Y397-L400 WeakPolarHBondContact O-CB 3.42Å; Y397-L400 PolarHBondContact O-N 3.08Å; Y397-L400 VanDerWaalsContact O-N 3.09Å; Y397-L401 HydrophobicContact CD1-CD1 4.07Å; Y397-L401 HydrophobicContact CD1-CG 4.48Å; Y397-L401 HydrophobicContact CE1-CD1 4.39Å; Y397-L401 PolarHBondContact O-N 3.34Å; Y397-L401 VanDerWaalsContact O-N 3.15Å
398R67.2Low52.9Low148 Ų148125 Ų12556%0.55866%0.662SS**Hα-helixtrans-62.5-37.3173.4-75.8-149.7-83.9130-14.2112.9E394 L400 L401 E402E394-R398 PolarHBondContact O-N 2.62Å; R398-L400 PolarHBondContact O-N 3.13Å; R398-L401 PolarHBondContact O-N 3.16Å; R398-E402 WeakPolarHBondContact O-CB 3.5Å; R398-E402 VanDerWaalsContact O-CG 3.31Å; R398-E402 WeakPolarHBondContact O-CG 3.46Å; R398-E402 PolarHBondContact O-N 3.17Å
399R60.7Low53.1Low188 Ų188127.1 Ų127.171%0.70967%0.665SS**Hα-helixtrans-70.1-15.8175.4-156.7172.1-163.2158.28.4114A395 Q396 Y397 L403A395-R399 WeakPolarHBondContact O-CB 3.46Å; A395-R399 PolarHBondContact O-N 2.94Å; Q396-R399 PolarHBondContact O-N 2.72Å; Y397-R399 VanDerWaalsContact C-N 3.32Å; Y397-R399 PolarHBondContact O-N 3.16Å; R399-L403 WeakPolarHBondContact O-CD1 3.24Å; R399-L403 WeakPolarHBondContact O-CG 3.23Å
400L54.1Low52.7Low118 Ų118121.9 Ų121.962%0.61866%0.662SS**Hα-helixtrans-79.7-43.8169.7-147.981.3000110.8Q396 Y397 R398 L403 D404Q396-L400 PolarHBondContact O-N 3.11Å; Q396-L400 VanDerWaalsContact O-N 3.11Å; Y397-L400 WeakPolarHBondContact O-CB 3.42Å; Y397-L400 PolarHBondContact O-N 3.08Å; Y397-L400 VanDerWaalsContact O-N 3.09Å; R398-L400 PolarHBondContact O-N 3.13Å; L400-L403 PolarHBondContact O-N 3.43Å; L400-D404 PolarHBondContact O-N 3.36Å
401L58.5Low52.6Low96 Ų96125.2 Ų125.250%0.50367%0.665SS.*Hα-helixtrans-64.9-40.3176.9-67.8165.8000112.1Y397 R398 L403 D404 E405Y397-L401 HydrophobicContact CD1-CD1 4.07Å; Y397-L401 HydrophobicContact CD1-CG 4.48Å; Y397-L401 HydrophobicContact CE1-CD1 4.39Å; Y397-L401 PolarHBondContact O-N 3.34Å; Y397-L401 VanDerWaalsContact O-N 3.15Å; R398-L401 PolarHBondContact O-N 3.16Å; L401-L403 PolarHBondContact O-N 3.41Å; L401-L403 VanDerWaalsContact O-N 3.1Å; L401-D404 PolarHBondContact O-N 3.42Å; L401-E405 PolarHBondContact O-N 3.44Å
402E57.4Low52.2Low120 Ų120126.8 Ų126.856%0.56167%0.672SS**Hα-helixtrans-63.3-10.4174.3-72.8166.9-16700113.9R398R398-E402 WeakPolarHBondContact O-CB 3.5Å; R398-E402 VanDerWaalsContact O-CG 3.31Å; R398-E402 WeakPolarHBondContact O-CG 3.46Å; R398-E402 PolarHBondContact O-N 3.17Å
403L53.8Low51.1Low125 Ų125128.6 Ų128.665%0.65468%0.677SS**Hα-helixtrans-97-24.6172.2-72.7168.8000113.3R399 L400 L401R399-L403 WeakPolarHBondContact O-CD1 3.24Å; R399-L403 WeakPolarHBondContact O-CG 3.23Å; L400-L403 PolarHBondContact O-N 3.43Å; L401-L403 PolarHBondContact O-N 3.41Å; L401-L403 VanDerWaalsContact O-N 3.1Å
404D48.8Very low51Low140 Ų140127.5 Ų127.575%0.74968%0.677SS**Hα-helixtrans-81.1-33.9-178.6-130.933.4000111.3L400 L401 A406L400-D404 PolarHBondContact O-N 3.36Å; L401-D404 PolarHBondContact O-N 3.42Å; D404-A406 PolarHBondContact O-N 3.26Å
405E48.8Very low50.3Low185 Ų185130.5 Ų130.586%0.86469%0.691SS**THydrogen-bonded Turntrans-73.1-0.7176.2-63.9-127.2111.700114.1L401L401-E405 PolarHBondContact O-N 3.44Å
406A50.8Low49.5Very low77 Ų77132.2 Ų132.264%0.63671%0.706SS**THydrogen-bonded Turntrans-96.9-17.7-17400000115.4D404 G408D404-A406 PolarHBondContact O-N 3.26Å; A406-G408 VanDerWaalsContact C-N 3.32Å; A406-G408 PolarHBondContact O-N 2.99Å
407E46.7Very low48.8Very low186 Ų186129.3 Ų129.387%0.86971%0.708SS**  trans-94.832.8178.6-71.8-158.5135.400113.8T409E407-T409 VanDerWaalsContact C-N 3.31Å; E407-T409 PolarHBondContact O-N 2.97Å
408G38.7Very low48.2Very low67 Ų67130.9 Ų130.969%0.69172%0.718SS**  trans-73.769.7171.900000114.3A406A406-G408 VanDerWaalsContact C-N 3.32Å; A406-G408 PolarHBondContact O-N 2.99Å
409T39.8Very low47.3Very low145 Ų145133.1 Ų133.189%0.8973%0.732SS**SBendtrans168114.3142.5-72.40000111.9E407E407-T409 VanDerWaalsContact C-N 3.31Å; E407-T409 PolarHBondContact O-N 2.97Å
410G32.5Very low46.6Very low79 Ų79127.4 Ų127.481%0.81473%0.725SS**  trans120.6121.1158.500000116.4
411R39Very low46.3Very low206 Ų206130 Ų13078%0.77773%0.731SS**  trans-115.4151.5164.1-125.4-174.8166.3177-1.9107.8D413R411-D413 IonicContact CZ-OD2 3.43Å; R411-D413 IonicContact NE-OD2 3.4Å; R411-D413 PolarHBondContact NE-OD2 3.48Å; R411-D413 IonicContact NH2-OD2 2.67Å; R411-D413 PolarHBondContact NH2-OD2 2.67Å
412P42.3Very low45.6Very low131 Ų131130.7 Ų130.785%0.85174%0.735SS**  -130.116761.434.7-18.9000116.5
413D39.5Very low45.2Very low104 Ų104129.4 Ų129.456%0.55674%0.735SS**  trans-89.9175.1174.8-122.8-36000110.1R411R411-D413 IonicContact CZ-OD2 3.43Å; R411-D413 IonicContact NE-OD2 3.4Å; R411-D413 PolarHBondContact NE-OD2 3.48Å; R411-D413 IonicContact NH2-OD2 2.67Å; R411-D413 PolarHBondContact NH2-OD2 2.67Å
414P52.2Low44.8Very low103 Ų103129.2 Ų129.267%0.66974%0.735SS**  cis-142.4-175.60.541.5-21.7000118.6
415Q48.3Very low44.7Very low187 Ų187128.9 Ų128.987%0.87473%0.732SS**SBendtrans76.654.3142.5-154.7179.12.100119.3
416A42.1Very low44.6Very low98 Ų98126.6 Ų126.681%0.8173%0.725SS**SBendtrans-145-41.7160.800000116.3F418A416-F418 PolarHBondContact O-N 3.4Å
417G44.2Very low44.3Very low60 Ų60127 Ų12762%0.61972%0.724SS**SBendtrans-72.5-34.5-157.300000118.4K419G417-K419 PolarHBondContact O-N 3.03Å
418F46.9Very low44.5Very low186 Ų186128.9 Ų128.982%0.81672%0.723SS**Hα-helixtrans-75.7-30.8-157.1-142.2-91.8000115.4A416 A420A416-F418 PolarHBondContact O-N 3.4Å; F418-A420 VanDerWaalsContact C-N 3.3Å; F418-A420 PolarHBondContact O-N 3.33Å
419K48.1Very low44.9Very low194 Ų194134.4 Ų134.484%0.84373%0.731SS**Hα-helixtrans-72.6-18.3-175.3-75.1-175174.4178.30114.4G417G417-K419 PolarHBondContact O-N 3.03Å
420A46.4Very low45.3Very low68 Ų68138.6 Ų138.656%0.56273%0.73SS**Hα-helixtrans-83.3-28.9-176.400000114.1F418F418-A420 VanDerWaalsContact C-N 3.3Å; F418-A420 PolarHBondContact O-N 3.33Å
421K47.7Very low46.3Very low173 Ų173146.3 Ų146.375%0.75274%0.735SS**Hα-helixtrans-80.4-36.1-175.1-82-178.8174.6177.60113.8V423 N424K421-V423 VanDerWaalsContact C-N 3.34Å; K421-V423 PolarHBondContact O-N 2.67Å; K421-N424 PolarHBondContact O-N 3.49Å
422L44.2Very low46.4Very low110 Ų110146.9 Ų146.958%0.57674%0.743SS**Hα-helixtrans-64.8-34.4-175-151.980.8000113.4N424 L425L422-N424 VanDerWaalsContact C-N 3.34Å; L422-N424 PolarHBondContact O-N 3.38Å; L422-L425 PolarHBondContact O-N 3.29Å
423V47.7Very low46.4Very low93 Ų93143.8 Ų143.856%0.56474%0.735SS**Hα-helixtrans-66.3-34.4-177179.60000112.5K421 S427K421-V423 VanDerWaalsContact C-N 3.34Å; K421-V423 PolarHBondContact O-N 2.67Å; V423-S427 PolarHBondContact O-N 2.89Å; V423-S427 PolarHBondContact O-OG 3.2Å
424N47Very low46.6Very low122 Ų122145.2 Ų145.265%0.65275%0.75SS**Hα-helixtrans-77.1-20.1-177.4-85.7-37.3000114K421 L422K421-N424 PolarHBondContact O-N 3.49Å; L422-N424 VanDerWaalsContact C-N 3.34Å; L422-N424 PolarHBondContact O-N 3.38Å
425L45.5Very low46.3Very low132 Ų132144.4 Ų144.469%0.69175%0.752SS**Hα-helixtrans-75.6-53.5173.6-87.8159.9000111.2L422 S427 R428L422-L425 PolarHBondContact O-N 3.29Å; L425-S427 PolarHBondContact O-N 3.33Å; L425-S427 VanDerWaalsContact O-N 3.13Å; L425-R428 PolarHBondContact O-N 3.45Å; L425-R428 VanDerWaalsContact O-N 3.08Å
426L46.3Very low46.1Very low137 Ų137141.6 Ų141.672%0.71775%0.75SS**Hα-helixtrans-64.7-19.2-178-64.6175.3000113.9
427S45.8Very low45.9Very low87 Ų87143.1 Ų143.161%0.60875%0.753SS**THydrogen-bonded Turntrans-80.2-11.6176.5-59.70000114.2V423 L425V423-S427 PolarHBondContact O-N 2.89Å; V423-S427 PolarHBondContact O-OG 3.2Å; L425-S427 PolarHBondContact O-N 3.33Å; L425-S427 VanDerWaalsContact O-N 3.13Å
428R51.1Low46.2Very low224 Ų224146.6 Ų146.685%0.84576%0.758SS**THydrogen-bonded Turntrans-101.2-19-173.7-133.6172.9-174.2178.50.9114.4L425 R430L425-R428 PolarHBondContact O-N 3.45Å; L425-R428 VanDerWaalsContact O-N 3.08Å; R428-R430 VanDerWaalsContact C-N 3.26Å; R428-R430 PolarHBondContact O-N 3.5Å; R428-R430 VanDerWaalsContact O-N 3.16Å
429E45.4Very low45.7Very low183 Ų183147.5 Ų147.586%0.85576%0.756SS**SBendtrans-88.238.4-178.4-150.9-179.7140.600113.7
430R49.3Very low46.1Very low234 Ų234147.1 Ų147.188%0.88377%0.773SS**SBendtrans-132.831.3177.4-145.6177.9-169-109.70.3114.8R428R428-R430 VanDerWaalsContact C-N 3.26Å; R428-R430 PolarHBondContact O-N 3.5Å; R428-R430 VanDerWaalsContact O-N 3.16Å
431R52.9Low46.1Very low240 Ų240151.1 Ų151.191%0.90678%0.784SS**  trans-145.877.1169.7-68.8-164.2-172.9-141.84.4113.8
432K42.4Very low46Very low218 Ų218149.9 Ų149.995%0.94879%0.785SS**  trans-161.191.7148.8-121.4178.4-179.2-175.10111.7
433G40.8Very low46.1Very low67 Ų67152.2 Ų152.269%0.69180%0.797SS**  trans-107.1153.7155.700000108.8
434P43.8Very low46Very low134 Ų134155.6 Ų155.687%0.8781%0.811SS**PPolyproline II helixtrans-68155.7175.729.9-34.6000111.5
435A47.5Very low45.9Very low86 Ų86157.8 Ų157.871%0.71182%0.821SS**PPolyproline II helixtrans-78.6148.7175.900000111.5
436P43.4Very low46Very low127 Ų127159.5 Ų159.583%0.82583%0.829SS**PPolyproline II helixtrans-69.3145.5167.231.3-34000110.3
437C37.9Very low45.9Very low131 Ų131161.1 Ų161.189%0.88584%0.837SS**PPolyproline II helixtrans-93.9144.3168.3-65.50000110.1
438D49.3Very low45.9Very low133 Ų133166.8 Ų166.871%0.71186%0.855SS**PPolyproline II helixtrans-82.2131174.7-99.1-73000111.7
439R36.8Very low45.5Very low204 Ų204162 Ų16277%0.7786%0.856SS**  trans70.7173.1140.1-67.6-174.2-164.9-134.61.2117.7
440P56.8Low45.5Very low187 Ų187160.1 Ų160.1100%1.21486%0.856SS**  cis-50.3010.5-3038.2000117.5

Retrieved 440 of 440 residues in 148.8 ms (Link to these results)

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