A0A087YA41_POEFO Loading...

eEF1A lysine and N-terminal methyltransferase

AlphaFold DB , UniProt , Accession A0A087YA41, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 688 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
1M37.6Very low69.7Low218 Ų21889.4 Ų89.4100%1.07446%0.457SS*.  0136.80-67.6-167.2-149.600107.8L3M1-L3 PolarHBondContact O-N 3.25Å
2S50.8Low70.3Confident78 Ų7884.5 Ų84.555%0.54544%0.437SS..  trans-54.4120.5171.8170.50000109.1L4S2-L4 PolarHBondContact OG-N 2.92Å
3L67.4Low71.3Confident73 Ų7380.7 Ų80.738%0.38242%0.422SS..  trans-80.71.3176.1-76.5169000111.8M1 Y16 F20 K23M1-L3 PolarHBondContact O-N 3.25Å; L3-Y16 PolarHBondContact O-OH 3.24Å; L3-F20 HydrophobicContact CB-CD2 4.19Å; L3-F20 HydrophobicContact CB-CE2 3.96Å; L3-F20 WeakPolarHBondContact O-CD2 3.46Å; L3-F20 VanDerWaalsContact O-CE2 3.3Å; L3-F20 WeakPolarHBondContact O-CE2 3.39Å; L3-K23 HydrophobicContact CD2-CB 4.08Å; L3-K23 HydrophobicContact CD2-CD 4.22Å
4L78.6Confident71.9Confident69 Ų6978.4 Ų78.436%0.36142%0.42SS..SBendtrans-83.9153.1-176.9-61.8176.4000111.9S2 Y16 F29 W31S2-L4 PolarHBondContact OG-N 2.92Å; L4-Y16 PolarHBondContact O-OH 2.99Å; L4-F29 HydrophobicContact CD2-CE1 3.97Å; L4-F29 HydrophobicContact CD2-CE2 4.44Å; L4-F29 HydrophobicContact CD2-CZ 3.52Å; L4-W31 HydrophobicContact CD2-CH2 4.28Å; L4-W31 HydrophobicContact CD2-CZ2 4.31Å
5P71.2Confident72.6Confident29 Ų2982.9 Ų82.919%0.18844%0.438CS..  trans-64.1140.9-179.922.8-31.1000109.7E10 F11 Y16P5-E10 HydrophobicContact CB-CB 4.02Å; P5-F11 HydrophobicContact CB-CB 4.03Å; P5-F11 HydrophobicContact CB-CD2 4.47Å; P5-F11 HydrophobicContact CG-CB 4.09Å; P5-F11 HydrophobicContact CG-CD2 3.69Å; P5-F11 HydrophobicContact CG-CE2 4.37Å; P5-F11 HydrophobicContact CG-CG 4.04Å; P5-Y16 VanDerWaalsContact CA-OH 3.31Å; P5-Y16 WeakPolarHBondContact CA-OH 3.41Å; P5-Y16 HydrophobicContact CB-CE1 3.94Å; P5-Y16 HydrophobicContact CB-CE2 4.36Å; P5-Y16 VanDerWaalsContact CD-OH 3.26Å; P5-Y16 WeakPolarHBondContact CD-OH 3.34Å; P5-Y16 HydrophobicContact CG-CE1 4.27Å
6R76.9Confident73.4Confident186 Ų18679.2 Ų79.270%0.70242%0.417SS*.  trans-103.6-21.2-178.4-62.4-175.1-176.9-173.22.6112.8E10R6-E10 PolarHBondContact N-OE2 2.95Å
7T75.4Confident73.9Confident65 Ų6576.2 Ų76.240%0.39940%0.398SS..SBendtrans-129.3163.817982.50000111E9 E10 F11T7-E9 VanDerWaalsContact C-N 3.3Å; T7-E9 WeakPolarHBondContact CB-OE2 3.02Å; T7-E9 PolarHBondContact OG1-OE2 3.06Å; T7-E10 PolarHBondContact O-N 2.97Å; T7-E10 PolarHBondContact OG1-N 2.81Å; T7-F11 PolarHBondContact O-N 2.63Å
8A70.2Confident74.4Confident41 Ų4174.1 Ų74.134%0.33939%0.386SS..Hα-helixtrans-68.5-33.1-178.800000111.5F11 S12 S129A8-F11 PolarHBondContact O-N 2.94Å; A8-S12 PolarHBondContact O-N 2.94Å; A8-S12 PolarHBondContact O-OG 2.92Å; A8-S129 WeakPolarHBondContact CB-O 3.36Å; A8-S129 PolarHBondContact O-OG 2.89Å
9E76.8Confident74.8Confident130 Ų13077.2 Ų77.261%0.60739%0.392SS*.Hα-helixtrans-70.7-34.3175.3-51.477.6-16900112.1T7 F11 S12 S13T7-E9 VanDerWaalsContact C-N 3.3Å; T7-E9 WeakPolarHBondContact CB-OE2 3.02Å; T7-E9 PolarHBondContact OG1-OE2 3.06Å; E9-F11 VanDerWaalsContact C-N 3.34Å; E9-S12 PolarHBondContact O-OG 3.11Å; E9-S13 VanDerWaalsContact O-CB 3.27Å; E9-S13 WeakPolarHBondContact O-CB 3.29Å; E9-S13 PolarHBondContact O-N 3.11Å
10E80.8Confident75.1Confident64 Ų6473.6 Ų73.630%0.29937%0.374SS..Hα-helixtrans-65.9-39.9172.6-75.3-175.2161.600111.1P5 R6 T7 S12 S13 Y16P5-E10 HydrophobicContact CB-CB 4.02Å; R6-E10 PolarHBondContact N-OE2 2.95Å; T7-E10 PolarHBondContact O-N 2.97Å; T7-E10 PolarHBondContact OG1-N 2.81Å; E10-S12 PolarHBondContact O-N 3.01Å; E10-S13 PolarHBondContact O-N 2.8Å; E10-Y16 HydrophobicContact CB-CD2 3.86Å; E10-Y16 HydrophobicContact CB-CE2 4.2Å; E10-Y16 HydrophobicContact CB-CG 4.22Å; E10-Y16 HydrophobicContact CG-CD2 4.13Å; E10-Y16 WeakPolarHBondContact O-CB 3.41Å; E10-Y16 VanDerWaalsContact O-CD1 3.27Å; E10-Y16 WeakPolarHBondContact O-CD1 3.12Å
11F80.9Confident75.4Confident30 Ų3070.5 Ų70.513%0.13236%0.358CS..Hα-helixtrans-69.1-33.1-175.9-165.2-156000112.8P5 T7 A8 E9 W17 W31 D125 A126P5-F11 HydrophobicContact CB-CB 4.03Å; P5-F11 HydrophobicContact CB-CD2 4.47Å; P5-F11 HydrophobicContact CG-CB 4.09Å; P5-F11 HydrophobicContact CG-CD2 3.69Å; P5-F11 HydrophobicContact CG-CE2 4.37Å; P5-F11 HydrophobicContact CG-CG 4.04Å; T7-F11 PolarHBondContact O-N 2.63Å; A8-F11 PolarHBondContact O-N 2.94Å; E9-F11 VanDerWaalsContact C-N 3.34Å; F11-W17 HydrophobicContact CD2-CH2 4.28Å; F11-W17 AromaticContact CD2-CZ2 3.48Å; F11-W17 HydrophobicContact CD2-CZ2 3.48Å; F11-W17 VanDerWaalsContact CD2-CZ2 3.48Å; F11-W17 HydrophobicContact CE2-CH2 4.07Å; F11-W17 AromaticContact CE2-CZ2 3.51Å; F11-W17 HydrophobicContact CE2-CZ2 3.51Å; F11-W17 PolarHBondContact O-NE1 2.86Å; F11-W31 HydrophobicContact CE2-CH2 4.31Å; F11-W31 HydrophobicContact CE2-CZ2 4.11Å; F11-W31 HydrophobicContact CZ-CH2 4.48Å; F11-D125 HydrophobicContact CE1-CB 4.23Å; F11-D125 HydrophobicContact CZ-CB 4.48Å; F11-A126 HydrophobicContact CD1-CB 4.27Å; F11-A126 HydrophobicContact CD2-CB 3.81Å; F11-A126 HydrophobicContact CE1-CB 4.11Å; F11-A126 HydrophobicContact CE2-CB 3.66Å; F11-A126 HydrophobicContact CG-CB 4.12Å; F11-A126 HydrophobicContact CZ-CB 3.79Å
12S77.6Confident77.4Confident31 Ų3166.4 Ų66.422%0.21733%0.334CS..Hα-helixtrans-85.9-7.4177.162.10000114.4A8 E9 E10 A126A8-S12 PolarHBondContact O-N 2.94Å; A8-S12 PolarHBondContact O-OG 2.92Å; E9-S12 PolarHBondContact O-OG 3.11Å; E10-S12 PolarHBondContact O-N 3.01Å; S12-A126 VanDerWaalsContact CA-O 3.27Å; S12-A126 WeakPolarHBondContact CA-O 3.32Å; S12-A126 VanDerWaalsContact CB-O 3.26Å; S12-A126 WeakPolarHBondContact CB-O 3.33Å
13S82.8Confident78.7Confident35 Ų3570.2 Ų70.225%0.24534%0.341CS..  trans-85124.4-172.3174.20000113.8E9 E10 E15 Y16 W17E9-S13 VanDerWaalsContact O-CB 3.27Å; E9-S13 WeakPolarHBondContact O-CB 3.29Å; E9-S13 PolarHBondContact O-N 3.11Å; E10-S13 PolarHBondContact O-N 2.8Å; S13-E15 VanDerWaalsContact C-N 3.31Å; S13-E15 PolarHBondContact O-N 3.43Å; S13-E15 PolarHBondContact OG-N 2.8Å; S13-Y16 WeakPolarHBondContact O-CB 3.09Å; S13-Y16 PolarHBondContact O-N 2.85Å; S13-Y16 PolarHBondContact OG-N 2.89Å; S13-W17 PolarHBondContact O-N 2.75Å
14A79.1Confident79Confident48 Ų4869.8 Ų69.840%0.39733%0.334SS..Hα-helixtrans-59.1-40.7171.400000112.5Y16 W17 E18 I79A14-Y16 VanDerWaalsContact C-N 3.3Å; A14-Y16 PolarHBondContact O-N 3.46Å; A14-W17 PolarHBondContact O-N 3.33Å; A14-E18 WeakPolarHBondContact O-CB 3.36Å; A14-E18 PolarHBondContact O-N 3.01Å; A14-I79 HydrophobicContact CB-CG1 3.83Å; A14-I79 HydrophobicContact CB-CG2 4.06Å
15E83.7Confident78.6Confident147 Ų14767.9 Ų67.969%0.68733%0.331SS*.Hα-helixtrans-66-32.3178.7-63.7-178.3179.800112.7S13 R19S13-E15 VanDerWaalsContact C-N 3.31Å; S13-E15 PolarHBondContact O-N 3.43Å; S13-E15 PolarHBondContact OG-N 2.8Å; E15-R19 VanDerWaalsContact O-CG 3.28Å; E15-R19 WeakPolarHBondContact O-CG 3.27Å; E15-R19 PolarHBondContact O-N 3.27Å; E15-R19 PolarHBondContact O-NE 2.86Å
16Y84.6Confident78.5Confident23 Ų2374.5 Ų74.59%0.0936%0.359CS..Hα-helixtrans-64.1-50.8173.8174.1-90.9000110.8L3 L4 P5 E10 S13 A14 E18 R19 F20L3-Y16 PolarHBondContact O-OH 3.24Å; L4-Y16 PolarHBondContact O-OH 2.99Å; P5-Y16 VanDerWaalsContact CA-OH 3.31Å; P5-Y16 WeakPolarHBondContact CA-OH 3.41Å; P5-Y16 HydrophobicContact CB-CE1 3.94Å; P5-Y16 HydrophobicContact CB-CE2 4.36Å; P5-Y16 VanDerWaalsContact CD-OH 3.26Å; P5-Y16 WeakPolarHBondContact CD-OH 3.34Å; P5-Y16 HydrophobicContact CG-CE1 4.27Å; E10-Y16 HydrophobicContact CB-CD2 3.86Å; E10-Y16 HydrophobicContact CB-CE2 4.2Å; E10-Y16 HydrophobicContact CB-CG 4.22Å; E10-Y16 HydrophobicContact CG-CD2 4.13Å; E10-Y16 WeakPolarHBondContact O-CB 3.41Å; E10-Y16 VanDerWaalsContact O-CD1 3.27Å; E10-Y16 WeakPolarHBondContact O-CD1 3.12Å; S13-Y16 WeakPolarHBondContact O-CB 3.09Å; S13-Y16 PolarHBondContact O-N 2.85Å; S13-Y16 PolarHBondContact OG-N 2.89Å; A14-Y16 VanDerWaalsContact C-N 3.3Å; A14-Y16 PolarHBondContact O-N 3.46Å; Y16-E18 VanDerWaalsContact C-N 3.35Å; Y16-E18 PolarHBondContact O-N 3.07Å; Y16-R19 CarbonylContact O-C 3.6Å; Y16-R19 WeakPolarHBondContact O-CB 3.35Å; Y16-R19 PolarHBondContact O-N 2.86Å; Y16-R19 VanDerWaalsContact O-N 3.13Å; Y16-F20 HydrophobicContact CE1-CB 4.33Å; Y16-F20 WeakPolarHBondContact O-CB 3.48Å; Y16-F20 PolarHBondContact O-N 2.93Å
17W81.6Confident78.3Confident29 Ų2975.5 Ų75.511%0.1136%0.363CS..Hα-helixtrans-63.7-39.8-178.9-72.6114000113F11 S13 A14 R19 F20 F21 W31F11-W17 HydrophobicContact CD2-CH2 4.28Å; F11-W17 AromaticContact CD2-CZ2 3.48Å; F11-W17 HydrophobicContact CD2-CZ2 3.48Å; F11-W17 VanDerWaalsContact CD2-CZ2 3.48Å; F11-W17 HydrophobicContact CE2-CH2 4.07Å; F11-W17 AromaticContact CE2-CZ2 3.51Å; F11-W17 HydrophobicContact CE2-CZ2 3.51Å; F11-W17 PolarHBondContact O-NE1 2.86Å; S13-W17 PolarHBondContact O-N 2.75Å; A14-W17 PolarHBondContact O-N 3.33Å; W17-R19 VanDerWaalsContact C-N 3.3Å; W17-R19 PolarHBondContact O-N 3.07Å; W17-F20 HydrophobicContact CE3-CB 4.16Å; W17-F20 AromaticContact CE3-CD1 3.79Å; W17-F20 HydrophobicContact CE3-CD1 3.79Å; W17-F20 HydrophobicContact CE3-CE1 4.36Å; W17-F20 HydrophobicContact CE3-CG 4.03Å; W17-F20 AromaticContact CZ3-CD1 3.85Å; W17-F20 HydrophobicContact CZ3-CD1 3.85Å; W17-F20 AromaticContact CZ3-CE1 3.97Å; W17-F20 HydrophobicContact CZ3-CE1 3.97Å; W17-F20 HydrophobicContact CZ3-CG 4.14Å; W17-F20 HydrophobicContact CZ3-CZ 4.36Å; W17-F20 WeakPolarHBondContact O-CB 3.26Å; W17-F20 PolarHBondContact O-N 2.77Å; W17-F20 VanDerWaalsContact O-N 3.12Å; W17-F21 HydrophobicContact CB-CD2 4.46Å; W17-F21 HydrophobicContact CB-CE2 4.23Å; W17-F21 HydrophobicContact CE3-CE2 4.08Å; W17-F21 HydrophobicContact CE3-CZ 4.2Å; W17-F21 WeakPolarHBondContact O-CD2 3.31Å; W17-F21 PolarHBondContact O-N 3.42Å; W17-W31 AromaticContact CH2-CZ2 3.9Å; W17-W31 HydrophobicContact CH2-CZ2 3.9Å; W17-W31 AromaticContact CH2-NE1 3.77Å
18E82.8Confident78.1Confident38 Ų3873.5 Ų73.518%0.17835%0.353CS..Hα-helixtrans-58.7-42173.7-17461.1-157.500111.7A14 Y16 K22 S80 E81 T82A14-E18 WeakPolarHBondContact O-CB 3.36Å; A14-E18 PolarHBondContact O-N 3.01Å; Y16-E18 VanDerWaalsContact C-N 3.35Å; Y16-E18 PolarHBondContact O-N 3.07Å; E18-K22 VanDerWaalsContact O-CG 3.31Å; E18-K22 WeakPolarHBondContact O-CG 3.44Å; E18-K22 PolarHBondContact O-N 3.28Å; E18-K22 WeakPolarHBondContact OE1-CE 3.35Å; E18-K22 IonicContact OE1-NZ 2.7Å; E18-K22 PolarHBondContact OE1-NZ 3.5Å; E18-S80 WeakPolarHBondContact OE2-CA 3.35Å; E18-S80 WeakPolarHBondContact OE2-CB 3.44Å; E18-S80 PolarHBondContact OE2-OG 3.46Å; E18-E81 PolarHBondContact OE2-N 2.86Å; E18-T82 WeakPolarHBondContact OE1-CB 3.45Å; E18-T82 PolarHBondContact OE1-OG1 2.9Å; E18-T82 PolarHBondContact OE2-N 3.37Å
19R82.1Confident78.3Confident132 Ų13273.4 Ų73.450%0.49835%0.345SS..Hα-helixtrans-69.9-36.8174.2-71.6177.8-65.5164.21.4112.6E15 Y16 W17 K23E15-R19 VanDerWaalsContact O-CG 3.28Å; E15-R19 WeakPolarHBondContact O-CG 3.27Å; E15-R19 PolarHBondContact O-N 3.27Å; E15-R19 PolarHBondContact O-NE 2.86Å; Y16-R19 CarbonylContact O-C 3.6Å; Y16-R19 WeakPolarHBondContact O-CB 3.35Å; Y16-R19 PolarHBondContact O-N 2.86Å; Y16-R19 VanDerWaalsContact O-N 3.13Å; W17-R19 VanDerWaalsContact C-N 3.3Å; W17-R19 PolarHBondContact O-N 3.07Å; R19-K23 WeakPolarHBondContact O-CG 3.31Å; R19-K23 PolarHBondContact O-N 3.17Å; R19-K23 VanDerWaalsContact O-N 3.17Å
20F82.1Confident78.2Confident5 Ų569.6 Ų69.62%0.02233%0.327CS..Hα-helixtrans-60.9-51.5177.8173.2-94.1000110.9L3 Y16 W17 K22 K23 R24 F29L3-F20 HydrophobicContact CB-CD2 4.19Å; L3-F20 HydrophobicContact CB-CE2 3.96Å; L3-F20 WeakPolarHBondContact O-CD2 3.46Å; L3-F20 VanDerWaalsContact O-CE2 3.3Å; L3-F20 WeakPolarHBondContact O-CE2 3.39Å; Y16-F20 HydrophobicContact CE1-CB 4.33Å; Y16-F20 WeakPolarHBondContact O-CB 3.48Å; Y16-F20 PolarHBondContact O-N 2.93Å; W17-F20 HydrophobicContact CE3-CB 4.16Å; W17-F20 AromaticContact CE3-CD1 3.79Å; W17-F20 HydrophobicContact CE3-CD1 3.79Å; W17-F20 HydrophobicContact CE3-CE1 4.36Å; W17-F20 HydrophobicContact CE3-CG 4.03Å; W17-F20 AromaticContact CZ3-CD1 3.85Å; W17-F20 HydrophobicContact CZ3-CD1 3.85Å; W17-F20 AromaticContact CZ3-CE1 3.97Å; W17-F20 HydrophobicContact CZ3-CE1 3.97Å; W17-F20 HydrophobicContact CZ3-CG 4.14Å; W17-F20 HydrophobicContact CZ3-CZ 4.36Å; W17-F20 WeakPolarHBondContact O-CB 3.26Å; W17-F20 PolarHBondContact O-N 2.77Å; W17-F20 VanDerWaalsContact O-N 3.12Å; F20-K22 PolarHBondContact O-N 2.86Å; F20-K23 PolarHBondContact O-N 3.23Å; F20-K23 VanDerWaalsContact O-N 3.17Å; F20-R24 WeakPolarHBondContact O-CB 3.48Å; F20-R24 PolarHBondContact O-N 3.41Å; F20-F29 HydrophobicContact CE1-CD1 4.31Å; F20-F29 AromaticContact CZ-CD1 3.87Å; F20-F29 HydrophobicContact CZ-CD1 3.87Å; F20-F29 HydrophobicContact CZ-CE1 4.13Å; F20-F29 HydrophobicContact CZ-CG 4.46Å
21F80.3Confident78Confident9 Ų968.9 Ų68.94%0.03932%0.322CS..Hα-helixtrans-68.5-35.4-178.3-67.5-59.7000112.7W17 K23 R24 G25 N59 T82 V83W17-F21 HydrophobicContact CB-CD2 4.46Å; W17-F21 HydrophobicContact CB-CE2 4.23Å; W17-F21 HydrophobicContact CE3-CE2 4.08Å; W17-F21 HydrophobicContact CE3-CZ 4.2Å; W17-F21 WeakPolarHBondContact O-CD2 3.31Å; W17-F21 PolarHBondContact O-N 3.42Å; F21-K23 VanDerWaalsContact C-N 3.29Å; F21-K23 PolarHBondContact O-N 3.4Å; F21-R24 PolarHBondContact O-N 3.05Å; F21-G25 PolarHBondContact O-N 2.7Å; F21-N59 HydrophobicContact CD1-CB 4.46Å; F21-N59 HydrophobicContact CE1-CB 4.11Å; F21-T82 HydrophobicContact CB-CG2 3.97Å; F21-V83 HydrophobicContact CB-CB 4.38Å; F21-V83 HydrophobicContact CD1-CB 4.17Å; F21-V83 HydrophobicContact CD1-CG2 3.69Å; F21-V83 HydrophobicContact CD2-CB 3.67Å; F21-V83 HydrophobicContact CD2-CG1 4.25Å; F21-V83 HydrophobicContact CD2-CG2 4.04Å; F21-V83 HydrophobicContact CE1-CB 4.4Å; F21-V83 HydrophobicContact CE1-CG2 3.7Å; F21-V83 HydrophobicContact CE2-CB 3.91Å; F21-V83 HydrophobicContact CE2-CG1 4.12Å; F21-V83 HydrophobicContact CE2-CG2 4.03Å; F21-V83 HydrophobicContact CG-CB 3.82Å; F21-V83 HydrophobicContact CG-CG2 3.88Å; F21-V83 HydrophobicContact CZ-CB 4.28Å; F21-V83 HydrophobicContact CZ-CG2 3.88Å
22K80.8Confident78Confident133 Ų13368.7 Ų68.758%0.57832%0.321SS*.Hα-helixtrans-59.2-37.2170.7-77.7173.6178.6155.60113.1E18 F20 T82E18-K22 VanDerWaalsContact O-CG 3.31Å; E18-K22 WeakPolarHBondContact O-CG 3.44Å; E18-K22 PolarHBondContact O-N 3.28Å; E18-K22 WeakPolarHBondContact OE1-CE 3.35Å; E18-K22 IonicContact OE1-NZ 2.7Å; E18-K22 PolarHBondContact OE1-NZ 3.5Å; F20-K22 PolarHBondContact O-N 2.86Å; K22-T82 VanDerWaalsContact CE-OG1 3.29Å; K22-T82 WeakPolarHBondContact CE-OG1 3.38Å; K22-T82 HydrophobicContact CG-CG2 4.07Å
23K78.1Confident78.2Confident158 Ų15868.1 Ų68.169%0.68732%0.319SS*.Hα-helixtrans-84.3-32.5-178.4-75.2-178.8-179.9178.10113.8L3 R19 F20 F21L3-K23 HydrophobicContact CD2-CB 4.08Å; L3-K23 HydrophobicContact CD2-CD 4.22Å; R19-K23 WeakPolarHBondContact O-CG 3.31Å; R19-K23 PolarHBondContact O-N 3.17Å; R19-K23 VanDerWaalsContact O-N 3.17Å; F20-K23 PolarHBondContact O-N 3.23Å; F20-K23 VanDerWaalsContact O-N 3.17Å; F21-K23 VanDerWaalsContact C-N 3.29Å; F21-K23 PolarHBondContact O-N 3.4Å
24R73.4Confident78.3Confident64 Ų6469.2 Ų69.224%0.24232%0.322CS..Hα-helixtrans-77.9-32.4-174-173.1171.9-178.4123.61.6113.1F20 F21 R27 A28F20-R24 WeakPolarHBondContact O-CB 3.48Å; F20-R24 PolarHBondContact O-N 3.41Å; F21-R24 PolarHBondContact O-N 3.05Å; R24-R27 PolarHBondContact NE-O 3.09Å; R24-A28 PolarHBondContact NH2-O 2.87Å; R24-A28 VanDerWaalsContact NH2-O 3.14Å
25G70.5Confident78.8Confident28 Ų2868 Ų6829%0.28931%0.308SS..THydrogen-bonded Turntrans72.8-148.4-175.900000112.9F21F21-G25 PolarHBondContact O-N 2.7Å
26E68.6Low79Confident169 Ų16966.5 Ų66.579%0.7930%0.304SS*.THydrogen-bonded Turntrans-82.4-13.9-164.9-62.2178.3172.700115.3A28E26-A28 PolarHBondContact O-N 3.49Å
27R72.6Confident79Confident206 Ų20671.5 Ų71.578%0.77733%0.326SS*.SBendtrans-71.4121.9-176.2-172.1177.4177.3-176.3-0.8111.1R24 N59R24-R27 PolarHBondContact NE-O 3.09Å; R27-N59 PolarHBondContact O-ND2 3.4Å
28A71.4Confident79.5Confident23 Ų2370.1 Ų70.119%0.1932%0.321CS..  trans-51.1150.417800000113.1R24 E26 E61R24-A28 PolarHBondContact NH2-O 2.87Å; R24-A28 VanDerWaalsContact NH2-O 3.14Å; E26-A28 PolarHBondContact O-N 3.49Å; A28-E61 HydrophobicContact CB-CG 3.69Å
29F73.4Confident79.9Confident39 Ų3969.8 Ų69.817%0.17132%0.323CS..  trans-130.8126.7172.9-169.1-136.3000110.6L4 F20 W31 N59L4-F29 HydrophobicContact CD2-CE1 3.97Å; L4-F29 HydrophobicContact CD2-CE2 4.44Å; L4-F29 HydrophobicContact CD2-CZ 3.52Å; F20-F29 HydrophobicContact CE1-CD1 4.31Å; F20-F29 AromaticContact CZ-CD1 3.87Å; F20-F29 HydrophobicContact CZ-CD1 3.87Å; F20-F29 HydrophobicContact CZ-CE1 4.13Å; F20-F29 HydrophobicContact CZ-CG 4.46Å; F29-W31 AromaticContact CD1-CD1 3.97Å; F29-W31 AromaticContact CD1-NE1 3.6Å; F29-W31 AromaticContact CE1-CD1 3.88Å; F29-W31 AromaticContact CE1-CD2 3.98Å; F29-W31 HydrophobicContact CE1-CD2 3.98Å; F29-W31 AromaticContact CE1-CE2 3.31Å; F29-W31 HydrophobicContact CE1-CG 4.3Å; F29-W31 HydrophobicContact CE1-CH2 4.44Å; F29-W31 AromaticContact CE1-CZ2 3.58Å; F29-W31 HydrophobicContact CE1-CZ2 3.58Å; F29-W31 AromaticContact CE1-NE1 3.26Å; F29-W31 VanDerWaalsContact CE1-NE1 3.26Å; F29-W31 HydrophobicContact CZ-CD2 4.39Å; F29-W31 HydrophobicContact CZ-CZ2 4.11Å; F29-N59 WeakPolarHBondContact CB-OD1 3.29Å; F29-N59 PolarHBondContact N-OD1 3.49Å
30E75.9Confident80.3Confident50 Ų5065 Ų6523%0.23432%0.315CS..  trans-110.3111.3-179.2-70.2-58.5142.100110.3S60 E61 K121E30-S60 VanDerWaalsContact OE1-CA 3.25Å; E30-S60 WeakPolarHBondContact OE1-CA 3.21Å; E30-S60 WeakPolarHBondContact OE1-CB 3.48Å; E30-S60 PolarHBondContact OE1-OG 3.44Å; E30-S60 PolarHBondContact OE2-OG 3.5Å; E30-E61 PolarHBondContact OE1-N 2.92Å; E30-K121 IonicContact OE2-NZ 3.11Å; E30-K121 PolarHBondContact OE2-NZ 3.17Å
31W75.3Confident80.8Confident49 Ų4964.8 Ų64.819%0.18631%0.314CS..SBendtrans-78.9135161.8-71.9103.3000110.1L4 F11 W17 F29 G33 K121L4-W31 HydrophobicContact CD2-CH2 4.28Å; L4-W31 HydrophobicContact CD2-CZ2 4.31Å; F11-W31 HydrophobicContact CE2-CH2 4.31Å; F11-W31 HydrophobicContact CE2-CZ2 4.11Å; F11-W31 HydrophobicContact CZ-CH2 4.48Å; W17-W31 AromaticContact CH2-CZ2 3.9Å; W17-W31 HydrophobicContact CH2-CZ2 3.9Å; W17-W31 AromaticContact CH2-NE1 3.77Å; F29-W31 AromaticContact CD1-CD1 3.97Å; F29-W31 AromaticContact CD1-NE1 3.6Å; F29-W31 AromaticContact CE1-CD1 3.88Å; F29-W31 AromaticContact CE1-CD2 3.98Å; F29-W31 HydrophobicContact CE1-CD2 3.98Å; F29-W31 AromaticContact CE1-CE2 3.31Å; F29-W31 HydrophobicContact CE1-CG 4.3Å; F29-W31 HydrophobicContact CE1-CH2 4.44Å; F29-W31 AromaticContact CE1-CZ2 3.58Å; F29-W31 HydrophobicContact CE1-CZ2 3.58Å; F29-W31 AromaticContact CE1-NE1 3.26Å; F29-W31 VanDerWaalsContact CE1-NE1 3.26Å; F29-W31 HydrophobicContact CZ-CD2 4.39Å; F29-W31 HydrophobicContact CZ-CZ2 4.11Å; W31-G33 VanDerWaalsContact C-N 3.29Å; W31-G33 PolarHBondContact O-N 3.44Å; W31-K121 WeakPolarHBondContact O-CD 3.35Å; W31-K121 PolarHBondContact O-NZ 2.93Å
32Y82.1Confident81.5Confident27 Ų2764.3 Ų64.311%0.10631%0.312CS..SBendtrans59.830167.2-44.9-35.8000116G122 D125 L158Y32-G122 VanDerWaalsContact CE2-CA 3.44Å; Y32-D125 HydrophobicContact CE2-CB 4.49Å; Y32-D125 VanDerWaalsContact CE2-OD2 3.25Å; Y32-D125 WeakPolarHBondContact CE2-OD2 3.49Å; Y32-L158 HydrophobicContact CD1-CD1 4.17Å; Y32-L158 HydrophobicContact CD1-CD2 3.78Å; Y32-L158 HydrophobicContact CD1-CG 3.7Å; Y32-L158 HydrophobicContact CE1-CD1 3.5Å; Y32-L158 VanDerWaalsContact CE1-CD1 3.5Å; Y32-L158 HydrophobicContact CE1-CD2 3.98Å; Y32-L158 HydrophobicContact CE1-CG 3.37Å; Y32-L158 HydrophobicContact CG-CG 4.47Å
33G80.9Confident82.2Confident18 Ų1861.9 Ų61.919%0.18630%0.302CS..  trans105.6159.9175.800000113.2W31W31-G33 VanDerWaalsContact C-N 3.29Å; W31-G33 PolarHBondContact O-N 3.44Å
34D85.3Confident83Confident59 Ų5959 Ų5932%0.31629%0.289SS..  trans-89.1177.8175.464.74.8000111N36 K37 L38D34-N36 VanDerWaalsContact C-N 3.26Å; D34-N36 PolarHBondContact O-N 3.32Å; D34-N36 PolarHBondContact OD1-N 3.08Å; D34-K37 PolarHBondContact O-N 3.15Å; D34-K37 PolarHBondContact OD1-N 2.86Å; D34-L38 WeakPolarHBondContact O-CG 3.4Å; D34-L38 PolarHBondContact O-N 2.89Å
35Y89.6Confident84.1Confident23 Ų2356.6 Ų56.69%0.0928%0.28CS..Hα-helixtrans-55.3-38178.8170.3-100.8000113.7K37 L38 C39 H43 L62 Q65 L66 V69Y35-K37 VanDerWaalsContact C-N 3.27Å; Y35-K37 PolarHBondContact O-N 3.35Å; Y35-L38 PolarHBondContact O-N 3.31Å; Y35-C39 HydrophobicContact CD1-CB 4.29Å; Y35-C39 HydrophobicContact CD2-CB 4.03Å; Y35-C39 HydrophobicContact CE1-CB 3.88Å; Y35-C39 HydrophobicContact CE2-CB 3.58Å; Y35-C39 HydrophobicContact CG-CB 4.35Å; Y35-C39 VanDerWaalsContact CZ-CB 3.5Å; Y35-C39 WeakPolarHBondContact O-CB 3.39Å; Y35-C39 PolarHBondContact O-N 3.47Å; Y35-H43 AromaticContact CE2-NE2 3.76Å; Y35-H43 AromaticContact CZ-NE2 3.7Å; Y35-H43 PolarHBondContact OH-CE1 3.04Å; Y35-H43 PolarHBondContact OH-NE2 2.9Å; Y35-L62 HydrophobicContact CD2-CD1 3.93Å; Y35-Q65 HydrophobicContact CD1-CB 4.17Å; Y35-Q65 HydrophobicContact CD2-CB 4.15Å; Y35-Q65 HydrophobicContact CG-CB 3.81Å; Y35-L66 HydrophobicContact CD2-CD2 4.36Å; Y35-L66 HydrophobicContact CD2-CG 4.42Å; Y35-L66 HydrophobicContact CE2-CD2 3.86Å; Y35-L66 HydrophobicContact CE2-CG 4.32Å; Y35-V69 HydrophobicContact CE1-CG1 4.34Å; Y35-V69 HydrophobicContact CE2-CG2 4.47Å; Y35-V69 WeakPolarHBondContact OH-CG2 3.11Å
36N87.6Confident85.4Confident115 Ų11555.4 Ų55.462%0.61527%0.267SS*.Hα-helixtrans-62.7-36.2-177.4-66.7-41.7000112D34 L38D34-N36 VanDerWaalsContact C-N 3.26Å; D34-N36 PolarHBondContact O-N 3.32Å; D34-N36 PolarHBondContact OD1-N 3.08Å; N36-L38 VanDerWaalsContact C-N 3.33Å
37K84.8Confident86.7Confident127 Ų12752.6 Ų52.655%0.55225%0.253SS*.Hα-helixtrans-74.3-22.8175.7-68.5-177.5179.1-1760113.6D34 Y35D34-K37 PolarHBondContact O-N 3.15Å; D34-K37 PolarHBondContact OD1-N 2.86Å; Y35-K37 VanDerWaalsContact C-N 3.27Å; Y35-K37 PolarHBondContact O-N 3.35Å
38L91.4Very high87.8Confident1 Ų146.1 Ų46.11%0.00524%0.236CC..Hα-helixtrans-105.8-23.3-170.8-60.4174.9000113.3D34 Y35 N36 G40 V41 L42 L62 K121 V156 L183D34-L38 WeakPolarHBondContact O-CG 3.4Å; D34-L38 PolarHBondContact O-N 2.89Å; Y35-L38 PolarHBondContact O-N 3.31Å; N36-L38 VanDerWaalsContact C-N 3.33Å; L38-G40 VanDerWaalsContact C-N 3.31Å; L38-G40 PolarHBondContact O-N 3.42Å; L38-V41 PolarHBondContact O-N 3.05Å; L38-L42 HydrophobicContact CB-CD1 3.75Å; L38-L42 HydrophobicContact CB-CG 4.12Å; L38-L42 VanDerWaalsContact O-CG 3.3Å; L38-L42 WeakPolarHBondContact O-CG 3.48Å; L38-L42 PolarHBondContact O-N 3.45Å; L38-L62 HydrophobicContact CD1-CD2 4.49Å; L38-K121 HydrophobicContact CD1-CD 3.72Å; L38-V156 HydrophobicContact CD1-CG1 4.34Å; L38-V156 HydrophobicContact CD1-CG2 4.28Å; L38-V156 HydrophobicContact CD2-CG1 3.8Å; L38-V156 HydrophobicContact CD2-CG2 4.21Å; L38-L183 HydrophobicContact CD2-CD1 3.51Å
39C91.9Very high89Confident30 Ų3051 Ų5120%0.20326%0.255CS..Hα-helixtrans-60.9-34.7-165.6650000113.8Y35 V41 L42 H43Y35-C39 HydrophobicContact CD1-CB 4.29Å; Y35-C39 HydrophobicContact CD2-CB 4.03Å; Y35-C39 HydrophobicContact CE1-CB 3.88Å; Y35-C39 HydrophobicContact CE2-CB 3.58Å; Y35-C39 HydrophobicContact CG-CB 4.35Å; Y35-C39 VanDerWaalsContact CZ-CB 3.5Å; Y35-C39 WeakPolarHBondContact O-CB 3.39Å; Y35-C39 PolarHBondContact O-N 3.47Å; C39-V41 PolarHBondContact O-N 2.91Å; C39-L42 PolarHBondContact O-N 3.04Å; C39-H43 VanDerWaalsContact O-CB 3.3Å; C39-H43 WeakPolarHBondContact O-CB 3.48Å; C39-H43 PolarHBondContact O-N 3.12Å
40G91.2Very high90.1Very high32 Ų3250 Ų5033%0.3325%0.251SS..Hα-helixtrans-56.5-50.6178.100000112.2L38L38-G40 VanDerWaalsContact C-N 3.31Å; L38-G40 PolarHBondContact O-N 3.42Å
41V92.6Very high91.2Very high0 Ų053.1 Ų53.10%026%0.264CS..Hα-helixtrans-73.7-41.8176.9-179.40000111.8L38 C39 H43 K44 Y45 H181 L183 V201 D222L38-V41 PolarHBondContact O-N 3.05Å; C39-V41 PolarHBondContact O-N 2.91Å; V41-H43 PolarHBondContact O-N 2.98Å; V41-K44 VanDerWaalsContact O-CB 3.3Å; V41-K44 WeakPolarHBondContact O-CB 3.39Å; V41-K44 PolarHBondContact O-N 2.82Å; V41-K44 VanDerWaalsContact O-N 3.17Å; V41-Y45 HydrophobicContact CG1-CD2 3.84Å; V41-Y45 HydrophobicContact CG1-CE2 3.85Å; V41-Y45 VanDerWaalsContact O-CD2 3.24Å; V41-Y45 WeakPolarHBondContact O-CD2 3.48Å; V41-Y45 PolarHBondContact O-N 2.82Å; V41-H181 HydrophobicContact CG1-CB 4.35Å; V41-H181 HydrophobicContact CG2-CB 4.17Å; V41-L183 HydrophobicContact CG2-CD2 3.64Å; V41-V201 HydrophobicContact CB-CG2 4.37Å; V41-V201 HydrophobicContact CG1-CB 3.86Å; V41-V201 HydrophobicContact CG1-CG1 3.77Å; V41-V201 HydrophobicContact CG1-CG2 4.07Å; V41-D222 HydrophobicContact CG2-CB 4.01Å
42L95.2Very high92.3Very high0 Ų050.8 Ų50.80%026%0.255CS..Hα-helixtrans-60.3-46.1-178.5-66.9179.8000112.1L38 C39 K44 Y45 I46 L62 L119 V154L38-L42 HydrophobicContact CB-CD1 3.75Å; L38-L42 HydrophobicContact CB-CG 4.12Å; L38-L42 VanDerWaalsContact O-CG 3.3Å; L38-L42 WeakPolarHBondContact O-CG 3.48Å; L38-L42 PolarHBondContact O-N 3.45Å; C39-L42 PolarHBondContact O-N 3.04Å; L42-K44 PolarHBondContact O-N 2.81Å; L42-Y45 PolarHBondContact O-N 3.42Å; L42-I46 HydrophobicContact CD2-CD1 4.35Å; L42-I46 WeakPolarHBondContact O-CB 3.34Å; L42-I46 PolarHBondContact O-N 3.03Å; L42-L62 HydrophobicContact CD1-CD1 3.84Å; L42-L62 HydrophobicContact CD1-CD2 4.41Å; L42-L119 HydrophobicContact CD2-CD1 3.62Å; L42-V154 HydrophobicContact CD2-CG1 3.79Å
43H94.9Very high93.1Very high82 Ų8249.6 Ų49.638%0.3825%0.251SS..Hα-helixtrans-66-24179.3-67.3179.8000113.3Y35 C39 V41 Y71Y35-H43 AromaticContact CE2-NE2 3.76Å; Y35-H43 AromaticContact CZ-NE2 3.7Å; Y35-H43 PolarHBondContact OH-CE1 3.04Å; Y35-H43 PolarHBondContact OH-NE2 2.9Å; C39-H43 VanDerWaalsContact O-CB 3.3Å; C39-H43 WeakPolarHBondContact O-CB 3.48Å; C39-H43 PolarHBondContact O-N 3.12Å; V41-H43 PolarHBondContact O-N 2.98Å; H43-Y71 AromaticContact CD2-CE2 3.89Å; H43-Y71 AromaticContact CD2-CZ 3.93Å; H43-Y71 PolarHBondContact CD2-OH 3.22Å; H43-Y71 VanDerWaalsContact CD2-OH 3.23Å; H43-Y71 AromaticContact NE2-CE2 3.91Å
44K94.4Very high93.9Very high96 Ų9649.1 Ų49.142%0.41724%0.244SC..Hα-helixtrans-70.4-31.8176.5-169.7169.4-173.5158.60112.5V41 L42 D222 D223V41-K44 VanDerWaalsContact O-CB 3.3Å; V41-K44 WeakPolarHBondContact O-CB 3.39Å; V41-K44 PolarHBondContact O-N 2.82Å; V41-K44 VanDerWaalsContact O-N 3.17Å; L42-K44 PolarHBondContact O-N 2.81Å; K44-D222 PolarHBondContact NZ-O 3.46Å; K44-D223 IonicContact NZ-OD1 2.62Å; K44-D223 PolarHBondContact NZ-OD1 3.24Å
45Y96.2Very high94.5Very high14 Ų1446.4 Ų46.46%0.05523%0.23CC..Hα-helixtrans-112.1-22.5-172.1-65.4-68.2000114.7V41 L42 R152 R179 H181 V203V41-Y45 HydrophobicContact CG1-CD2 3.84Å; V41-Y45 HydrophobicContact CG1-CE2 3.85Å; V41-Y45 VanDerWaalsContact O-CD2 3.24Å; V41-Y45 WeakPolarHBondContact O-CD2 3.48Å; V41-Y45 PolarHBondContact O-N 2.82Å; L42-Y45 PolarHBondContact O-N 3.42Å; Y45-R152 WeakPolarHBondContact O-CD 3.31Å; Y45-R152 PolarHBondContact O-NH1 3.23Å; Y45-R152 VanDerWaalsContact O-NH1 3.07Å; Y45-R179 WeakPolarHBondContact OH-CD 3.24Å; Y45-R179 PolarHBondContact OH-NH1 3.46Å; Y45-H181 AromaticContact CE2-CD2 3.93Å; Y45-H181 AromaticContact CE2-CE1 3.88Å; Y45-H181 AromaticContact CE2-NE2 3.3Å; Y45-H181 VanDerWaalsContact CE2-NE2 3.3Å; Y45-H181 WeakPolarHBondContact CE2-NE2 3.28Å; Y45-H181 AromaticContact CZ-CE1 3.97Å; Y45-H181 AromaticContact CZ-NE2 3.39Å; Y45-H181 PolarHBondContact OH-CE1 2.99Å; Y45-H181 PolarHBondContact OH-NE2 3.31Å; Y45-V203 HydrophobicContact CD1-CG1 3.65Å; Y45-V203 HydrophobicContact CD1-CG2 4.44Å; Y45-V203 HydrophobicContact CD2-CG1 4.37Å; Y45-V203 HydrophobicContact CD2-CG2 3.69Å; Y45-V203 HydrophobicContact CE1-CG1 3.94Å; Y45-V203 HydrophobicContact CE2-CG2 3.85Å; Y45-V203 HydrophobicContact CG-CG1 3.89Å; Y45-V203 HydrophobicContact CG-CG2 4.03Å
46I97.4Very high94.7Very high3 Ų346.2 Ų46.22%0.01524%0.235CC..SBendtrans-115.4120.4179.8-48.2-180000108.6L42 V52 Y71 A117 L119 V154L42-I46 HydrophobicContact CD2-CD1 4.35Å; L42-I46 WeakPolarHBondContact O-CB 3.34Å; L42-I46 PolarHBondContact O-N 3.03Å; I46-V52 HydrophobicContact CG2-CG1 4.44Å; I46-V52 HydrophobicContact CG2-CG2 3.48Å; I46-V52 VanDerWaalsContact CG2-CG2 3.48Å; I46-Y71 HydrophobicContact CB-CE1 4.1Å; I46-Y71 HydrophobicContact CG2-CD1 4.1Å; I46-Y71 HydrophobicContact CG2-CE1 3.67Å; I46-Y71 WeakPolarHBondContact O-CE1 3.31Å; I46-Y71 PolarHBondContact O-OH 2.86Å; I46-A117 HydrophobicContact CG1-CB 4.16Å; I46-A117 HydrophobicContact CG2-CB 4.07Å; I46-L119 HydrophobicContact CD1-CB 4.34Å; I46-L119 HydrophobicContact CD1-CD1 4.25Å; I46-L119 HydrophobicContact CD1-CD2 4.46Å; I46-V154 HydrophobicContact CD1-CB 4.44Å; I46-V154 HydrophobicContact CD1-CG2 4.36Å; I46-V154 HydrophobicContact CG1-CG2 4.12Å
47K96.7Very high95Very high111 Ų11141.3 Ų41.348%0.48321%0.21SC..  trans-88.9151.4178.3-53.8-178.6178.4-177.70110.7Q49 D50 Y71K47-Q49 PolarHBondContact O-N 2.97Å; K47-Q49 VanDerWaalsContact O-N 3.15Å; K47-D50 WeakPolarHBondContact CB-OD2 3.49Å; K47-D50 PolarHBondContact N-OD2 2.99Å; K47-D50 VanDerWaalsContact O-CB 3.28Å; K47-D50 WeakPolarHBondContact O-CB 3.49Å; K47-D50 PolarHBondContact O-N 2.79Å; K47-Y71 VanDerWaalsContact C-CE1 3.42Å; K47-Y71 WeakPolarHBondContact O-CE1 3.42Å
48V96.3Very high95.4Very high69 Ų6935.8 Ų35.842%0.41819%0.189SC..THydrogen-bonded Turntrans-56.9-33.9-178.1-179.70000112.7G70 Y71V48-G70 WeakPolarHBondContact CG1-O 3.24Å; V48-Y71 HydrophobicContact CG2-CD2 4.47Å; V48-Y71 HydrophobicContact CG2-CE1 4.44Å; V48-Y71 HydrophobicContact CG2-CE2 4.07Å
49Q96.3Very high95.4Very high126 Ų12636.3 Ų36.359%0.58919%0.192SC*.THydrogen-bonded Turntrans-85.5-6178.370.6-87.626.700114.9K47K47-Q49 PolarHBondContact O-N 2.97Å; K47-Q49 VanDerWaalsContact O-N 3.15Å
50D97.1Very high95.4Very high18 Ų1835.5 Ų35.510%0.09619%0.186CC..SBendtrans-69.5139.9-178.2-75.2-23000110.2K47 V52 Q116K47-D50 WeakPolarHBondContact CB-OD2 3.49Å; K47-D50 PolarHBondContact N-OD2 2.99Å; K47-D50 VanDerWaalsContact O-CB 3.28Å; K47-D50 WeakPolarHBondContact O-CB 3.49Å; K47-D50 PolarHBondContact O-N 2.79Å; D50-V52 HydrophobicContact CB-CG2 4.22Å; D50-V52 WeakPolarHBondContact O-CG2 3.3Å; D50-V52 PolarHBondContact O-N 2.87Å; D50-Q116 HydrophobicContact CB-CB 3.61Å; D50-Q116 HydrophobicContact CB-CG 4.34Å
51K97.9Very high95.5Very high115 Ų11537.2 Ų37.250%0.519%0.185SC..  trans-73.7117.6161.2-63.2-179.4179.6-175.40108.6H73 F115 Q116 A117K51-H73 HydrophobicContact CG-CB 4.28Å; K51-F115 HydrophobicContact CB-CD1 4.08Å; K51-Q116 VanDerWaalsContact CB-OE1 3.29Å; K51-Q116 PolarHBondContact O-N 2.81Å; K51-A117 PolarHBondContact O-N 3.31Å
52V98.2Very high95.6Very high1 Ų137.4 Ų37.41%0.00619%0.187CC..EExtended strand (participates in β ladder)trans-114125.2-174.8-168.40000110.2I46 D50 V54 H73 L74 T75 A117 L119I46-V52 HydrophobicContact CG2-CG1 4.44Å; I46-V52 HydrophobicContact CG2-CG2 3.48Å; I46-V52 VanDerWaalsContact CG2-CG2 3.48Å; D50-V52 HydrophobicContact CB-CG2 4.22Å; D50-V52 WeakPolarHBondContact O-CG2 3.3Å; D50-V52 PolarHBondContact O-N 2.87Å; V52-V54 HydrophobicContact CG1-CG2 4.35Å; V52-H73 PolarHBondContact N-O 3.16Å; V52-L74 HydrophobicContact CB-CD2 3.73Å; V52-L74 HydrophobicContact CG1-CD2 4.34Å; V52-L74 HydrophobicContact CG2-CD2 3.96Å; V52-T75 PolarHBondContact O-N 2.9Å; V52-A117 WeakPolarHBondContact CA-O 3.45Å; V52-A117 HydrophobicContact CG1-CB 4.23Å; V52-A117 HydrophobicContact CG2-CB 4.35Å; V52-L119 HydrophobicContact CG1-CB 4.11Å
53L98.4Very high95.7Very high1 Ų137.6 Ų37.61%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-89.9116.8167.317963.9000108.6V55 T75 I77 Y110 F115 A117 A118 L119 V146L53-V55 HydrophobicContact CD2-CG2 4.08Å; L53-V55 HydrophobicContact CG-CG2 3.98Å; L53-T75 HydrophobicContact CD1-CG2 4.28Å; L53-I77 HydrophobicContact CD1-CD1 4.09Å; L53-I77 HydrophobicContact CD1-CG1 4.11Å; L53-I77 HydrophobicContact CD1-CG2 4.02Å; L53-Y110 HydrophobicContact CD1-CD2 4.31Å; L53-Y110 HydrophobicContact CD1-CE2 3.75Å; L53-F115 HydrophobicContact CB-CD1 3.75Å; L53-F115 HydrophobicContact CB-CD2 4.19Å; L53-F115 HydrophobicContact CB-CE1 3.87Å; L53-F115 HydrophobicContact CB-CE2 4.29Å; L53-F115 HydrophobicContact CB-CG 3.91Å; L53-F115 HydrophobicContact CB-CZ 4.14Å; L53-F115 HydrophobicContact CD1-CE1 4.5Å; L53-F115 HydrophobicContact CD1-CE2 4.46Å; L53-F115 HydrophobicContact CD1-CZ 4.14Å; L53-F115 HydrophobicContact CD2-CE2 4.49Å; L53-A117 PolarHBondContact N-O 2.98Å; L53-A118 CarbonylContact O-C 3.47Å; L53-A118 VanDerWaalsContact O-CA 3.23Å; L53-A118 WeakPolarHBondContact O-CA 3.36Å; L53-L119 PolarHBondContact O-N 3.47Å; L53-V146 HydrophobicContact CD2-CG2 3.94Å
54V98.3Very high95.7Very high8 Ų834 Ų345%0.04817%0.171CC..EExtended strand (participates in β ladder)trans-96.7110.5173.6-173.40000108.2V52 C57 T75 N76 I77 L119V52-V54 HydrophobicContact CG1-CG2 4.35Å; V54-C57 HydrophobicContact CG1-CB 4.09Å; V54-T75 PolarHBondContact N-O 2.88Å; V54-N76 HydrophobicContact CB-CB 4.48Å; V54-N76 WeakPolarHBondContact CB-OD1 3.36Å; V54-N76 WeakPolarHBondContact CG2-OD1 3.42Å; V54-I77 WeakPolarHBondContact O-CG1 3.28Å; V54-I77 PolarHBondContact O-N 3.44Å; V54-L119 CarbonylContact C-O 3.56Å; V54-L119 WeakPolarHBondContact CA-O 3.43Å; V54-L119 HydrophobicContact CG2-CB 4.37Å; V54-L119 HydrophobicContact CG2-CD2 4.39Å
55V97.3Very high95.8Very high2 Ų231.8 Ų31.81%0.01216%0.162CC..EExtended strand (participates in β ladder)trans-90.5130.6-175.1-176.90000109.9L53 I77 A105 L119 T123 M139 V143L53-V55 HydrophobicContact CD2-CG2 4.08Å; L53-V55 HydrophobicContact CG-CG2 3.98Å; V55-I77 HydrophobicContact CG1-CD1 4.48Å; V55-I77 HydrophobicContact CG2-CD1 4.43Å; V55-A105 HydrophobicContact CG1-CB 3.5Å; V55-L119 PolarHBondContact N-O 3.12Å; V55-T123 HydrophobicContact CG1-CG2 4.18Å; V55-T123 PolarHBondContact O-OG1 2.87Å; V55-T123 VanDerWaalsContact O-OG1 3.1Å; V55-M139 HydrophobicContact CG1-CG 4.39Å; V55-M139 HydrophobicContact CG1-SD 3.88Å; V55-V143 HydrophobicContact CG2-CG2 4.09Å
56G95.6Very high95.8Very high20 Ų2031.2 Ų31.221%0.20616%0.16CC..SBendtrans55.956.1-179.500000112.6G58 I77 T123G56-G58 PolarHBondContact O-N 3.2Å; G56-I77 VanDerWaalsContact CA-O 3.27Å; G56-I77 WeakPolarHBondContact CA-O 3.48Å; G56-I77 PolarHBondContact N-O 3.33Å; G56-T123 VanDerWaalsContact CA-OG1 3.32Å; G56-T123 WeakPolarHBondContact CA-OG1 3.22Å; G56-T123 PolarHBondContact O-OG1 3.43Å
57C93.8Very high95.8Very high12 Ų1232 Ų328%0.08116%0.163CC..  trans-63.8-23.9-170.7640000114.1V54 S60 N76 I77 D78V54-C57 HydrophobicContact CG1-CB 4.09Å; C57-S60 PolarHBondContact O-N 2.66Å; C57-N76 HydrophobicContact CB-CB 3.97Å; C57-I77 PolarHBondContact N-O 3.25Å; C57-D78 PolarHBondContact N-OD2 3.3Å
58G92.9Very high95.8Very high11 Ų1130 Ų3011%0.11316%0.158CC..THydrogen-bonded Turntrans51-143.4-174.700000112G56 D78 V83G56-G58 PolarHBondContact O-N 3.2Å; G58-D78 WeakPolarHBondContact CA-OD2 3.49Å; G58-D78 PolarHBondContact N-OD2 3.04Å; G58-V83 WeakPolarHBondContact O-CG2 3.27Å
59N91Very high95.7Very high12 Ų1230.3 Ų30.36%0.06416%0.16CC..THydrogen-bonded Turntrans-106.529174.174.3-23.9000113F21 R27 F29 V83 M87F21-N59 HydrophobicContact CD1-CB 4.46Å; F21-N59 HydrophobicContact CE1-CB 4.11Å; R27-N59 PolarHBondContact O-ND2 3.4Å; F29-N59 WeakPolarHBondContact CB-OD1 3.29Å; F29-N59 PolarHBondContact N-OD1 3.49Å; N59-V83 HydrophobicContact CB-CG2 3.73Å; N59-M87 HydrophobicContact CB-SD 4.16Å
60S91.8Very high95.7Very high13 Ų1325.5 Ų25.59%0.09114%0.144CC..  trans-70.6145.4179.3179.10000111.5E30 C57 L62 K121E30-S60 VanDerWaalsContact OE1-CA 3.25Å; E30-S60 WeakPolarHBondContact OE1-CA 3.21Å; E30-S60 WeakPolarHBondContact OE1-CB 3.48Å; E30-S60 PolarHBondContact OE1-OG 3.44Å; E30-S60 PolarHBondContact OE2-OG 3.5Å; C57-S60 PolarHBondContact O-N 2.66Å; S60-L62 PolarHBondContact O-N 2.98Å; S60-L62 WeakPolarHBondContact OG-CB 3.46Å; S60-L62 PolarHBondContact OG-N 3.41Å; S60-K121 WeakPolarHBondContact OG-CE 3.45Å; S60-K121 PolarHBondContact OG-NZ 2.88Å; S60-K121 VanDerWaalsContact OG-NZ 3.16Å
61E93.9Very high95.7Very high67 Ų6725 Ų2531%0.31314%0.141SC..SBendtrans-80.7-5.1173.7-59.2-171.5150.900112.5A28 E30 S63 E64 Q65 R90A28-E61 HydrophobicContact CB-CG 3.69Å; E30-E61 PolarHBondContact OE1-N 2.92Å; E61-S63 VanDerWaalsContact C-N 3.34Å; E61-S63 PolarHBondContact O-N 3.09Å; E61-E64 WeakPolarHBondContact O-CB 3.31Å; E61-E64 PolarHBondContact O-N 2.97Å; E61-Q65 HydrophobicContact CB-CG 4.46Å; E61-Q65 WeakPolarHBondContact O-CG 3.3Å; E61-Q65 PolarHBondContact O-N 3.26Å; E61-R90 IonicContact OE1-CZ 3.51Å; E61-R90 IonicContact OE1-NH1 3.88Å; E61-R90 IonicContact OE1-NH2 3.71Å; E61-R90 PolarHBondContact OE1-NH2 3.46Å
62L94.8Very high95.5Very high5 Ų523.8 Ų23.83%0.02614%0.135CC..Hα-helixtrans-56.2-46.1-175.1-179.459.9000112.5Y35 L38 L42 S60 E64 Q65 L66 L119 K121Y35-L62 HydrophobicContact CD2-CD1 3.93Å; L38-L62 HydrophobicContact CD1-CD2 4.49Å; L42-L62 HydrophobicContact CD1-CD1 3.84Å; L42-L62 HydrophobicContact CD1-CD2 4.41Å; S60-L62 PolarHBondContact O-N 2.98Å; S60-L62 WeakPolarHBondContact OG-CB 3.46Å; S60-L62 PolarHBondContact OG-N 3.41Å; L62-E64 VanDerWaalsContact C-N 3.34Å; L62-E64 PolarHBondContact O-N 3.36Å; L62-Q65 PolarHBondContact O-N 3.23Å; L62-L66 HydrophobicContact CD1-CD1 4.23Å; L62-L66 HydrophobicContact CD1-CG 4.35Å; L62-L66 HydrophobicContact CG-CD1 4.09Å; L62-L66 WeakPolarHBondContact O-CB 3.33Å; L62-L66 WeakPolarHBondContact O-CG 3.22Å; L62-L66 PolarHBondContact O-N 3.35Å; L62-L119 HydrophobicContact CD2-CD2 3.95Å; L62-L119 HydrophobicContact CG-CD2 4.47Å; L62-K121 HydrophobicContact CD2-CD 3.83Å; L62-K121 VanDerWaalsContact CD2-CE 3.5Å
63S96.1Very high95.4Very high4 Ų428.8 Ų28.83%0.02816%0.158CC..Hα-helixtrans-67.1-35.3178.2-59.70000112.6E61 Y67 L74 N76E61-S63 VanDerWaalsContact C-N 3.34Å; E61-S63 PolarHBondContact O-N 3.09Å; S63-Y67 VanDerWaalsContact O-CB 3.32Å; S63-Y67 WeakPolarHBondContact O-CB 3.35Å; S63-Y67 PolarHBondContact O-N 3.46Å; S63-L74 WeakPolarHBondContact O-CD1 3.14Å; S63-N76 WeakPolarHBondContact CB-OD1 3.32Å; S63-N76 PolarHBondContact OG-OD1 3.46Å
64E96.2Very high95.3Very high7 Ų729 Ų293%0.03316%0.16CC..Hα-helixtrans-65.1-43.7175.5-65.9-172.4-17300111.3E61 L62 Y67 D68 M87 R90 N91 R95 L98E61-E64 WeakPolarHBondContact O-CB 3.31Å; E61-E64 PolarHBondContact O-N 2.97Å; L62-E64 VanDerWaalsContact C-N 3.34Å; L62-E64 PolarHBondContact O-N 3.36Å; E64-Y67 WeakPolarHBondContact O-CB 3.31Å; E64-Y67 PolarHBondContact O-N 3.07Å; E64-D68 WeakPolarHBondContact O-CB 3.31Å; E64-D68 VanDerWaalsContact O-CG 3.24Å; E64-D68 PolarHBondContact O-N 3.37Å; E64-M87 HydrophobicContact CG-CE 4.43Å; E64-M87 WeakPolarHBondContact OE1-CE 3.43Å; E64-R90 VanDerWaalsContact OE1-CD 3.3Å; E64-R90 WeakPolarHBondContact OE1-CD 3.27Å; E64-R90 IonicContact OE1-CZ 2.89Å; E64-R90 IonicContact OE1-NE 3.72Å; E64-R90 PolarHBondContact OE1-NE 3.42Å; E64-R90 IonicContact OE1-NH2 3.58Å; E64-R90 IonicContact OE2-CZ 3.4Å; E64-R90 IonicContact OE2-NE 2.95Å; E64-R90 PolarHBondContact OE2-NE 3.42Å; E64-R90 IonicContact OE2-NH2 3.78Å; E64-R90 PolarHBondContact OE2-NH2 2.83Å; E64-R90 VanDerWaalsContact OE2-NH2 3.15Å; E64-N91 WeakPolarHBondContact CG-OD1 3.32Å; E64-N91 PolarHBondContact OE1-ND2 3.29Å; E64-N91 PolarHBondContact OE1-OD1 2.85Å; E64-R95 PolarHBondContact O-NE 3.11Å; E64-R95 IonicContact OE1-NH1 3.71Å; E64-R95 IonicContact OE2-CZ 3.36Å; E64-R95 IonicContact OE2-NH1 3.94Å; E64-R95 PolarHBondContact OE2-NH1 2.86Å; E64-R95 IonicContact OE2-NH2 2.79Å; E64-L98 HydrophobicContact CG-CD2 4.07Å
65Q96.3Very high95.3Very high48 Ų4830 Ų3022%0.22417%0.166CC..Hα-helixtrans-71.1-41.3-179.6-70.3168.6-37.100111.4Y35 E61 L62 Y67 D68 V69Y35-Q65 HydrophobicContact CD1-CB 4.17Å; Y35-Q65 HydrophobicContact CD2-CB 4.15Å; Y35-Q65 HydrophobicContact CG-CB 3.81Å; E61-Q65 HydrophobicContact CB-CG 4.46Å; E61-Q65 WeakPolarHBondContact O-CG 3.3Å; E61-Q65 PolarHBondContact O-N 3.26Å; L62-Q65 PolarHBondContact O-N 3.23Å; Q65-Y67 VanDerWaalsContact C-N 3.31Å; Q65-Y67 PolarHBondContact O-N 3.19Å; Q65-D68 PolarHBondContact O-N 2.96Å; Q65-V69 PolarHBondContact O-N 3.35Å; Q65-V69 VanDerWaalsContact O-N 3.11Å
66L96.3Very high95.3Very high3 Ų330 Ų302%0.01617%0.166CC..Hα-helixtrans-59.1-43.2171-75.8169.4000111.4Y35 L62 D68 V69 G70 Y71 L74 L119Y35-L66 HydrophobicContact CD2-CD2 4.36Å; Y35-L66 HydrophobicContact CD2-CG 4.42Å; Y35-L66 HydrophobicContact CE2-CD2 3.86Å; Y35-L66 HydrophobicContact CE2-CG 4.32Å; L62-L66 HydrophobicContact CD1-CD1 4.23Å; L62-L66 HydrophobicContact CD1-CG 4.35Å; L62-L66 HydrophobicContact CG-CD1 4.09Å; L62-L66 WeakPolarHBondContact O-CB 3.33Å; L62-L66 WeakPolarHBondContact O-CG 3.22Å; L62-L66 PolarHBondContact O-N 3.35Å; L66-D68 VanDerWaalsContact C-N 3.35Å; L66-D68 PolarHBondContact O-N 2.95Å; L66-V69 VanDerWaalsContact O-CG2 3.28Å; L66-V69 WeakPolarHBondContact O-CG2 3.41Å; L66-V69 PolarHBondContact O-N 2.99Å; L66-G70 PolarHBondContact O-N 2.64Å; L66-Y71 HydrophobicContact CB-CD2 4.28Å; L66-Y71 HydrophobicContact CB-CG 4.4Å; L66-Y71 HydrophobicContact CD2-CD2 3.93Å; L66-Y71 HydrophobicContact CD2-CE2 3.92Å; L66-Y71 HydrophobicContact CD2-CG 4.39Å; L66-Y71 WeakPolarHBondContact O-CB 3.45Å; L66-Y71 VanDerWaalsContact O-CD2 3.3Å; L66-Y71 WeakPolarHBondContact O-CD2 3.5Å; L66-Y71 PolarHBondContact O-N 3.27Å; L66-L74 HydrophobicContact CB-CD1 4.01Å; L66-L119 HydrophobicContact CD1-CD2 3.75Å
67Y96.8Very high95.5Very high18 Ų1829 Ų297%0.07116%0.156CC..Hα-helixtrans-61.4-43.3176.1-177.5-89000112.5S63 E64 Q65 V69 G70 Y71 K72 R95 D97 L98S63-Y67 VanDerWaalsContact O-CB 3.32Å; S63-Y67 WeakPolarHBondContact O-CB 3.35Å; S63-Y67 PolarHBondContact O-N 3.46Å; E64-Y67 WeakPolarHBondContact O-CB 3.31Å; E64-Y67 PolarHBondContact O-N 3.07Å; Q65-Y67 VanDerWaalsContact C-N 3.31Å; Q65-Y67 PolarHBondContact O-N 3.19Å; Y67-V69 VanDerWaalsContact C-N 3.28Å; Y67-V69 PolarHBondContact O-N 3.2Å; Y67-G70 PolarHBondContact O-N 3.36Å; Y67-G70 VanDerWaalsContact O-N 3.14Å; Y67-Y71 WeakPolarHBondContact CA-O 3.4Å; Y67-K72 HydrophobicContact CD2-CD 3.86Å; Y67-K72 HydrophobicContact CE1-CD 4.38Å; Y67-K72 HydrophobicContact CE2-CD 3.47Å; Y67-K72 VanDerWaalsContact CE2-CD 3.47Å; Y67-K72 HydrophobicContact CG-CD 4.46Å; Y67-K72 PolarHBondContact O-NZ 3.29Å; Y67-R95 HydrophobicContact CD1-CB 3.91Å; Y67-R95 HydrophobicContact CD1-CG 3.67Å; Y67-R95 HydrophobicContact CE1-CB 3.75Å; Y67-R95 HydrophobicContact CE1-CG 3.79Å; Y67-D97 HydrophobicContact CE2-CB 4.1Å; Y67-L98 HydrophobicContact CD2-CB 4.14Å; Y67-L98 HydrophobicContact CD2-CD1 4.25Å; Y67-L98 HydrophobicContact CE2-CB 4.37Å; Y67-L98 HydrophobicContact CG-CB 4.49Å
68D95.8Very high95.6Very high71 Ų7129.1 Ų29.138%0.3816%0.156SC..Hα-helixtrans-65.4-30.7-178.9-74.1-4.3000111.9E64 Q65 L66 R94 R95E64-D68 WeakPolarHBondContact O-CB 3.31Å; E64-D68 VanDerWaalsContact O-CG 3.24Å; E64-D68 PolarHBondContact O-N 3.37Å; Q65-D68 PolarHBondContact O-N 2.96Å; L66-D68 VanDerWaalsContact C-N 3.35Å; L66-D68 PolarHBondContact O-N 2.95Å; D68-R94 IonicContact OD2-CZ 3.57Å; D68-R94 IonicContact OD2-NH2 3.15Å; D68-R94 PolarHBondContact OD2-NH2 3.38Å; D68-R94 VanDerWaalsContact OD2-NH2 3.11Å; D68-R95 IonicContact OD1-CZ 3.48Å; D68-R95 IonicContact OD1-NE 2.74Å; D68-R95 PolarHBondContact OD1-NE 2.65Å; D68-R95 IonicContact OD1-NH2 2.84Å; D68-R95 IonicContact OD2-CZ 3.65Å; D68-R95 IonicContact OD2-NE 3.44Å; D68-R95 PolarHBondContact OD2-NE 2.77Å; D68-R95 IonicContact OD2-NH2 3.62Å; D68-R95 PolarHBondContact OD2-NH2 3.15Å
69V95.8Very high95.8Very high74 Ų7431.7 Ų31.745%0.44817%0.166SC..THydrogen-bonded Turntrans-88.92.3175.2-55.50000114.4Y35 Q65 L66 Y67 Y71Y35-V69 HydrophobicContact CE1-CG1 4.34Å; Y35-V69 HydrophobicContact CE2-CG2 4.47Å; Y35-V69 WeakPolarHBondContact OH-CG2 3.11Å; Q65-V69 PolarHBondContact O-N 3.35Å; Q65-V69 VanDerWaalsContact O-N 3.11Å; L66-V69 VanDerWaalsContact O-CG2 3.28Å; L66-V69 WeakPolarHBondContact O-CG2 3.41Å; L66-V69 PolarHBondContact O-N 2.99Å; Y67-V69 VanDerWaalsContact C-N 3.28Å; Y67-V69 PolarHBondContact O-N 3.2Å; V69-Y71 HydrophobicContact CG2-CD2 3.86Å; V69-Y71 HydrophobicContact CG2-CE2 3.97Å
70G95.9Very high95.9Very high25 Ų2531.2 Ų31.226%0.25816%0.164SC..THydrogen-bonded Turntrans124-6.5165.500000116.5V48 L66 Y67 K72V48-G70 WeakPolarHBondContact CG1-O 3.24Å; L66-G70 PolarHBondContact O-N 2.64Å; Y67-G70 PolarHBondContact O-N 3.36Å; Y67-G70 VanDerWaalsContact O-N 3.14Å; G70-K72 WeakPolarHBondContact O-CG 3.46Å; G70-K72 PolarHBondContact O-N 3.34Å
71Y96.3Very high96.1Very high9 Ų936.4 Ų36.44%0.03519%0.187CC..  trans-73.996.6179.8-66.6-103.9000110.2H43 I46 K47 V48 L66 Y67 V69H43-Y71 AromaticContact CD2-CE2 3.89Å; H43-Y71 AromaticContact CD2-CZ 3.93Å; H43-Y71 PolarHBondContact CD2-OH 3.22Å; H43-Y71 VanDerWaalsContact CD2-OH 3.23Å; H43-Y71 AromaticContact NE2-CE2 3.91Å; I46-Y71 HydrophobicContact CB-CE1 4.1Å; I46-Y71 HydrophobicContact CG2-CD1 4.1Å; I46-Y71 HydrophobicContact CG2-CE1 3.67Å; I46-Y71 WeakPolarHBondContact O-CE1 3.31Å; I46-Y71 PolarHBondContact O-OH 2.86Å; K47-Y71 VanDerWaalsContact C-CE1 3.42Å; K47-Y71 WeakPolarHBondContact O-CE1 3.42Å; V48-Y71 HydrophobicContact CG2-CD2 4.47Å; V48-Y71 HydrophobicContact CG2-CE1 4.44Å; V48-Y71 HydrophobicContact CG2-CE2 4.07Å; L66-Y71 HydrophobicContact CB-CD2 4.28Å; L66-Y71 HydrophobicContact CB-CG 4.4Å; L66-Y71 HydrophobicContact CD2-CD2 3.93Å; L66-Y71 HydrophobicContact CD2-CE2 3.92Å; L66-Y71 HydrophobicContact CD2-CG 4.39Å; L66-Y71 WeakPolarHBondContact O-CB 3.45Å; L66-Y71 VanDerWaalsContact O-CD2 3.3Å; L66-Y71 WeakPolarHBondContact O-CD2 3.5Å; L66-Y71 PolarHBondContact O-N 3.27Å; Y67-Y71 WeakPolarHBondContact CA-O 3.4Å; V69-Y71 HydrophobicContact CG2-CD2 3.86Å; V69-Y71 HydrophobicContact CG2-CE2 3.97Å
72K94.9Very high96Very high88 Ų8834.1 Ų34.138%0.38318%0.177SC..  trans-92.9-7.1-173.6-59.9-49.2-176.5-1700115.1Y67 G70Y67-K72 HydrophobicContact CD2-CD 3.86Å; Y67-K72 HydrophobicContact CE1-CD 4.38Å; Y67-K72 HydrophobicContact CE2-CD 3.47Å; Y67-K72 VanDerWaalsContact CE2-CD 3.47Å; Y67-K72 HydrophobicContact CG-CD 4.46Å; Y67-K72 PolarHBondContact O-NZ 3.29Å; G70-K72 WeakPolarHBondContact O-CG 3.46Å; G70-K72 PolarHBondContact O-N 3.34Å
73H95.8Very high95.9Very high106 Ų10633.9 Ų33.949%0.49118%0.176SC..  trans-113.258.3-176.6-57.8-51.6000111.7K51 V52K51-H73 HydrophobicContact CG-CB 4.28Å; V52-H73 PolarHBondContact N-O 3.16Å
74L96.7Very high95.9Very high6 Ų634.3 Ų34.33%0.03118%0.178CC..EExtended strand (participates in β ladder)trans-102.6120.2-179.5-58.5178.9000110.5V52 S63 L66 L98V52-L74 HydrophobicContact CB-CD2 3.73Å; V52-L74 HydrophobicContact CG1-CD2 4.34Å; V52-L74 HydrophobicContact CG2-CD2 3.96Å; S63-L74 WeakPolarHBondContact O-CD1 3.14Å; L66-L74 HydrophobicContact CB-CD1 4.01Å; L74-L98 HydrophobicContact CB-CD1 3.83Å; L74-L98 HydrophobicContact CD1-CD1 3.84Å; L74-L98 HydrophobicContact CG-CD1 4.41Å
75T97.1Very high95.8Very high30 Ų3036.5 Ų36.518%0.18420%0.197CC..EExtended strand (participates in β ladder)trans-106.9108.1171-57.90000108.4V52 L53 V54 Y110 F115V52-T75 PolarHBondContact O-N 2.9Å; L53-T75 HydrophobicContact CD1-CG2 4.28Å; V54-T75 PolarHBondContact N-O 2.88Å; T75-Y110 HydrophobicContact CG2-CE1 4.21Å; T75-Y110 VanDerWaalsContact CG2-OH 3.26Å; T75-Y110 WeakPolarHBondContact CG2-OH 3.39Å; T75-F115 HydrophobicContact CG2-CZ 4.35Å
76N98.3Very high95.7Very high0 Ų037.4 Ų37.40%020%0.202CC..EExtended strand (participates in β ladder)trans-97.8129.1-176.7-53.8-86000110.1V54 C57 S63 L98 T99 F100 H101V54-N76 HydrophobicContact CB-CB 4.48Å; V54-N76 WeakPolarHBondContact CB-OD1 3.36Å; V54-N76 WeakPolarHBondContact CG2-OD1 3.42Å; C57-N76 HydrophobicContact CB-CB 3.97Å; S63-N76 WeakPolarHBondContact CB-OD1 3.32Å; S63-N76 PolarHBondContact OG-OD1 3.46Å; N76-L98 WeakPolarHBondContact ND2-CD1 3.3Å; N76-T99 WeakPolarHBondContact CB-O 3.34Å; N76-T99 PolarHBondContact N-O 2.85Å; N76-T99 PolarHBondContact ND2-O 2.99Å; N76-F100 HydrophobicContact CB-CD1 3.39Å; N76-F100 HydrophobicContact CB-CE1 3.68Å; N76-F100 HydrophobicContact CB-CG 4.03Å; N76-F100 CarbonylContact O-C 3.57Å; N76-F100 WeakPolarHBondContact O-CA 3.44Å; N76-H101 PolarHBondContact O-N 2.87Å
77I98.3Very high95.7Very high1 Ų137.4 Ų37.41%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-123.6143.9178.564.2166.2000112.3L53 V54 V55 G56 C57 H101 V103 A105 T108 Y110L53-I77 HydrophobicContact CD1-CD1 4.09Å; L53-I77 HydrophobicContact CD1-CG1 4.11Å; L53-I77 HydrophobicContact CD1-CG2 4.02Å; V54-I77 WeakPolarHBondContact O-CG1 3.28Å; V54-I77 PolarHBondContact O-N 3.44Å; V55-I77 HydrophobicContact CG1-CD1 4.48Å; V55-I77 HydrophobicContact CG2-CD1 4.43Å; G56-I77 VanDerWaalsContact CA-O 3.27Å; G56-I77 WeakPolarHBondContact CA-O 3.48Å; G56-I77 PolarHBondContact N-O 3.33Å; C57-I77 PolarHBondContact N-O 3.25Å; I77-H101 WeakPolarHBondContact CA-O 3.48Å; I77-H101 HydrophobicContact CG2-CB 4.42Å; I77-V103 HydrophobicContact CB-CB 3.97Å; I77-V103 HydrophobicContact CD1-CB 4.43Å; I77-V103 HydrophobicContact CD1-CG1 4.23Å; I77-V103 HydrophobicContact CG2-CB 3.9Å; I77-V103 HydrophobicContact CG2-CG1 4.46Å; I77-V103 HydrophobicContact CG2-CG2 3.97Å; I77-A105 HydrophobicContact CD1-CB 4.12Å; I77-T108 HydrophobicContact CD1-CG2 4.17Å; I77-Y110 HydrophobicContact CG2-CE2 4.13Å; I77-Y110 VanDerWaalsContact CG2-OH 3.31Å; I77-Y110 WeakPolarHBondContact CG2-OH 3.38Å
78D97.7Very high95.6Very high14 Ų1439.5 Ų39.58%0.07521%0.214CC..EExtended strand (participates in β ladder)trans-148.5156.1170.7-155.6-74.7000110.5C57 G58 S80 V83 V84 H101 Q102 V103C57-D78 PolarHBondContact N-OD2 3.3Å; G58-D78 WeakPolarHBondContact CA-OD2 3.49Å; G58-D78 PolarHBondContact N-OD2 3.04Å; D78-S80 PolarHBondContact OD1-N 3.49Å; D78-V83 HydrophobicContact CB-CG1 3.77Å; D78-V84 HydrophobicContact CB-CG2 4.01Å; D78-H101 PolarHBondContact N-O 2.82Å; D78-H101 VanDerWaalsContact N-O 3.14Å; D78-Q102 CarbonylContact O-C 3.54Å; D78-Q102 VanDerWaalsContact O-CA 3.28Å; D78-Q102 WeakPolarHBondContact O-CA 3.43Å; D78-V103 CarbonylContact C-O 3.58Å; D78-V103 PolarHBondContact O-N 3Å
79I95.6Very high95.5Very high65 Ų6543.1 Ų43.133%0.33323%0.229SC..SBendtrans-77.5-26176.5-165.865.5000111.7A14 Q102 D104A14-I79 HydrophobicContact CB-CG1 3.83Å; A14-I79 HydrophobicContact CB-CG2 4.06Å; I79-Q102 PolarHBondContact O-NE2 3.34Å; I79-D104 HydrophobicContact CD1-CB 3.83Å
80S94.6Very high95.3Very high2 Ų244 Ų441%0.01422%0.224CC..  trans-81.6118.1-177.8173.80000111.9E18 D78 T82 V83 V84E18-S80 WeakPolarHBondContact OE2-CA 3.35Å; E18-S80 WeakPolarHBondContact OE2-CB 3.44Å; E18-S80 PolarHBondContact OE2-OG 3.46Å; D78-S80 PolarHBondContact OD1-N 3.49Å; S80-T82 VanDerWaalsContact C-N 3.3Å; S80-T82 PolarHBondContact O-N 3.32Å; S80-T82 PolarHBondContact OG-N 3.17Å; S80-V83 PolarHBondContact O-N 2.91Å; S80-V83 PolarHBondContact OG-N 3.22Å; S80-V84 WeakPolarHBondContact O-CG2 3.34Å; S80-V84 PolarHBondContact O-N 3.46Å
81E94.2Very high95.3Very high122 Ų12242.9 Ų42.957%0.5721%0.212SC*.Hα-helixtrans-61.8-40.5173-169.5-178.8173.400111.3E18 V83 V84 A85E18-E81 PolarHBondContact OE2-N 2.86Å; E81-V83 PolarHBondContact O-N 3.46Å; E81-V84 PolarHBondContact O-N 3.32Å; E81-A85 WeakPolarHBondContact O-CB 3.32Å; E81-A85 PolarHBondContact O-N 2.9Å
82T92.4Very high95.1Very high19 Ų1945.4 Ų45.412%0.11724%0.235CC..Hα-helixtrans-58.3-48.2-179.2-71.10000111.4E18 F21 K22 S80 A85 H86E18-T82 WeakPolarHBondContact OE1-CB 3.45Å; E18-T82 PolarHBondContact OE1-OG1 2.9Å; E18-T82 PolarHBondContact OE2-N 3.37Å; F21-T82 HydrophobicContact CB-CG2 3.97Å; K22-T82 VanDerWaalsContact CE-OG1 3.29Å; K22-T82 WeakPolarHBondContact CE-OG1 3.38Å; K22-T82 HydrophobicContact CG-CG2 4.07Å; S80-T82 VanDerWaalsContact C-N 3.3Å; S80-T82 PolarHBondContact O-N 3.32Å; S80-T82 PolarHBondContact OG-N 3.17Å; T82-A85 PolarHBondContact O-N 3.47Å; T82-H86 VanDerWaalsContact CG2-CE1 3.48Å; T82-H86 WeakPolarHBondContact CG2-CE1 3.11Å; T82-H86 PolarHBondContact O-CD2 3.06Å; T82-H86 VanDerWaalsContact O-CG 3.23Å; T82-H86 PolarHBondContact O-N 3.48Å
83V93.1Very high94.9Very high0 Ų050.4 Ų50.40%026%0.259CS..Hα-helixtrans-69.7-37.2-177.184.20000111.8F21 G58 N59 D78 S80 E81 H86 M87F21-V83 HydrophobicContact CB-CB 4.38Å; F21-V83 HydrophobicContact CD1-CB 4.17Å; F21-V83 HydrophobicContact CD1-CG2 3.69Å; F21-V83 HydrophobicContact CD2-CB 3.67Å; F21-V83 HydrophobicContact CD2-CG1 4.25Å; F21-V83 HydrophobicContact CD2-CG2 4.04Å; F21-V83 HydrophobicContact CE1-CB 4.4Å; F21-V83 HydrophobicContact CE1-CG2 3.7Å; F21-V83 HydrophobicContact CE2-CB 3.91Å; F21-V83 HydrophobicContact CE2-CG1 4.12Å; F21-V83 HydrophobicContact CE2-CG2 4.03Å; F21-V83 HydrophobicContact CG-CB 3.82Å; F21-V83 HydrophobicContact CG-CG2 3.88Å; F21-V83 HydrophobicContact CZ-CB 4.28Å; F21-V83 HydrophobicContact CZ-CG2 3.88Å; G58-V83 WeakPolarHBondContact O-CG2 3.27Å; N59-V83 HydrophobicContact CB-CG2 3.73Å; D78-V83 HydrophobicContact CB-CG1 3.77Å; S80-V83 PolarHBondContact O-N 2.91Å; S80-V83 PolarHBondContact OG-N 3.22Å; E81-V83 PolarHBondContact O-N 3.46Å; V83-H86 PolarHBondContact O-N 3.39Å; V83-M87 HydrophobicContact CG2-CG 4.39Å; V83-M87 WeakPolarHBondContact O-CB 3.36Å; V83-M87 VanDerWaalsContact O-CG 3.25Å; V83-M87 WeakPolarHBondContact O-CG 3.13Å; V83-M87 PolarHBondContact O-N 3.45Å
84V96.1Very high94.9Very high12 Ų1253.6 Ų53.67%0.07327%0.267CS..Hα-helixtrans-62.6-45.7176169.30000111.1D78 S80 E81 M87 N88 F100 Q102D78-V84 HydrophobicContact CB-CG2 4.01Å; S80-V84 WeakPolarHBondContact O-CG2 3.34Å; S80-V84 PolarHBondContact O-N 3.46Å; E81-V84 PolarHBondContact O-N 3.32Å; V84-M87 PolarHBondContact O-N 3.49Å; V84-N88 WeakPolarHBondContact O-CB 3.42Å; V84-N88 PolarHBondContact O-N 2.58Å; V84-N88 PolarHBondContact O-ND2 3.13Å; V84-N88 VanDerWaalsContact O-ND2 3.14Å; V84-F100 HydrophobicContact CG1-CB 4.15Å; V84-F100 WeakPolarHBondContact CG1-O 3.17Å; V84-Q102 HydrophobicContact CG2-CB 4.44Å
85A94.4Very high94.8Very high53 Ų5354 Ų5444%0.43827%0.268SS..Hα-helixtrans-61.3-46.2176.800000111.5E81 T82 M87 N88 Q89E81-A85 WeakPolarHBondContact O-CB 3.32Å; E81-A85 PolarHBondContact O-N 2.9Å; T82-A85 PolarHBondContact O-N 3.47Å; A85-M87 PolarHBondContact O-N 3Å; A85-N88 PolarHBondContact O-N 3.05Å; A85-Q89 WeakPolarHBondContact O-CB 3.46Å; A85-Q89 PolarHBondContact O-N 2.56Å
86H93.8Very high94.4Very high68 Ų6856.7 Ų56.732%0.31529%0.287SS..Hα-helixtrans-61-45.3177-69.7177.5000112.3T82 V83 Q89 R90T82-H86 VanDerWaalsContact CG2-CE1 3.48Å; T82-H86 WeakPolarHBondContact CG2-CE1 3.11Å; T82-H86 PolarHBondContact O-CD2 3.06Å; T82-H86 VanDerWaalsContact O-CG 3.23Å; T82-H86 PolarHBondContact O-N 3.48Å; V83-H86 PolarHBondContact O-N 3.39Å; H86-Q89 PolarHBondContact O-N 3.36Å; H86-R90 VanDerWaalsContact O-CB 3.23Å; H86-R90 WeakPolarHBondContact O-CB 3.49Å; H86-R90 PolarHBondContact O-N 3.33Å
87M95.6Very high94Very high3 Ų362 Ų622%0.01532%0.315CS..Hα-helixtrans-68.7-38.3-178.1-70.7-57.6-71.300112.5N59 E64 V83 V84 A85 R90 N91 F100N59-M87 HydrophobicContact CB-SD 4.16Å; E64-M87 HydrophobicContact CG-CE 4.43Å; E64-M87 WeakPolarHBondContact OE1-CE 3.43Å; V83-M87 HydrophobicContact CG2-CG 4.39Å; V83-M87 WeakPolarHBondContact O-CB 3.36Å; V83-M87 VanDerWaalsContact O-CG 3.25Å; V83-M87 WeakPolarHBondContact O-CG 3.13Å; V83-M87 PolarHBondContact O-N 3.45Å; V84-M87 PolarHBondContact O-N 3.49Å; A85-M87 PolarHBondContact O-N 3Å; M87-R90 PolarHBondContact O-N 2.94Å; M87-N91 WeakPolarHBondContact O-CB 3.3Å; M87-N91 PolarHBondContact O-N 3.01Å; M87-N91 VanDerWaalsContact O-N 3.13Å; M87-N91 PolarHBondContact O-ND2 3.05Å; M87-F100 HydrophobicContact CB-CB 4.4Å; M87-F100 HydrophobicContact CB-CD1 3.58Å; M87-F100 HydrophobicContact CB-CD2 3.86Å; M87-F100 HydrophobicContact CB-CE1 3.71Å; M87-F100 HydrophobicContact CB-CE2 3.97Å; M87-F100 HydrophobicContact CB-CG 3.68Å; M87-F100 HydrophobicContact CB-CZ 3.9Å; M87-F100 HydrophobicContact CE-CE1 3.67Å; M87-F100 HydrophobicContact CE-CE2 4.5Å; M87-F100 HydrophobicContact CE-CZ 3.58Å; M87-F100 HydrophobicContact CG-CD1 4.16Å; M87-F100 HydrophobicContact CG-CE1 4.05Å; M87-F100 HydrophobicContact CG-CZ 4.49Å
88N95.1Very high93.8Very high62 Ų6262.2 Ų62.233%0.33232%0.316SS..Hα-helixtrans-63.6-45.2172.7-79.3-44000111.4V84 A85 R90 N91 A92 F100V84-N88 WeakPolarHBondContact O-CB 3.42Å; V84-N88 PolarHBondContact O-N 2.58Å; V84-N88 PolarHBondContact O-ND2 3.13Å; V84-N88 VanDerWaalsContact O-ND2 3.14Å; A85-N88 PolarHBondContact O-N 3.05Å; N88-R90 PolarHBondContact O-N 3.03Å; N88-N91 PolarHBondContact O-N 2.92Å; N88-A92 WeakPolarHBondContact O-CB 3.36Å; N88-A92 PolarHBondContact O-N 3.09Å; N88-F100 PolarHBondContact ND2-O 2.97Å; N88-F100 PolarHBondContact OD1-N 3.38Å
89Q93.6Very high93.4Very high147 Ų14764 Ų6469%0.68733%0.328SS*.Hα-helixtrans-61.8-45.7177-176.6-179.7100111.8A85 H86 N91 A92A85-Q89 WeakPolarHBondContact O-CB 3.46Å; A85-Q89 PolarHBondContact O-N 2.56Å; H86-Q89 PolarHBondContact O-N 3.36Å; Q89-N91 PolarHBondContact O-N 3.41Å; Q89-A92 PolarHBondContact O-N 3.12Å
90R92.6Very high93.5Very high92 Ų9261.2 Ų61.235%0.34731%0.313SS..Hα-helixtrans-59.9-32.4179.7179.5178.6170.4171-0.3112.8E61 E64 H86 M87 N88E61-R90 IonicContact OE1-CZ 3.51Å; E61-R90 IonicContact OE1-NH1 3.88Å; E61-R90 IonicContact OE1-NH2 3.71Å; E61-R90 PolarHBondContact OE1-NH2 3.46Å; E64-R90 VanDerWaalsContact OE1-CD 3.3Å; E64-R90 WeakPolarHBondContact OE1-CD 3.27Å; E64-R90 IonicContact OE1-CZ 2.89Å; E64-R90 IonicContact OE1-NE 3.72Å; E64-R90 PolarHBondContact OE1-NE 3.42Å; E64-R90 IonicContact OE1-NH2 3.58Å; E64-R90 IonicContact OE2-CZ 3.4Å; E64-R90 IonicContact OE2-NE 2.95Å; E64-R90 PolarHBondContact OE2-NE 3.42Å; E64-R90 IonicContact OE2-NH2 3.78Å; E64-R90 PolarHBondContact OE2-NH2 2.83Å; E64-R90 VanDerWaalsContact OE2-NH2 3.15Å; H86-R90 VanDerWaalsContact O-CB 3.23Å; H86-R90 WeakPolarHBondContact O-CB 3.49Å; H86-R90 PolarHBondContact O-N 3.33Å; M87-R90 PolarHBondContact O-N 2.94Å; N88-R90 PolarHBondContact O-N 3.03Å
91N94.8Very high93.7Very high2 Ų264.9 Ų64.91%0.01133%0.33CS..Hα-helixtrans-103.4-8.5-173.4-73.6-73.1000114.7E64 M87 N88 Q89 E93 R94 R95 F100E64-N91 WeakPolarHBondContact CG-OD1 3.32Å; E64-N91 PolarHBondContact OE1-ND2 3.29Å; E64-N91 PolarHBondContact OE1-OD1 2.85Å; M87-N91 WeakPolarHBondContact O-CB 3.3Å; M87-N91 PolarHBondContact O-N 3.01Å; M87-N91 VanDerWaalsContact O-N 3.13Å; M87-N91 PolarHBondContact O-ND2 3.05Å; N88-N91 PolarHBondContact O-N 2.92Å; Q89-N91 PolarHBondContact O-N 3.41Å; N91-E93 VanDerWaalsContact C-N 3.32Å; N91-E93 PolarHBondContact O-N 3.03Å; N91-R94 PolarHBondContact O-N 3.27Å; N91-R95 HydrophobicContact CB-CB 4.22Å; N91-R95 CarbonylContact O-C 3.21Å; N91-R95 WeakPolarHBondContact O-CA 3.38Å; N91-R95 PolarHBondContact O-N 3.22Å; N91-R95 WeakPolarHBondContact OD1-CD 3.37Å; N91-R95 PolarHBondContact OD1-NH1 2.92Å; N91-F100 HydrophobicContact CB-CE2 4.35Å
92A92.4Very high93.8Very high62 Ų6264 Ų6451%0.51233%0.326SS..THydrogen-bonded Turntrans-52.4-42.2-173.200000114.6N88 Q89N88-A92 WeakPolarHBondContact O-CB 3.36Å; N88-A92 PolarHBondContact O-N 3.09Å; Q89-A92 PolarHBondContact O-N 3.12Å
93E91.9Very high94.1Very high192 Ų19264 Ų6490%0.89733%0.326SS*.THydrogen-bonded Turntrans-86.9-44.9-178.2-64.6-175.5176.100112.8N91N91-E93 VanDerWaalsContact C-N 3.32Å; N91-E93 PolarHBondContact O-N 3.03Å
94R93.9Very high94.2Very high174 Ų17467.3 Ų67.366%0.65734%0.343SS*.THydrogen-bonded Turntrans-84.2-30.9-171.1-175.5174.2167.7168.3-7.1113.2D68 N91D68-R94 IonicContact OD2-CZ 3.57Å; D68-R94 IonicContact OD2-NH2 3.15Å; D68-R94 PolarHBondContact OD2-NH2 3.38Å; D68-R94 VanDerWaalsContact OD2-NH2 3.11Å; N91-R94 PolarHBondContact O-N 3.27Å
95R95.3Very high94.2Very high13 Ų1367.1 Ų67.15%0.04934%0.343CS..  trans-139.462.7-172.6-53-176.2-172.797.9-5.5110.1E64 Y67 D68 N91 D97 L98E64-R95 PolarHBondContact O-NE 3.11Å; E64-R95 IonicContact OE1-NH1 3.71Å; E64-R95 IonicContact OE2-CZ 3.36Å; E64-R95 IonicContact OE2-NH1 3.94Å; E64-R95 PolarHBondContact OE2-NH1 2.86Å; E64-R95 IonicContact OE2-NH2 2.79Å; Y67-R95 HydrophobicContact CD1-CB 3.91Å; Y67-R95 HydrophobicContact CD1-CG 3.67Å; Y67-R95 HydrophobicContact CE1-CB 3.75Å; Y67-R95 HydrophobicContact CE1-CG 3.79Å; D68-R95 IonicContact OD1-CZ 3.48Å; D68-R95 IonicContact OD1-NE 2.74Å; D68-R95 PolarHBondContact OD1-NE 2.65Å; D68-R95 IonicContact OD1-NH2 2.84Å; D68-R95 IonicContact OD2-CZ 3.65Å; D68-R95 IonicContact OD2-NE 3.44Å; D68-R95 PolarHBondContact OD2-NE 2.77Å; D68-R95 IonicContact OD2-NH2 3.62Å; D68-R95 PolarHBondContact OD2-NH2 3.15Å; N91-R95 HydrophobicContact CB-CB 4.22Å; N91-R95 CarbonylContact O-C 3.21Å; N91-R95 WeakPolarHBondContact O-CA 3.38Å; N91-R95 PolarHBondContact O-N 3.22Å; N91-R95 WeakPolarHBondContact OD1-CD 3.37Å; N91-R95 PolarHBondContact OD1-NH1 2.92Å; R95-D97 PolarHBondContact O-N 2.92Å; R95-D97 VanDerWaalsContact O-N 3.1Å; R95-L98 HydrophobicContact CB-CB 3.82Å; R95-L98 HydrophobicContact CB-CD2 4.31Å; R95-L98 WeakPolarHBondContact O-CB 3.31Å; R95-L98 PolarHBondContact O-N 3.02Å
96P88.8Confident94.3Very high88 Ų8865.8 Ų65.857%0.57133%0.33SS*.THydrogen-bonded Turntrans-60.7-25.3-171.924.8-35.6000113.8
97D89.6Confident94.4Very high110 Ų11070 Ų7059%0.58835%0.349SS*.THydrogen-bonded Turntrans-88.3-1.7178.4-55.9-42.5000113.5Y67 R95 T99Y67-D97 HydrophobicContact CE2-CB 4.1Å; R95-D97 PolarHBondContact O-N 2.92Å; R95-D97 VanDerWaalsContact O-N 3.1Å; D97-T99 PolarHBondContact O-N 3.05Å
98L94.4Very high94.5Very high6 Ų670.5 Ų70.53%0.03135%0.353CS..  trans-89.3100178-174.564.4000110.2E64 Y67 L74 N76 R95 F100E64-L98 HydrophobicContact CG-CD2 4.07Å; Y67-L98 HydrophobicContact CD2-CB 4.14Å; Y67-L98 HydrophobicContact CD2-CD1 4.25Å; Y67-L98 HydrophobicContact CE2-CB 4.37Å; Y67-L98 HydrophobicContact CG-CB 4.49Å; L74-L98 HydrophobicContact CB-CD1 3.83Å; L74-L98 HydrophobicContact CD1-CD1 3.84Å; L74-L98 HydrophobicContact CG-CD1 4.41Å; N76-L98 WeakPolarHBondContact ND2-CD1 3.3Å; R95-L98 HydrophobicContact CB-CB 3.82Å; R95-L98 HydrophobicContact CB-CD2 4.31Å; R95-L98 WeakPolarHBondContact O-CB 3.31Å; R95-L98 PolarHBondContact O-N 3.02Å; L98-F100 HydrophobicContact CD2-CE2 3.91Å; L98-F100 HydrophobicContact CD2-CZ 3.88Å; L98-F100 HydrophobicContact CG-CE2 3.71Å; L98-F100 HydrophobicContact CG-CZ 3.97Å
99T89.8Confident94.6Very high53 Ų5372.5 Ų72.533%0.32537%0.369SS..EExtended strand (participates in β ladder)trans-96.3138.9-172.555.90000113.3N76 D97N76-T99 WeakPolarHBondContact CB-O 3.34Å; N76-T99 PolarHBondContact N-O 2.85Å; N76-T99 PolarHBondContact ND2-O 2.99Å; D97-T99 PolarHBondContact O-N 3.05Å
100F97.5Very high94.8Very high6 Ų667.6 Ų67.63%0.02634%0.344CS..EExtended strand (participates in β ladder)trans-121.5133.9173.5-59.3-100.1000110.8N76 V84 M87 N88 N91 L98N76-F100 HydrophobicContact CB-CD1 3.39Å; N76-F100 HydrophobicContact CB-CE1 3.68Å; N76-F100 HydrophobicContact CB-CG 4.03Å; N76-F100 CarbonylContact O-C 3.57Å; N76-F100 WeakPolarHBondContact O-CA 3.44Å; V84-F100 HydrophobicContact CG1-CB 4.15Å; V84-F100 WeakPolarHBondContact CG1-O 3.17Å; M87-F100 HydrophobicContact CB-CB 4.4Å; M87-F100 HydrophobicContact CB-CD1 3.58Å; M87-F100 HydrophobicContact CB-CD2 3.86Å; M87-F100 HydrophobicContact CB-CE1 3.71Å; M87-F100 HydrophobicContact CB-CE2 3.97Å; M87-F100 HydrophobicContact CB-CG 3.68Å; M87-F100 HydrophobicContact CB-CZ 3.9Å; M87-F100 HydrophobicContact CE-CE1 3.67Å; M87-F100 HydrophobicContact CE-CE2 4.5Å; M87-F100 HydrophobicContact CE-CZ 3.58Å; M87-F100 HydrophobicContact CG-CD1 4.16Å; M87-F100 HydrophobicContact CG-CE1 4.05Å; M87-F100 HydrophobicContact CG-CZ 4.49Å; N88-F100 PolarHBondContact ND2-O 2.97Å; N88-F100 PolarHBondContact OD1-N 3.38Å; N91-F100 HydrophobicContact CB-CE2 4.35Å; L98-F100 HydrophobicContact CD2-CE2 3.91Å; L98-F100 HydrophobicContact CD2-CZ 3.88Å; L98-F100 HydrophobicContact CG-CE2 3.71Å; L98-F100 HydrophobicContact CG-CZ 3.97Å
101H97.7Very high95.1Very high78 Ų7870.9 Ų70.936%0.36136%0.364SS..EExtended strand (participates in β ladder)trans-128.9140.7-176.6-56.4-77.6000112.1N76 I77 D78 V103N76-H101 PolarHBondContact O-N 2.87Å; I77-H101 WeakPolarHBondContact CA-O 3.48Å; I77-H101 HydrophobicContact CG2-CB 4.42Å; D78-H101 PolarHBondContact N-O 2.82Å; D78-H101 VanDerWaalsContact N-O 3.14Å; H101-V103 HydrophobicContact CB-CG2 3.95Å; H101-V103 PolarHBondContact O-N 3.06Å
102Q97.7Very high95.2Very high104 Ų10476 Ų7649%0.48639%0.391SS..EExtended strand (participates in β ladder)trans-77.7108.7169.7-173-172.913.700109.2D78 I79 V84D78-Q102 CarbonylContact O-C 3.54Å; D78-Q102 VanDerWaalsContact O-CA 3.28Å; D78-Q102 WeakPolarHBondContact O-CA 3.43Å; I79-Q102 PolarHBondContact O-NE2 3.34Å; V84-Q102 HydrophobicContact CG2-CB 4.44Å
103V97.4Very high95.5Very high19 Ų1975.5 Ų75.512%0.11539%0.387CS..  trans-147.6136.7-176.6175.90000110I77 D78 H101 A105 T108 P109I77-V103 HydrophobicContact CB-CB 3.97Å; I77-V103 HydrophobicContact CD1-CB 4.43Å; I77-V103 HydrophobicContact CD1-CG1 4.23Å; I77-V103 HydrophobicContact CG2-CB 3.9Å; I77-V103 HydrophobicContact CG2-CG1 4.46Å; I77-V103 HydrophobicContact CG2-CG2 3.97Å; D78-V103 CarbonylContact C-O 3.58Å; D78-V103 PolarHBondContact O-N 3Å; H101-V103 HydrophobicContact CB-CG2 3.95Å; H101-V103 PolarHBondContact O-N 3.06Å; V103-A105 PolarHBondContact O-N 3.41Å; V103-T108 HydrophobicContact CG1-CG2 4.21Å; V103-P109 HydrophobicContact CG2-CG 4.48Å
104D96.1Very high95.8Very high69 Ų6968 Ų6837%0.36936%0.355SS..  trans-74.8118.1167.5-172.1-26.7000110.1I79 T106 Q107I79-D104 HydrophobicContact CD1-CB 3.83Å; D104-T106 VanDerWaalsContact CG-OG1 3.26Å; D104-T106 PolarHBondContact O-N 3.13Å; D104-T106 WeakPolarHBondContact OD1-CB 3.43Å; D104-T106 WeakPolarHBondContact OD1-CG2 3.22Å; D104-T106 PolarHBondContact OD1-N 3.09Å; D104-T106 PolarHBondContact OD1-OG1 3.43Å; D104-T106 PolarHBondContact OD2-OG1 2.74Å; D104-Q107 CarbonylContact O-C 3.57Å; D104-Q107 PolarHBondContact O-N 2.8Å; D104-Q107 VanDerWaalsContact O-N 3.14Å; D104-Q107 VanDerWaalsContact O-O 3.12Å
105A96.4Very high96Very high8 Ų860.2 Ų60.27%0.06633%0.326CS..THydrogen-bonded Turntrans-67.7-14.9-178.200000114V55 I77 V103 Q107 M127 M139V55-A105 HydrophobicContact CG1-CB 3.5Å; I77-A105 HydrophobicContact CD1-CB 4.12Å; V103-A105 PolarHBondContact O-N 3.41Å; A105-Q107 VanDerWaalsContact C-N 3.31Å; A105-M127 HydrophobicContact CB-CE 4.16Å; A105-M139 HydrophobicContact CB-CG 3.84Å; A105-M139 HydrophobicContact CB-SD 4.38Å
106T96.1Very high96.2Very high26 Ų2661.1 Ų61.116%0.1633%0.331CS..THydrogen-bonded Turntrans-79.3-16.2174.969.80000113D104 M127 L135 R138 M139D104-T106 VanDerWaalsContact CG-OG1 3.26Å; D104-T106 PolarHBondContact O-N 3.13Å; D104-T106 WeakPolarHBondContact OD1-CB 3.43Å; D104-T106 WeakPolarHBondContact OD1-CG2 3.22Å; D104-T106 PolarHBondContact OD1-N 3.09Å; D104-T106 PolarHBondContact OD1-OG1 3.43Å; D104-T106 PolarHBondContact OD2-OG1 2.74Å; T106-M127 HydrophobicContact CG2-CE 4.31Å; T106-M127 HydrophobicContact CG2-SD 4.29Å; T106-L135 HydrophobicContact CG2-CD2 3.91Å; T106-R138 HydrophobicContact CG2-CB 4.15Å; T106-M139 HydrophobicContact CG2-CB 4.32Å
107Q96.4Very high96.6Very high157 Ų15756.9 Ų56.973%0.73430%0.304SS*.SBendtrans-15491.1177.1-172179.62.900110.4D104 A105D104-Q107 CarbonylContact O-C 3.57Å; D104-Q107 PolarHBondContact O-N 2.8Å; D104-Q107 VanDerWaalsContact O-N 3.14Å; D104-Q107 VanDerWaalsContact O-O 3.12Å; A105-Q107 VanDerWaalsContact C-N 3.31Å
108T96.9Very high97.1Very high13 Ų1351.7 Ų51.78%0.0828%0.276CS..  trans-87.7152.4-177.372.60000111.8I77 V103 Y110 E142 R145 V146I77-T108 HydrophobicContact CD1-CG2 4.17Å; V103-T108 HydrophobicContact CG1-CG2 4.21Å; T108-Y110 HydrophobicContact CG2-CD2 4.27Å; T108-Y110 HydrophobicContact CG2-CE2 4.49Å; T108-Y110 PolarHBondContact O-N 3.17Å; T108-E142 WeakPolarHBondContact CA-OE1 3.35Å; T108-E142 WeakPolarHBondContact CB-OE1 3.48Å; T108-E142 HydrophobicContact CG2-CG 3.9Å; T108-E142 PolarHBondContact N-OE1 2.75Å; T108-E142 PolarHBondContact OG1-OE1 2.77Å; T108-R145 PolarHBondContact O-NH2 3.49Å; T108-R145 PolarHBondContact OG1-NH2 3.4Å; T108-V146 WeakPolarHBondContact OG1-CG1 3.46Å
109P97.2Very high97.3Very high103 Ų10351.4 Ų51.467%0.66927%0.274SS*.SBendtrans-80.53.5178.434.3-37000113.5V103V103-P109 HydrophobicContact CG2-CG 4.48Å
110Y97.8Very high97.6Very high45 Ų4548.9 Ų48.918%0.17626%0.259CS..SBendtrans-84.2151.2-171.4-52.4-61.1000112.2L53 T75 I77 T108 F115 R145L53-Y110 HydrophobicContact CD1-CD2 4.31Å; L53-Y110 HydrophobicContact CD1-CE2 3.75Å; T75-Y110 HydrophobicContact CG2-CE1 4.21Å; T75-Y110 VanDerWaalsContact CG2-OH 3.26Å; T75-Y110 WeakPolarHBondContact CG2-OH 3.39Å; I77-Y110 HydrophobicContact CG2-CE2 4.13Å; I77-Y110 VanDerWaalsContact CG2-OH 3.31Å; I77-Y110 WeakPolarHBondContact CG2-OH 3.38Å; T108-Y110 HydrophobicContact CG2-CD2 4.27Å; T108-Y110 HydrophobicContact CG2-CE2 4.49Å; T108-Y110 PolarHBondContact O-N 3.17Å; Y110-F115 HydrophobicContact CD1-CE2 4.23Å; Y110-F115 HydrophobicContact CD1-CZ 4.3Å; Y110-F115 AromaticContact CD2-CE2 3.81Å; Y110-F115 HydrophobicContact CD2-CE2 3.81Å; Y110-F115 HydrophobicContact CD2-CZ 4.23Å; Y110-F115 HydrophobicContact CE2-CE2 4.47Å; Y110-F115 HydrophobicContact CE2-CZ 4.47Å; Y110-F115 AromaticContact CG-CE2 3.69Å; Y110-F115 HydrophobicContact CG-CE2 3.69Å; Y110-F115 HydrophobicContact CG-CZ 4.15Å; Y110-R145 VanDerWaalsContact O-CZ 3.27Å; Y110-R145 PolarHBondContact O-NH1 2.77Å; Y110-R145 PolarHBondContact O-NH2 3.49Å
111E98.2Very high97.5Very high161 Ų16149.8 Ų49.875%0.75226%0.263SS*.PPolyproline II helixtrans-68.2154.6177.1-63.5-178.8167.500112.1S114E111-S114 VanDerWaalsContact O-CB 3.28Å; E111-S114 WeakPolarHBondContact O-CB 3.43Å; E111-S114 PolarHBondContact O-N 3.27Å; E111-S114 PolarHBondContact O-OG 3Å
112D98.4Very high97.2Very high110 Ų11046.3 Ų46.359%0.58825%0.248SC*.THydrogen-bonded Turntrans-53.8140.6172.1-71.218.1000110.8S114 R145D112-S114 PolarHBondContact O-N 2.89Å; D112-S114 VanDerWaalsContact O-N 3.09Å; D112-R145 VanDerWaalsContact OD1-CD 3.29Å; D112-R145 WeakPolarHBondContact OD1-CD 3.44Å; D112-R145 WeakPolarHBondContact OD1-CG 3.33Å; D112-R145 IonicContact OD1-CZ 2.8Å; D112-R145 IonicContact OD1-NE 2.77Å; D112-R145 IonicContact OD1-NH1 3.56Å; D112-R145 PolarHBondContact OD1-NH1 3.45Å
113A98.1Very high97.1Very high51 Ų5142.3 Ų42.342%0.42123%0.231SC..THydrogen-bonded Turntrans54.926.5175.800000115.9R145 V146 K148A113-R145 PolarHBondContact N-O 2.97Å; A113-V146 CarbonylContact C-O 3.45Å; A113-V146 VanDerWaalsContact C-O 3.26Å; A113-V146 VanDerWaalsContact CA-O 3.24Å; A113-V146 WeakPolarHBondContact CA-O 3.43Å; A113-V146 PolarHBondContact N-O 3.48Å; A113-K148 HydrophobicContact CB-CB 4.04Å
114S97.9Very high97Very high33 Ų3341.4 Ų41.423%0.23123%0.226CC..  trans-78.1-23.2-179.752.40000114.4E111 D112 V146E111-S114 VanDerWaalsContact O-CB 3.28Å; E111-S114 WeakPolarHBondContact O-CB 3.43Å; E111-S114 PolarHBondContact O-N 3.27Å; E111-S114 PolarHBondContact O-OG 3Å; D112-S114 PolarHBondContact O-N 2.89Å; D112-S114 VanDerWaalsContact O-N 3.09Å; S114-V146 PolarHBondContact N-O 3.29Å
115F98.5Very high96.8Very high12 Ų1238.3 Ų38.35%0.05321%0.209CC..EExtended strand (participates in β ladder)trans-110.7153.5-176.3-67.5-86.3000113.9K51 L53 T75 Y110 V146 L147 K148K51-F115 HydrophobicContact CB-CD1 4.08Å; L53-F115 HydrophobicContact CB-CD1 3.75Å; L53-F115 HydrophobicContact CB-CD2 4.19Å; L53-F115 HydrophobicContact CB-CE1 3.87Å; L53-F115 HydrophobicContact CB-CE2 4.29Å; L53-F115 HydrophobicContact CB-CG 3.91Å; L53-F115 HydrophobicContact CB-CZ 4.14Å; L53-F115 HydrophobicContact CD1-CE1 4.5Å; L53-F115 HydrophobicContact CD1-CE2 4.46Å; L53-F115 HydrophobicContact CD1-CZ 4.14Å; L53-F115 HydrophobicContact CD2-CE2 4.49Å; T75-F115 HydrophobicContact CG2-CZ 4.35Å; Y110-F115 HydrophobicContact CD1-CE2 4.23Å; Y110-F115 HydrophobicContact CD1-CZ 4.3Å; Y110-F115 AromaticContact CD2-CE2 3.81Å; Y110-F115 HydrophobicContact CD2-CE2 3.81Å; Y110-F115 HydrophobicContact CD2-CZ 4.23Å; Y110-F115 HydrophobicContact CE2-CE2 4.47Å; Y110-F115 HydrophobicContact CE2-CZ 4.47Å; Y110-F115 AromaticContact CG-CE2 3.69Å; Y110-F115 HydrophobicContact CG-CE2 3.69Å; Y110-F115 HydrophobicContact CG-CZ 4.15Å; F115-V146 HydrophobicContact CD2-CB 4.05Å; F115-V146 HydrophobicContact CD2-CG2 4.15Å; F115-V146 PolarHBondContact N-O 3.36Å; F115-L147 HydrophobicContact CB-CD2 4.36Å; F115-K148 WeakPolarHBondContact O-CG 3.43Å; F115-K148 PolarHBondContact O-N 3.4Å
116Q98.6Very high96.5Very high31 Ų3138.3 Ų38.315%0.14521%0.209CC..EExtended strand (participates in β ladder)trans-96.9-34.2176.6-78.274.884.700112.1D50 K51 K148 G151 R152D50-Q116 HydrophobicContact CB-CB 3.61Å; D50-Q116 HydrophobicContact CB-CG 4.34Å; K51-Q116 VanDerWaalsContact CB-OE1 3.29Å; K51-Q116 PolarHBondContact O-N 2.81Å; Q116-K148 HydrophobicContact CG-CD 4Å; Q116-K148 VanDerWaalsContact CG-NZ 3.28Å; Q116-G151 CarbonylContact O-C 3.47Å; Q116-G151 WeakPolarHBondContact O-CA 3.08Å; Q116-R152 PolarHBondContact O-N 3.33Å; Q116-R152 VanDerWaalsContact O-N 3.09Å
117A98.6Very high96.2Very high0 Ų038.5 Ų38.50%021%0.209CC..EExtended strand (participates in β ladder)trans-139.2151.117500000110.2I46 K51 V52 L53 R152I46-A117 HydrophobicContact CG1-CB 4.16Å; I46-A117 HydrophobicContact CG2-CB 4.07Å; K51-A117 PolarHBondContact O-N 3.31Å; V52-A117 WeakPolarHBondContact CA-O 3.45Å; V52-A117 HydrophobicContact CG1-CB 4.23Å; V52-A117 HydrophobicContact CG2-CB 4.35Å; L53-A117 PolarHBondContact N-O 2.98Å; A117-R152 CarbonylContact C-O 3.59Å; A117-R152 VanDerWaalsContact CA-O 3.23Å; A117-R152 WeakPolarHBondContact CA-O 3.43Å
118A98.6Very high95.8Very high0 Ų031.7 Ų31.70%018%0.179CC..EExtended strand (participates in β ladder)trans-122.4126.1167.100000107.4L53 V143 L147 R152 Y153 V154L53-A118 CarbonylContact O-C 3.47Å; L53-A118 VanDerWaalsContact O-CA 3.23Å; L53-A118 WeakPolarHBondContact O-CA 3.36Å; A118-V143 HydrophobicContact CB-CG1 3.54Å; A118-L147 HydrophobicContact CB-CD1 4.18Å; A118-L147 HydrophobicContact CB-CD2 4.21Å; A118-L147 HydrophobicContact CB-CG 4.32Å; A118-R152 PolarHBondContact N-O 3.21Å; A118-Y153 HydrophobicContact CB-CD2 4.04Å; A118-V154 PolarHBondContact O-N 3.13Å
119L98.6Very high94.9Very high1 Ų132.5 Ų32.51%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-109.1127.3-180178.860.4000109L42 I46 V52 L53 V54 V55 L62 L66 V154L42-L119 HydrophobicContact CD2-CD1 3.62Å; I46-L119 HydrophobicContact CD1-CB 4.34Å; I46-L119 HydrophobicContact CD1-CD1 4.25Å; I46-L119 HydrophobicContact CD1-CD2 4.46Å; V52-L119 HydrophobicContact CG1-CB 4.11Å; L53-L119 PolarHBondContact O-N 3.47Å; V54-L119 CarbonylContact C-O 3.56Å; V54-L119 WeakPolarHBondContact CA-O 3.43Å; V54-L119 HydrophobicContact CG2-CB 4.37Å; V54-L119 HydrophobicContact CG2-CD2 4.39Å; V55-L119 PolarHBondContact N-O 3.12Å; L62-L119 HydrophobicContact CD2-CD2 3.95Å; L62-L119 HydrophobicContact CG-CD2 4.47Å; L66-L119 HydrophobicContact CD1-CD2 3.75Å; L119-V154 WeakPolarHBondContact CA-O 3.44Å; L119-V154 HydrophobicContact CD1-CB 4.34Å; L119-V154 HydrophobicContact CD1-CG1 4.19Å
120D97.6Very high93.9Very high0 Ų031.2 Ų31.20%017%0.17CC..EExtended strand (participates in β ladder)trans-129.6133.2178.4177.1-19.2000108.3G122 T123 L124 M139 Y153 V154 C155 V156D120-G122 PolarHBondContact OD1-N 2.78Å; D120-T123 WeakPolarHBondContact OD1-CA 3.43Å; D120-T123 VanDerWaalsContact OD1-CB 3.29Å; D120-T123 WeakPolarHBondContact OD1-CB 3.46Å; D120-T123 PolarHBondContact OD1-N 3.09Å; D120-L124 PolarHBondContact OD1-N 3.03Å; D120-L124 WeakPolarHBondContact OD2-CB 3.36Å; D120-L124 PolarHBondContact OD2-N 3.19Å; D120-M139 WeakPolarHBondContact OD2-CE 3.48Å; D120-Y153 HydrophobicContact CB-CE2 3.62Å; D120-Y153 PolarHBondContact OD2-OH 3.37Å; D120-V154 PolarHBondContact N-O 3.11Å; D120-C155 HydrophobicContact CB-CB 4.23Å; D120-C155 CarbonylContact O-C 3.13Å; D120-C155 VanDerWaalsContact O-CA 3.3Å; D120-C155 WeakPolarHBondContact O-CA 3.28Å; D120-V156 PolarHBondContact O-N 2.92Å
121K95.5Very high92.5Very high24 Ų2437.3 Ų37.310%0.10420%0.2CC..EExtended strand (participates in β ladder)trans-131.591.7175.3-175.416270.484.80109.9E30 W31 L38 S60 L62 T123 V156E30-K121 IonicContact OE2-NZ 3.11Å; E30-K121 PolarHBondContact OE2-NZ 3.17Å; W31-K121 WeakPolarHBondContact O-CD 3.35Å; W31-K121 PolarHBondContact O-NZ 2.93Å; L38-K121 HydrophobicContact CD1-CD 3.72Å; S60-K121 WeakPolarHBondContact OG-CE 3.45Å; S60-K121 PolarHBondContact OG-NZ 2.88Å; S60-K121 VanDerWaalsContact OG-NZ 3.16Å; L62-K121 HydrophobicContact CD2-CD 3.83Å; L62-K121 VanDerWaalsContact CD2-CE 3.5Å; K121-T123 VanDerWaalsContact C-N 3.27Å; K121-T123 PolarHBondContact O-N 3.12Å; K121-V156 HydrophobicContact CB-CB 4.22Å; K121-V156 HydrophobicContact CD-CB 4.41Å; K121-V156 HydrophobicContact CD-CG1 4.45Å; K121-V156 HydrophobicContact CG-CB 3.94Å; K121-V156 HydrophobicContact CG-CG1 4.21Å
122G91.5Very high91.5Very high6 Ų638.1 Ų38.16%0.06220%0.204CC..SBendtrans74.65179.100000116.5Y32 D120 A126 V156Y32-G122 VanDerWaalsContact CE2-CA 3.44Å; D120-G122 PolarHBondContact OD1-N 2.78Å; G122-A126 WeakPolarHBondContact O-CB 3.49Å; G122-A126 PolarHBondContact O-N 3.4Å; G122-A126 VanDerWaalsContact O-N 3.1Å; G122-V156 PolarHBondContact N-O 2.93Å
123T94.7Very high90.9Very high19 Ų1933.1 Ų33.112%0.11718%0.178CC..Hα-helixtrans-72.3-40.5172.6-47.90000110.6V55 G56 D120 K121 D125 A126 M127 M139V55-T123 HydrophobicContact CG1-CG2 4.18Å; V55-T123 PolarHBondContact O-OG1 2.87Å; V55-T123 VanDerWaalsContact O-OG1 3.1Å; G56-T123 VanDerWaalsContact CA-OG1 3.32Å; G56-T123 WeakPolarHBondContact CA-OG1 3.22Å; G56-T123 PolarHBondContact O-OG1 3.43Å; D120-T123 WeakPolarHBondContact OD1-CA 3.43Å; D120-T123 VanDerWaalsContact OD1-CB 3.29Å; D120-T123 WeakPolarHBondContact OD1-CB 3.46Å; D120-T123 PolarHBondContact OD1-N 3.09Å; K121-T123 VanDerWaalsContact C-N 3.27Å; K121-T123 PolarHBondContact O-N 3.12Å; T123-D125 VanDerWaalsContact C-N 3.32Å; T123-D125 PolarHBondContact O-N 3.12Å; T123-A126 PolarHBondContact O-N 3.25Å; T123-M127 HydrophobicContact CG2-CE 4.26Å; T123-M127 WeakPolarHBondContact O-CG 3.36Å; T123-M127 PolarHBondContact O-N 2.93Å; T123-M139 HydrophobicContact CG2-SD 3.99Å
124L95.3Very high90.5Very high1 Ų132.4 Ų32.41%0.00517%0.172CC..Hα-helixtrans-58-44.6172.3-177.264.2000112D120 A126 M127 A128 A136 M139 I140 V163 A167D120-L124 PolarHBondContact OD1-N 3.03Å; D120-L124 WeakPolarHBondContact OD2-CB 3.36Å; D120-L124 PolarHBondContact OD2-N 3.19Å; L124-A126 VanDerWaalsContact C-N 3.31Å; L124-A126 PolarHBondContact O-N 3.1Å; L124-M127 PolarHBondContact O-N 2.82Å; L124-A128 WeakPolarHBondContact O-CB 3.05Å; L124-A128 PolarHBondContact O-N 2.79Å; L124-A136 HydrophobicContact CD1-CB 3.91Å; L124-M139 HydrophobicContact CB-CE 4.06Å; L124-M139 HydrophobicContact CD1-CE 3.78Å; L124-I140 HydrophobicContact CD1-CG2 3.68Å; L124-V163 HydrophobicContact CD2-CG1 3.97Å; L124-V163 HydrophobicContact CG-CG1 3.8Å; L124-A167 HydrophobicContact CD2-CB 3.97Å
125D91.5Very high90.2Very high3 Ų332.6 Ų32.62%0.01617%0.171CC..Hα-helixtrans-60.9-41.5177.4-65.3-70.4000111.5F11 Y32 T123 S129 T157F11-D125 HydrophobicContact CE1-CB 4.23Å; F11-D125 HydrophobicContact CZ-CB 4.48Å; Y32-D125 HydrophobicContact CE2-CB 4.49Å; Y32-D125 VanDerWaalsContact CE2-OD2 3.25Å; Y32-D125 WeakPolarHBondContact CE2-OD2 3.49Å; T123-D125 VanDerWaalsContact C-N 3.32Å; T123-D125 PolarHBondContact O-N 3.12Å; D125-S129 PolarHBondContact O-N 3.19Å; D125-T157 VanDerWaalsContact CG-OG1 3.24Å; D125-T157 PolarHBondContact OD1-OG1 2.91Å; D125-T157 VanDerWaalsContact OD2-CA 3.25Å; D125-T157 WeakPolarHBondContact OD2-CA 3.42Å; D125-T157 VanDerWaalsContact OD2-CB 3.25Å; D125-T157 WeakPolarHBondContact OD2-CB 3.49Å; D125-T157 PolarHBondContact OD2-OG1 3.49Å
126A89.6Confident90Very high9 Ų932 Ų327%0.07417%0.168CC..Hα-helixtrans-66.3-38.8176.500000113.1F11 S12 G122 T123 L124 S129F11-A126 HydrophobicContact CD1-CB 4.27Å; F11-A126 HydrophobicContact CD2-CB 3.81Å; F11-A126 HydrophobicContact CE1-CB 4.11Å; F11-A126 HydrophobicContact CE2-CB 3.66Å; F11-A126 HydrophobicContact CG-CB 4.12Å; F11-A126 HydrophobicContact CZ-CB 3.79Å; S12-A126 VanDerWaalsContact CA-O 3.27Å; S12-A126 WeakPolarHBondContact CA-O 3.32Å; S12-A126 VanDerWaalsContact CB-O 3.26Å; S12-A126 WeakPolarHBondContact CB-O 3.33Å; G122-A126 WeakPolarHBondContact O-CB 3.49Å; G122-A126 PolarHBondContact O-N 3.4Å; G122-A126 VanDerWaalsContact O-N 3.1Å; T123-A126 PolarHBondContact O-N 3.25Å; L124-A126 VanDerWaalsContact C-N 3.31Å; L124-A126 PolarHBondContact O-N 3.1Å; A126-S129 PolarHBondContact O-OG 2.81Å
127M90.4Very high89.9Confident30 Ų3035.6 Ų35.615%0.14818%0.18CC..Hα-helixtrans-80.6-25.5179.8-70.1-164.1172.100113.3A105 T106 T123 L124 S129 L135 A136 M139A105-M127 HydrophobicContact CB-CE 4.16Å; T106-M127 HydrophobicContact CG2-CE 4.31Å; T106-M127 HydrophobicContact CG2-SD 4.29Å; T123-M127 HydrophobicContact CG2-CE 4.26Å; T123-M127 WeakPolarHBondContact O-CG 3.36Å; T123-M127 PolarHBondContact O-N 2.93Å; L124-M127 PolarHBondContact O-N 2.82Å; M127-S129 VanDerWaalsContact C-N 3.27Å; M127-L135 HydrophobicContact CB-CB 4.28Å; M127-A136 HydrophobicContact CB-CB 3.99Å; M127-M139 HydrophobicContact CE-SD 4.23Å; M127-M139 HydrophobicContact SD-CB 3.59Å; M127-M139 VanDerWaalsContact SD-CB 3.59Å; M127-M139 HydrophobicContact SD-CG 3.84Å; M127-M139 HydrophobicContact SD-SD 3.48Å
128A88.1Confident89.7Confident13 Ų1341.1 Ų41.111%0.10720%0.201CC..THydrogen-bonded Turntrans-82.9-4.3179.600000112.9L124 E130 A136 V163L124-A128 WeakPolarHBondContact O-CB 3.05Å; L124-A128 PolarHBondContact O-N 2.79Å; A128-E130 VanDerWaalsContact C-N 3.32Å; A128-A136 HydrophobicContact CB-CB 3.87Å; A128-V163 HydrophobicContact CB-CB 4.22Å; A128-V163 HydrophobicContact CB-CG1 4.03Å; A128-V163 HydrophobicContact CB-CG2 3.78Å
129S78.6Confident89.7Confident31 Ų3141.1 Ų41.122%0.21720%0.201CC..THydrogen-bonded Turntrans-77.3-16.3175.869.30000113.2A8 D125 A126 M127A8-S129 WeakPolarHBondContact CB-O 3.36Å; A8-S129 PolarHBondContact O-OG 2.89Å; D125-S129 PolarHBondContact O-N 3.19Å; A126-S129 PolarHBondContact O-OG 2.81Å; M127-S129 VanDerWaalsContact C-N 3.27Å
130E77Confident89.6Confident75 Ų7541.1 Ų41.135%0.3520%0.201SC..SBendtrans-68.6149.3171.5-168-171.5-15800111.3A128 E132 G133 L135A128-E130 VanDerWaalsContact C-N 3.32Å; E130-E132 PolarHBondContact O-N 3.2Å; E130-G133 PolarHBondContact O-N 3.19Å; E130-L135 WeakPolarHBondContact OE2-CB 3.38Å; E130-L135 WeakPolarHBondContact OE2-CD1 3.43Å; E130-L135 WeakPolarHBondContact OE2-CG 3.2Å
131E68.4Low89.6Confident173 Ų17344.4 Ų44.481%0.80822%0.221SC*.G310 helixtrans-51128.3175.6-157.7172.5-171.300110.8G133E131-G133 PolarHBondContact O-N 3.16Å
132E75.9Confident89.8Confident179 Ų17944.3 Ų44.384%0.83622%0.221SC*.G310 helixtrans64.3-2.5-176-51.7-176.2171.400117.3E130 A134E130-E132 PolarHBondContact O-N 3.2Å; E132-A134 VanDerWaalsContact C-N 3.32Å; E132-A134 PolarHBondContact O-N 3.49Å
133G86.4Confident90.1Very high4 Ų444.1 Ų44.14%0.04122%0.219CC..G310 helixtrans64.630.7175.500000114.3E130 E131 L135 A136 R137 L166E130-G133 PolarHBondContact O-N 3.19Å; E131-G133 PolarHBondContact O-N 3.16Å; G133-L135 PolarHBondContact O-N 2.67Å; G133-A136 PolarHBondContact O-N 3.34Å; G133-R137 PolarHBondContact O-N 3.37Å; G133-L166 WeakPolarHBondContact O-CD1 3.37Å
134A90.3Very high90.2Very high36 Ų3643.6 Ų43.630%0.29822%0.217SC..Hα-helixtrans-62.1-43.1-175.400000112.7E132 R137 R138E132-A134 VanDerWaalsContact C-N 3.32Å; E132-A134 PolarHBondContact O-N 3.49Å; A134-R137 PolarHBondContact O-N 2.9Å; A134-R138 WeakPolarHBondContact O-CG 3.46Å; A134-R138 PolarHBondContact O-N 2.81Å
135L91.2Very high90.4Very high38 Ų3846.8 Ų46.820%0.19923%0.229CC..Hα-helixtrans-59.5-48.2173.8-79.6170.4000111.9T106 M127 E130 G133 R137 R138 M139T106-L135 HydrophobicContact CG2-CD2 3.91Å; M127-L135 HydrophobicContact CB-CB 4.28Å; E130-L135 WeakPolarHBondContact OE2-CB 3.38Å; E130-L135 WeakPolarHBondContact OE2-CD1 3.43Å; E130-L135 WeakPolarHBondContact OE2-CG 3.2Å; G133-L135 PolarHBondContact O-N 2.67Å; L135-R137 VanDerWaalsContact C-N 3.29Å; L135-R137 PolarHBondContact O-N 3.14Å; L135-R138 VanDerWaalsContact CG-NH2 3.33Å; L135-R138 PolarHBondContact O-N 2.92Å; L135-R138 VanDerWaalsContact O-N 3.14Å; L135-M139 PolarHBondContact O-N 2.82Å
136A94.4Very high90.7Very high0 Ų046.7 Ų46.70%023%0.229CC..Hα-helixtrans-56.8-43.7177.400000111.9L124 M127 A128 G133 R138 M139 I140 L166L124-A136 HydrophobicContact CD1-CB 3.91Å; M127-A136 HydrophobicContact CB-CB 3.99Å; A128-A136 HydrophobicContact CB-CB 3.87Å; G133-A136 PolarHBondContact O-N 3.34Å; A136-R138 PolarHBondContact O-N 3.27Å; A136-M139 PolarHBondContact O-N 2.95Å; A136-I140 WeakPolarHBondContact O-CG1 3.38Å; A136-I140 PolarHBondContact O-N 3.37Å; A136-L166 HydrophobicContact CB-CD1 4.31Å; A136-L166 HydrophobicContact CB-CD2 4.15Å
137R95.3Very high91.1Very high105 Ų10546.3 Ų46.340%0.39623%0.225SC..Hα-helixtrans-63.2-41.1177.6-165.4178.8-57.7-79.8-4.9112.3G133 A134 L135 I140 T141G133-R137 PolarHBondContact O-N 3.37Å; A134-R137 PolarHBondContact O-N 2.9Å; L135-R137 VanDerWaalsContact C-N 3.29Å; L135-R137 PolarHBondContact O-N 3.14Å; R137-I140 WeakPolarHBondContact O-CG1 3.25Å; R137-T141 WeakPolarHBondContact O-CB 3.46Å; R137-T141 PolarHBondContact O-N 2.77Å; R137-T141 VanDerWaalsContact O-N 3.09Å; R137-T141 PolarHBondContact O-OG1 3.46Å
138R96Very high91.5Very high117 Ų11748.9 Ų48.944%0.44224%0.236SC..Hα-helixtrans-62.7-47.7174.9-72.1-170.4-69.9-87.75.7111.1T106 A134 L135 A136 T141 E142T106-R138 HydrophobicContact CG2-CB 4.15Å; A134-R138 WeakPolarHBondContact O-CG 3.46Å; A134-R138 PolarHBondContact O-N 2.81Å; L135-R138 VanDerWaalsContact CG-NH2 3.33Å; L135-R138 PolarHBondContact O-N 2.92Å; L135-R138 VanDerWaalsContact O-N 3.14Å; A136-R138 PolarHBondContact O-N 3.27Å; R138-T141 WeakPolarHBondContact O-CB 3.5Å; R138-T141 PolarHBondContact O-N 2.82Å; R138-E142 WeakPolarHBondContact O-CB 3.49Å; R138-E142 PolarHBondContact O-N 2.86Å
139M97.2Very high91.9Very high0 Ų051.7 Ų51.70%025%0.251CS..Hα-helixtrans-58.2-51.9178.4-174.4-160.173.500112.4V55 A105 T106 D120 T123 L124 M127 L135 A136 T141 E142 V143V55-M139 HydrophobicContact CG1-CG 4.39Å; V55-M139 HydrophobicContact CG1-SD 3.88Å; A105-M139 HydrophobicContact CB-CG 3.84Å; A105-M139 HydrophobicContact CB-SD 4.38Å; T106-M139 HydrophobicContact CG2-CB 4.32Å; D120-M139 WeakPolarHBondContact OD2-CE 3.48Å; T123-M139 HydrophobicContact CG2-SD 3.99Å; L124-M139 HydrophobicContact CB-CE 4.06Å; L124-M139 HydrophobicContact CD1-CE 3.78Å; M127-M139 HydrophobicContact CE-SD 4.23Å; M127-M139 HydrophobicContact SD-CB 3.59Å; M127-M139 VanDerWaalsContact SD-CB 3.59Å; M127-M139 HydrophobicContact SD-CG 3.84Å; M127-M139 HydrophobicContact SD-SD 3.48Å; L135-M139 PolarHBondContact O-N 2.82Å; A136-M139 PolarHBondContact O-N 2.95Å; M139-T141 VanDerWaalsContact C-N 3.28Å; M139-T141 PolarHBondContact O-N 3.28Å; M139-E142 PolarHBondContact O-N 2.75Å; M139-E142 VanDerWaalsContact O-N 3.16Å; M139-V143 WeakPolarHBondContact O-CG2 3.22Å; M139-V143 PolarHBondContact O-N 3.47Å
140I97.6Very high92.8Very high0 Ų051.7 Ų51.70%026%0.257CS..Hα-helixtrans-68.8-28.3-178.465.2-174.7000112.6L124 A136 R137 G144 Y153 L166 H170 F171L124-I140 HydrophobicContact CD1-CG2 3.68Å; A136-I140 WeakPolarHBondContact O-CG1 3.38Å; A136-I140 PolarHBondContact O-N 3.37Å; R137-I140 WeakPolarHBondContact O-CG1 3.25Å; I140-G144 PolarHBondContact O-N 2.96Å; I140-Y153 HydrophobicContact CG2-CE1 4.34Å; I140-L166 HydrophobicContact CD1-CD2 3.63Å; I140-H170 HydrophobicContact CD1-CB 3.64Å; I140-H170 VanDerWaalsContact CD1-CD2 3.48Å; I140-H170 WeakPolarHBondContact CD1-CD2 3.45Å; I140-H170 VanDerWaalsContact CD1-CG 3.42Å; I140-F171 HydrophobicContact CB-CE2 4.32Å; I140-F171 HydrophobicContact CB-CZ 3.95Å; I140-F171 HydrophobicContact CG2-CE2 4.45Å; I140-F171 HydrophobicContact CG2-CZ 4.38Å
141T97.8Very high93.8Very high70 Ų7048.2 Ų48.243%0.42924%0.241SC..Hα-helixtrans-65.2-44.7171.4-58.80000110.5R137 R138 M139 G144 R145 H170R137-T141 WeakPolarHBondContact O-CB 3.46Å; R137-T141 PolarHBondContact O-N 2.77Å; R137-T141 VanDerWaalsContact O-N 3.09Å; R137-T141 PolarHBondContact O-OG1 3.46Å; R138-T141 WeakPolarHBondContact O-CB 3.5Å; R138-T141 PolarHBondContact O-N 2.82Å; M139-T141 VanDerWaalsContact C-N 3.28Å; M139-T141 PolarHBondContact O-N 3.28Å; T141-G144 CarbonylContact O-C 3.57Å; T141-G144 WeakPolarHBondContact O-CA 3.48Å; T141-G144 PolarHBondContact O-N 3.3Å; T141-G144 VanDerWaalsContact O-N 3.12Å; T141-R145 PolarHBondContact O-N 3.4Å; T141-H170 PolarHBondContact OG1-CE1 3.28Å
142E98.4Very high95.2Very high22 Ų2243 Ų4310%0.10321%0.214CC..Hα-helixtrans-67.5-42.5179.6178.160.8-177.400112.2T108 R138 M139 G144 R145 V146T108-E142 WeakPolarHBondContact CA-OE1 3.35Å; T108-E142 WeakPolarHBondContact CB-OE1 3.48Å; T108-E142 HydrophobicContact CG2-CG 3.9Å; T108-E142 PolarHBondContact N-OE1 2.75Å; T108-E142 PolarHBondContact OG1-OE1 2.77Å; R138-E142 WeakPolarHBondContact O-CB 3.49Å; R138-E142 PolarHBondContact O-N 2.86Å; M139-E142 PolarHBondContact O-N 2.75Å; M139-E142 VanDerWaalsContact O-N 3.16Å; E142-G144 PolarHBondContact O-N 3.21Å; E142-R145 WeakPolarHBondContact O-CB 3.48Å; E142-R145 PolarHBondContact O-N 2.86Å; E142-R145 IonicContact OE1-CZ 2.66Å; E142-R145 IonicContact OE1-NE 2.86Å; E142-R145 PolarHBondContact OE1-NE 2.83Å; E142-R145 IonicContact OE1-NH2 3.57Å; E142-R145 PolarHBondContact OE1-NH2 2.91Å; E142-R145 IonicContact OE2-CZ 2.91Å; E142-R145 IonicContact OE2-NE 3.57Å; E142-R145 PolarHBondContact OE2-NE 3.07Å; E142-R145 IonicContact OE2-NH2 3.92Å; E142-V146 PolarHBondContact O-N 2.7Å; E142-V146 VanDerWaalsContact O-N 3.16Å
143V98.1Very high96.3Very high2 Ų234.5 Ų34.51%0.01217%0.174CC..Hα-helixtrans-56.5-42.2168168.30000110.7V55 A118 M139 R145 V146 L147 Y153V55-V143 HydrophobicContact CG2-CG2 4.09Å; A118-V143 HydrophobicContact CB-CG1 3.54Å; M139-V143 WeakPolarHBondContact O-CG2 3.22Å; M139-V143 PolarHBondContact O-N 3.47Å; V143-R145 VanDerWaalsContact C-N 3.31Å; V143-R145 PolarHBondContact O-N 3.25Å; V143-V146 WeakPolarHBondContact O-CG2 3.38Å; V143-V146 PolarHBondContact O-N 3.21Å; V143-L147 HydrophobicContact CG1-CD1 3.74Å; V143-L147 HydrophobicContact CG1-CG 4.32Å; V143-L147 WeakPolarHBondContact O-CB 3.43Å; V143-L147 VanDerWaalsContact O-CG 3.29Å; V143-L147 WeakPolarHBondContact O-CG 3.35Å; V143-L147 PolarHBondContact O-N 2.81Å; V143-L147 VanDerWaalsContact O-N 3.11Å; V143-Y153 HydrophobicContact CG1-CD2 3.64Å; V143-Y153 HydrophobicContact CG1-CE2 4.23Å; V143-Y153 HydrophobicContact CG1-CG 4.16Å
144G97.6Very high96.9Very high8 Ų834.3 Ų34.38%0.08217%0.172CC..Hα-helixtrans-57-40.417400000113.1I140 T141 E142 K206I140-G144 PolarHBondContact O-N 2.96Å; T141-G144 CarbonylContact O-C 3.57Å; T141-G144 WeakPolarHBondContact O-CA 3.48Å; T141-G144 PolarHBondContact O-N 3.3Å; T141-G144 VanDerWaalsContact O-N 3.12Å; E142-G144 PolarHBondContact O-N 3.21Å; G144-K206 PolarHBondContact O-NZ 3.31Å
145R98.1Very high97.2Very high68 Ų6832.6 Ų32.626%0.25716%0.158SC..Hα-helixtrans-65.5-50.3178.9-175.5-173.566.878.1-3112.1T108 Y110 D112 A113 T141 E142 V143 L147T108-R145 PolarHBondContact O-NH2 3.49Å; T108-R145 PolarHBondContact OG1-NH2 3.4Å; Y110-R145 VanDerWaalsContact O-CZ 3.27Å; Y110-R145 PolarHBondContact O-NH1 2.77Å; Y110-R145 PolarHBondContact O-NH2 3.49Å; D112-R145 VanDerWaalsContact OD1-CD 3.29Å; D112-R145 WeakPolarHBondContact OD1-CD 3.44Å; D112-R145 WeakPolarHBondContact OD1-CG 3.33Å; D112-R145 IonicContact OD1-CZ 2.8Å; D112-R145 IonicContact OD1-NE 2.77Å; D112-R145 IonicContact OD1-NH1 3.56Å; D112-R145 PolarHBondContact OD1-NH1 3.45Å; A113-R145 PolarHBondContact N-O 2.97Å; T141-R145 PolarHBondContact O-N 3.4Å; E142-R145 WeakPolarHBondContact O-CB 3.48Å; E142-R145 PolarHBondContact O-N 2.86Å; E142-R145 IonicContact OE1-CZ 2.66Å; E142-R145 IonicContact OE1-NE 2.86Å; E142-R145 PolarHBondContact OE1-NE 2.83Å; E142-R145 IonicContact OE1-NH2 3.57Å; E142-R145 PolarHBondContact OE1-NH2 2.91Å; E142-R145 IonicContact OE2-CZ 2.91Å; E142-R145 IonicContact OE2-NE 3.57Å; E142-R145 PolarHBondContact OE2-NE 3.07Å; E142-R145 IonicContact OE2-NH2 3.92Å; V143-R145 VanDerWaalsContact C-N 3.31Å; V143-R145 PolarHBondContact O-N 3.25Å; R145-L147 VanDerWaalsContact C-N 3.31Å; R145-L147 PolarHBondContact O-N 3.47Å
146V98.4Very high97.5Very high1 Ų130.8 Ų30.81%0.00615%0.148CC..Hα-helixtrans-75.7-18-175.4-57.60000113.4L53 T108 A113 S114 F115 E142 V143L53-V146 HydrophobicContact CD2-CG2 3.94Å; T108-V146 WeakPolarHBondContact OG1-CG1 3.46Å; A113-V146 CarbonylContact C-O 3.45Å; A113-V146 VanDerWaalsContact C-O 3.26Å; A113-V146 VanDerWaalsContact CA-O 3.24Å; A113-V146 WeakPolarHBondContact CA-O 3.43Å; A113-V146 PolarHBondContact N-O 3.48Å; S114-V146 PolarHBondContact N-O 3.29Å; F115-V146 HydrophobicContact CD2-CB 4.05Å; F115-V146 HydrophobicContact CD2-CG2 4.15Å; F115-V146 PolarHBondContact N-O 3.36Å; E142-V146 PolarHBondContact O-N 2.7Å; E142-V146 VanDerWaalsContact O-N 3.16Å; V143-V146 WeakPolarHBondContact O-CG2 3.38Å; V143-V146 PolarHBondContact O-N 3.21Å
147L98.5Very high97.5Very high0 Ų030.8 Ų30.80%015%0.148CC..EExtended strand (participates in β ladder)trans-76.2132.3174.3-79.3173.5000112.6F115 A118 V143 R145 W176 K206F115-L147 HydrophobicContact CB-CD2 4.36Å; A118-L147 HydrophobicContact CB-CD1 4.18Å; A118-L147 HydrophobicContact CB-CD2 4.21Å; A118-L147 HydrophobicContact CB-CG 4.32Å; V143-L147 HydrophobicContact CG1-CD1 3.74Å; V143-L147 HydrophobicContact CG1-CG 4.32Å; V143-L147 WeakPolarHBondContact O-CB 3.43Å; V143-L147 VanDerWaalsContact O-CG 3.29Å; V143-L147 WeakPolarHBondContact O-CG 3.35Å; V143-L147 PolarHBondContact O-N 2.81Å; V143-L147 VanDerWaalsContact O-N 3.11Å; R145-L147 VanDerWaalsContact C-N 3.31Å; R145-L147 PolarHBondContact O-N 3.47Å; L147-W176 HydrophobicContact CB-CH2 4.37Å; L147-W176 HydrophobicContact CD1-CH2 3.79Å; L147-W176 HydrophobicContact CD1-CZ3 4.02Å; L147-K206 HydrophobicContact CB-CD 4.37Å; L147-K206 WeakPolarHBondContact O-CD 3.42Å; L147-K206 PolarHBondContact O-NZ 3.33Å
148K98.1Very high97.2Very high84 Ų8426 Ų2637%0.36513%0.131SC..EExtended strand (participates in β ladder)trans-70163.2171.776.3176.4-167.6-169.40112.2A113 F115 Q116 G150 G151A113-K148 HydrophobicContact CB-CB 4.04Å; F115-K148 WeakPolarHBondContact O-CG 3.43Å; F115-K148 PolarHBondContact O-N 3.4Å; Q116-K148 HydrophobicContact CG-CD 4Å; Q116-K148 VanDerWaalsContact CG-NZ 3.28Å; K148-G150 PolarHBondContact O-N 3.07Å; K148-G151 WeakPolarHBondContact O-CA 3.42Å; K148-G151 PolarHBondContact O-N 3.03Å
149V97.3Very high97Very high72 Ų7220.4 Ų20.444%0.43611%0.11SC..EExtended strand (participates in β ladder)trans-58.7131.2167.7174.20000110G151 R208V149-G151 PolarHBondContact O-N 3.21Å; V149-R208 HydrophobicContact CG1-CB 3.92Å; V149-R208 HydrophobicContact CG2-CB 4.48Å
150G96.6Very high96.7Very high32 Ų3225.2 Ų25.233%0.3313%0.132SC..EExtended strand (participates in β ladder)trans80.7-2.4-171.600000114K148 K206K148-G150 PolarHBondContact O-N 3.07Å; G150-K206 WeakPolarHBondContact CA-O 3.26Å; G150-K206 PolarHBondContact N-O 3.06Å
151G97.9Very high96.2Very high1 Ų130.6 Ų30.61%0.0116%0.157CC..EExtended strand (participates in β ladder)trans-71.7159.6172.500000112.1Q116 K148 V149 K206Q116-G151 CarbonylContact O-C 3.47Å; Q116-G151 WeakPolarHBondContact O-CA 3.08Å; K148-G151 WeakPolarHBondContact O-CA 3.42Å; K148-G151 PolarHBondContact O-N 3.03Å; V149-G151 PolarHBondContact O-N 3.21Å; G151-K206 PolarHBondContact O-N 3.23Å
152R98.3Very high95.9Very high64 Ų6430.7 Ų30.724%0.24217%0.165CC..EExtended strand (participates in β ladder)trans-125.4131.8-173.2-59.5-176.2-172.581.512.7111.8Y45 Q116 A117 A118 V154 C204 T205Y45-R152 WeakPolarHBondContact O-CD 3.31Å; Y45-R152 PolarHBondContact O-NH1 3.23Å; Y45-R152 VanDerWaalsContact O-NH1 3.07Å; Q116-R152 PolarHBondContact O-N 3.33Å; Q116-R152 VanDerWaalsContact O-N 3.09Å; A117-R152 CarbonylContact C-O 3.59Å; A117-R152 VanDerWaalsContact CA-O 3.23Å; A117-R152 WeakPolarHBondContact CA-O 3.43Å; A118-R152 PolarHBondContact N-O 3.21Å; R152-V154 HydrophobicContact CB-CG2 4.18Å; R152-C204 CarbonylContact C-O 3.53Å; R152-C204 WeakPolarHBondContact CA-O 3.42Å; R152-T205 HydrophobicContact CG-CG2 4.36Å
153Y98.6Very high95.6Very high0 Ų029.9 Ų29.90%016%0.161CC..EExtended strand (participates in β ladder)trans-90.3123.4160.4175.6-120.7000108A118 D120 I140 V143 C155 F171 V203 C204A118-Y153 HydrophobicContact CB-CD2 4.04Å; D120-Y153 HydrophobicContact CB-CE2 3.62Å; D120-Y153 PolarHBondContact OD2-OH 3.37Å; I140-Y153 HydrophobicContact CG2-CE1 4.34Å; V143-Y153 HydrophobicContact CG1-CD2 3.64Å; V143-Y153 HydrophobicContact CG1-CE2 4.23Å; V143-Y153 HydrophobicContact CG1-CG 4.16Å; Y153-C155 HydrophobicContact CD1-CB 4.26Å; Y153-C155 HydrophobicContact CE1-CB 3.56Å; Y153-C155 HydrophobicContact CE2-CB 4.27Å; Y153-F171 HydrophobicContact CD1-CE1 4.46Å; Y153-F171 AromaticContact CD1-CE2 3.53Å; Y153-F171 HydrophobicContact CD1-CE2 3.53Å; Y153-F171 AromaticContact CD1-CZ 3.41Å; Y153-F171 HydrophobicContact CD1-CZ 3.41Å; Y153-F171 VanDerWaalsContact CD1-CZ 3.41Å; Y153-F171 AromaticContact CE1-CE2 3.79Å; Y153-F171 HydrophobicContact CE1-CE2 3.79Å; Y153-F171 AromaticContact CE1-CZ 3.92Å; Y153-F171 HydrophobicContact CE1-CZ 3.92Å; Y153-F171 HydrophobicContact CG-CZ 4.05Å; Y153-V203 CarbonylContact O-C 3.53Å; Y153-V203 WeakPolarHBondContact O-CA 3.39Å; Y153-C204 PolarHBondContact N-O 2.8Å; Y153-C204 PolarHBondContact O-N 3.31Å
154V98.4Very high95.5Very high0 Ų030 Ų300%016%0.162CC..EExtended strand (participates in β ladder)trans-119.9105.3-178.2-1770000107.1L42 I46 A118 L119 D120 R152 V201 L202L42-V154 HydrophobicContact CD2-CG1 3.79Å; I46-V154 HydrophobicContact CD1-CB 4.44Å; I46-V154 HydrophobicContact CD1-CG2 4.36Å; I46-V154 HydrophobicContact CG1-CG2 4.12Å; A118-V154 PolarHBondContact O-N 3.13Å; L119-V154 WeakPolarHBondContact CA-O 3.44Å; L119-V154 HydrophobicContact CD1-CB 4.34Å; L119-V154 HydrophobicContact CD1-CG1 4.19Å; D120-V154 PolarHBondContact N-O 3.11Å; R152-V154 HydrophobicContact CB-CG2 4.18Å; V154-V201 HydrophobicContact CG1-CG1 3.64Å; V154-L202 CarbonylContact C-O 3.54Å; V154-L202 WeakPolarHBondContact CA-O 3.29Å
155C98.1Very high95.4Very high0 Ų034.2 Ų34.20%018%0.178CC..EExtended strand (participates in β ladder)trans-116.1119.9-174.2175.80000110.8D120 Y153 V201 L202D120-C155 HydrophobicContact CB-CB 4.23Å; D120-C155 CarbonylContact O-C 3.13Å; D120-C155 VanDerWaalsContact O-CA 3.3Å; D120-C155 WeakPolarHBondContact O-CA 3.28Å; Y153-C155 HydrophobicContact CD1-CB 4.26Å; Y153-C155 HydrophobicContact CE1-CB 3.56Å; Y153-C155 HydrophobicContact CE2-CB 4.27Å; C155-V201 CarbonylContact O-C 3.51Å; C155-V201 VanDerWaalsContact O-CA 3.32Å; C155-V201 WeakPolarHBondContact O-CA 3.45Å; C155-L202 HydrophobicContact CB-CB 4.22Å; C155-L202 PolarHBondContact N-O 2.86Å; C155-L202 PolarHBondContact O-N 3.48Å
156V96.7Very high95.3Very high0 Ų031.7 Ų31.70%017%0.17CC..EExtended strand (participates in β ladder)trans-90.1119.3172.3-174.70000108.2L38 D120 K121 G122 V199 F200 V201L38-V156 HydrophobicContact CD1-CG1 4.34Å; L38-V156 HydrophobicContact CD1-CG2 4.28Å; L38-V156 HydrophobicContact CD2-CG1 3.8Å; L38-V156 HydrophobicContact CD2-CG2 4.21Å; D120-V156 PolarHBondContact O-N 2.92Å; K121-V156 HydrophobicContact CB-CB 4.22Å; K121-V156 HydrophobicContact CD-CB 4.41Å; K121-V156 HydrophobicContact CD-CG1 4.45Å; K121-V156 HydrophobicContact CG-CB 3.94Å; K121-V156 HydrophobicContact CG-CG1 4.21Å; G122-V156 PolarHBondContact N-O 2.93Å; V156-V199 HydrophobicContact CG1-CG1 3.63Å; V156-F200 WeakPolarHBondContact CA-O 3.43Å; V156-V201 HydrophobicContact CG2-CG2 4.31Å
157T94.3Very high95.2Very high1 Ų131.6 Ų31.61%0.00617%0.169CC..EExtended strand (participates in β ladder)trans-147.6158.8-168.6173.30000111.4D125 A159 F200D125-T157 VanDerWaalsContact CG-OG1 3.24Å; D125-T157 PolarHBondContact OD1-OG1 2.91Å; D125-T157 VanDerWaalsContact OD2-CA 3.25Å; D125-T157 WeakPolarHBondContact OD2-CA 3.42Å; D125-T157 VanDerWaalsContact OD2-CB 3.25Å; D125-T157 WeakPolarHBondContact OD2-CB 3.49Å; D125-T157 PolarHBondContact OD2-OG1 3.49Å; T157-A159 HydrophobicContact CG2-CB 4.22Å; T157-A159 PolarHBondContact OG1-N 3.41Å; T157-F200 HydrophobicContact CG2-CB 4.28Å; T157-F200 PolarHBondContact N-O 2.87Å; T157-F200 PolarHBondContact O-N 3.39Å
158L90.4Very high95.1Very high4 Ų431.6 Ų31.62%0.02117%0.169CC..  trans-79.2-3.6165-66.6179.3000112.9Y32 Q160 F195 L197 V199 Q243Y32-L158 HydrophobicContact CD1-CD1 4.17Å; Y32-L158 HydrophobicContact CD1-CD2 3.78Å; Y32-L158 HydrophobicContact CD1-CG 3.7Å; Y32-L158 HydrophobicContact CE1-CD1 3.5Å; Y32-L158 VanDerWaalsContact CE1-CD1 3.5Å; Y32-L158 HydrophobicContact CE1-CD2 3.98Å; Y32-L158 HydrophobicContact CE1-CG 3.37Å; Y32-L158 HydrophobicContact CG-CG 4.47Å; L158-Q160 VanDerWaalsContact C-N 3.26Å; L158-Q160 HydrophobicContact CB-CG 4.47Å; L158-Q160 PolarHBondContact O-N 2.89Å; L158-F195 HydrophobicContact CD1-CD1 3.74Å; L158-F195 HydrophobicContact CD1-CE1 3.92Å; L158-F195 HydrophobicContact CD1-CG 4.35Å; L158-L197 HydrophobicContact CB-CD1 4.44Å; L158-L197 HydrophobicContact CD2-CB 4.26Å; L158-V199 HydrophobicContact CD2-CG2 4.25Å; L158-Q243 PolarHBondContact O-NE2 2.92Å
159A91.2Very high95Very high0 Ų031.6 Ų31.60%017%0.171CC..  trans52.340.8-179.900000113.1T157 I164 F200 V239 Q243T157-A159 HydrophobicContact CG2-CB 4.22Å; T157-A159 PolarHBondContact OG1-N 3.41Å; A159-I164 HydrophobicContact CB-CB 3.93Å; A159-I164 HydrophobicContact CB-CD1 4.45Å; A159-I164 HydrophobicContact CB-CG1 4.14Å; A159-I164 HydrophobicContact CB-CG2 4.33Å; A159-I164 WeakPolarHBondContact O-CG2 3.4Å; A159-F200 HydrophobicContact CB-CB 4.04Å; A159-F200 HydrophobicContact CB-CD2 3.47Å; A159-F200 VanDerWaalsContact CB-CD2 3.47Å; A159-F200 HydrophobicContact CB-CE2 4Å; A159-F200 HydrophobicContact CB-CG 3.81Å; A159-V239 HydrophobicContact CB-CG1 3.97Å; A159-Q243 VanDerWaalsContact C-NE2 3.29Å; A159-Q243 PolarHBondContact O-NE2 3.06Å
160Q89.6Confident94.9Very high101 Ų10129 Ų2947%0.47215%0.154SC..  trans-55.1146.7174.3-68.5-176.2-19.700110.2L158 A162 V163 I164 L197L158-Q160 VanDerWaalsContact C-N 3.26Å; L158-Q160 HydrophobicContact CB-CG 4.47Å; L158-Q160 PolarHBondContact O-N 2.89Å; Q160-A162 VanDerWaalsContact C-N 3.3Å; Q160-A162 PolarHBondContact O-N 2.98Å; Q160-A162 VanDerWaalsContact O-N 3.12Å; Q160-V163 HydrophobicContact CB-CG2 4.05Å; Q160-V163 WeakPolarHBondContact O-CA 3.39Å; Q160-V163 WeakPolarHBondContact O-CB 3.45Å; Q160-V163 PolarHBondContact O-N 3.04Å; Q160-I164 PolarHBondContact O-N 2.78Å; Q160-L197 HydrophobicContact CG-CD1 4.36Å
161E89Confident94.9Very high112 Ų11227.6 Ų27.652%0.52314%0.138SC..Hα-helixtrans-50.5-46.4-166.1-176.3165.7-154.400113.3K165 R240E161-K165 WeakPolarHBondContact O-CB 3.24Å; E161-K165 PolarHBondContact O-N 2.87Å; E161-K165 VanDerWaalsContact O-N 3.08Å; E161-R240 WeakPolarHBondContact OE1-CD 3.4Å; E161-R240 IonicContact OE1-CZ 3.24Å; E161-R240 IonicContact OE1-NE 3.88Å; E161-R240 IonicContact OE1-NH1 4Å; E161-R240 PolarHBondContact OE1-NH1 3.46Å; E161-R240 VanDerWaalsContact OE1-NH1 3.08Å
162A89.7Confident94.7Very high73 Ų7329.1 Ų29.160%0.60315%0.148SC*.Hα-helixtrans-64.2-43.1177.700000112.9Q160 L166Q160-A162 VanDerWaalsContact C-N 3.3Å; Q160-A162 PolarHBondContact O-N 2.98Å; Q160-A162 VanDerWaalsContact O-N 3.12Å; A162-L166 VanDerWaalsContact O-CB 3.25Å; A162-L166 WeakPolarHBondContact O-CB 3.41Å; A162-L166 PolarHBondContact O-N 2.71Å
163V93Very high94.5Very high4 Ų434 Ų342%0.02417%0.173CC..Hα-helixtrans-66.5-53.3-176.9-172.40000110.6L124 A128 Q160 L166 A167L124-V163 HydrophobicContact CD2-CG1 3.97Å; L124-V163 HydrophobicContact CG-CG1 3.8Å; A128-V163 HydrophobicContact CB-CB 4.22Å; A128-V163 HydrophobicContact CB-CG1 4.03Å; A128-V163 HydrophobicContact CB-CG2 3.78Å; Q160-V163 HydrophobicContact CB-CG2 4.05Å; Q160-V163 WeakPolarHBondContact O-CA 3.39Å; Q160-V163 WeakPolarHBondContact O-CB 3.45Å; Q160-V163 PolarHBondContact O-N 3.04Å; V163-L166 PolarHBondContact O-N 2.95Å; V163-A167 PolarHBondContact O-N 2.96Å; V163-A167 VanDerWaalsContact O-N 3.07Å
164I95.3Very high94.2Very high5 Ų538.7 Ų38.73%0.02620%0.196CC..Hα-helixtrans-70.9-36.8-175.2-168.457.8000111.6A159 Q160 A167 V168 L180 L202 L236 V239A159-I164 HydrophobicContact CB-CB 3.93Å; A159-I164 HydrophobicContact CB-CD1 4.45Å; A159-I164 HydrophobicContact CB-CG1 4.14Å; A159-I164 HydrophobicContact CB-CG2 4.33Å; A159-I164 WeakPolarHBondContact O-CG2 3.4Å; Q160-I164 PolarHBondContact O-N 2.78Å; I164-A167 PolarHBondContact O-N 3.12Å; I164-V168 HydrophobicContact CD1-CG2 3.73Å; I164-V168 HydrophobicContact CG1-CG2 3.9Å; I164-V168 WeakPolarHBondContact O-CB 3.21Å; I164-V168 WeakPolarHBondContact O-CG2 3.27Å; I164-V168 PolarHBondContact O-N 3.44Å; I164-L180 HydrophobicContact CD1-CD1 4.35Å; I164-L180 HydrophobicContact CD1-CD2 3.73Å; I164-L180 HydrophobicContact CD1-CG 4.4Å; I164-L180 HydrophobicContact CG1-CD2 4.11Å; I164-L202 HydrophobicContact CD1-CD1 4.13Å; I164-L202 HydrophobicContact CD1-CD2 4.07Å; I164-L202 HydrophobicContact CD1-CG 4.48Å; I164-L236 HydrophobicContact CG1-CD2 4.23Å; I164-L236 HydrophobicContact CG2-CD2 3.87Å; I164-V239 HydrophobicContact CG2-CG1 4.43Å
165K95.4Very high94Very high97 Ų9739.3 Ų39.342%0.42220%0.202SC..Hα-helixtrans-59.1-50.3173.5-179179.7177.9-174.80110.9E161 A167 V168 E169 L236E161-K165 WeakPolarHBondContact O-CB 3.24Å; E161-K165 PolarHBondContact O-N 2.87Å; E161-K165 VanDerWaalsContact O-N 3.08Å; K165-A167 VanDerWaalsContact C-N 3.34Å; K165-A167 PolarHBondContact O-N 3.34Å; K165-V168 PolarHBondContact O-N 3.47Å; K165-E169 WeakPolarHBondContact CE-OE1 3.35Å; K165-E169 HydrophobicContact CG-CG 4.26Å; K165-E169 WeakPolarHBondContact CG-OE1 3.35Å; K165-E169 VanDerWaalsContact O-CB 3.29Å; K165-E169 WeakPolarHBondContact O-CB 3.39Å; K165-E169 VanDerWaalsContact O-CG 3.28Å; K165-E169 WeakPolarHBondContact O-CG 3.37Å; K165-E169 PolarHBondContact O-N 3.06Å; K165-L236 HydrophobicContact CB-CD1 4.09Å; K165-L236 HydrophobicContact CB-CD2 4.48Å; K165-L236 HydrophobicContact CG-CD1 3.96Å
166L95.8Very high93.9Very high14 Ų1439.7 Ų39.77%0.07320%0.203CC..Hα-helixtrans-56.2-48.3179.2-178.4154000111.6G133 A136 I140 A162 V163 H170G133-L166 WeakPolarHBondContact O-CD1 3.37Å; A136-L166 HydrophobicContact CB-CD1 4.31Å; A136-L166 HydrophobicContact CB-CD2 4.15Å; I140-L166 HydrophobicContact CD1-CD2 3.63Å; A162-L166 VanDerWaalsContact O-CB 3.25Å; A162-L166 WeakPolarHBondContact O-CB 3.41Å; A162-L166 PolarHBondContact O-N 2.71Å; V163-L166 PolarHBondContact O-N 2.95Å; L166-H170 WeakPolarHBondContact O-CB 3.22Å; L166-H170 PolarHBondContact O-N 3.11Å
167A96.6Very high93.9Very high0 Ų040.2 Ų40.20%021%0.208CC..Hα-helixtrans-67.8-49.9-177.600000112.2L124 V163 I164 K165 E169 H170 F171 L202L124-A167 HydrophobicContact CD2-CB 3.97Å; V163-A167 PolarHBondContact O-N 2.96Å; V163-A167 VanDerWaalsContact O-N 3.07Å; I164-A167 PolarHBondContact O-N 3.12Å; K165-A167 VanDerWaalsContact C-N 3.34Å; K165-A167 PolarHBondContact O-N 3.34Å; A167-E169 PolarHBondContact O-N 3.32Å; A167-H170 PolarHBondContact O-N 3.24Å; A167-F171 WeakPolarHBondContact O-CD2 3.42Å; A167-F171 PolarHBondContact O-N 3.04Å; A167-L202 HydrophobicContact CB-CD2 3.63Å
168V97Very high94Very high0 Ų040.2 Ų40.20%021%0.207CC..Hα-helixtrans-61.4-48.4-178.9174.60000110.5I164 K165 H170 F171 V172 V178 L180 L202 V232 L235 L236I164-V168 HydrophobicContact CD1-CG2 3.73Å; I164-V168 HydrophobicContact CG1-CG2 3.9Å; I164-V168 WeakPolarHBondContact O-CB 3.21Å; I164-V168 WeakPolarHBondContact O-CG2 3.27Å; I164-V168 PolarHBondContact O-N 3.44Å; K165-V168 PolarHBondContact O-N 3.47Å; V168-H170 VanDerWaalsContact C-N 3.32Å; V168-H170 PolarHBondContact O-N 2.86Å; V168-F171 PolarHBondContact O-N 3.17Å; V168-V172 HydrophobicContact CG1-CG2 4.11Å; V168-V172 VanDerWaalsContact O-CB 3.29Å; V168-V172 WeakPolarHBondContact O-CB 3.45Å; V168-V172 WeakPolarHBondContact O-CG2 3.46Å; V168-V172 PolarHBondContact O-N 3.12Å; V168-V178 HydrophobicContact CG1-CG1 4.36Å; V168-V178 HydrophobicContact CG2-CG1 4.08Å; V168-L180 HydrophobicContact CG2-CD1 4.42Å; V168-L202 HydrophobicContact CG2-CD1 4.48Å; V168-V232 HydrophobicContact CG1-CG1 3.76Å; V168-V232 HydrophobicContact CG1-CG2 4.19Å; V168-L235 HydrophobicContact CG1-CD2 4.18Å; V168-L235 HydrophobicContact CG2-CD2 4.49Å; V168-L236 HydrophobicContact CG2-CD2 4.43Å
169E95.8Very high94.3Very high84 Ų8443.5 Ų43.539%0.39322%0.22SC..Hα-helixtrans-60.7-41.9178.5-71.7177.2169.600111.6K165 A167 H173 V232K165-E169 WeakPolarHBondContact CE-OE1 3.35Å; K165-E169 HydrophobicContact CG-CG 4.26Å; K165-E169 WeakPolarHBondContact CG-OE1 3.35Å; K165-E169 VanDerWaalsContact O-CB 3.29Å; K165-E169 WeakPolarHBondContact O-CB 3.39Å; K165-E169 VanDerWaalsContact O-CG 3.28Å; K165-E169 WeakPolarHBondContact O-CG 3.37Å; K165-E169 PolarHBondContact O-N 3.06Å; A167-E169 PolarHBondContact O-N 3.32Å; E169-H173 VanDerWaalsContact O-CB 3.24Å; E169-H173 WeakPolarHBondContact O-CB 3.25Å; E169-H173 PolarHBondContact O-N 3.15Å; E169-V232 HydrophobicContact CG-CG1 4.15Å
170H95.6Very high94.6Very high18 Ų1843.5 Ų43.58%0.08322%0.22CC..Hα-helixtrans-61-53.4177.1178.886.3000112.1I140 T141 L166 A167 V168 V172 H173 M174I140-H170 HydrophobicContact CD1-CB 3.64Å; I140-H170 VanDerWaalsContact CD1-CD2 3.48Å; I140-H170 WeakPolarHBondContact CD1-CD2 3.45Å; I140-H170 VanDerWaalsContact CD1-CG 3.42Å; T141-H170 PolarHBondContact OG1-CE1 3.28Å; L166-H170 WeakPolarHBondContact O-CB 3.22Å; L166-H170 PolarHBondContact O-N 3.11Å; A167-H170 PolarHBondContact O-N 3.24Å; V168-H170 VanDerWaalsContact C-N 3.32Å; V168-H170 PolarHBondContact O-N 2.86Å; H170-V172 PolarHBondContact O-N 3.41Å; H170-H173 WeakPolarHBondContact O-CB 3.2Å; H170-H173 PolarHBondContact O-N 3.04Å; H170-M174 VanDerWaalsContact O-CG 3.31Å; H170-M174 WeakPolarHBondContact O-CG 3.47Å; H170-M174 PolarHBondContact O-N 3.45Å
171F95.9Very high94.9Very high1 Ų138.8 Ų38.80%0.00420%0.197CC..Hα-helixtrans-69.6-33.8-176.2-73.8-64.9000112.8I140 Y153 A167 V168 M174 G175 W176 V178 C204I140-F171 HydrophobicContact CB-CE2 4.32Å; I140-F171 HydrophobicContact CB-CZ 3.95Å; I140-F171 HydrophobicContact CG2-CE2 4.45Å; I140-F171 HydrophobicContact CG2-CZ 4.38Å; Y153-F171 HydrophobicContact CD1-CE1 4.46Å; Y153-F171 AromaticContact CD1-CE2 3.53Å; Y153-F171 HydrophobicContact CD1-CE2 3.53Å; Y153-F171 AromaticContact CD1-CZ 3.41Å; Y153-F171 HydrophobicContact CD1-CZ 3.41Å; Y153-F171 VanDerWaalsContact CD1-CZ 3.41Å; Y153-F171 AromaticContact CE1-CE2 3.79Å; Y153-F171 HydrophobicContact CE1-CE2 3.79Å; Y153-F171 AromaticContact CE1-CZ 3.92Å; Y153-F171 HydrophobicContact CE1-CZ 3.92Å; Y153-F171 HydrophobicContact CG-CZ 4.05Å; A167-F171 WeakPolarHBondContact O-CD2 3.42Å; A167-F171 PolarHBondContact O-N 3.04Å; V168-F171 PolarHBondContact O-N 3.17Å; F171-M174 CarbonylContact O-C 3.55Å; F171-M174 PolarHBondContact O-N 2.91Å; F171-G175 PolarHBondContact O-N 2.65Å; F171-W176 HydrophobicContact CB-CB 4.2Å; F171-W176 AromaticContact CD1-CD2 3.75Å; F171-W176 HydrophobicContact CD1-CD2 3.75Å; F171-W176 AromaticContact CD1-CE3 3.57Å; F171-W176 HydrophobicContact CD1-CE3 3.57Å; F171-W176 HydrophobicContact CD1-CG 4.23Å; F171-W176 HydrophobicContact CD1-CH2 4.47Å; F171-W176 AromaticContact CD1-CZ3 3.98Å; F171-W176 HydrophobicContact CD1-CZ3 3.98Å; F171-W176 HydrophobicContact CE1-CD2 4.31Å; F171-W176 AromaticContact CE1-CE3 3.85Å; F171-W176 HydrophobicContact CE1-CE3 3.85Å; F171-W176 HydrophobicContact CE1-CH2 4.08Å; F171-W176 AromaticContact CE1-CZ3 3.73Å; F171-W176 HydrophobicContact CE1-CZ3 3.73Å; F171-W176 WeakPolarHBondContact O-CB 3.49Å; F171-W176 PolarHBondContact O-N 2.87Å; F171-V178 HydrophobicContact CB-CG2 3.93Å; F171-C204 HydrophobicContact CB-CB 4.23Å; F171-C204 HydrophobicContact CD1-CB 3.86Å; F171-C204 HydrophobicContact CD2-CB 3.88Å; F171-C204 WeakPolarHBondContact CD2-SG 3.45Å; F171-C204 HydrophobicContact CE1-CB 4.16Å; F171-C204 HydrophobicContact CE2-CB 4.18Å; F171-C204 HydrophobicContact CG-CB 3.72Å; F171-C204 VanDerWaalsContact CG-SG 3.6Å; F171-C204 HydrophobicContact CZ-CB 4.31Å
172V94.6Very high95.1Very high34 Ų3433.8 Ų33.821%0.20618%0.175CC..Hα-helixtrans-66.1-42.7173.3172.20000110.9V168 H170 M174 G175 V178 P214 L216 V232V168-V172 HydrophobicContact CG1-CG2 4.11Å; V168-V172 VanDerWaalsContact O-CB 3.29Å; V168-V172 WeakPolarHBondContact O-CB 3.45Å; V168-V172 WeakPolarHBondContact O-CG2 3.46Å; V168-V172 PolarHBondContact O-N 3.12Å; H170-V172 PolarHBondContact O-N 3.41Å; V172-M174 PolarHBondContact O-N 3.31Å; V172-G175 WeakPolarHBondContact O-CA 3.48Å; V172-G175 PolarHBondContact O-N 3.39Å; V172-V178 HydrophobicContact CG2-CG2 3.94Å; V172-P214 HydrophobicContact CG1-CB 4.15Å; V172-L216 HydrophobicContact CG2-CD2 3.53Å; V172-V232 HydrophobicContact CB-CG2 4.37Å; V172-V232 HydrophobicContact CG1-CG2 4.14Å; V172-V232 HydrophobicContact CG2-CG2 4.06Å
173H93.3Very high95Very high167 Ų16731 Ų3177%0.77315%0.15SC*.Hα-helixtrans-59.8-36.3174.7-177.176.9000112E169 H170 G175E169-H173 VanDerWaalsContact O-CB 3.24Å; E169-H173 WeakPolarHBondContact O-CB 3.25Å; E169-H173 PolarHBondContact O-N 3.15Å; H170-H173 WeakPolarHBondContact O-CB 3.2Å; H170-H173 PolarHBondContact O-N 3.04Å; H173-G175 PolarHBondContact O-N 3.2Å
174M92.6Very high93.9Very high98 Ų9837.7 Ų37.748%0.48318%0.181SC..THydrogen-bonded Turntrans-74.8-4.4174.3-66.4-64.9-67.300113.9H170 F171 V172 W176H170-M174 VanDerWaalsContact O-CG 3.31Å; H170-M174 WeakPolarHBondContact O-CG 3.47Å; H170-M174 PolarHBondContact O-N 3.45Å; F171-M174 CarbonylContact O-C 3.55Å; F171-M174 PolarHBondContact O-N 2.91Å; V172-M174 PolarHBondContact O-N 3.31Å; M174-W176 HydrophobicContact CB-CG 4.47Å
175G93.9Very high92.5Very high12 Ų1241.3 Ų41.312%0.12420%0.198CC..THydrogen-bonded Turntrans79.622.5179.100000115F171 V172 H173F171-G175 PolarHBondContact O-N 2.65Å; V172-G175 WeakPolarHBondContact O-CA 3.48Å; V172-G175 PolarHBondContact O-N 3.39Å; H173-G175 PolarHBondContact O-N 3.2Å
176W95.9Very high90.5Very high9 Ų945.4 Ų45.43%0.03422%0.218CC..  trans-86.7155.8-178.6-67.833.1000111.4L147 F171 M174 C204 T205 K206L147-W176 HydrophobicContact CB-CH2 4.37Å; L147-W176 HydrophobicContact CD1-CH2 3.79Å; L147-W176 HydrophobicContact CD1-CZ3 4.02Å; F171-W176 HydrophobicContact CB-CB 4.2Å; F171-W176 AromaticContact CD1-CD2 3.75Å; F171-W176 HydrophobicContact CD1-CD2 3.75Å; F171-W176 AromaticContact CD1-CE3 3.57Å; F171-W176 HydrophobicContact CD1-CE3 3.57Å; F171-W176 HydrophobicContact CD1-CG 4.23Å; F171-W176 HydrophobicContact CD1-CH2 4.47Å; F171-W176 AromaticContact CD1-CZ3 3.98Å; F171-W176 HydrophobicContact CD1-CZ3 3.98Å; F171-W176 HydrophobicContact CE1-CD2 4.31Å; F171-W176 AromaticContact CE1-CE3 3.85Å; F171-W176 HydrophobicContact CE1-CE3 3.85Å; F171-W176 HydrophobicContact CE1-CH2 4.08Å; F171-W176 AromaticContact CE1-CZ3 3.73Å; F171-W176 HydrophobicContact CE1-CZ3 3.73Å; F171-W176 WeakPolarHBondContact O-CB 3.49Å; F171-W176 PolarHBondContact O-N 2.87Å; M174-W176 HydrophobicContact CB-CG 4.47Å; W176-C204 HydrophobicContact CE3-CB 3.78Å; W176-C204 HydrophobicContact CZ3-CB 4.3Å; W176-T205 WeakPolarHBondContact CA-O 3.31Å; W176-T205 VanDerWaalsContact CB-O 3.28Å; W176-T205 WeakPolarHBondContact CB-O 3.39Å; W176-K206 VanDerWaalsContact CD2-CA 3.45Å; W176-K206 HydrophobicContact CD2-CB 3.85Å; W176-K206 HydrophobicContact CD2-CG 4.27Å; W176-K206 HydrophobicContact CE3-CB 3.97Å; W176-K206 HydrophobicContact CH2-CB 3.65Å; W176-K206 HydrophobicContact CH2-CD 3.94Å; W176-K206 HydrophobicContact CH2-CG 4.03Å; W176-K206 HydrophobicContact CZ2-CB 3.51Å; W176-K206 HydrophobicContact CZ2-CD 3.44Å; W176-K206 VanDerWaalsContact CZ2-CD 3.44Å; W176-K206 HydrophobicContact CZ2-CG 3.41Å; W176-K206 VanDerWaalsContact CZ2-CG 3.41Å; W176-K206 HydrophobicContact CZ3-CB 3.87Å
177A96.5Very high88.4Confident11 Ų1153.1 Ų53.19%0.09125%0.246CC..EExtended strand (participates in β ladder)trans-74.8137.8163.500000109.8C204 T205 F207 I215A177-C204 CarbonylContact O-C 3.26Å; A177-C204 VanDerWaalsContact O-CA 3.24Å; A177-C204 WeakPolarHBondContact O-CA 3.26Å; A177-T205 PolarHBondContact N-O 3.46Å; A177-T205 VanDerWaalsContact N-O 3.13Å; A177-T205 PolarHBondContact O-N 3.38Å; A177-F207 HydrophobicContact CB-CD2 4.47Å; A177-F207 HydrophobicContact CB-CE2 3.49Å; A177-F207 VanDerWaalsContact CB-CE2 3.49Å; A177-F207 HydrophobicContact CB-CZ 4.03Å; A177-I215 HydrophobicContact CB-CB 3.78Å; A177-I215 HydrophobicContact CB-CD1 4.16Å; A177-I215 HydrophobicContact CB-CG2 4Å
178V97.6Very high86.2Confident0 Ų055.2 Ų55.20%027%0.268CS..EExtended strand (participates in β ladder)trans-120.4124.9176.8175.20000109.2V168 F171 V172 L180 L202 I215 L216 E217 L235V168-V178 HydrophobicContact CG1-CG1 4.36Å; V168-V178 HydrophobicContact CG2-CG1 4.08Å; F171-V178 HydrophobicContact CB-CG2 3.93Å; V172-V178 HydrophobicContact CG2-CG2 3.94Å; V178-L180 HydrophobicContact CG1-CD1 4.25Å; V178-L202 HydrophobicContact CG1-CD1 3.7Å; V178-I215 PolarHBondContact N-O 3.05Å; V178-I215 VanDerWaalsContact O-O 3.1Å; V178-L216 HydrophobicContact CB-CD2 4.14Å; V178-L216 WeakPolarHBondContact O-CA 3.48Å; V178-E217 PolarHBondContact O-N 3.1Å; V178-L235 HydrophobicContact CG1-CD2 4.17Å
179R97.1Very high83.5Confident74 Ų7464.8 Ų64.828%0.27931%0.31SS..EExtended strand (participates in β ladder)trans-133.2128.7175-177.6-179.2-70.1170.5-3.2110.1Y45 H181 V203 E217Y45-R179 WeakPolarHBondContact OH-CD 3.24Å; Y45-R179 PolarHBondContact OH-NH1 3.46Å; R179-H181 WeakPolarHBondContact CD-NE2 3.36Å; R179-V203 PolarHBondContact N-O 3.43Å; R179-V203 PolarHBondContact O-N 2.79Å; R179-E217 CarbonylContact C-O 3.59Å; R179-E217 VanDerWaalsContact CA-O 3.29Å; R179-E217 WeakPolarHBondContact CA-O 3.37Å; R179-E217 HydrophobicContact CB-CB 4.34Å; R179-E217 HydrophobicContact CG-CB 4.04Å; R179-E217 IonicContact CZ-OE2 3.26Å; R179-E217 IonicContact NE-OE2 2.67Å; R179-E217 PolarHBondContact NE-OE2 3.3Å; R179-E217 IonicContact NH2-OE2 3.57Å; R179-E217 PolarHBondContact NH2-OE2 2.79Å
180L96.7Very high81Confident0 Ų069.1 Ų69.10%033%0.33CS..EExtended strand (participates in β ladder)trans-103.2141.3171.5-79105.3000111.2I164 V168 V178 F200 V201 L202 E217 M218 C219 L235 V239I164-L180 HydrophobicContact CD1-CD1 4.35Å; I164-L180 HydrophobicContact CD1-CD2 3.73Å; I164-L180 HydrophobicContact CD1-CG 4.4Å; I164-L180 HydrophobicContact CG1-CD2 4.11Å; V168-L180 HydrophobicContact CG2-CD1 4.42Å; V178-L180 HydrophobicContact CG1-CD1 4.25Å; L180-F200 HydrophobicContact CD2-CB 4.24Å; L180-F200 HydrophobicContact CD2-CD1 3.86Å; L180-F200 HydrophobicContact CD2-CG 4.29Å; L180-V201 WeakPolarHBondContact CA-O 3.36Å; L180-L202 HydrophobicContact CD1-CD1 4.06Å; L180-L202 HydrophobicContact CG-CD1 4.02Å; L180-E217 PolarHBondContact N-O 3.44Å; L180-M218 CarbonylContact O-C 3.59Å; L180-M218 WeakPolarHBondContact O-CA 3.5Å; L180-C219 PolarHBondContact O-N 2.8Å; L180-L235 HydrophobicContact CD1-CD1 3.96Å; L180-L235 HydrophobicContact CD1-CD2 3.75Å; L180-L235 HydrophobicContact CD1-CG 4.03Å; L180-V239 HydrophobicContact CD2-CG2 3.88Å
181H95Very high78.9Confident1 Ų170.3 Ų70.31%0.00534%0.335CS..EExtended strand (participates in β ladder)trans-112.1116.7165.8-63.5-94.4000108.1V41 Y45 R179 L183 F200 V201 C219V41-H181 HydrophobicContact CG1-CB 4.35Å; V41-H181 HydrophobicContact CG2-CB 4.17Å; Y45-H181 AromaticContact CE2-CD2 3.93Å; Y45-H181 AromaticContact CE2-CE1 3.88Å; Y45-H181 AromaticContact CE2-NE2 3.3Å; Y45-H181 VanDerWaalsContact CE2-NE2 3.3Å; Y45-H181 WeakPolarHBondContact CE2-NE2 3.28Å; Y45-H181 AromaticContact CZ-CE1 3.97Å; Y45-H181 AromaticContact CZ-NE2 3.39Å; Y45-H181 PolarHBondContact OH-CE1 2.99Å; Y45-H181 PolarHBondContact OH-NE2 3.31Å; R179-H181 WeakPolarHBondContact CD-NE2 3.36Å; H181-L183 HydrophobicContact CB-CD2 4.37Å; H181-L183 PolarHBondContact O-N 2.67Å; H181-F200 CarbonylContact O-C 3.21Å; H181-F200 WeakPolarHBondContact O-CA 3.24Å; H181-V201 HydrophobicContact CB-CB 4.25Å; H181-V201 PolarHBondContact N-O 2.88Å; H181-V201 PolarHBondContact O-N 2.93Å; H181-C219 VanDerWaalsContact CE1-SG 3.57Å; H181-C219 WeakPolarHBondContact ND1-CB 3.44Å
182C92.8Very high76.6Confident7 Ų778.2 Ų78.25%0.04737%0.373CS..EExtended strand (participates in β ladder)trans-83.9107.4167.9-177.90000107.9Q184 F200 M218 C219 G221C182-Q184 PolarHBondContact O-N 2.93Å; C182-F200 HydrophobicContact CB-CD1 3.88Å; C182-F200 HydrophobicContact CB-CE1 3.57Å; C182-F200 HydrophobicContact CB-CZ 4.31Å; C182-M218 HydrophobicContact CB-CE 3.9Å; C182-C219 PolarHBondContact N-O 3.38Å; C182-G221 PolarHBondContact O-N 3.29Å
183L88Confident74.4Confident16 Ų1684.6 Ų84.68%0.08441%0.405CS..PPolyproline II helixtrans-69.8133.7-179.1-55.9-175.2000109.5L38 V41 H181 V199 V201L38-L183 HydrophobicContact CD2-CD1 3.51Å; V41-L183 HydrophobicContact CG2-CD2 3.64Å; H181-L183 HydrophobicContact CB-CD2 4.37Å; H181-L183 PolarHBondContact O-N 2.67Å; L183-V199 WeakPolarHBondContact CB-O 3.28Å; L183-V199 HydrophobicContact CD1-CB 4.32Å; L183-V199 HydrophobicContact CD1-CG1 3.91Å; L183-V199 PolarHBondContact N-O 3.39Å; L183-V201 HydrophobicContact CD1-CG2 3.94Å; L183-V201 HydrophobicContact CD2-CG2 4.07Å; L183-V201 HydrophobicContact CG-CG2 4.14Å
184Q70.9Confident72.6Confident143 Ų14378.7 Ų78.767%0.66838%0.381SS*.PPolyproline II helixtrans-81.9132.5175.7-72-167.7-2.900109.5C182 V220C182-Q184 PolarHBondContact O-N 2.93Å; Q184-V220 HydrophobicContact CG-CG1 4.19Å
185E65.1Low71.2Confident82 Ų8280 Ų8038%0.38338%0.384SS..PPolyproline II helixtrans-73.8128.4167-64.6-171.8148.500109.6R187E185-R187 PolarHBondContact O-N 2.69Å
186E54.1Low70.2Confident182 Ų18281.3 Ų81.385%0.8539%0.394SS*.PPolyproline II helixtrans-59.2136.4173.5-68.4-164.3159.800110.7G188E186-G188 PolarHBondContact O-N 3.29Å
187R51.7Low69.5Low176 Ų17682.7 Ų82.766%0.66440%0.402SS*.SBendtrans-67.9101.1178.8-64.4-179.6-179.5-143.1-6.1109E185E185-R187 PolarHBondContact O-N 2.69Å
188G49.1Very low69Low44 Ų4482.4 Ų82.445%0.45440%0.399SS..SBendtrans-153.8169.5-174.500000115.2E186 E190E186-G188 PolarHBondContact O-N 3.29Å; G188-E190 PolarHBondContact O-N 3.29Å
189K40.5Very low68.7Low202 Ų20283.6 Ų83.688%0.87841%0.406SS*.THydrogen-bonded Turntrans-74.2-2.5-176.9-72.4-177177.4179.50114.7
190E44.6Very low68.5Low175 Ų17580.1 Ų80.182%0.81839%0.393SS*.THydrogen-bonded Turntrans-98.217.5-175.7-63.5-177174.200113.4G188 E192G188-E190 PolarHBondContact O-N 3.29Å; E190-E192 PolarHBondContact O-N 2.81Å
191E51.3Low68.5Low42 Ų4280.1 Ų80.120%0.19639%0.393CS..THydrogen-bonded Turntrans-73.7-8.4178.7-74.1-176.5173.400114.1D193 T194 R249 R253E191-D193 VanDerWaalsContact C-N 3.35Å; E191-D193 PolarHBondContact O-N 2.95Å; E191-T194 PolarHBondContact O-OG1 2.89Å; E191-R249 IonicContact OE1-CZ 3.45Å; E191-R249 IonicContact OE1-NH2 2.91Å; E191-R249 PolarHBondContact OE1-NH2 2.86Å; E191-R253 IonicContact OE1-NH1 2.74Å; E191-R253 PolarHBondContact OE1-NH1 2.88Å; E191-R253 WeakPolarHBondContact OE2-CD 3.22Å; E191-R253 IonicContact OE2-CZ 2.7Å; E191-R253 IonicContact OE2-NH1 3.19Å; E191-R253 PolarHBondContact OE2-NH1 2.82Å
192E46.9Very low68.7Low168 Ų16880 Ų8079%0.78539%0.393SS*.THydrogen-bonded Turntrans-70.7-27.6-175.7-72.5-174.6166.600113.1E190E190-E192 PolarHBondContact O-N 2.81Å
193D47.7Very low68.9Low167 Ų16779.8 Ų79.889%0.89339%0.391SS*.SBendtrans-111.4-0.5-174.3-93.3-20.3000115.2E191E191-D193 VanDerWaalsContact C-N 3.35Å; E191-D193 PolarHBondContact O-N 2.95Å
194T57.1Low69.4Low43 Ų4379 Ų7926%0.26439%0.387SS..SBendtrans-82.5158.7-179.643.70000113.3E191 K250E191-T194 PolarHBondContact O-OG1 2.89Å; T194-K250 PolarHBondContact O-NZ 2.79Å
195F63.3Low70.7Confident126 Ų12673.5 Ų73.555%0.55336%0.363SS*.  trans-60.7149.1174.1-108.5-101.8000111.1L158 L197L158-F195 HydrophobicContact CD1-CD1 3.74Å; L158-F195 HydrophobicContact CD1-CE1 3.92Å; L158-F195 HydrophobicContact CD1-CG 4.35Å; F195-L197 PolarHBondContact O-N 2.82Å
196A71.7Confident72.2Confident39 Ų3971.6 Ų71.632%0.32235%0.353SS..SBendtrans-74-17178.600000113.6V247 K250A196-V247 HydrophobicContact CB-CG2 4.19Å; A196-K250 HydrophobicContact CB-CD 3.82Å
197L80.9Confident74.1Confident39 Ų3966.6 Ų66.620%0.20433%0.329CS..SBendtrans-94.2138.7179.8-66.8174.8000109.9L158 Q160 F195 Q243 V247L158-L197 HydrophobicContact CB-CD1 4.44Å; L158-L197 HydrophobicContact CD2-CB 4.26Å; Q160-L197 HydrophobicContact CG-CD1 4.36Å; F195-L197 PolarHBondContact O-N 2.82Å; L197-Q243 HydrophobicContact CD2-CB 3.94Å; L197-Q243 HydrophobicContact CD2-CG 4.07Å; L197-V247 HydrophobicContact CD2-CG2 3.94Å
198P87.4Confident75.9Confident5 Ų568.3 Ų68.33%0.03234%0.336CS..PPolyproline II helixtrans-69.5151.9175.128.5-28.7000110.5F200 Q243P198-F200 HydrophobicContact CB-CE2 4.37Å; P198-F200 HydrophobicContact CG-CE2 3.66Å; P198-F200 HydrophobicContact CG-CZ 3.97Å; P198-F200 WeakPolarHBondContact O-CD2 3.49Å; P198-Q243 HydrophobicContact CG-CG 4.3Å
199V90.4Very high77.5Confident25 Ų2573.3 Ų73.315%0.15235%0.347CS..PPolyproline II helixtrans-82.8135.6173.5178.20000109.3V156 L158 L183V156-V199 HydrophobicContact CG1-CG1 3.63Å; L158-V199 HydrophobicContact CD2-CG2 4.25Å; L183-V199 WeakPolarHBondContact CB-O 3.28Å; L183-V199 HydrophobicContact CD1-CB 4.32Å; L183-V199 HydrophobicContact CD1-CG1 3.91Å; L183-V199 PolarHBondContact N-O 3.39Å
200F94.2Very high79.4Confident0 Ų068.3 Ų68.30%034%0.335CS..EExtended strand (participates in β ladder)trans-114.7149.1174.3-66.7-96.8000111.5V156 T157 A159 L180 H181 C182 P198 M218 V239 Q243V156-F200 WeakPolarHBondContact CA-O 3.43Å; T157-F200 HydrophobicContact CG2-CB 4.28Å; T157-F200 PolarHBondContact N-O 2.87Å; T157-F200 PolarHBondContact O-N 3.39Å; A159-F200 HydrophobicContact CB-CB 4.04Å; A159-F200 HydrophobicContact CB-CD2 3.47Å; A159-F200 VanDerWaalsContact CB-CD2 3.47Å; A159-F200 HydrophobicContact CB-CE2 4Å; A159-F200 HydrophobicContact CB-CG 3.81Å; L180-F200 HydrophobicContact CD2-CB 4.24Å; L180-F200 HydrophobicContact CD2-CD1 3.86Å; L180-F200 HydrophobicContact CD2-CG 4.29Å; H181-F200 CarbonylContact O-C 3.21Å; H181-F200 WeakPolarHBondContact O-CA 3.24Å; C182-F200 HydrophobicContact CB-CD1 3.88Å; C182-F200 HydrophobicContact CB-CE1 3.57Å; C182-F200 HydrophobicContact CB-CZ 4.31Å; P198-F200 HydrophobicContact CB-CE2 4.37Å; P198-F200 HydrophobicContact CG-CE2 3.66Å; P198-F200 HydrophobicContact CG-CZ 3.97Å; P198-F200 WeakPolarHBondContact O-CD2 3.49Å; F200-M218 HydrophobicContact CE1-CE 3.88Å; F200-V239 HydrophobicContact CE1-CG1 4.21Å; F200-V239 HydrophobicContact CE1-CG2 4.35Å; F200-V239 HydrophobicContact CE2-CG1 4.25Å; F200-V239 HydrophobicContact CZ-CG1 3.9Å; F200-Q243 HydrophobicContact CE2-CG 3.9Å; F200-Q243 HydrophobicContact CZ-CG 4.21Å
201V96.5Very high80.9Confident0 Ų064.7 Ų64.70%032%0.32CS..EExtended strand (participates in β ladder)trans-113.7106.9164.6-170.80000108.9V41 V154 C155 V156 L180 H181 L183 V203V41-V201 HydrophobicContact CB-CG2 4.37Å; V41-V201 HydrophobicContact CG1-CB 3.86Å; V41-V201 HydrophobicContact CG1-CG1 3.77Å; V41-V201 HydrophobicContact CG1-CG2 4.07Å; V154-V201 HydrophobicContact CG1-CG1 3.64Å; C155-V201 CarbonylContact O-C 3.51Å; C155-V201 VanDerWaalsContact O-CA 3.32Å; C155-V201 WeakPolarHBondContact O-CA 3.45Å; V156-V201 HydrophobicContact CG2-CG2 4.31Å; L180-V201 WeakPolarHBondContact CA-O 3.36Å; H181-V201 HydrophobicContact CB-CB 4.25Å; H181-V201 PolarHBondContact N-O 2.88Å; H181-V201 PolarHBondContact O-N 2.93Å; L183-V201 HydrophobicContact CD1-CG2 3.94Å; L183-V201 HydrophobicContact CD2-CG2 4.07Å; L183-V201 HydrophobicContact CG-CG2 4.14Å; V201-V203 HydrophobicContact CG1-CG2 4.13Å
202L97.8Very high82.3Confident0 Ų068.9 Ų68.90%035%0.35CS..EExtended strand (participates in β ladder)trans-80.6121.9172173.566.9000109.2V154 C155 I164 A167 V168 V178 L180V154-L202 CarbonylContact C-O 3.54Å; V154-L202 WeakPolarHBondContact CA-O 3.29Å; C155-L202 HydrophobicContact CB-CB 4.22Å; C155-L202 PolarHBondContact N-O 2.86Å; C155-L202 PolarHBondContact O-N 3.48Å; I164-L202 HydrophobicContact CD1-CD1 4.13Å; I164-L202 HydrophobicContact CD1-CD2 4.07Å; I164-L202 HydrophobicContact CD1-CG 4.48Å; A167-L202 HydrophobicContact CB-CD2 3.63Å; V168-L202 HydrophobicContact CG2-CD1 4.48Å; V178-L202 HydrophobicContact CG1-CD1 3.7Å; L180-L202 HydrophobicContact CD1-CD1 4.06Å; L180-L202 HydrophobicContact CG-CD1 4.02Å
203V98Very high84Confident2 Ų264.8 Ų64.81%0.01234%0.337CS..EExtended strand (participates in β ladder)trans-117.5112.6177.6-177.30000109.2Y45 Y153 R179 V201Y45-V203 HydrophobicContact CD1-CG1 3.65Å; Y45-V203 HydrophobicContact CD1-CG2 4.44Å; Y45-V203 HydrophobicContact CD2-CG1 4.37Å; Y45-V203 HydrophobicContact CD2-CG2 3.69Å; Y45-V203 HydrophobicContact CE1-CG1 3.94Å; Y45-V203 HydrophobicContact CE2-CG2 3.85Å; Y45-V203 HydrophobicContact CG-CG1 3.89Å; Y45-V203 HydrophobicContact CG-CG2 4.03Å; Y153-V203 CarbonylContact O-C 3.53Å; Y153-V203 WeakPolarHBondContact O-CA 3.39Å; R179-V203 PolarHBondContact N-O 3.43Å; R179-V203 PolarHBondContact O-N 2.79Å; V201-V203 HydrophobicContact CG1-CG2 4.13Å
204C98.1Very high86Confident0 Ų059.2 Ų59.20%031%0.31CS..EExtended strand (participates in β ladder)trans-110.7121.4177.5-58.70000109.5R152 Y153 F171 W176 A177R152-C204 CarbonylContact C-O 3.53Å; R152-C204 WeakPolarHBondContact CA-O 3.42Å; Y153-C204 PolarHBondContact N-O 2.8Å; Y153-C204 PolarHBondContact O-N 3.31Å; F171-C204 HydrophobicContact CB-CB 4.23Å; F171-C204 HydrophobicContact CD1-CB 3.86Å; F171-C204 HydrophobicContact CD2-CB 3.88Å; F171-C204 WeakPolarHBondContact CD2-SG 3.45Å; F171-C204 HydrophobicContact CE1-CB 4.16Å; F171-C204 HydrophobicContact CE2-CB 4.18Å; F171-C204 HydrophobicContact CG-CB 3.72Å; F171-C204 VanDerWaalsContact CG-SG 3.6Å; F171-C204 HydrophobicContact CZ-CB 4.31Å; W176-C204 HydrophobicContact CE3-CB 3.78Å; W176-C204 HydrophobicContact CZ3-CB 4.3Å; A177-C204 CarbonylContact O-C 3.26Å; A177-C204 VanDerWaalsContact O-CA 3.24Å; A177-C204 WeakPolarHBondContact O-CA 3.26Å
205T97.6Very high87.8Confident26 Ų2658.7 Ų58.716%0.1631%0.305CS..EExtended strand (participates in β ladder)trans-107.3122.3-178.3-55.90000111.3R152 W176 A177 F207R152-T205 HydrophobicContact CG-CG2 4.36Å; W176-T205 WeakPolarHBondContact CA-O 3.31Å; W176-T205 VanDerWaalsContact CB-O 3.28Å; W176-T205 WeakPolarHBondContact CB-O 3.39Å; A177-T205 PolarHBondContact N-O 3.46Å; A177-T205 VanDerWaalsContact N-O 3.13Å; A177-T205 PolarHBondContact O-N 3.38Å; T205-F207 PolarHBondContact O-N 3.07Å
206K96.8Very high89.3Confident42 Ų4252.7 Ų52.718%0.18328%0.279CS..  trans-72.4122.1-179.3-171.5169.2-174.2177.20111.5G144 L147 G150 G151 W176G144-K206 PolarHBondContact O-NZ 3.31Å; L147-K206 HydrophobicContact CB-CD 4.37Å; L147-K206 WeakPolarHBondContact O-CD 3.42Å; L147-K206 PolarHBondContact O-NZ 3.33Å; G150-K206 WeakPolarHBondContact CA-O 3.26Å; G150-K206 PolarHBondContact N-O 3.06Å; G151-K206 PolarHBondContact O-N 3.23Å; W176-K206 VanDerWaalsContact CD2-CA 3.45Å; W176-K206 HydrophobicContact CD2-CB 3.85Å; W176-K206 HydrophobicContact CD2-CG 4.27Å; W176-K206 HydrophobicContact CE3-CB 3.97Å; W176-K206 HydrophobicContact CH2-CB 3.65Å; W176-K206 HydrophobicContact CH2-CD 3.94Å; W176-K206 HydrophobicContact CH2-CG 4.03Å; W176-K206 HydrophobicContact CZ2-CB 3.51Å; W176-K206 HydrophobicContact CZ2-CD 3.44Å; W176-K206 VanDerWaalsContact CZ2-CD 3.44Å; W176-K206 HydrophobicContact CZ2-CG 3.41Å; W176-K206 VanDerWaalsContact CZ2-CG 3.41Å; W176-K206 HydrophobicContact CZ3-CB 3.87Å
207F93.8Very high90.5Very high78 Ų7851.8 Ų51.834%0.34227%0.268SS..  trans-101.3161169.7-68.9-59.6000112.1A177 T205 Q209 M211 I215A177-F207 HydrophobicContact CB-CD2 4.47Å; A177-F207 HydrophobicContact CB-CE2 3.49Å; A177-F207 VanDerWaalsContact CB-CE2 3.49Å; A177-F207 HydrophobicContact CB-CZ 4.03Å; T205-F207 PolarHBondContact O-N 3.07Å; F207-Q209 WeakPolarHBondContact CB-O 3.38Å; F207-M211 HydrophobicContact CD2-CG 4.37Å; F207-I215 HydrophobicContact CE2-CD1 4.13Å; F207-I215 HydrophobicContact CZ-CD1 4.3Å
208R89.5Confident91.2Very high212 Ų21250.2 Ų50.280%0.826%0.259SS*.SBendtrans-70.9-35.7176.5-172.7177.6-77-118.5-0.1111.7V149V149-R208 HydrophobicContact CG1-CB 3.92Å; V149-R208 HydrophobicContact CG2-CB 4.48Å
209Q83.7Confident91.4Very high149 Ų14950.1 Ų50.170%0.69626%0.259SS*.SBendtrans-137.3147.8179.3-70.4-177.2-20.900108.9F207 M211F207-Q209 WeakPolarHBondContact CB-O 3.38Å; Q209-M211 PolarHBondContact O-N 3.12Å
210P80.1Confident91.3Very high96 Ų9651 Ų5162%0.62326%0.264SS*.  trans-58.7135.6173.4-20.131.6000110.7
211M76.1Confident90.6Very high100 Ų10051.4 Ų51.449%0.49327%0.269SS..  trans-74.3147.7172.4-68.8-69.6-72.400110.1F207 Q209 T213F207-M211 HydrophobicContact CD2-CG 4.37Å; Q209-M211 PolarHBondContact O-N 3.12Å; M211-T213 WeakPolarHBondContact CB-O 3.43Å; M211-T213 PolarHBondContact O-N 3.3Å; M211-T213 VanDerWaalsContact O-N 3.17Å
212P79.9Confident89.6Confident129 Ų12954 Ų5484%0.83828%0.282SS*.SBendtrans-57.4-31.6177.4-24.433.1000113.4
213T83.9Confident88.6Confident82 Ų8260.8 Ų60.850%0.50332%0.319SS..SBendtrans-123.2131.117455.10000108.9M211M211-T213 WeakPolarHBondContact CB-O 3.43Å; M211-T213 PolarHBondContact O-N 3.3Å; M211-T213 VanDerWaalsContact O-N 3.17Å
214P88.5Confident87.6Confident51 Ų5161.7 Ų61.733%0.33133%0.329SS..  trans-61.8148.6176.328.1-34.5000110.6V172 L216 R228V172-P214 HydrophobicContact CG1-CB 4.15Å; P214-L216 HydrophobicContact CB-CD1 4.42Å; P214-L216 HydrophobicContact CB-CD2 4.32Å; P214-L216 HydrophobicContact CB-CG 4.08Å; P214-L216 HydrophobicContact CG-CD1 4.21Å; P214-L216 HydrophobicContact CG-CG 4.35Å; P214-R228 PolarHBondContact O-NH2 3.16Å
215I94.9Very high87.1Confident31 Ų3165.6 Ų65.616%0.15936%0.361CS..  trans-97.5108170.4-62.9170.4000105.8A177 V178 F207 E217A177-I215 HydrophobicContact CB-CB 3.78Å; A177-I215 HydrophobicContact CB-CD1 4.16Å; A177-I215 HydrophobicContact CB-CG2 4Å; V178-I215 PolarHBondContact N-O 3.05Å; V178-I215 VanDerWaalsContact O-O 3.1Å; F207-I215 HydrophobicContact CE2-CD1 4.13Å; F207-I215 HydrophobicContact CZ-CD1 4.3Å; I215-E217 HydrophobicContact CG2-CG 4.18Å
216L96.7Very high86.7Confident0 Ų067.6 Ų67.60%037%0.374CS..EExtended strand (participates in β ladder)trans-123.6113.4-179.1-57.9176.8000107.5V172 V178 P214 R228 H229 V232 L235V172-L216 HydrophobicContact CG2-CD2 3.53Å; V178-L216 HydrophobicContact CB-CD2 4.14Å; V178-L216 WeakPolarHBondContact O-CA 3.48Å; P214-L216 HydrophobicContact CB-CD1 4.42Å; P214-L216 HydrophobicContact CB-CD2 4.32Å; P214-L216 HydrophobicContact CB-CG 4.08Å; P214-L216 HydrophobicContact CG-CD1 4.21Å; P214-L216 HydrophobicContact CG-CG 4.35Å; L216-R228 WeakPolarHBondContact O-CA 3.4Å; L216-H229 HydrophobicContact CB-CB 4.14Å; L216-H229 PolarHBondContact O-N 3.18Å; L216-V232 HydrophobicContact CD1-CG2 4.1Å; L216-V232 HydrophobicContact CD2-CG2 4.48Å; L216-L235 HydrophobicContact CB-CD2 4.16Å; L216-L235 HydrophobicContact CD2-CD2 4.22Å
217E96.5Very high86.5Confident21 Ų2169.7 Ų69.710%0.09839%0.39CS..EExtended strand (participates in β ladder)trans-136.8145.6-173.8-67.9175.4173.300112.3V178 R179 L180 I215 P226 V227 R228V178-E217 PolarHBondContact O-N 3.1Å; R179-E217 CarbonylContact C-O 3.59Å; R179-E217 VanDerWaalsContact CA-O 3.29Å; R179-E217 WeakPolarHBondContact CA-O 3.37Å; R179-E217 HydrophobicContact CB-CB 4.34Å; R179-E217 HydrophobicContact CG-CB 4.04Å; R179-E217 IonicContact CZ-OE2 3.26Å; R179-E217 IonicContact NE-OE2 2.67Å; R179-E217 PolarHBondContact NE-OE2 3.3Å; R179-E217 IonicContact NH2-OE2 3.57Å; R179-E217 PolarHBondContact NH2-OE2 2.79Å; L180-E217 PolarHBondContact N-O 3.44Å; I215-E217 HydrophobicContact CG2-CG 4.18Å; E217-P226 HydrophobicContact CB-CB 4.23Å; E217-P226 HydrophobicContact CG-CB 4.33Å; E217-V227 CarbonylContact C-O 3.55Å; E217-V227 VanDerWaalsContact CA-O 3.24Å; E217-V227 WeakPolarHBondContact CA-O 3.4Å; E217-R228 HydrophobicContact CG-CB 4.28Å; E217-R228 HydrophobicContact CG-CG 4.31Å
218M94.6Very high86.5Confident5 Ų572.4 Ų72.43%0.02540%0.398CS..EExtended strand (participates in β ladder)trans-124.3133.3171.4-173.4167.1172.400109.9L180 C182 F200 V227 L235 A238 V239 Y242L180-M218 CarbonylContact O-C 3.59Å; L180-M218 WeakPolarHBondContact O-CA 3.5Å; C182-M218 HydrophobicContact CB-CE 3.9Å; F200-M218 HydrophobicContact CE1-CE 3.88Å; M218-V227 PolarHBondContact N-O 3.33Å; M218-V227 PolarHBondContact O-N 3.48Å; M218-L235 HydrophobicContact CB-CD1 3.95Å; M218-A238 HydrophobicContact SD-CB 3.69Å; M218-V239 HydrophobicContact SD-CG2 4.37Å; M218-Y242 HydrophobicContact CE-CD1 4.13Å; M218-Y242 HydrophobicContact CE-CD2 3.22Å; M218-Y242 HydrophobicContact CE-CE1 4.49Å; M218-Y242 HydrophobicContact CE-CE2 3.65Å; M218-Y242 HydrophobicContact CE-CG 3.5Å; M218-Y242 VanDerWaalsContact CE-CG 3.5Å; M218-Y242 HydrophobicContact SD-CD2 4.18Å; M218-Y242 HydrophobicContact SD-CE2 4.38Å
219C93.1Very high86.7Confident3 Ų363.7 Ų63.72%0.0237%0.367CS..EExtended strand (participates in β ladder)trans-117.3144.6176.3-530000108.6L180 H181 C182L180-C219 PolarHBondContact O-N 2.8Å; H181-C219 VanDerWaalsContact CE1-SG 3.57Å; H181-C219 WeakPolarHBondContact ND1-CB 3.44Å; C182-C219 PolarHBondContact N-O 3.38Å
220V86.4Confident87.1Confident44 Ų4461.5 Ų61.527%0.26736%0.363SS..EExtended strand (participates in β ladder)trans-108.7117.8175.1-1740000108.5Q184 G224 Y242Q184-V220 HydrophobicContact CG-CG1 4.19Å; V220-G224 VanDerWaalsContact O-CA 3.22Å; V220-G224 WeakPolarHBondContact O-CA 3.14Å; V220-G224 PolarHBondContact O-N 3.15Å; V220-Y242 HydrophobicContact CG1-CE1 4.14Å; V220-Y242 HydrophobicContact CG2-CE1 3.78Å; V220-Y242 WeakPolarHBondContact CG2-OH 3.35Å
221G80.9Confident87.7Confident9 Ų962.2 Ų62.29%0.09336%0.358CS..SBendtrans69.8-178.4-168.500000113C182C182-G221 PolarHBondContact O-N 3.29Å
222D75.5Confident88.6Confident54 Ų5458.9 Ų58.929%0.28934%0.344SS..THydrogen-bonded Turntrans-70.9-36-169.5-57.31.5000112.9V41 K44V41-D222 HydrophobicContact CG2-CB 4.01Å; K44-D222 PolarHBondContact NZ-O 3.46Å
223D75.9Confident89.3Confident143 Ų14356.1 Ų56.177%0.76533%0.326SS*.THydrogen-bonded Turntrans-11515.4-177.2-70.8-38.5000113.7K44K44-D223 IonicContact NZ-OD1 2.62Å; K44-D223 PolarHBondContact NZ-OD1 3.24Å
224G78.4Confident89.8Confident21 Ų2155.8 Ų55.822%0.21632%0.319CS..PPolyproline II helixtrans-57.2139.9173.400000112V220V220-G224 VanDerWaalsContact O-CA 3.22Å; V220-G224 WeakPolarHBondContact O-CA 3.14Å; V220-G224 PolarHBondContact O-N 3.15Å
225A86.1Confident90.1Very high82 Ų8253.4 Ų53.468%0.67830%0.304SS*.PPolyproline II helixtrans-62.5133.7171.600000109.7V227A225-V227 PolarHBondContact O-N 3.19Å
226P90.5Very high90.2Very high68 Ų6853 Ų5344%0.44230%0.302SS..PPolyproline II helixtrans-68.5125.8179.926.4-32.5000110.7E217E217-P226 HydrophobicContact CB-CB 4.23Å; E217-P226 HydrophobicContact CG-CB 4.33Å
227V91.9Very high90Very high85 Ų8554.8 Ų54.852%0.51531%0.314SS..EExtended strand (participates in β ladder)trans-91.5122.5168.3-179.40000107.9E217 M218 A225E217-V227 CarbonylContact C-O 3.55Å; E217-V227 VanDerWaalsContact CA-O 3.24Å; E217-V227 WeakPolarHBondContact CA-O 3.4Å; M218-V227 PolarHBondContact N-O 3.33Å; M218-V227 PolarHBondContact O-N 3.48Å; A225-V227 PolarHBondContact O-N 3.19Å
228R93.8Very high89.8Confident135 Ų13554.3 Ų54.351%0.50931%0.314SS..EExtended strand (participates in β ladder)trans-93.7133.9-176.7-171.5161.2-178.8166.9-1.6111.4P214 L216 E217P214-R228 PolarHBondContact O-NH2 3.16Å; L216-R228 WeakPolarHBondContact O-CA 3.4Å; E217-R228 HydrophobicContact CG-CB 4.28Å; E217-R228 HydrophobicContact CG-CG 4.31Å
229H93.4Very high89.7Confident30 Ų3054.1 Ų54.114%0.13931%0.313CS..EExtended strand (participates in β ladder)trans-109.4151.2176.7-60.9-83.6000110.4L216 E234 L235L216-H229 HydrophobicContact CB-CB 4.14Å; L216-H229 PolarHBondContact O-N 3.18Å; H229-E234 HydrophobicContact CB-CB 4.15Å; H229-L235 HydrophobicContact CB-CB 4.22Å
230T91.6Very high89.6Confident102 Ų10259.4 Ų59.463%0.62633%0.332SS*.SBendtrans-93.4-29.2-17866.80000112E234T230-E234 PolarHBondContact N-OE2 3.43Å; T230-E234 VanDerWaalsContact OG1-CD 3.32Å; T230-E234 PolarHBondContact OG1-OE1 3.32Å; T230-E234 PolarHBondContact OG1-OE2 2.7Å
231Q93.7Very high89.7Confident111 Ų11163 Ų6352%0.51935%0.346SS..SBendtrans-128.5153.3-177.4-60.9-175.6-19.900111.9C233 E234 L235Q231-C233 VanDerWaalsContact C-N 3.29Å; Q231-C233 VanDerWaalsContact CB-SG 3.57Å; Q231-C233 PolarHBondContact O-N 2.81Å; Q231-C233 PolarHBondContact OE1-SG 3.31Å; Q231-E234 HydrophobicContact CB-CG 4.19Å; Q231-E234 PolarHBondContact N-OE2 3.29Å; Q231-E234 PolarHBondContact O-N 2.87Å; Q231-L235 PolarHBondContact O-N 3.33Å
232V94.7Very high90.1Very high31 Ų3166.7 Ų66.719%0.18836%0.358CS..Hα-helixtrans-60.1-40.4176.6171.60000111V168 E169 V172 L216 E234 L235 L236V168-V232 HydrophobicContact CG1-CG1 3.76Å; V168-V232 HydrophobicContact CG1-CG2 4.19Å; E169-V232 HydrophobicContact CG-CG1 4.15Å; V172-V232 HydrophobicContact CB-CG2 4.37Å; V172-V232 HydrophobicContact CG1-CG2 4.14Å; V172-V232 HydrophobicContact CG2-CG2 4.06Å; L216-V232 HydrophobicContact CD1-CG2 4.1Å; L216-V232 HydrophobicContact CD2-CG2 4.48Å; V232-E234 VanDerWaalsContact C-N 3.3Å; V232-E234 PolarHBondContact O-N 2.87Å; V232-L235 PolarHBondContact O-N 3.11Å; V232-L236 HydrophobicContact CG1-CD1 3.72Å; V232-L236 HydrophobicContact CG1-CG 4.06Å; V232-L236 WeakPolarHBondContact O-CB 3.32Å; V232-L236 VanDerWaalsContact O-CG 3.28Å; V232-L236 WeakPolarHBondContact O-CG 3.37Å; V232-L236 PolarHBondContact O-N 3.08Å
233C95Very high90.7Very high70 Ų7065 Ų6547%0.47335%0.348SS..Hα-helixtrans-61.4-35.1178.457.10000113.1Q231 S237Q231-C233 VanDerWaalsContact C-N 3.29Å; Q231-C233 VanDerWaalsContact CB-SG 3.57Å; Q231-C233 PolarHBondContact O-N 2.81Å; Q231-C233 PolarHBondContact OE1-SG 3.31Å; C233-S237 WeakPolarHBondContact O-CB 3.36Å; C233-S237 PolarHBondContact O-N 2.92Å
234E94Very high91.2Very high76 Ų7661 Ų6136%0.35534%0.336SS..Hα-helixtrans-67.1-45.9176.4-66174.916600111.2H229 T230 Q231 V232 S237 A238H229-E234 HydrophobicContact CB-CB 4.15Å; T230-E234 PolarHBondContact N-OE2 3.43Å; T230-E234 VanDerWaalsContact OG1-CD 3.32Å; T230-E234 PolarHBondContact OG1-OE1 3.32Å; T230-E234 PolarHBondContact OG1-OE2 2.7Å; Q231-E234 HydrophobicContact CB-CG 4.19Å; Q231-E234 PolarHBondContact N-OE2 3.29Å; Q231-E234 PolarHBondContact O-N 2.87Å; V232-E234 VanDerWaalsContact C-N 3.3Å; V232-E234 PolarHBondContact O-N 2.87Å; E234-S237 WeakPolarHBondContact O-CB 3.35Å; E234-S237 PolarHBondContact O-N 2.9Å; E234-A238 PolarHBondContact O-N 2.91Å
235L95.2Very high91.6Very high0 Ų062.9 Ų62.90%034%0.336CS..Hα-helixtrans-61.7-44.4175.9177.763.5000111.2V168 V178 L180 L216 M218 H229 Q231 V232 S237 A238 V239V168-L235 HydrophobicContact CG1-CD2 4.18Å; V168-L235 HydrophobicContact CG2-CD2 4.49Å; V178-L235 HydrophobicContact CG1-CD2 4.17Å; L180-L235 HydrophobicContact CD1-CD1 3.96Å; L180-L235 HydrophobicContact CD1-CD2 3.75Å; L180-L235 HydrophobicContact CD1-CG 4.03Å; L216-L235 HydrophobicContact CB-CD2 4.16Å; L216-L235 HydrophobicContact CD2-CD2 4.22Å; M218-L235 HydrophobicContact CB-CD1 3.95Å; H229-L235 HydrophobicContact CB-CB 4.22Å; Q231-L235 PolarHBondContact O-N 3.33Å; V232-L235 PolarHBondContact O-N 3.11Å; L235-S237 VanDerWaalsContact C-N 3.33Å; L235-S237 PolarHBondContact O-N 2.78Å; L235-A238 PolarHBondContact O-N 2.82Å; L235-V239 WeakPolarHBondContact O-CG2 3.46Å; L235-V239 PolarHBondContact O-N 3Å
236L95.5Very high91.5Very high23 Ų2360.6 Ų60.612%0.1232%0.316CS..Hα-helixtrans-66.6-33.2176.8-65.5177.6000112.2I164 K165 V168 V232 R240I164-L236 HydrophobicContact CG1-CD2 4.23Å; I164-L236 HydrophobicContact CG2-CD2 3.87Å; K165-L236 HydrophobicContact CB-CD1 4.09Å; K165-L236 HydrophobicContact CB-CD2 4.48Å; K165-L236 HydrophobicContact CG-CD1 3.96Å; V168-L236 HydrophobicContact CG2-CD2 4.43Å; V232-L236 HydrophobicContact CG1-CD1 3.72Å; V232-L236 HydrophobicContact CG1-CG 4.06Å; V232-L236 WeakPolarHBondContact O-CB 3.32Å; V232-L236 VanDerWaalsContact O-CG 3.28Å; V232-L236 WeakPolarHBondContact O-CG 3.37Å; V232-L236 PolarHBondContact O-N 3.08Å; L236-R240 WeakPolarHBondContact O-CG 3.33Å; L236-R240 PolarHBondContact O-N 3.2Å; L236-R240 VanDerWaalsContact O-N 3.1Å; L236-R240 PolarHBondContact O-NE 3.18Å
237S93.6Very high91.2Very high37 Ų3760.1 Ų60.126%0.25931%0.311SS..Hα-helixtrans-63.2-47.1171.4-160.60000110.9C233 E234 L235 V239 R240 E241C233-S237 WeakPolarHBondContact O-CB 3.36Å; C233-S237 PolarHBondContact O-N 2.92Å; E234-S237 WeakPolarHBondContact O-CB 3.35Å; E234-S237 PolarHBondContact O-N 2.9Å; L235-S237 VanDerWaalsContact C-N 3.33Å; L235-S237 PolarHBondContact O-N 2.78Å; S237-V239 PolarHBondContact O-N 3.44Å; S237-R240 PolarHBondContact O-N 3.04Å; S237-R240 VanDerWaalsContact O-N 3.14Å; S237-E241 WeakPolarHBondContact O-CG 3.37Å; S237-E241 PolarHBondContact O-N 3.36Å; S237-E241 PolarHBondContact OG-OE1 3.4Å
238A91.9Very high90.8Very high11 Ų1157.5 Ų57.59%0.09129%0.294CS..Hα-helixtrans-58.5-45.5177.700000111.6M218 E234 L235 R240 E241 Y242M218-A238 HydrophobicContact SD-CB 3.69Å; E234-A238 PolarHBondContact O-N 2.91Å; L235-A238 PolarHBondContact O-N 2.82Å; A238-R240 VanDerWaalsContact C-N 3.35Å; A238-R240 PolarHBondContact O-N 3.07Å; A238-E241 PolarHBondContact O-N 3Å; A238-Y242 VanDerWaalsContact O-CD2 3.31Å; A238-Y242 WeakPolarHBondContact O-CD2 3.19Å; A238-Y242 PolarHBondContact O-N 2.99Å
239V92Very high90.3Very high1 Ų153.1 Ų53.11%0.00628%0.278CS..Hα-helixtrans-57.3-47.2175173.60000111.5A159 I164 L180 F200 M218 L235 S237 E241 Y242 Q243A159-V239 HydrophobicContact CB-CG1 3.97Å; I164-V239 HydrophobicContact CG2-CG1 4.43Å; L180-V239 HydrophobicContact CD2-CG2 3.88Å; F200-V239 HydrophobicContact CE1-CG1 4.21Å; F200-V239 HydrophobicContact CE1-CG2 4.35Å; F200-V239 HydrophobicContact CE2-CG1 4.25Å; F200-V239 HydrophobicContact CZ-CG1 3.9Å; M218-V239 HydrophobicContact SD-CG2 4.37Å; L235-V239 WeakPolarHBondContact O-CG2 3.46Å; L235-V239 PolarHBondContact O-N 3Å; S237-V239 PolarHBondContact O-N 3.44Å; V239-E241 PolarHBondContact O-N 3.45Å; V239-Y242 PolarHBondContact O-N 2.93Å; V239-Q243 WeakPolarHBondContact O-CG 3.39Å; V239-Q243 PolarHBondContact O-N 3.35Å
240R91.8Very high89.7Confident114 Ų11454.3 Ų54.343%0.4328%0.283SS..Hα-helixtrans-63.2-39.9178.4-74.5-177.1-63.1169.49.3112.6E161 L236 S237 A238 Q243 A244E161-R240 WeakPolarHBondContact OE1-CD 3.4Å; E161-R240 IonicContact OE1-CZ 3.24Å; E161-R240 IonicContact OE1-NE 3.88Å; E161-R240 IonicContact OE1-NH1 4Å; E161-R240 PolarHBondContact OE1-NH1 3.46Å; E161-R240 VanDerWaalsContact OE1-NH1 3.08Å; L236-R240 WeakPolarHBondContact O-CG 3.33Å; L236-R240 PolarHBondContact O-N 3.2Å; L236-R240 VanDerWaalsContact O-N 3.1Å; L236-R240 PolarHBondContact O-NE 3.18Å; S237-R240 PolarHBondContact O-N 3.04Å; S237-R240 VanDerWaalsContact O-N 3.14Å; A238-R240 VanDerWaalsContact C-N 3.35Å; A238-R240 PolarHBondContact O-N 3.07Å; R240-Q243 PolarHBondContact O-N 3.27Å; R240-A244 VanDerWaalsContact O-CB 3.27Å; R240-A244 WeakPolarHBondContact O-CB 3.1Å; R240-A244 PolarHBondContact O-N 3.13Å
241E89.1Confident89.3Confident119 Ų11955.8 Ų55.856%0.55628%0.277SS*.Hα-helixtrans-63-43.4177-74.2163.7-148.100111.5S237 A238 V239 A244 Y245S237-E241 WeakPolarHBondContact O-CG 3.37Å; S237-E241 PolarHBondContact O-N 3.36Å; S237-E241 PolarHBondContact OG-OE1 3.4Å; A238-E241 PolarHBondContact O-N 3Å; V239-E241 PolarHBondContact O-N 3.45Å; E241-A244 PolarHBondContact O-N 2.94Å; E241-Y245 VanDerWaalsContact O-CB 3.3Å; E241-Y245 WeakPolarHBondContact O-CB 3.44Å; E241-Y245 PolarHBondContact O-N 2.91Å
242Y87.4Confident89Confident87 Ų8750.6 Ų50.634%0.34125%0.252SS..Hα-helixtrans-65.8-41.6175.4-88.4-95.1000112.4M218 V220 A238 V239 Y245 S246M218-Y242 HydrophobicContact CE-CD1 4.13Å; M218-Y242 HydrophobicContact CE-CD2 3.22Å; M218-Y242 HydrophobicContact CE-CE1 4.49Å; M218-Y242 HydrophobicContact CE-CE2 3.65Å; M218-Y242 HydrophobicContact CE-CG 3.5Å; M218-Y242 VanDerWaalsContact CE-CG 3.5Å; M218-Y242 HydrophobicContact SD-CD2 4.18Å; M218-Y242 HydrophobicContact SD-CE2 4.38Å; V220-Y242 HydrophobicContact CG1-CE1 4.14Å; V220-Y242 HydrophobicContact CG2-CE1 3.78Å; V220-Y242 WeakPolarHBondContact CG2-OH 3.35Å; A238-Y242 VanDerWaalsContact O-CD2 3.31Å; A238-Y242 WeakPolarHBondContact O-CD2 3.19Å; A238-Y242 PolarHBondContact O-N 2.99Å; V239-Y242 PolarHBondContact O-N 2.93Å; Y242-Y245 PolarHBondContact O-N 3.48Å; Y242-S246 PolarHBondContact O-N 2.97Å; Y242-S246 PolarHBondContact O-OG 3.06Å
243Q88.1Confident88.3Confident18 Ų1851.7 Ų51.78%0.08425%0.253CS..Hα-helixtrans-61.6-47.8174.2-73.7173.1-32.900111.5L158 A159 L197 P198 F200 V239 R240 Y245 S246 V247L158-Q243 PolarHBondContact O-NE2 2.92Å; A159-Q243 VanDerWaalsContact C-NE2 3.29Å; A159-Q243 PolarHBondContact O-NE2 3.06Å; L197-Q243 HydrophobicContact CD2-CB 3.94Å; L197-Q243 HydrophobicContact CD2-CG 4.07Å; P198-Q243 HydrophobicContact CG-CG 4.3Å; F200-Q243 HydrophobicContact CE2-CG 3.9Å; F200-Q243 HydrophobicContact CZ-CG 4.21Å; V239-Q243 WeakPolarHBondContact O-CG 3.39Å; V239-Q243 PolarHBondContact O-N 3.35Å; R240-Q243 PolarHBondContact O-N 3.27Å; Q243-Y245 VanDerWaalsContact C-N 3.31Å; Q243-Y245 PolarHBondContact O-N 2.84Å; Q243-S246 PolarHBondContact O-N 3.49Å; Q243-V247 WeakPolarHBondContact O-CG2 3.41Å; Q243-V247 PolarHBondContact O-N 3.24Å
244A87.1Confident87.6Confident61 Ų6152.4 Ų52.450%0.50426%0.256SS..Hα-helixtrans-60.6-41.8178.100000111.5R240 E241 V247 L248R240-A244 VanDerWaalsContact O-CB 3.27Å; R240-A244 WeakPolarHBondContact O-CB 3.1Å; R240-A244 PolarHBondContact O-N 3.13Å; E241-A244 PolarHBondContact O-N 2.94Å; A244-V247 PolarHBondContact O-N 2.56Å; A244-L248 VanDerWaalsContact O-CB 3.31Å; A244-L248 WeakPolarHBondContact O-CB 3.27Å; A244-L248 PolarHBondContact O-N 3.16Å
245Y86.6Confident87.1Confident59 Ų5951.3 Ų51.323%0.23126%0.256CS..Hα-helixtrans-64-43.9176.7-177-111.2000112.5E241 Y242 Q243 L248 R249 L264 D355E241-Y245 VanDerWaalsContact O-CB 3.3Å; E241-Y245 WeakPolarHBondContact O-CB 3.44Å; E241-Y245 PolarHBondContact O-N 2.91Å; Y242-Y245 PolarHBondContact O-N 3.48Å; Q243-Y245 VanDerWaalsContact C-N 3.31Å; Q243-Y245 PolarHBondContact O-N 2.84Å; Y245-L248 WeakPolarHBondContact O-CB 3.17Å; Y245-L248 PolarHBondContact O-N 2.86Å; Y245-R249 WeakPolarHBondContact O-CB 3.39Å; Y245-R249 PolarHBondContact O-N 3Å; Y245-L264 HydrophobicContact CD2-CD1 3.88Å; Y245-L264 HydrophobicContact CD2-CD2 4.33Å; Y245-L264 HydrophobicContact CE2-CD1 4.13Å; Y245-L264 HydrophobicContact CE2-CD2 3.73Å; Y245-D355 WeakPolarHBondContact OH-CB 3.44Å; Y245-D355 PolarHBondContact OH-OD2 3.44Å
246S84.1Confident86.6Confident34 Ų3453 Ų5324%0.23827%0.267CS..Hα-helixtrans-62.9-43.2175.8-67.10000112.5Y242 Q243 L248 R249 K250Y242-S246 PolarHBondContact O-N 2.97Å; Y242-S246 PolarHBondContact O-OG 3.06Å; Q243-S246 PolarHBondContact O-N 3.49Å; S246-L248 PolarHBondContact O-N 2.83Å; S246-R249 PolarHBondContact O-N 3.1Å; S246-K250 WeakPolarHBondContact O-CB 3.46Å; S246-K250 PolarHBondContact O-N 3.15Å
247V84Confident86.1Confident58 Ų5855.2 Ų55.235%0.35228%0.279SS..Hα-helixtrans-62.5-43.6175.3171.30000111A196 L197 Q243 A244 K250 R251A196-V247 HydrophobicContact CB-CG2 4.19Å; L197-V247 HydrophobicContact CD2-CG2 3.94Å; Q243-V247 WeakPolarHBondContact O-CG2 3.41Å; Q243-V247 PolarHBondContact O-N 3.24Å; A244-V247 PolarHBondContact O-N 2.56Å; V247-K250 PolarHBondContact O-N 3.24Å; V247-R251 WeakPolarHBondContact O-CB 3.44Å; V247-R251 PolarHBondContact O-N 3.28Å
248L84.9Confident85.5Confident31 Ų3155 Ų5516%0.16228%0.277CS..Hα-helixtrans-59.5-50.9176175.764.8000111.1A244 Y245 S246 K250 R251 L252 L262A244-L248 VanDerWaalsContact O-CB 3.31Å; A244-L248 WeakPolarHBondContact O-CB 3.27Å; A244-L248 PolarHBondContact O-N 3.16Å; Y245-L248 WeakPolarHBondContact O-CB 3.17Å; Y245-L248 PolarHBondContact O-N 2.86Å; S246-L248 PolarHBondContact O-N 2.83Å; L248-K250 VanDerWaalsContact C-N 3.35Å; L248-K250 PolarHBondContact O-N 2.8Å; L248-R251 PolarHBondContact O-N 2.66Å; L248-L252 HydrophobicContact CD1-CD1 3.88Å; L248-L252 HydrophobicContact CD1-CG 4.03Å; L248-L252 HydrophobicContact CG-CD1 3.9Å; L248-L252 HydrophobicContact CG-CG 4.39Å; L248-L252 WeakPolarHBondContact O-CB 3.38Å; L248-L252 VanDerWaalsContact O-CG 3.31Å; L248-L252 WeakPolarHBondContact O-CG 3.19Å; L248-L252 PolarHBondContact O-N 3.45Å; L248-L262 HydrophobicContact CD1-CB 4.47Å; L248-L262 HydrophobicContact CD1-CD1 4.01Å; L248-L262 HydrophobicContact CD1-CD2 3.89Å; L248-L262 HydrophobicContact CD1-CG 4.35Å
249R83.7Confident84.9Confident43 Ų4357.2 Ų57.216%0.16230%0.3CS..Hα-helixtrans-56.5-47.9177.7174179.3147.5-176.7-6.1111.1E191 Y245 S246 R251 L252 R253 D355E191-R249 IonicContact OE1-CZ 3.45Å; E191-R249 IonicContact OE1-NH2 2.91Å; E191-R249 PolarHBondContact OE1-NH2 2.86Å; Y245-R249 WeakPolarHBondContact O-CB 3.39Å; Y245-R249 PolarHBondContact O-N 3Å; S246-R249 PolarHBondContact O-N 3.1Å; R249-R251 PolarHBondContact O-N 3.03Å; R249-L252 PolarHBondContact O-N 2.91Å; R249-R253 VanDerWaalsContact CZ-NH1 3.31Å; R249-R253 VanDerWaalsContact NE-NH2 3.14Å; R249-R253 WeakPolarHBondContact O-CG 3.22Å; R249-R253 PolarHBondContact O-N 2.86Å; R249-D355 HydrophobicContact CG-CB 4.47Å
250K80.8Confident84.3Confident55 Ų5558.2 Ų58.224%0.23931%0.307CS..Hα-helixtrans-61.8-45.6178.4-172172.6-174-178.10111.6T194 A196 S246 V247 L248 L252 R253 T254T194-K250 PolarHBondContact O-NZ 2.79Å; A196-K250 HydrophobicContact CB-CD 3.82Å; S246-K250 WeakPolarHBondContact O-CB 3.46Å; S246-K250 PolarHBondContact O-N 3.15Å; V247-K250 PolarHBondContact O-N 3.24Å; L248-K250 VanDerWaalsContact C-N 3.35Å; L248-K250 PolarHBondContact O-N 2.8Å; K250-L252 PolarHBondContact O-N 3.41Å; K250-R253 PolarHBondContact O-N 3.21Å; K250-T254 HydrophobicContact CG-CG2 4.46Å; K250-T254 WeakPolarHBondContact O-CB 3.43Å; K250-T254 WeakPolarHBondContact O-CG2 3.43Å; K250-T254 PolarHBondContact O-N 3.45Å; K250-T254 VanDerWaalsContact O-N 3.11Å; K250-T254 PolarHBondContact O-OG1 3.31Å
251R82.9Confident83.6Confident132 Ų13255.5 Ų55.550%0.49831%0.305SS..Hα-helixtrans-57.6-51.2176.1178.9-174.9-82.3-168-4.2110.5V247 L248 R249 R253 T254 S255V247-R251 WeakPolarHBondContact O-CB 3.44Å; V247-R251 PolarHBondContact O-N 3.28Å; L248-R251 PolarHBondContact O-N 2.66Å; R249-R251 PolarHBondContact O-N 3.03Å; R251-R253 VanDerWaalsContact C-N 3.26Å; R251-R253 PolarHBondContact O-N 2.61Å; R251-T254 PolarHBondContact O-N 2.79Å; R251-T254 PolarHBondContact O-OG1 2.86Å; R251-S255 PolarHBondContact O-N 3.01Å; R251-S255 PolarHBondContact O-OG 3Å
252L86.1Confident83.6Confident2 Ų251.6 Ų51.61%0.0129%0.288CS..Hα-helixtrans-61.3-32.5-178.4-73.1177.5000113.2L248 R249 K250 L262 V280 R327 L356 P359L248-L252 HydrophobicContact CD1-CD1 3.88Å; L248-L252 HydrophobicContact CD1-CG 4.03Å; L248-L252 HydrophobicContact CG-CD1 3.9Å; L248-L252 HydrophobicContact CG-CG 4.39Å; L248-L252 WeakPolarHBondContact O-CB 3.38Å; L248-L252 VanDerWaalsContact O-CG 3.31Å; L248-L252 WeakPolarHBondContact O-CG 3.19Å; L248-L252 PolarHBondContact O-N 3.45Å; R249-L252 PolarHBondContact O-N 2.91Å; K250-L252 PolarHBondContact O-N 3.41Å; L252-L262 HydrophobicContact CD2-CD1 3.81Å; L252-V280 HydrophobicContact CD1-CG2 4.24Å; L252-V280 HydrophobicContact CD2-CG1 4.01Å; L252-V280 HydrophobicContact CD2-CG2 4.49Å; L252-R327 PolarHBondContact O-NH1 3.13Å; L252-R327 PolarHBondContact O-NH2 2.88Å; L252-L356 HydrophobicContact CD1-CB 4.35Å; L252-L356 HydrophobicContact CD1-CD2 3.55Å; L252-P359 WeakPolarHBondContact O-CD 3.46Å
253R81.1Confident83.7Confident55 Ų5550.6 Ų50.621%0.20829%0.294CS..Hα-helixtrans-79.7-23.2177.8-74.6-177.5-179.3179.50.8114.6E191 R249 K250 R251 D355 P359E191-R253 IonicContact OE1-NH1 2.74Å; E191-R253 PolarHBondContact OE1-NH1 2.88Å; E191-R253 WeakPolarHBondContact OE2-CD 3.22Å; E191-R253 IonicContact OE2-CZ 2.7Å; E191-R253 IonicContact OE2-NH1 3.19Å; E191-R253 PolarHBondContact OE2-NH1 2.82Å; R249-R253 VanDerWaalsContact CZ-NH1 3.31Å; R249-R253 VanDerWaalsContact NE-NH2 3.14Å; R249-R253 WeakPolarHBondContact O-CG 3.22Å; R249-R253 PolarHBondContact O-N 2.86Å; K250-R253 PolarHBondContact O-N 3.21Å; R251-R253 VanDerWaalsContact C-N 3.26Å; R251-R253 PolarHBondContact O-N 2.61Å; R253-D355 IonicContact NH2-OD1 3.47Å; R253-D355 PolarHBondContact NH2-OD1 2.93Å; R253-P359 VanDerWaalsContact O-CA 3.27Å; R253-P359 WeakPolarHBondContact O-CA 3.37Å; R253-P359 WeakPolarHBondContact O-CB 3.35Å
254T80.3Confident83.9Confident85 Ų8551.1 Ų51.152%0.52130%0.297SS..Hα-helixtrans-103.3-20.6-175.352.60000112.9K250 R251K250-T254 HydrophobicContact CG-CG2 4.46Å; K250-T254 WeakPolarHBondContact O-CB 3.43Å; K250-T254 WeakPolarHBondContact O-CG2 3.43Å; K250-T254 PolarHBondContact O-N 3.45Å; K250-T254 VanDerWaalsContact O-N 3.11Å; K250-T254 PolarHBondContact O-OG1 3.31Å; R251-T254 PolarHBondContact O-N 2.79Å; R251-T254 PolarHBondContact O-OG1 2.86Å
255S82.3Confident84.2Confident53 Ų5351.4 Ų51.437%0.37129%0.293SS..  trans-146.5166.2-178.8710000113.9R251 R327R251-S255 PolarHBondContact O-N 3.01Å; R251-S255 PolarHBondContact O-OG 3Å; S255-R327 PolarHBondContact O-NH2 3.47Å
256T84.6Confident84.4Confident35 Ų3550 Ų5022%0.21529%0.289CS..  trans-122137170.456.30000109.6D282 R326 P359T256-D282 WeakPolarHBondContact CA-OD2 3.27Å; T256-D282 WeakPolarHBondContact CB-OD2 3.27Å; T256-R326 PolarHBondContact OG1-NH2 3.28Å; T256-P359 HydrophobicContact CG2-CG 4.13Å
257D85.5Confident84.7Confident70 Ų7051.9 Ų51.937%0.37430%0.302SS..  trans-134.396.8-178.8-175.4-7.5000111.6G259 S260 D282D257-G259 PolarHBondContact O-N 3.45Å; D257-G259 PolarHBondContact OD1-N 2.9Å; D257-S260 PolarHBondContact O-N 3.06Å; D257-S260 PolarHBondContact O-OG 2.7Å; D257-S260 PolarHBondContact OD1-N 2.91Å; D257-S260 WeakPolarHBondContact OD2-CB 3.17Å; D257-D282 PolarHBondContact N-OD2 3.02Å
258P82.2Confident84.9Confident33 Ų3350.7 Ų50.721%0.21429%0.293CS..THydrogen-bonded Turntrans-66.2-22.1179.8-14.225.9000114.2Q281 P284P258-Q281 PolarHBondContact O-NE2 3.36Å; P258-P284 HydrophobicContact CB-CG 4.35Å
259G79.4Confident84.6Confident57 Ų5754.4 Ų54.459%0.58833%0.328SS*.THydrogen-bonded Turntrans-83.3-23.3-179.100000112.8D257D257-G259 PolarHBondContact O-N 3.45Å; D257-G259 PolarHBondContact OD1-N 2.9Å
260S79.6Confident84.5Confident21 Ų2161.9 Ų61.915%0.14736%0.362CS..  trans-77.1142.5178.875.20000112.7D257D257-S260 PolarHBondContact O-N 3.06Å; D257-S260 PolarHBondContact O-OG 2.7Å; D257-S260 PolarHBondContact OD1-N 2.91Å; D257-S260 WeakPolarHBondContact OD2-CB 3.17Å
261S76.4Confident84.7Confident57 Ų5763.1 Ų63.140%0.39937%0.374SS..  trans-112.972.9167.9177.60000108.2
262L88.4Confident84.8Confident37 Ų3759.2 Ų59.219%0.19438%0.375CS..EExtended strand (participates in β ladder)trans-75.2133.1179.7-69.3164.1000109.9L248 L252 T279 V280L248-L262 HydrophobicContact CD1-CB 4.47Å; L248-L262 HydrophobicContact CD1-CD1 4.01Å; L248-L262 HydrophobicContact CD1-CD2 3.89Å; L248-L262 HydrophobicContact CD1-CG 4.35Å; L252-L262 HydrophobicContact CD2-CD1 3.81Å; L262-T279 CarbonylContact O-C 3.53Å; L262-T279 WeakPolarHBondContact O-CA 3.37Å; L262-V280 HydrophobicContact CB-CB 4.31Å; L262-V280 PolarHBondContact O-N 3.41Å
263S90.4Very high84.8Confident66 Ų6663.9 Ų63.946%0.46240%0.4SS..EExtended strand (participates in β ladder)trans-134.2140179.7-173.80000111.3T277 L278S263-T277 WeakPolarHBondContact OG-CG2 3.22Å; S263-L278 CarbonylContact C-O 3.57Å; S263-L278 VanDerWaalsContact CA-O 3.31Å; S263-L278 WeakPolarHBondContact CA-O 3.2Å
264L91.5Very high85.2Confident30 Ų3063.8 Ų63.816%0.15741%0.406CS..EExtended strand (participates in β ladder)trans-126131.3177.5177.572.3000108.9Y245 L266 T277 L278Y245-L264 HydrophobicContact CD2-CD1 3.88Å; Y245-L264 HydrophobicContact CD2-CD2 4.33Å; Y245-L264 HydrophobicContact CE2-CD1 4.13Å; Y245-L264 HydrophobicContact CE2-CD2 3.73Å; L264-L266 HydrophobicContact CD2-CD2 3.71Å; L264-L266 HydrophobicContact CG-CD2 4.04Å; L264-T277 CarbonylContact O-C 3.51Å; L264-T277 WeakPolarHBondContact O-CA 3.48Å; L264-L278 HydrophobicContact CB-CB 4.47Å; L264-L278 PolarHBondContact N-O 3.39Å; L264-L278 PolarHBondContact O-N 3.02Å
265T92.7Very high85.9Confident67 Ų6761.1 Ų61.141%0.41139%0.387SS..EExtended strand (participates in β ladder)trans-101.8124.9173.4-62.50000109.9P274 Y276 T277T265-P274 HydrophobicContact CG2-CB 3.77Å; T265-P274 HydrophobicContact CG2-CG 4.23Å; T265-Y276 CarbonylContact C-O 3.58Å; T265-Y276 WeakPolarHBondContact CA-O 3.45Å; T265-T277 PolarHBondContact OG1-OG1 3.34Å
266L91.9Very high86.5Confident30 Ų3058.7 Ų58.716%0.15737%0.369CS..EExtended strand (participates in β ladder)trans-97.2125.8173.8-54.8-176.7000108.9L264 R275 Y276 L278 L349 V352L264-L266 HydrophobicContact CD2-CD2 3.71Å; L264-L266 HydrophobicContact CG-CD2 4.04Å; L266-R275 WeakPolarHBondContact O-CA 3.32Å; L266-R275 WeakPolarHBondContact O-CB 3.26Å; L266-R275 PolarHBondContact O-N 3.38Å; L266-Y276 HydrophobicContact CB-CD2 4.37Å; L266-Y276 HydrophobicContact CD1-CD2 4.42Å; L266-Y276 PolarHBondContact N-O 2.74Å; L266-Y276 PolarHBondContact O-N 3.04Å; L266-L278 HydrophobicContact CD1-CD1 3.77Å; L266-L278 HydrophobicContact CD1-CG 4.18Å; L266-L278 HydrophobicContact CG-CD1 4.23Å; L266-L278 HydrophobicContact CG-CG 4.36Å; L266-L349 HydrophobicContact CD1-CD2 3.81Å; L266-V352 HydrophobicContact CD1-CB 4.31Å; L266-V352 HydrophobicContact CD1-CG1 3.88Å; L266-V352 HydrophobicContact CD2-CG1 3.79Å
267C89.7Confident86.9Confident73 Ų7358.2 Ų58.249%0.49337%0.366SS..EExtended strand (participates in β ladder)trans-95.4151.2178.4-63.10000111.5A269 G272 L273C267-A269 PolarHBondContact O-N 3.42Å; C267-G272 WeakPolarHBondContact CB-O 3.18Å; C267-L273 CarbonylContact C-O 3.51Å; C267-L273 WeakPolarHBondContact CA-O 3.44Å
268N88.6Confident87.4Confident32 Ų3254.9 Ų54.917%0.17135%0.349CS..PPolyproline II helixtrans-66.2124.8170.6-176.8-53.1000109.4K270 T271 G272 L273 R275 Q337N268-K270 PolarHBondContact O-N 3.17Å; N268-K270 VanDerWaalsContact O-N 3.11Å; N268-K270 PolarHBondContact OD1-N 3.03Å; N268-T271 WeakPolarHBondContact CB-OG1 3.21Å; N268-T271 PolarHBondContact O-N 3.02Å; N268-T271 PolarHBondContact OD1-N 3.31Å; N268-G272 WeakPolarHBondContact O-CA 3.38Å; N268-G272 PolarHBondContact O-N 3.32Å; N268-L273 PolarHBondContact N-O 2.59Å; N268-R275 HydrophobicContact CB-CB 4.35Å; N268-Q337 PolarHBondContact ND2-OE1 2.9Å
269A79.7Confident88Confident109 Ų10953.7 Ų53.790%0.90134%0.341SS*.THydrogen-bonded Turntrans-59.8-25.8-175.600000114.4C267C267-A269 PolarHBondContact O-N 3.42Å
270K81.6Confident88.7Confident200 Ų20051.3 Ų51.387%0.8732%0.315SS*.THydrogen-bonded Turntrans-89-41.3-179.3-65.3-178.1179.3177.70112.8N268N268-K270 PolarHBondContact O-N 3.17Å; N268-K270 VanDerWaalsContact O-N 3.11Å; N268-K270 PolarHBondContact OD1-N 3.03Å
271T84.8Confident89.4Confident81 Ų8150.6 Ų50.650%0.49731%0.309SS..THydrogen-bonded Turntrans-99.9-16.2-172.565.60000113.4N268 L273N268-T271 WeakPolarHBondContact CB-OG1 3.21Å; N268-T271 PolarHBondContact O-N 3.02Å; N268-T271 PolarHBondContact OD1-N 3.31Å; T271-L273 PolarHBondContact O-N 2.95Å; T271-L273 VanDerWaalsContact O-N 3.14Å; T271-L273 PolarHBondContact OG1-N 3.45Å
272G83.4Confident90.1Very high51 Ų5148.1 Ų48.153%0.52629%0.292SS..  trans70.7-3.8-173.100000114.2C267 N268C267-G272 WeakPolarHBondContact CB-O 3.18Å; N268-G272 WeakPolarHBondContact O-CA 3.38Å; N268-G272 PolarHBondContact O-N 3.32Å
273L87Confident90.2Very high100 Ų10047 Ų4752%0.52429%0.287SS..  trans-77.9146-177.3-62.5171.4000111.4C267 N268 T271 R275C267-L273 CarbonylContact C-O 3.51Å; C267-L273 WeakPolarHBondContact CA-O 3.44Å; N268-L273 PolarHBondContact N-O 2.59Å; T271-L273 PolarHBondContact O-N 2.95Å; T271-L273 VanDerWaalsContact O-N 3.14Å; T271-L273 PolarHBondContact OG1-N 3.45Å; L273-R275 PolarHBondContact O-N 2.98Å
274P90.4Very high89.9Confident53 Ų5347.3 Ų47.334%0.34429%0.287SS..EExtended strand (participates in β ladder)trans-49.8131.6171.7-28.936.7000111.8T265 H334 Q337T265-P274 HydrophobicContact CG2-CB 3.77Å; T265-P274 HydrophobicContact CG2-CG 4.23Å; P274-H334 WeakPolarHBondContact O-CB 3.4Å; P274-Q337 PolarHBondContact O-NE2 2.98Å
275R93.6Very high89.2Confident28 Ų2850.7 Ų50.711%0.10631%0.311CS..EExtended strand (participates in β ladder)trans-120.7-47.3-179.2-169.1172171.773.92.3111.2L266 N268 L273 H334 Q337 E338 Y339 E348L266-R275 WeakPolarHBondContact O-CA 3.32Å; L266-R275 WeakPolarHBondContact O-CB 3.26Å; L266-R275 PolarHBondContact O-N 3.38Å; N268-R275 HydrophobicContact CB-CB 4.35Å; L273-R275 PolarHBondContact O-N 2.98Å; R275-H334 PolarHBondContact O-N 3.37Å; R275-Q337 HydrophobicContact CB-CG 4.49Å; R275-Q337 HydrophobicContact CG-CG 4.25Å; R275-Q337 VanDerWaalsContact NH1-OE1 3.07Å; R275-E338 PolarHBondContact NH1-O 3.49Å; R275-E338 PolarHBondContact NH2-O 3.06Å; R275-Y339 HydrophobicContact CG-CE1 4.11Å; R275-Y339 PolarHBondContact O-OH 2.99Å; R275-E348 VanDerWaalsContact CD-OE1 3.27Å; R275-E348 WeakPolarHBondContact CD-OE1 3.42Å; R275-E348 IonicContact CZ-OE1 3.29Å; R275-E348 IonicContact CZ-OE2 2.81Å; R275-E348 IonicContact NE-OE1 3.06Å; R275-E348 PolarHBondContact NE-OE1 2.56Å; R275-E348 IonicContact NE-OE2 2.83Å; R275-E348 PolarHBondContact NE-OE2 3.27Å; R275-E348 IonicContact NH2-OE1 3.74Å; R275-E348 IonicContact NH2-OE2 3.82Å; R275-E348 PolarHBondContact NH2-OE2 3.01Å
276Y94.6Very high88.4Confident2 Ų251 Ų511%0.00833%0.327CS..EExtended strand (participates in β ladder)trans-128.2148.7173.1-54.9-84.5000111.2T265 L266 S332 M333 Y339 V345 E348 L349T265-Y276 CarbonylContact C-O 3.58Å; T265-Y276 WeakPolarHBondContact CA-O 3.45Å; L266-Y276 HydrophobicContact CB-CD2 4.37Å; L266-Y276 HydrophobicContact CD1-CD2 4.42Å; L266-Y276 PolarHBondContact N-O 2.74Å; L266-Y276 PolarHBondContact O-N 3.04Å; Y276-S332 CarbonylContact C-O 3.4Å; Y276-S332 WeakPolarHBondContact CA-O 3.46Å; Y276-M333 HydrophobicContact CD1-CG 3.92Å; Y276-M333 HydrophobicContact CE1-CG 3.74Å; Y276-Y339 HydrophobicContact CD1-CE1 4.38Å; Y276-Y339 HydrophobicContact CE1-CD1 4.09Å; Y276-Y339 AromaticContact CE1-CE1 3.55Å; Y276-Y339 HydrophobicContact CE1-CE1 3.55Å; Y276-Y339 HydrophobicContact CE2-CE1 4.45Å; Y276-Y339 AromaticContact CZ-CE1 3.59Å; Y276-Y339 WeakPolarHBondContact OH-CD1 3.44Å; Y276-Y339 WeakPolarHBondContact OH-CE1 3.45Å; Y276-V345 HydrophobicContact CE1-CG1 3.99Å; Y276-E348 HydrophobicContact CE2-CG 4.25Å; Y276-E348 WeakPolarHBondContact CE2-OE1 3.34Å; Y276-E348 PolarHBondContact OH-OE2 3.48Å; Y276-E348 VanDerWaalsContact OH-OE2 3.06Å; Y276-L349 HydrophobicContact CD1-CD1 4.37Å; Y276-L349 HydrophobicContact CD1-CD2 4.17Å; Y276-L349 HydrophobicContact CD2-CD2 3.8Å; Y276-L349 HydrophobicContact CE1-CD1 4.35Å; Y276-L349 HydrophobicContact CE1-CD2 4.43Å; Y276-L349 HydrophobicContact CE1-CG 4.46Å; Y276-L349 HydrophobicContact CE2-CD2 4.09Å; Y276-L349 HydrophobicContact CG-CD2 3.84Å
277T94.3Very high87.9Confident25 Ų2551.4 Ų51.415%0.15334%0.335CS..EExtended strand (participates in β ladder)trans-116.8120.6161.4-68.60000108.5S263 L264 T265 S332 H334S263-T277 WeakPolarHBondContact OG-CG2 3.22Å; L264-T277 CarbonylContact O-C 3.51Å; L264-T277 WeakPolarHBondContact O-CA 3.48Å; T265-T277 PolarHBondContact OG1-OG1 3.34Å; T277-S332 PolarHBondContact N-O 3.47Å; T277-S332 PolarHBondContact O-N 2.94Å; T277-H334 PolarHBondContact OG1-NE2 3.32Å
278L95.2Very high87.7Confident0 Ų057.5 Ų57.50%035%0.353CS..EExtended strand (participates in β ladder)trans-102.7111.9179.8-56-171.5000108.7S263 L264 L266 V329 I330 A331 L349 V353 L356S263-L278 CarbonylContact C-O 3.57Å; S263-L278 VanDerWaalsContact CA-O 3.31Å; S263-L278 WeakPolarHBondContact CA-O 3.2Å; L264-L278 HydrophobicContact CB-CB 4.47Å; L264-L278 PolarHBondContact N-O 3.39Å; L264-L278 PolarHBondContact O-N 3.02Å; L266-L278 HydrophobicContact CD1-CD1 3.77Å; L266-L278 HydrophobicContact CD1-CG 4.18Å; L266-L278 HydrophobicContact CG-CD1 4.23Å; L266-L278 HydrophobicContact CG-CG 4.36Å; L278-V329 HydrophobicContact CB-CG1 3.89Å; L278-V329 HydrophobicContact CD1-CG1 4.46Å; L278-V329 HydrophobicContact CD2-CG1 4.23Å; L278-V329 HydrophobicContact CG-CG1 4.42Å; L278-I330 WeakPolarHBondContact CA-O 3.2Å; L278-A331 HydrophobicContact CD2-CB 3.54Å; L278-L349 HydrophobicContact CD2-CD2 4.24Å; L278-V353 HydrophobicContact CD1-CG1 4.18Å; L278-L356 HydrophobicContact CB-CD1 4.32Å; L278-L356 HydrophobicContact CD1-CD1 3.79Å
279T94.8Very high87.6Confident9 Ų957.6 Ų57.66%0.05535%0.354CS..EExtended strand (participates in β ladder)trans-100.4124.1174.2-52.70000109.8L262 V329 I330L262-T279 CarbonylContact O-C 3.53Å; L262-T279 WeakPolarHBondContact O-CA 3.37Å; T279-V329 CarbonylContact O-C 3.48Å; T279-V329 WeakPolarHBondContact O-CA 3.17Å; T279-I330 PolarHBondContact N-O 3.34Å; T279-I330 PolarHBondContact O-N 2.82Å
280V94.4Very high88Confident6 Ų654.9 Ų54.94%0.03633%0.328CS..EExtended strand (participates in β ladder)trans-89.7128.3178.6-174.80000109.6L252 L262 R327 V329 L356L252-V280 HydrophobicContact CD1-CG2 4.24Å; L252-V280 HydrophobicContact CD2-CG1 4.01Å; L252-V280 HydrophobicContact CD2-CG2 4.49Å; L262-V280 HydrophobicContact CB-CB 4.31Å; L262-V280 PolarHBondContact O-N 3.41Å; V280-R327 HydrophobicContact CG1-CG 3.88Å; V280-V329 HydrophobicContact CG2-CG2 4.3Å; V280-L356 HydrophobicContact CG2-CD1 4.38Å
281Q94Very high88Confident6 Ų656.4 Ų56.43%0.02833%0.328CS..EExtended strand (participates in β ladder)trans-127114174.5-16960.263.500110.3P258 A320 L328P258-Q281 PolarHBondContact O-NE2 3.36Å; Q281-A320 HydrophobicContact CB-CB 3.96Å; Q281-A320 HydrophobicContact CG-CB 3.4Å; Q281-A320 VanDerWaalsContact CG-CB 3.4Å; Q281-L328 PolarHBondContact N-O 3.31Å; Q281-L328 PolarHBondContact O-N 3.4Å
282D92.3Very high88.1Confident6 Ų656.3 Ų56.33%0.03233%0.331CS..EExtended strand (participates in β ladder)trans-90.7146.3176-78.8-33.3000112T256 D257 R327T256-D282 WeakPolarHBondContact CA-OD2 3.27Å; T256-D282 WeakPolarHBondContact CB-OD2 3.27Å; D257-D282 PolarHBondContact N-OD2 3.02Å; D282-R327 WeakPolarHBondContact OD1-CB 3.39Å; D282-R327 WeakPolarHBondContact OD1-CG 3.36Å; D282-R327 IonicContact OD1-CZ 3.27Å; D282-R327 IonicContact OD1-NE 3.75Å; D282-R327 PolarHBondContact OD1-NE 3.23Å; D282-R327 IonicContact OD1-NH2 2.75Å; D282-R327 PolarHBondContact OD1-NH2 3.23Å; D282-R327 IonicContact OD2-CZ 3.86Å; D282-R327 IonicContact OD2-NE 3.95Å; D282-R327 IonicContact OD2-NH2 3.65Å; D282-R327 PolarHBondContact OD2-NH2 3.35Å
283C88.6Confident88.4Confident14 Ų1455.6 Ų55.610%0.09532%0.315CS..PPolyproline II helixtrans-82.1143.4175.5-1620000111A287 V289 F325 R326C283-A287 WeakPolarHBondContact SG-CB 3.46Å; C283-V289 HydrophobicContact CB-CG2 4.37Å; C283-F325 WeakPolarHBondContact CB-O 3.48Å; C283-R326 WeakPolarHBondContact CB-O 3.45Å; C283-R326 PolarHBondContact N-O 2.73Å
284P84.7Confident88.6Confident72 Ų7253.1 Ų53.147%0.46830%0.3SS..PPolyproline II helixtrans-54.6145.9177.7-27.735.5000114.1P258 G286 A287 R326P258-P284 HydrophobicContact CB-CG 4.35Å; P284-G286 PolarHBondContact O-N 3.27Å; P284-A287 WeakPolarHBondContact O-CB 3.41Å; P284-A287 PolarHBondContact O-N 3Å; P284-R326 PolarHBondContact O-NH1 2.75Å
285P76.2Confident88.7Confident101 Ų10150.6 Ų50.666%0.65628%0.284SS*.THydrogen-bonded Turntrans-53.5-28.4-178.7-29.334.8000115.7
286G76.1Confident88.8Confident73 Ų7349.2 Ų49.275%0.75328%0.279SS*.THydrogen-bonded Turntrans-92.81.1179.800000115.9P284P284-G286 PolarHBondContact O-N 3.27Å
287A82.3Confident88.9Confident38 Ų3849.1 Ų49.131%0.31428%0.279SS..  trans-72.5136.3-177.500000112.2C283 P284 V289C283-A287 WeakPolarHBondContact SG-CB 3.46Å; P284-A287 WeakPolarHBondContact O-CB 3.41Å; P284-A287 PolarHBondContact O-N 3Å; A287-V289 HydrophobicContact CB-CG2 4.17Å; A287-V289 PolarHBondContact O-N 2.74Å
288K85.9Confident89Confident202 Ų20248.6 Ų48.688%0.87827%0.274SS*.  trans-81.979178.3-67.7-177.1-179.3177.50110.7
289V85.8Confident89.1Confident33 Ų3348.7 Ų48.720%0.227%0.274CS..  trans-91.5135.7177.9-176.10000110.5C283 A287 N293C283-V289 HydrophobicContact CB-CG2 4.37Å; A287-V289 HydrophobicContact CB-CG2 4.17Å; A287-V289 PolarHBondContact O-N 2.74Å; V289-N293 HydrophobicContact CG1-CB 3.88Å; V289-N293 WeakPolarHBondContact CG1-O 3.36Å
290P87.4Confident89Confident52 Ų5248.2 Ų48.234%0.33827%0.272SS..  trans-56.3142172.7-24.533.8000112S292 N293 N324P290-S292 PolarHBondContact O-N 3.36Å; P290-S292 VanDerWaalsContact O-N 3.13Å; P290-N293 HydrophobicContact CB-CB 4.2Å; P290-N293 HydrophobicContact CG-CB 4.44Å; P290-N293 PolarHBondContact O-N 3.36Å; P290-N324 WeakPolarHBondContact CD-ND2 3.46Å
291R82.8Confident88.9Confident232 Ų23248.4 Ų48.488%0.87527%0.273SS*.THydrogen-bonded Turntrans-59-29.5-179.4-74.4-175.1177.9165.9-0.9113.7N293 Q294R291-N293 VanDerWaalsContact C-N 3.28Å; R291-Q294 PolarHBondContact O-NE2 3.14Å; R291-Q294 VanDerWaalsContact O-NE2 3.15Å
292S85.8Confident88.7Confident79 Ų7951 Ų5155%0.55228%0.283SS*.THydrogen-bonded Turntrans-70.9-21.4174.652.50000113.3P290 Q294 Q365P290-S292 PolarHBondContact O-N 3.36Å; P290-S292 VanDerWaalsContact O-N 3.13Å; S292-Q294 PolarHBondContact O-N 2.87Å; S292-Q365 PolarHBondContact O-NE2 3.03Å
293N90.3Very high88.3Confident36 Ų3650.8 Ų50.819%0.19328%0.282CS..  trans-98.755.9-170.6-68.424.1000110.9V289 P290 R291 N324 F325 R326V289-N293 HydrophobicContact CG1-CB 3.88Å; V289-N293 WeakPolarHBondContact CG1-O 3.36Å; P290-N293 HydrophobicContact CB-CB 4.2Å; P290-N293 HydrophobicContact CG-CB 4.44Å; P290-N293 PolarHBondContact O-N 3.36Å; R291-N293 VanDerWaalsContact C-N 3.28Å; N293-N324 WeakPolarHBondContact CB-O 3.31Å; N293-N324 PolarHBondContact ND2-O 2.91Å; N293-N324 VanDerWaalsContact ND2-O 3.11Å; N293-F325 VanDerWaalsContact C-CD1 3.5Å; N293-F325 VanDerWaalsContact CA-CD1 3.49Å; N293-F325 HydrophobicContact CB-CD1 3.56Å; N293-F325 HydrophobicContact CB-CE1 3.71Å; N293-F325 HydrophobicContact CB-CG 4.01Å; N293-F325 HydrophobicContact CB-CZ 4.27Å; N293-F325 CarbonylContact O-C 3.52Å; N293-F325 VanDerWaalsContact O-CA 3.3Å; N293-F325 WeakPolarHBondContact O-CA 3.4Å; N293-R326 PolarHBondContact O-N 3.07Å
294Q90.7Very high88.2Confident48 Ų4851.1 Ų51.122%0.22428%0.284CS..SBendtrans-74.4-44.7178.8-64.6-62.1-22.100111.7R291 S292 R326 R327 P358R291-Q294 PolarHBondContact O-NE2 3.14Å; R291-Q294 VanDerWaalsContact O-NE2 3.15Å; S292-Q294 PolarHBondContact O-N 2.87Å; Q294-R326 VanDerWaalsContact O-CB 3.31Å; Q294-R326 WeakPolarHBondContact O-CB 3.44Å; Q294-R326 PolarHBondContact O-N 3.4Å; Q294-R327 PolarHBondContact O-N 2.67Å; Q294-P358 HydrophobicContact CB-CG 4.49Å
295F93.6Very high88.2Confident0 Ų048.8 Ų48.80%027%0.267CS..EExtended strand (participates in β ladder)trans-147.2138.5-168.4-170.1-140.6000110.6I297 R327 V329 V353 L356 A357 P358 M361 V367 P368F295-I297 HydrophobicContact CE1-CD1 4.22Å; F295-I297 HydrophobicContact CZ-CD1 4.34Å; F295-R327 WeakPolarHBondContact CA-O 3.43Å; F295-R327 HydrophobicContact CD2-CB 3.98Å; F295-R327 HydrophobicContact CD2-CG 3.92Å; F295-R327 HydrophobicContact CE2-CB 4.48Å; F295-R327 HydrophobicContact CE2-CG 3.92Å; F295-V329 HydrophobicContact CE2-CG2 3.62Å; F295-V329 HydrophobicContact CZ-CG2 4Å; F295-V353 WeakPolarHBondContact CE1-O 3.29Å; F295-V353 VanDerWaalsContact CZ-O 3.25Å; F295-V353 WeakPolarHBondContact CZ-O 3.34Å; F295-L356 HydrophobicContact CZ-CB 4.19Å; F295-A357 HydrophobicContact CD1-CB 4.2Å; F295-A357 HydrophobicContact CE1-CB 4.15Å; F295-P358 HydrophobicContact CB-CG 4.17Å; F295-M361 HydrophobicContact CB-CE 4.42Å; F295-M361 HydrophobicContact CB-SD 3.8Å; F295-M361 HydrophobicContact CD1-CE 4.36Å; F295-M361 HydrophobicContact CD1-SD 3.88Å; F295-M361 HydrophobicContact CG-SD 4.22Å; F295-V367 HydrophobicContact CB-CG1 4.37Å; F295-V367 HydrophobicContact CD1-CB 4.28Å; F295-V367 HydrophobicContact CD1-CG1 3.52Å; F295-V367 HydrophobicContact CD1-CG2 3.65Å; F295-V367 HydrophobicContact CE1-CG1 3.99Å; F295-V367 HydrophobicContact CE1-CG2 4.23Å; F295-V367 HydrophobicContact CG-CG1 4.04Å; F295-P368 WeakPolarHBondContact O-CD 3.49Å
296A95.2Very high88.5Confident0 Ų045.5 Ų45.50%025%0.245CC..EExtended strand (participates in β ladder)trans-149.2155.1174.100000111F325 R327 L328 V329 P368 L370A296-F325 HydrophobicContact CB-CB 4.35Å; A296-F325 HydrophobicContact CB-CD1 3.55Å; A296-F325 HydrophobicContact CB-CD2 3.78Å; A296-F325 HydrophobicContact CB-CE1 3.69Å; A296-F325 HydrophobicContact CB-CE2 3.92Å; A296-F325 HydrophobicContact CB-CG 3.61Å; A296-F325 HydrophobicContact CB-CZ 3.88Å; A296-R327 PolarHBondContact N-O 2.7Å; A296-L328 HydrophobicContact CB-CD1 3.82Å; A296-V329 PolarHBondContact O-N 3.05Å; A296-P368 HydrophobicContact CB-CG 3.96Å; A296-L370 HydrophobicContact CB-CD1 4.02Å; A296-L370 HydrophobicContact CB-CG 4.45Å
297I96.6Very high88.8Confident0 Ų043.3 Ų43.30%022%0.22CC..EExtended strand (participates in β ladder)trans-109.9129.2170.8-64.271.4000107.5F295 I299 V329 A331 V353 V367 P368 F369 L370F295-I297 HydrophobicContact CE1-CD1 4.22Å; F295-I297 HydrophobicContact CZ-CD1 4.34Å; I297-I299 HydrophobicContact CG2-CG1 4.33Å; I297-V329 CarbonylContact C-O 3.5Å; I297-V329 WeakPolarHBondContact CA-O 3.43Å; I297-V329 HydrophobicContact CG1-CB 4.39Å; I297-A331 HydrophobicContact CG2-CB 4.03Å; I297-V353 HydrophobicContact CD1-CB 4.04Å; I297-V353 HydrophobicContact CD1-CG2 3.83Å; I297-V353 HydrophobicContact CG1-CB 3.93Å; I297-V353 HydrophobicContact CG1-CG1 3.87Å; I297-V353 HydrophobicContact CG1-CG2 4.08Å; I297-V367 HydrophobicContact CD1-CB 4.16Å; I297-V367 HydrophobicContact CD1-CG1 3.15Å; I297-P368 PolarHBondContact N-O 3.49Å; I297-F369 HydrophobicContact CB-CD1 3.62Å; I297-F369 HydrophobicContact CB-CE1 3.76Å; I297-F369 HydrophobicContact CB-CG 4.24Å; I297-F369 HydrophobicContact CB-CZ 4.45Å; I297-F369 HydrophobicContact CD1-CE1 4.49Å; I297-F369 HydrophobicContact CD1-CZ 4.36Å; I297-F369 HydrophobicContact CG1-CD1 4.31Å; I297-F369 HydrophobicContact CG1-CE1 3.96Å; I297-F369 HydrophobicContact CG1-CZ 4.26Å; I297-F369 HydrophobicContact CG2-CD1 3.65Å; I297-F369 HydrophobicContact CG2-CE1 3.69Å; I297-F369 CarbonylContact O-C 3.5Å; I297-F369 WeakPolarHBondContact O-CA 3.24Å; I297-L370 PolarHBondContact O-N 3.27Å
298F96.6Very high88.8Confident14 Ų1447.1 Ų47.16%0.06123%0.226CC..EExtended strand (participates in β ladder)trans-103.3115.9170.3-168.8-82.4000109.7V300 Y310 L319 L328 V329 I330 A331 L370 V372F298-V300 HydrophobicContact CD1-CG2 4.37Å; F298-Y310 HydrophobicContact CD1-CE1 4.33Å; F298-Y310 HydrophobicContact CE1-CD1 4.01Å; F298-Y310 AromaticContact CE1-CE1 3.38Å; F298-Y310 HydrophobicContact CE1-CE1 3.38Å; F298-Y310 AromaticContact CZ-CE1 3.8Å; F298-Y310 HydrophobicContact CZ-CE1 3.8Å; F298-L319 HydrophobicContact CD1-CD2 3.86Å; F298-L319 HydrophobicContact CD2-CD1 4.22Å; F298-L319 HydrophobicContact CD2-CD2 4.35Å; F298-L319 HydrophobicContact CE1-CD2 3.95Å; F298-L319 HydrophobicContact CE2-CD1 3.81Å; F298-L319 HydrophobicContact CE2-CD2 4.43Å; F298-L319 HydrophobicContact CG-CD2 4.05Å; F298-L319 HydrophobicContact CZ-CD1 3.95Å; F298-L319 HydrophobicContact CZ-CD2 4.21Å; F298-L328 HydrophobicContact CB-CD1 4.07Å; F298-L328 HydrophobicContact CB-CD2 4.2Å; F298-L328 HydrophobicContact CB-CG 4.25Å; F298-V329 PolarHBondContact N-O 2.85Å; F298-I330 HydrophobicContact CB-CG1 4.46Å; F298-I330 CarbonylContact O-C 3.59Å; F298-I330 WeakPolarHBondContact O-CA 3.38Å; F298-A331 PolarHBondContact O-N 2.95Å; F298-L370 CarbonylContact C-O 3.56Å; F298-L370 WeakPolarHBondContact CA-O 3.28Å; F298-L370 HydrophobicContact CD2-CB 3.84Å; F298-L370 HydrophobicContact CE2-CB 4.48Å; F298-V372 HydrophobicContact CZ-CG2 3.79Å
299I96.3Very high88.8Confident1 Ų139.7 Ų39.71%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-87.5118174.6-64.6173.3000108.2I297 P301 A331 M333 M342 V345 Q346 F369 L370 S371 L376I297-I299 HydrophobicContact CG2-CG1 4.33Å; I299-P301 WeakPolarHBondContact O-CD 3.46Å; I299-A331 HydrophobicContact CG1-CB 4.5Å; I299-M333 HydrophobicContact CG2-CE 3.84Å; I299-M342 HydrophobicContact CD1-SD 3.46Å; I299-M342 WeakPolarHBondContact CD1-SD 3.42Å; I299-V345 HydrophobicContact CD1-CG1 3.79Å; I299-Q346 HydrophobicContact CD1-CG 4.33Å; I299-F369 HydrophobicContact CD1-CB 4.5Å; I299-F369 HydrophobicContact CD1-CD1 3.66Å; I299-F369 HydrophobicContact CD1-CE1 4.36Å; I299-F369 HydrophobicContact CD1-CG 4.5Å; I299-F369 HydrophobicContact CG1-CD1 4.08Å; I299-L370 PolarHBondContact N-O 2.96Å; I299-S371 WeakPolarHBondContact O-CB 3.29Å; I299-S371 PolarHBondContact O-OG 3.14Å; I299-L376 HydrophobicContact CG2-CD2 3.99Å
300V93.8Very high88.9Confident0 Ų038.4 Ų38.40%019%0.187CC..PPolyproline II helixtrans-71.2124.3175.9-177.90000109F298 E305 Y310 I330 A331 M333F298-V300 HydrophobicContact CD1-CG2 4.37Å; V300-E305 HydrophobicContact CG1-CB 4.5Å; V300-E305 HydrophobicContact CG1-CG 4.14Å; V300-Y310 HydrophobicContact CG1-CD1 4.24Å; V300-Y310 HydrophobicContact CG1-CD2 3.81Å; V300-Y310 HydrophobicContact CG1-CE2 4.37Å; V300-Y310 HydrophobicContact CG1-CG 3.73Å; V300-Y310 HydrophobicContact CG2-CD1 3.99Å; V300-Y310 HydrophobicContact CG2-CG 4.07Å; V300-I330 HydrophobicContact CG2-CG2 3.53Å; V300-A331 PolarHBondContact N-O 2.81Å; V300-M333 WeakPolarHBondContact O-CE 3.46Å
301P91.6Very high88.7Confident9 Ų938.4 Ų38.46%0.05819%0.188CC..PPolyproline II helixtrans-59.4142.4176.3-23.233.2000112.3I299 G303 S304 V372I299-P301 WeakPolarHBondContact O-CD 3.46Å; P301-G303 PolarHBondContact O-N 2.9Å; P301-S304 PolarHBondContact O-N 3.2Å; P301-V372 HydrophobicContact CG-CB 4.19Å
302R89.3Confident88.8Confident62 Ų6228.6 Ų28.623%0.23416%0.156CC..BIsolated β-bridgetrans-61.7129.8174.9-67.2173.963.3-154.5-6.4109.7E305 M333 L376 W378 R379R302-E305 WeakPolarHBondContact CA-OE1 3.36Å; R302-M333 HydrophobicContact CG-CE 3.64Å; R302-M333 HydrophobicContact CG-SD 4.31Å; R302-L376 WeakPolarHBondContact CB-O 3.48Å; R302-L376 VanDerWaalsContact CG-O 3.22Å; R302-L376 WeakPolarHBondContact CG-O 3.36Å; R302-L376 PolarHBondContact N-O 3.29Å; R302-W378 PolarHBondContact O-N 3.47Å; R302-R379 HydrophobicContact CB-CB 4.25Å; R302-R379 PolarHBondContact NH2-O 3.41Å; R302-R379 VanDerWaalsContact NH2-O 3.13Å
303G85Confident88.8Confident1 Ų127.3 Ų27.31%0.0114%0.144CC..THydrogen-bonded Turntrans92.8-11-175.800000113.5P301 E305 R408P301-G303 PolarHBondContact O-N 2.9Å; G303-E305 VanDerWaalsContact CA-OE2 3.27Å; G303-E305 WeakPolarHBondContact CA-OE2 3.46Å; G303-E305 PolarHBondContact N-OE1 2.83Å; G303-E305 PolarHBondContact N-OE2 3.02Å; G303-R408 PolarHBondContact O-NH1 3.17Å
304S86.2Confident88.5Confident20 Ų2030.4 Ų30.414%0.1416%0.158CC..  trans-103.1-0.2178.3-55.30000113P301 T306 A307 Y310P301-S304 PolarHBondContact O-N 3.2Å; S304-T306 PolarHBondContact O-N 3.49Å; S304-A307 WeakPolarHBondContact O-CB 3.15Å; S304-A307 PolarHBondContact O-N 2.79Å; S304-Y310 VanDerWaalsContact O-CD2 3.23Å; S304-Y310 WeakPolarHBondContact O-CD2 3.45Å
305E85.2Confident88.4Confident23 Ų2328.1 Ų28.111%0.10715%0.147CC..THydrogen-bonded Turntrans-61.6-24.8-169.5-52.890.3153.600113.8V300 R302 G303 S311 R379V300-E305 HydrophobicContact CG1-CB 4.5Å; V300-E305 HydrophobicContact CG1-CG 4.14Å; R302-E305 WeakPolarHBondContact CA-OE1 3.36Å; G303-E305 VanDerWaalsContact CA-OE2 3.27Å; G303-E305 WeakPolarHBondContact CA-OE2 3.46Å; G303-E305 PolarHBondContact N-OE1 2.83Å; G303-E305 PolarHBondContact N-OE2 3.02Å; E305-S311 WeakPolarHBondContact O-CB 3.09Å; E305-R379 IonicContact OE1-CZ 2.67Å; E305-R379 IonicContact OE1-NH1 3.58Å; E305-R379 PolarHBondContact OE1-NH1 2.96Å; E305-R379 IonicContact OE1-NH2 3.62Å; E305-R379 PolarHBondContact OE1-NH2 3.4Å; E305-R379 IonicContact OE2-CZ 3.55Å; E305-R379 IonicContact OE2-NH1 3.62Å; E305-R379 IonicContact OE2-NH2 3.39Å; E305-R379 PolarHBondContact OE2-NH2 3.29Å
306T81.8Confident88.3Confident32 Ų3229.6 Ų29.620%0.19615%0.153CC..THydrogen-bonded Turntrans-84.5-15.1177.356.60000113.2S304 W308 S311 S416 V418S304-T306 PolarHBondContact O-N 3.49Å; T306-W308 PolarHBondContact O-N 3.29Å; T306-S311 PolarHBondContact O-OG 2.92Å; T306-S416 WeakPolarHBondContact CG2-O 3.46Å; T306-V418 HydrophobicContact CG2-CG2 4.05Å
307A82.6Confident88Confident27 Ų2734.2 Ų34.222%0.22317%0.17CC..SBendtrans-60139.1179.900000110.6S304 L309 Y310 S311S304-A307 WeakPolarHBondContact O-CB 3.15Å; S304-A307 PolarHBondContact O-N 2.79Å; A307-L309 PolarHBondContact O-N 3.15Å; A307-Y310 HydrophobicContact CB-CD2 3.93Å; A307-Y310 HydrophobicContact CB-CE2 4.16Å; A307-Y310 PolarHBondContact O-N 3.19Å; A307-S311 PolarHBondContact O-N 2.81Å; A307-S311 PolarHBondContact O-OG 3.44Å; A307-S311 VanDerWaalsContact O-OG 3.07Å
308W83Confident87.7Confident119 Ų11939 Ų3945%0.45119%0.192SC..Hα-helixtrans-51.2-37.2-173175.392.1000113.1T306 Y310 S312 E314 G315 Q318T306-W308 PolarHBondContact O-N 3.29Å; W308-Y310 PolarHBondContact O-N 3.34Å; W308-S312 PolarHBondContact NE1-OG 3.22Å; W308-S312 WeakPolarHBondContact O-CB 3.37Å; W308-S312 PolarHBondContact O-N 2.9Å; W308-S312 VanDerWaalsContact O-N 3.13Å; W308-S312 PolarHBondContact O-OG 2.91Å; W308-E314 HydrophobicContact CH2-CB 4.38Å; W308-E314 HydrophobicContact CH2-CG 4.17Å; W308-E314 HydrophobicContact CZ2-CB 3.74Å; W308-E314 HydrophobicContact CZ2-CG 3.8Å; W308-G315 VanDerWaalsContact CH2-CA 3.5Å; W308-Q318 VanDerWaalsContact CH2-OE1 3.27Å; W308-Q318 HydrophobicContact CZ3-CB 4.47Å; W308-Q318 VanDerWaalsContact CZ3-OE1 3.25Å
309L85.3Confident87.5Confident45 Ų4539 Ų3924%0.23619%0.193CC..Hα-helixtrans-58.5-30179.5-169.265.6000113.4A307 G315 R316 Q318 L319A307-L309 PolarHBondContact O-N 3.15Å; L309-G315 CarbonylContact O-C 3.48Å; L309-R316 PolarHBondContact O-N 3.31Å; L309-R316 VanDerWaalsContact O-N 3.16Å; L309-Q318 HydrophobicContact CD1-CB 4.49Å; L309-L319 HydrophobicContact CD1-CB 3.95Å; L309-L319 HydrophobicContact CD2-CD1 4.18Å; L309-L319 HydrophobicContact CG-CB 4.14Å; L309-L319 HydrophobicContact CG-CD1 4.38Å
310Y88.6Confident87.3Confident6 Ų639.4 Ų39.42%0.02420%0.196CC..Hα-helixtrans-108.9-33.4-176.9-45.7-61.5000112.5F298 V300 S304 A307 W308 R316 L319 V372F298-Y310 HydrophobicContact CD1-CE1 4.33Å; F298-Y310 HydrophobicContact CE1-CD1 4.01Å; F298-Y310 AromaticContact CE1-CE1 3.38Å; F298-Y310 HydrophobicContact CE1-CE1 3.38Å; F298-Y310 AromaticContact CZ-CE1 3.8Å; F298-Y310 HydrophobicContact CZ-CE1 3.8Å; V300-Y310 HydrophobicContact CG1-CD1 4.24Å; V300-Y310 HydrophobicContact CG1-CD2 3.81Å; V300-Y310 HydrophobicContact CG1-CE2 4.37Å; V300-Y310 HydrophobicContact CG1-CG 3.73Å; V300-Y310 HydrophobicContact CG2-CD1 3.99Å; V300-Y310 HydrophobicContact CG2-CG 4.07Å; S304-Y310 VanDerWaalsContact O-CD2 3.23Å; S304-Y310 WeakPolarHBondContact O-CD2 3.45Å; A307-Y310 HydrophobicContact CB-CD2 3.93Å; A307-Y310 HydrophobicContact CB-CE2 4.16Å; A307-Y310 PolarHBondContact O-N 3.19Å; W308-Y310 PolarHBondContact O-N 3.34Å; Y310-R316 WeakPolarHBondContact O-CD 3.34Å; Y310-R316 VanDerWaalsContact O-CG 3.31Å; Y310-R316 WeakPolarHBondContact O-CG 3.5Å; Y310-R316 PolarHBondContact O-NH1 2.8Å; Y310-L319 HydrophobicContact CD1-CD2 3.74Å; Y310-L319 HydrophobicContact CE1-CD2 3.82Å; Y310-V372 VanDerWaalsContact OH-CG2 3.23Å; Y310-V372 WeakPolarHBondContact OH-CG2 3.23Å
311S83.5Confident87.1Confident52 Ų5242.7 Ų42.736%0.36422%0.224SC..Hα-helixtrans-85.6-32-173.265.60000113.6E305 T306 A307 R316E305-S311 WeakPolarHBondContact O-CB 3.09Å; T306-S311 PolarHBondContact O-OG 2.92Å; A307-S311 PolarHBondContact O-N 2.81Å; A307-S311 PolarHBondContact O-OG 3.44Å; A307-S311 VanDerWaalsContact O-OG 3.07Å; S311-R316 PolarHBondContact O-NH1 3.49Å
312S83.6Confident87Confident27 Ų2746.8 Ų46.819%0.18925%0.252CS..SBendtrans-93.8151.3-177.980.10000112.5W308 E314 G315 R316W308-S312 PolarHBondContact NE1-OG 3.22Å; W308-S312 WeakPolarHBondContact O-CB 3.37Å; W308-S312 PolarHBondContact O-N 2.9Å; W308-S312 VanDerWaalsContact O-N 3.13Å; W308-S312 PolarHBondContact O-OG 2.91Å; S312-E314 VanDerWaalsContact C-N 3.29Å; S312-E314 PolarHBondContact O-N 3.38Å; S312-G315 PolarHBondContact O-N 3.37Å; S312-G315 WeakPolarHBondContact OG-CA 3.46Å; S312-G315 PolarHBondContact OG-N 2.72Å; S312-R316 WeakPolarHBondContact O-CG 3.49Å; S312-R316 PolarHBondContact O-N 3.11Å
313T85.4Confident87.2Confident52 Ų5245 Ų4532%0.31925%0.251SS..Hα-helixtrans-62-39.6175.6-55.70000111.6R316 R317T313-R316 PolarHBondContact O-N 3.37Å; T313-R316 PolarHBondContact OG1-NH2 2.79Å; T313-R317 WeakPolarHBondContact O-CG 3.42Å; T313-R317 PolarHBondContact O-N 2.84Å; T313-R317 VanDerWaalsContact O-N 3.11Å
314E85.2Confident87.5Confident101 Ų10147.9 Ų47.947%0.47227%0.266SS..Hα-helixtrans-71.1-41.4-179.4-167.258.2-155.200112W308 S312 R316 R317 Q318W308-E314 HydrophobicContact CH2-CB 4.38Å; W308-E314 HydrophobicContact CH2-CG 4.17Å; W308-E314 HydrophobicContact CZ2-CB 3.74Å; W308-E314 HydrophobicContact CZ2-CG 3.8Å; S312-E314 VanDerWaalsContact C-N 3.29Å; S312-E314 PolarHBondContact O-N 3.38Å; E314-R316 PolarHBondContact O-N 3.34Å; E314-R317 WeakPolarHBondContact O-CB 3.47Å; E314-R317 PolarHBondContact O-N 3.33Å; E314-R317 IonicContact OE2-CZ 3.15Å; E314-R317 IonicContact OE2-NH1 2.8Å; E314-R317 PolarHBondContact OE2-NH1 3.09Å; E314-Q318 PolarHBondContact O-N 3.06Å
315G87.8Confident87.9Confident0 Ų047.9 Ų47.90%026%0.264CS..Hα-helixtrans-60.3-4417300000112.5W308 L309 S312 R317 Q318 L319W308-G315 VanDerWaalsContact CH2-CA 3.5Å; L309-G315 CarbonylContact O-C 3.48Å; S312-G315 PolarHBondContact O-N 3.37Å; S312-G315 WeakPolarHBondContact OG-CA 3.46Å; S312-G315 PolarHBondContact OG-N 2.72Å; G315-R317 VanDerWaalsContact C-N 3.3Å; G315-R317 PolarHBondContact O-N 2.76Å; G315-Q318 WeakPolarHBondContact O-CB 3.33Å; G315-Q318 PolarHBondContact O-N 3.4Å; G315-Q318 VanDerWaalsContact O-N 3.15Å; G315-L319 WeakPolarHBondContact O-CB 3.21Å; G315-L319 PolarHBondContact O-N 2.94Å
316R91.4Very high88.1Confident31 Ų3149.4 Ų49.412%0.11727%0.269CS..Hα-helixtrans-61.8-36.7175.7-72.5-170.1-69.8-930.4112.7L309 Y310 S311 S312 T313 E314 L319 A320 I330L309-R316 PolarHBondContact O-N 3.31Å; L309-R316 VanDerWaalsContact O-N 3.16Å; Y310-R316 WeakPolarHBondContact O-CD 3.34Å; Y310-R316 VanDerWaalsContact O-CG 3.31Å; Y310-R316 WeakPolarHBondContact O-CG 3.5Å; Y310-R316 PolarHBondContact O-NH1 2.8Å; S311-R316 PolarHBondContact O-NH1 3.49Å; S312-R316 WeakPolarHBondContact O-CG 3.49Å; S312-R316 PolarHBondContact O-N 3.11Å; T313-R316 PolarHBondContact O-N 3.37Å; T313-R316 PolarHBondContact OG1-NH2 2.79Å; E314-R316 PolarHBondContact O-N 3.34Å; R316-L319 PolarHBondContact O-N 3.03Å; R316-A320 WeakPolarHBondContact O-CB 3.41Å; R316-A320 PolarHBondContact O-N 2.8Å; R316-I330 HydrophobicContact CB-CD1 3.62Å; R316-I330 HydrophobicContact CG-CD1 3.56Å
317R89.4Confident88.7Confident97 Ų9747.9 Ų47.937%0.36626%0.259SS..Hα-helixtrans-65.2-44.3172.9-72.2173.5-171.5148.4-1.2111.7T313 E314 G315 L319 A320 A321T313-R317 WeakPolarHBondContact O-CG 3.42Å; T313-R317 PolarHBondContact O-N 2.84Å; T313-R317 VanDerWaalsContact O-N 3.11Å; E314-R317 WeakPolarHBondContact O-CB 3.47Å; E314-R317 PolarHBondContact O-N 3.33Å; E314-R317 IonicContact OE2-CZ 3.15Å; E314-R317 IonicContact OE2-NH1 2.8Å; E314-R317 PolarHBondContact OE2-NH1 3.09Å; G315-R317 VanDerWaalsContact C-N 3.3Å; G315-R317 PolarHBondContact O-N 2.76Å; R317-L319 VanDerWaalsContact C-N 3.35Å; R317-A320 PolarHBondContact O-N 3.33Å; R317-A321 WeakPolarHBondContact O-CB 3.23Å; R317-A321 PolarHBondContact O-N 3.23Å
318Q89.9Confident89.3Confident100 Ų10046.6 Ų46.647%0.46725%0.249SC..Hα-helixtrans-60.9-45.3176-178.5172.7-24.700111W308 L309 E314 G315 A320 A321 S322W308-Q318 VanDerWaalsContact CH2-OE1 3.27Å; W308-Q318 HydrophobicContact CZ3-CB 4.47Å; W308-Q318 VanDerWaalsContact CZ3-OE1 3.25Å; L309-Q318 HydrophobicContact CD1-CB 4.49Å; E314-Q318 PolarHBondContact O-N 3.06Å; G315-Q318 WeakPolarHBondContact O-CB 3.33Å; G315-Q318 PolarHBondContact O-N 3.4Å; G315-Q318 VanDerWaalsContact O-N 3.15Å; Q318-A320 PolarHBondContact O-N 2.92Å; Q318-A321 PolarHBondContact O-N 2.77Å; Q318-S322 PolarHBondContact O-N 3.07Å; Q318-S322 PolarHBondContact O-OG 3.04Å
319L92.1Very high89.9Confident14 Ų1441 Ų417%0.07323%0.227CC..Hα-helixtrans-58.3-46.4175.4-179.362.3000111.9F298 L309 Y310 G315 R316 R317 A321 S322 A323 L328 I330F298-L319 HydrophobicContact CD1-CD2 3.86Å; F298-L319 HydrophobicContact CD2-CD1 4.22Å; F298-L319 HydrophobicContact CD2-CD2 4.35Å; F298-L319 HydrophobicContact CE1-CD2 3.95Å; F298-L319 HydrophobicContact CE2-CD1 3.81Å; F298-L319 HydrophobicContact CE2-CD2 4.43Å; F298-L319 HydrophobicContact CG-CD2 4.05Å; F298-L319 HydrophobicContact CZ-CD1 3.95Å; F298-L319 HydrophobicContact CZ-CD2 4.21Å; L309-L319 HydrophobicContact CD1-CB 3.95Å; L309-L319 HydrophobicContact CD2-CD1 4.18Å; L309-L319 HydrophobicContact CG-CB 4.14Å; L309-L319 HydrophobicContact CG-CD1 4.38Å; Y310-L319 HydrophobicContact CD1-CD2 3.74Å; Y310-L319 HydrophobicContact CE1-CD2 3.82Å; G315-L319 WeakPolarHBondContact O-CB 3.21Å; G315-L319 PolarHBondContact O-N 2.94Å; R316-L319 PolarHBondContact O-N 3.03Å; R317-L319 VanDerWaalsContact C-N 3.35Å; L319-A321 PolarHBondContact O-N 2.89Å; L319-S322 PolarHBondContact O-N 3.36Å; L319-A323 WeakPolarHBondContact O-CB 3.42Å; L319-A323 PolarHBondContact O-N 2.99Å; L319-L328 HydrophobicContact CG-CD2 4.19Å; L319-I330 HydrophobicContact CD2-CD1 3.94Å; L319-I330 HydrophobicContact CD2-CG1 4.19Å
320A91.7Very high90.4Very high9 Ų938.8 Ų38.87%0.07422%0.216CC..Hα-helixtrans-63.7-40.1177.800000112.7Q281 R316 R317 Q318 A323 N324 L328Q281-A320 HydrophobicContact CB-CB 3.96Å; Q281-A320 HydrophobicContact CG-CB 3.4Å; Q281-A320 VanDerWaalsContact CG-CB 3.4Å; R316-A320 WeakPolarHBondContact O-CB 3.41Å; R316-A320 PolarHBondContact O-N 2.8Å; R317-A320 PolarHBondContact O-N 3.33Å; Q318-A320 PolarHBondContact O-N 2.92Å; A320-A323 PolarHBondContact O-N 2.84Å; A320-N324 PolarHBondContact O-N 3.27Å; A320-N324 VanDerWaalsContact O-N 3.1Å; A320-L328 HydrophobicContact CB-CB 4.21Å; A320-L328 HydrophobicContact CB-CD2 4.08Å
321A90.1Very high90.8Very high70 Ų7038.6 Ų38.658%0.57922%0.215SC*.Hα-helixtrans-62.9-43.1174.800000111.7R317 Q318 L319 N324R317-A321 WeakPolarHBondContact O-CB 3.23Å; R317-A321 PolarHBondContact O-N 3.23Å; Q318-A321 PolarHBondContact O-N 2.77Å; L319-A321 PolarHBondContact O-N 2.89Å; A321-N324 PolarHBondContact O-N 2.84Å
322S90.9Very high91.2Very high94 Ų9437.3 Ų37.366%0.65721%0.206SC*.Hα-helixtrans-67.9-38.6176.8-63.10000113Q318 L319 N324Q318-S322 PolarHBondContact O-N 3.07Å; Q318-S322 PolarHBondContact O-OG 3.04Å; L319-S322 PolarHBondContact O-N 3.36Å; S322-N324 VanDerWaalsContact C-N 3.25Å; S322-N324 PolarHBondContact O-N 2.77Å
323A92Very high91.7Very high25 Ų2536.4 Ų36.421%0.20720%0.199CC..Hα-helixtrans-66.6-29176.700000112.3L319 A320 F325 L328 L370L319-A323 WeakPolarHBondContact O-CB 3.42Å; L319-A323 PolarHBondContact O-N 2.99Å; A320-A323 PolarHBondContact O-N 2.84Å; A323-F325 HydrophobicContact CB-CD2 4.18Å; A323-F325 WeakPolarHBondContact O-CD2 3.41Å; A323-F325 WeakPolarHBondContact O-CE2 3.42Å; A323-L328 HydrophobicContact CB-CD1 4.18Å; A323-L328 HydrophobicContact CB-CD2 3.97Å; A323-L370 HydrophobicContact CB-CD1 4.46Å
324N92.3Very high91.9Very high61 Ų6135.9 Ų35.933%0.32619%0.193SC..THydrogen-bonded Turntrans57.753.1175.4-165.124.9000113.1P290 N293 A320 A321 S322P290-N324 WeakPolarHBondContact CD-ND2 3.46Å; N293-N324 WeakPolarHBondContact CB-O 3.31Å; N293-N324 PolarHBondContact ND2-O 2.91Å; N293-N324 VanDerWaalsContact ND2-O 3.11Å; A320-N324 PolarHBondContact O-N 3.27Å; A320-N324 VanDerWaalsContact O-N 3.1Å; A321-N324 PolarHBondContact O-N 2.84Å; S322-N324 VanDerWaalsContact C-N 3.25Å; S322-N324 PolarHBondContact O-N 2.77Å
325F93.1Very high91.8Very high21 Ų2132.6 Ų32.69%0.09218%0.176CC..  trans-117.3153.2170.8-75.9-97.6000110.8C283 N293 A296 A323 R327 P368 L370C283-F325 WeakPolarHBondContact CB-O 3.48Å; N293-F325 VanDerWaalsContact C-CD1 3.5Å; N293-F325 VanDerWaalsContact CA-CD1 3.49Å; N293-F325 HydrophobicContact CB-CD1 3.56Å; N293-F325 HydrophobicContact CB-CE1 3.71Å; N293-F325 HydrophobicContact CB-CG 4.01Å; N293-F325 HydrophobicContact CB-CZ 4.27Å; N293-F325 CarbonylContact O-C 3.52Å; N293-F325 VanDerWaalsContact O-CA 3.3Å; N293-F325 WeakPolarHBondContact O-CA 3.4Å; A296-F325 HydrophobicContact CB-CB 4.35Å; A296-F325 HydrophobicContact CB-CD1 3.55Å; A296-F325 HydrophobicContact CB-CD2 3.78Å; A296-F325 HydrophobicContact CB-CE1 3.69Å; A296-F325 HydrophobicContact CB-CE2 3.92Å; A296-F325 HydrophobicContact CB-CG 3.61Å; A296-F325 HydrophobicContact CB-CZ 3.88Å; A323-F325 HydrophobicContact CB-CD2 4.18Å; A323-F325 WeakPolarHBondContact O-CD2 3.41Å; A323-F325 WeakPolarHBondContact O-CE2 3.42Å; F325-R327 VanDerWaalsContact C-N 3.31Å; F325-R327 PolarHBondContact O-N 2.89Å; F325-P368 HydrophobicContact CE1-CG 3.77Å; F325-P368 HydrophobicContact CZ-CG 3.82Å; F325-L370 HydrophobicContact CD2-CD1 4.34Å; F325-L370 HydrophobicContact CE2-CD1 3.84Å
326R91.1Very high91.3Very high55 Ų5537.1 Ų37.121%0.20820%0.201CC..SBendtrans-64.2-39.8179.3-179.263.4177.7178.74.2111.2T256 C283 P284 N293 Q294T256-R326 PolarHBondContact OG1-NH2 3.28Å; C283-R326 WeakPolarHBondContact CB-O 3.45Å; C283-R326 PolarHBondContact N-O 2.73Å; P284-R326 PolarHBondContact O-NH1 2.75Å; N293-R326 PolarHBondContact O-N 3.07Å; Q294-R326 VanDerWaalsContact O-CB 3.31Å; Q294-R326 WeakPolarHBondContact O-CB 3.44Å; Q294-R326 PolarHBondContact O-N 3.4Å
327R93.3Very high91.1Very high0 Ų036.8 Ų36.80%020%0.2CC..EExtended strand (participates in β ladder)trans-132.9131.3167.8177.6170.8-71.3163.14.2110.2L252 S255 V280 D282 Q294 F295 A296 F325 L356 A357 P358L252-R327 PolarHBondContact O-NH1 3.13Å; L252-R327 PolarHBondContact O-NH2 2.88Å; S255-R327 PolarHBondContact O-NH2 3.47Å; V280-R327 HydrophobicContact CG1-CG 3.88Å; D282-R327 WeakPolarHBondContact OD1-CB 3.39Å; D282-R327 WeakPolarHBondContact OD1-CG 3.36Å; D282-R327 IonicContact OD1-CZ 3.27Å; D282-R327 IonicContact OD1-NE 3.75Å; D282-R327 PolarHBondContact OD1-NE 3.23Å; D282-R327 IonicContact OD1-NH2 2.75Å; D282-R327 PolarHBondContact OD1-NH2 3.23Å; D282-R327 IonicContact OD2-CZ 3.86Å; D282-R327 IonicContact OD2-NE 3.95Å; D282-R327 IonicContact OD2-NH2 3.65Å; D282-R327 PolarHBondContact OD2-NH2 3.35Å; Q294-R327 PolarHBondContact O-N 2.67Å; F295-R327 WeakPolarHBondContact CA-O 3.43Å; F295-R327 HydrophobicContact CD2-CB 3.98Å; F295-R327 HydrophobicContact CD2-CG 3.92Å; F295-R327 HydrophobicContact CE2-CB 4.48Å; F295-R327 HydrophobicContact CE2-CG 3.92Å; A296-R327 PolarHBondContact N-O 2.7Å; F325-R327 VanDerWaalsContact C-N 3.31Å; F325-R327 PolarHBondContact O-N 2.89Å; R327-L356 WeakPolarHBondContact CD-O 3.28Å; R327-L356 PolarHBondContact NH1-O 2.94Å; R327-A357 PolarHBondContact NH1-O 3.22Å; R327-A357 VanDerWaalsContact NH1-O 3.15Å; R327-P358 HydrophobicContact CB-CB 4.16Å; R327-P358 HydrophobicContact CB-CG 4.17Å
328L95.1Very high90.9Very high0 Ų040.4 Ų40.40%022%0.221CC..EExtended strand (participates in β ladder)trans-114.4128.7170.8-170.970.7000109.3Q281 A296 F298 L319 A320 A323 I330 L370Q281-L328 PolarHBondContact N-O 3.31Å; Q281-L328 PolarHBondContact O-N 3.4Å; A296-L328 HydrophobicContact CB-CD1 3.82Å; F298-L328 HydrophobicContact CB-CD1 4.07Å; F298-L328 HydrophobicContact CB-CD2 4.2Å; F298-L328 HydrophobicContact CB-CG 4.25Å; L319-L328 HydrophobicContact CG-CD2 4.19Å; A320-L328 HydrophobicContact CB-CB 4.21Å; A320-L328 HydrophobicContact CB-CD2 4.08Å; A323-L328 HydrophobicContact CB-CD1 4.18Å; A323-L328 HydrophobicContact CB-CD2 3.97Å; L328-I330 HydrophobicContact CD2-CD1 4.46Å; L328-I330 HydrophobicContact CD2-CG1 4.06Å; L328-I330 HydrophobicContact CG-CG1 4.31Å; L328-L370 HydrophobicContact CD1-CD1 4.39Å
329V95.9Very high91Very high0 Ų036.5 Ų36.50%020%0.203CC..EExtended strand (participates in β ladder)trans-102.6119169.8173.40000108.7L278 T279 V280 F295 A296 I297 F298 L356L278-V329 HydrophobicContact CB-CG1 3.89Å; L278-V329 HydrophobicContact CD1-CG1 4.46Å; L278-V329 HydrophobicContact CD2-CG1 4.23Å; L278-V329 HydrophobicContact CG-CG1 4.42Å; T279-V329 CarbonylContact O-C 3.48Å; T279-V329 WeakPolarHBondContact O-CA 3.17Å; V280-V329 HydrophobicContact CG2-CG2 4.3Å; F295-V329 HydrophobicContact CE2-CG2 3.62Å; F295-V329 HydrophobicContact CZ-CG2 4Å; A296-V329 PolarHBondContact O-N 3.05Å; I297-V329 CarbonylContact C-O 3.5Å; I297-V329 WeakPolarHBondContact CA-O 3.43Å; I297-V329 HydrophobicContact CG1-CB 4.39Å; F298-V329 PolarHBondContact N-O 2.85Å; V329-L356 HydrophobicContact CG1-CD1 4.17Å; V329-L356 HydrophobicContact CG2-CB 4.24Å; V329-L356 HydrophobicContact CG2-CD1 4.08Å
330I96.1Very high90.8Very high0 Ų041.7 Ų41.70%024%0.235CC..EExtended strand (participates in β ladder)trans-94.8108.3179.2-57.9167.6000107.9L278 T279 F298 V300 R316 L319 L328L278-I330 WeakPolarHBondContact CA-O 3.2Å; T279-I330 PolarHBondContact N-O 3.34Å; T279-I330 PolarHBondContact O-N 2.82Å; F298-I330 HydrophobicContact CB-CG1 4.46Å; F298-I330 CarbonylContact O-C 3.59Å; F298-I330 WeakPolarHBondContact O-CA 3.38Å; V300-I330 HydrophobicContact CG2-CG2 3.53Å; R316-I330 HydrophobicContact CB-CD1 3.62Å; R316-I330 HydrophobicContact CG-CD1 3.56Å; L319-I330 HydrophobicContact CD2-CD1 3.94Å; L319-I330 HydrophobicContact CD2-CG1 4.19Å; L328-I330 HydrophobicContact CD2-CD1 4.46Å; L328-I330 HydrophobicContact CD2-CG1 4.06Å; L328-I330 HydrophobicContact CG-CG1 4.31Å
331A95.9Very high90.8Very high1 Ų144.5 Ų44.51%0.00825%0.249CC..EExtended strand (participates in β ladder)trans-94.2108.1-179.100000110.4L278 I297 F298 I299 V300 L349L278-A331 HydrophobicContact CD2-CB 3.54Å; I297-A331 HydrophobicContact CG2-CB 4.03Å; F298-A331 PolarHBondContact O-N 2.95Å; I299-A331 HydrophobicContact CG1-CB 4.5Å; V300-A331 PolarHBondContact N-O 2.81Å; A331-L349 HydrophobicContact CB-CD1 4.02Å
332S93.9Very high90.9Very high25 Ų2542.6 Ų42.618%0.17523%0.228CC..EExtended strand (participates in β ladder)trans-96.5132.6173.3-57.40000110.1Y276 T277Y276-S332 CarbonylContact C-O 3.4Å; Y276-S332 WeakPolarHBondContact CA-O 3.46Å; T277-S332 PolarHBondContact N-O 3.47Å; T277-S332 PolarHBondContact O-N 2.94Å
333M92.6Very high91Very high8 Ų845 Ų454%0.03923%0.229CC..EExtended strand (participates in β ladder)trans-88.7131.7177.3-75175.3-7300110.3Y276 I299 V300 R302 Y339 V345 L376Y276-M333 HydrophobicContact CD1-CG 3.92Å; Y276-M333 HydrophobicContact CE1-CG 3.74Å; I299-M333 HydrophobicContact CG2-CE 3.84Å; V300-M333 WeakPolarHBondContact O-CE 3.46Å; R302-M333 HydrophobicContact CG-CE 3.64Å; R302-M333 HydrophobicContact CG-SD 4.31Å; M333-Y339 HydrophobicContact CB-CD2 4.37Å; M333-Y339 HydrophobicContact CB-CE1 4.19Å; M333-Y339 HydrophobicContact CB-CE2 3.72Å; M333-Y339 HydrophobicContact CG-CD1 4.18Å; M333-Y339 HydrophobicContact CG-CD2 4.43Å; M333-Y339 HydrophobicContact CG-CE1 3.82Å; M333-Y339 HydrophobicContact CG-CE2 4.1Å; M333-Y339 HydrophobicContact CG-CG 4.46Å; M333-Y339 HydrophobicContact SD-CD1 3.85Å; M333-Y339 HydrophobicContact SD-CD2 3.91Å; M333-Y339 HydrophobicContact SD-CE1 4.12Å; M333-Y339 HydrophobicContact SD-CE2 4.18Å; M333-Y339 HydrophobicContact SD-CG 3.73Å; M333-V345 HydrophobicContact SD-CG2 4.33Å; M333-L376 HydrophobicContact CE-CD2 3.97Å; M333-L376 HydrophobicContact SD-CD2 4.17Å
334H89.1Confident91Very high42 Ų4245.6 Ų45.619%0.19423%0.234CC..PPolyproline II helixtrans-74.6149.6176.6-81.2-95.5000111.9P274 R275 T277 Q337 Y339P274-H334 WeakPolarHBondContact O-CB 3.4Å; R275-H334 PolarHBondContact O-N 3.37Å; T277-H334 PolarHBondContact OG1-NE2 3.32Å; H334-Q337 HydrophobicContact CB-CG 4.41Å; H334-Y339 PolarHBondContact N-OH 2.73Å; H334-Y339 VanDerWaalsContact N-OH 3.09Å; H334-Y339 WeakPolarHBondContact O-CE2 3.46Å; H334-Y339 PolarHBondContact O-OH 3.49Å
335R83.6Confident91.1Very high31 Ų3142.8 Ų42.812%0.11722%0.219CC..THydrogen-bonded Turntrans-64.7161.9170-67.8-175.3178.687.3-12.9110.3Q337 E396 I415R335-Q337 PolarHBondContact O-N 3.46Å; R335-E396 IonicContact NE-OE1 3.66Å; R335-E396 IonicContact NE-OE2 2.82Å; R335-E396 IonicContact NH2-OE1 3.42Å; R335-I415 VanDerWaalsContact CZ-O 3.3Å; R335-I415 PolarHBondContact NH1-O 2.79Å; R335-I415 PolarHBondContact NH2-O 2.93Å; R335-I415 VanDerWaalsContact NH2-O 3.16Å
336N78.7Confident91.2Very high96 Ų9644.7 Ų44.751%0.51323%0.228SC..THydrogen-bonded Turntrans65.221177.5-43.8-15.1000114.1R384N336-R384 PolarHBondContact ND2-NH1 2.94Å; N336-R384 PolarHBondContact OD1-NH1 2.98Å; N336-R384 PolarHBondContact OD1-NH2 3Å
337Q86Confident91.2Very high24 Ų2446.2 Ų46.211%0.11225%0.247CC..  trans-123.3146.7176.5-65.2-79.7-17.500108.7N268 P274 R275 H334 R335 Y339N268-Q337 PolarHBondContact ND2-OE1 2.9Å; P274-Q337 PolarHBondContact O-NE2 2.98Å; R275-Q337 HydrophobicContact CB-CG 4.49Å; R275-Q337 HydrophobicContact CG-CG 4.25Å; R275-Q337 VanDerWaalsContact NH1-OE1 3.07Å; H334-Q337 HydrophobicContact CB-CG 4.41Å; R335-Q337 PolarHBondContact O-N 3.46Å; Q337-Y339 HydrophobicContact CB-CE1 4.36Å; Q337-Y339 HydrophobicContact CB-CE2 3.72Å; Q337-Y339 VanDerWaalsContact CB-OH 3.27Å; Q337-Y339 WeakPolarHBondContact CB-OH 3.27Å; Q337-Y339 WeakPolarHBondContact O-CE2 3.39Å
338E86.2Confident91.1Very high173 Ų17350.1 Ų50.181%0.80827%0.266SS*.  trans-94.2134.3176.1-66-173.4169.400111.3R275R275-E338 PolarHBondContact NH1-O 3.49Å; R275-E338 PolarHBondContact NH2-O 3.06Å
339Y90.4Very high91Very high18 Ų1850.2 Ų50.27%0.07127%0.266CS..  trans-131.5118.6175.6-49.9-80.4000108.4R275 Y276 M333 H334 Q337 V345R275-Y339 HydrophobicContact CG-CE1 4.11Å; R275-Y339 PolarHBondContact O-OH 2.99Å; Y276-Y339 HydrophobicContact CD1-CE1 4.38Å; Y276-Y339 HydrophobicContact CE1-CD1 4.09Å; Y276-Y339 AromaticContact CE1-CE1 3.55Å; Y276-Y339 HydrophobicContact CE1-CE1 3.55Å; Y276-Y339 HydrophobicContact CE2-CE1 4.45Å; Y276-Y339 AromaticContact CZ-CE1 3.59Å; Y276-Y339 WeakPolarHBondContact OH-CD1 3.44Å; Y276-Y339 WeakPolarHBondContact OH-CE1 3.45Å; M333-Y339 HydrophobicContact CB-CD2 4.37Å; M333-Y339 HydrophobicContact CB-CE1 4.19Å; M333-Y339 HydrophobicContact CB-CE2 3.72Å; M333-Y339 HydrophobicContact CG-CD1 4.18Å; M333-Y339 HydrophobicContact CG-CD2 4.43Å; M333-Y339 HydrophobicContact CG-CE1 3.82Å; M333-Y339 HydrophobicContact CG-CE2 4.1Å; M333-Y339 HydrophobicContact CG-CG 4.46Å; M333-Y339 HydrophobicContact SD-CD1 3.85Å; M333-Y339 HydrophobicContact SD-CD2 3.91Å; M333-Y339 HydrophobicContact SD-CE1 4.12Å; M333-Y339 HydrophobicContact SD-CE2 4.18Å; M333-Y339 HydrophobicContact SD-CG 3.73Å; H334-Y339 PolarHBondContact N-OH 2.73Å; H334-Y339 VanDerWaalsContact N-OH 3.09Å; H334-Y339 WeakPolarHBondContact O-CE2 3.46Å; H334-Y339 PolarHBondContact O-OH 3.49Å; Q337-Y339 HydrophobicContact CB-CE1 4.36Å; Q337-Y339 HydrophobicContact CB-CE2 3.72Å; Q337-Y339 VanDerWaalsContact CB-OH 3.27Å; Q337-Y339 WeakPolarHBondContact CB-OH 3.27Å; Q337-Y339 WeakPolarHBondContact O-CE2 3.39Å; Y339-V345 HydrophobicContact CD1-CG2 4.08Å; Y339-V345 HydrophobicContact CG-CG2 4.49Å
340T89.9Confident90.8Very high122 Ų12252.6 Ų52.675%0.74828%0.283SS*.  trans-72.2-60.5-172.9-48.10000111.8
341D90.8Very high90.2Very high68 Ų6856.2 Ų56.236%0.36431%0.306SS..  trans-158.7175.1-178.459.943.1000110.4Q343 A344 V345D341-Q343 PolarHBondContact O-N 2.78Å; D341-Q343 WeakPolarHBondContact OD1-CA 3.4Å; D341-Q343 WeakPolarHBondContact OD1-CB 3.5Å; D341-Q343 PolarHBondContact OD1-N 2.95Å; D341-A344 PolarHBondContact O-N 3.49Å; D341-A344 PolarHBondContact OD1-N 2.76Å; D341-V345 PolarHBondContact O-N 3.35Å
342M92.4Very high89.7Confident30 Ų3058 Ų5815%0.14832%0.317CS..Hα-helixtrans-58.7-35.6-179.6-174.662.774.100112.3I299 V345 Q346 D375 L376I299-M342 HydrophobicContact CD1-SD 3.46Å; I299-M342 WeakPolarHBondContact CD1-SD 3.42Å; M342-V345 PolarHBondContact O-N 2.78Å; M342-Q346 HydrophobicContact CG-CG 4.46Å; M342-Q346 VanDerWaalsContact CG-NE2 3.35Å; M342-Q346 WeakPolarHBondContact O-CB 3.47Å; M342-Q346 WeakPolarHBondContact O-CG 3.24Å; M342-Q346 PolarHBondContact O-N 2.85Å; M342-Q346 HydrophobicContact SD-CG 4.49Å; M342-D375 VanDerWaalsContact CE-C 3.45Å; M342-D375 WeakPolarHBondContact CE-O 3.35Å; M342-L376 HydrophobicContact CB-CG 4.46Å; M342-L376 HydrophobicContact CE-CD2 3.78Å; M342-L376 HydrophobicContact CE-CG 4.34Å; M342-L376 HydrophobicContact SD-CD2 3.91Å
343Q92.9Very high89.4Confident144 Ų14456.9 Ų56.967%0.67331%0.309SS*.Hα-helixtrans-71.2-39.6-177.8-67.7173.2-7.300111.6D341 Q346 S347D341-Q343 PolarHBondContact O-N 2.78Å; D341-Q343 WeakPolarHBondContact OD1-CA 3.4Å; D341-Q343 WeakPolarHBondContact OD1-CB 3.5Å; D341-Q343 PolarHBondContact OD1-N 2.95Å; Q343-Q346 PolarHBondContact O-N 2.64Å; Q343-S347 WeakPolarHBondContact O-CB 3.49Å; Q343-S347 PolarHBondContact O-N 2.72Å; Q343-S347 PolarHBondContact O-OG 2.92Å
344A92.7Very high89.2Confident38 Ų3859.7 Ų59.731%0.31432%0.323SS..Hα-helixtrans-62.1-46.2174.900000111.2D341 S347 E348D341-A344 PolarHBondContact O-N 3.49Å; D341-A344 PolarHBondContact OD1-N 2.76Å; A344-S347 PolarHBondContact O-N 2.85Å; A344-E348 WeakPolarHBondContact O-CB 3.28Å; A344-E348 PolarHBondContact O-N 3.16Å
345V93.8Very high88.9Confident2 Ų258.4 Ų58.41%0.01232%0.318CS..Hα-helixtrans-63.5-43.7177.71750000111.6Y276 I299 M333 Y339 D341 M342 S347 E348 L349 L376Y276-V345 HydrophobicContact CE1-CG1 3.99Å; I299-V345 HydrophobicContact CD1-CG1 3.79Å; M333-V345 HydrophobicContact SD-CG2 4.33Å; Y339-V345 HydrophobicContact CD1-CG2 4.08Å; Y339-V345 HydrophobicContact CG-CG2 4.49Å; D341-V345 PolarHBondContact O-N 3.35Å; M342-V345 PolarHBondContact O-N 2.78Å; V345-S347 PolarHBondContact O-N 2.88Å; V345-E348 PolarHBondContact O-N 3.46Å; V345-L349 HydrophobicContact CG1-CD1 3.86Å; V345-L349 HydrophobicContact CG1-CG 4.42Å; V345-L349 WeakPolarHBondContact O-CB 3.41Å; V345-L349 WeakPolarHBondContact O-CG 3.48Å; V345-L349 PolarHBondContact O-N 2.78Å; V345-L376 HydrophobicContact CB-CD2 4.41Å; V345-L376 HydrophobicContact CG2-CD1 3.97Å; V345-L376 HydrophobicContact CG2-CD2 4.04Å
346Q94Very high89.2Confident61 Ų6157 Ų5729%0.28531%0.312SS..Hα-helixtrans-60.5-45.4175.7-73177.29.800111.8I299 M342 Q343 E348 L349 S350 F369I299-Q346 HydrophobicContact CD1-CG 4.33Å; M342-Q346 HydrophobicContact CG-CG 4.46Å; M342-Q346 VanDerWaalsContact CG-NE2 3.35Å; M342-Q346 WeakPolarHBondContact O-CB 3.47Å; M342-Q346 WeakPolarHBondContact O-CG 3.24Å; M342-Q346 PolarHBondContact O-N 2.85Å; M342-Q346 HydrophobicContact SD-CG 4.49Å; Q343-Q346 PolarHBondContact O-N 2.64Å; Q346-E348 VanDerWaalsContact C-N 3.33Å; Q346-E348 PolarHBondContact O-N 3.13Å; Q346-L349 PolarHBondContact O-N 2.84Å; Q346-S350 VanDerWaalsContact O-CB 3.31Å; Q346-S350 WeakPolarHBondContact O-CB 3.42Å; Q346-S350 PolarHBondContact O-N 2.89Å; Q346-S350 PolarHBondContact O-OG 3.46Å; Q346-F369 HydrophobicContact CB-CD2 4.33Å; Q346-F369 HydrophobicContact CB-CE2 4.3Å; Q346-F369 HydrophobicContact CB-CG 4.45Å; Q346-F369 HydrophobicContact CB-CZ 4.39Å; Q346-F369 HydrophobicContact CG-CB 3.89Å; Q346-F369 HydrophobicContact CG-CD1 3.8Å; Q346-F369 HydrophobicContact CG-CD2 3.85Å; Q346-F369 HydrophobicContact CG-CE1 4.22Å; Q346-F369 HydrophobicContact CG-CE2 4.28Å; Q346-F369 HydrophobicContact CG-CG 3.59Å; Q346-F369 HydrophobicContact CG-CZ 4.44Å
347S91.7Very high89.7Confident87 Ų8753 Ų5361%0.60829%0.292SS*.Hα-helixtrans-63.3-40.2179.3-59.30000111.9Q343 A344 V345 P351Q343-S347 WeakPolarHBondContact O-CB 3.49Å; Q343-S347 PolarHBondContact O-N 2.72Å; Q343-S347 PolarHBondContact O-OG 2.92Å; A344-S347 PolarHBondContact O-N 2.85Å; V345-S347 PolarHBondContact O-N 2.88Å; S347-P351 WeakPolarHBondContact O-CD 3.29Å
348E92.3Very high89.9Confident83 Ų8352.1 Ų52.139%0.38829%0.289SS..Hα-helixtrans-67.4-42.6178.2-172.2174.3170.300112.3R275 Y276 A344 V345 Q346 P351R275-E348 VanDerWaalsContact CD-OE1 3.27Å; R275-E348 WeakPolarHBondContact CD-OE1 3.42Å; R275-E348 IonicContact CZ-OE1 3.29Å; R275-E348 IonicContact CZ-OE2 2.81Å; R275-E348 IonicContact NE-OE1 3.06Å; R275-E348 PolarHBondContact NE-OE1 2.56Å; R275-E348 IonicContact NE-OE2 2.83Å; R275-E348 PolarHBondContact NE-OE2 3.27Å; R275-E348 IonicContact NH2-OE1 3.74Å; R275-E348 IonicContact NH2-OE2 3.82Å; R275-E348 PolarHBondContact NH2-OE2 3.01Å; Y276-E348 HydrophobicContact CE2-CG 4.25Å; Y276-E348 WeakPolarHBondContact CE2-OE1 3.34Å; Y276-E348 PolarHBondContact OH-OE2 3.48Å; Y276-E348 VanDerWaalsContact OH-OE2 3.06Å; A344-E348 WeakPolarHBondContact O-CB 3.28Å; A344-E348 PolarHBondContact O-N 3.16Å; V345-E348 PolarHBondContact O-N 3.46Å; Q346-E348 VanDerWaalsContact C-N 3.33Å; Q346-E348 PolarHBondContact O-N 3.13Å; E348-P351 WeakPolarHBondContact O-CD 3.39Å
349L92.7Very high89.7Confident1 Ų146.3 Ų46.31%0.00527%0.266CS..Hα-helixtrans-79.6-30.7-177.6-71.8178.1000113.8L266 Y276 L278 A331 V345 Q346 P351 V352 V353 F369L266-L349 HydrophobicContact CD1-CD2 3.81Å; Y276-L349 HydrophobicContact CD1-CD1 4.37Å; Y276-L349 HydrophobicContact CD1-CD2 4.17Å; Y276-L349 HydrophobicContact CD2-CD2 3.8Å; Y276-L349 HydrophobicContact CE1-CD1 4.35Å; Y276-L349 HydrophobicContact CE1-CD2 4.43Å; Y276-L349 HydrophobicContact CE1-CG 4.46Å; Y276-L349 HydrophobicContact CE2-CD2 4.09Å; Y276-L349 HydrophobicContact CG-CD2 3.84Å; L278-L349 HydrophobicContact CD2-CD2 4.24Å; A331-L349 HydrophobicContact CB-CD1 4.02Å; V345-L349 HydrophobicContact CG1-CD1 3.86Å; V345-L349 HydrophobicContact CG1-CG 4.42Å; V345-L349 WeakPolarHBondContact O-CB 3.41Å; V345-L349 WeakPolarHBondContact O-CG 3.48Å; V345-L349 PolarHBondContact O-N 2.78Å; Q346-L349 PolarHBondContact O-N 2.84Å; L349-P351 VanDerWaalsContact C-CD 3.48Å; L349-V352 PolarHBondContact O-N 2.83Å; L349-V353 HydrophobicContact CB-CG1 4.03Å; L349-V353 WeakPolarHBondContact O-CG1 3.14Å; L349-V353 WeakPolarHBondContact O-CG2 3.32Å; L349-V353 PolarHBondContact O-N 3Å; L349-F369 HydrophobicContact CB-CE1 4.09Å; L349-F369 HydrophobicContact CB-CZ 4.28Å; L349-F369 HydrophobicContact CD1-CE1 4.32Å
350S90Very high89.1Confident51 Ų5149.2 Ų49.236%0.35730%0.302SS..Hα-helixtrans-45.1-49.4-176.2-72.90000115.4Q346 V352Q346-S350 VanDerWaalsContact O-CB 3.31Å; Q346-S350 WeakPolarHBondContact O-CB 3.42Å; Q346-S350 PolarHBondContact O-N 2.89Å; Q346-S350 PolarHBondContact O-OG 3.46Å; S350-V352 VanDerWaalsContact C-N 3.27Å; S350-V352 PolarHBondContact O-N 3.43Å
351P83.6Confident88.8Confident75 Ų7544.8 Ų44.849%0.48727%0.273SS..Hα-helixtrans-65.6-29-178.724-33.7000113.7S347 E348 L349S347-P351 WeakPolarHBondContact O-CD 3.29Å; E348-P351 WeakPolarHBondContact O-CD 3.39Å; L349-P351 VanDerWaalsContact C-CD 3.48Å
352V85.4Confident88.2Confident38 Ų3845 Ų4523%0.2328%0.278CS..Hα-helixtrans-90.7-40.5-173.3-1760000111.8L266 L349 S350 M354 D355L266-V352 HydrophobicContact CD1-CB 4.31Å; L266-V352 HydrophobicContact CD1-CG1 3.88Å; L266-V352 HydrophobicContact CD2-CG1 3.79Å; L349-V352 PolarHBondContact O-N 2.83Å; S350-V352 VanDerWaalsContact C-N 3.27Å; S350-V352 PolarHBondContact O-N 3.43Å; V352-M354 PolarHBondContact O-N 3.5Å; V352-D355 WeakPolarHBondContact O-CB 3.14Å; V352-D355 PolarHBondContact O-N 3.48Å
353V88.9Confident87.1Confident2 Ų249.8 Ų49.81%0.01231%0.309CS..Hα-helixtrans-65.9-24.5-175.5-63.50000112.5L278 F295 I297 L349 D355 L356 F369L278-V353 HydrophobicContact CD1-CG1 4.18Å; F295-V353 WeakPolarHBondContact CE1-O 3.29Å; F295-V353 VanDerWaalsContact CZ-O 3.25Å; F295-V353 WeakPolarHBondContact CZ-O 3.34Å; I297-V353 HydrophobicContact CD1-CB 4.04Å; I297-V353 HydrophobicContact CD1-CG2 3.83Å; I297-V353 HydrophobicContact CG1-CB 3.93Å; I297-V353 HydrophobicContact CG1-CG1 3.87Å; I297-V353 HydrophobicContact CG1-CG2 4.08Å; L349-V353 HydrophobicContact CB-CG1 4.03Å; L349-V353 WeakPolarHBondContact O-CG1 3.14Å; L349-V353 WeakPolarHBondContact O-CG2 3.32Å; L349-V353 PolarHBondContact O-N 3Å; V353-D355 PolarHBondContact O-N 3.19Å; V353-L356 WeakPolarHBondContact O-CB 3.5Å; V353-L356 PolarHBondContact O-N 3Å; V353-F369 HydrophobicContact CG2-CZ 4.32Å
354M87.1Confident86.3Confident68 Ų6850.3 Ų50.334%0.33532%0.317SS..G310 helixtrans-65.5-22.7174.1-67.7-53.8-5900113.2V352 L356 A357 M361 V367V352-M354 PolarHBondContact O-N 3.5Å; M354-L356 PolarHBondContact O-N 3.36Å; M354-A357 WeakPolarHBondContact O-CB 3.46Å; M354-A357 PolarHBondContact O-N 3.15Å; M354-M361 HydrophobicContact CE-CE 4.17Å; M354-V367 HydrophobicContact CE-CG2 4.39Å; M354-V367 HydrophobicContact SD-CG2 3.57Å; M354-V367 VanDerWaalsContact SD-CG2 3.57Å
355D84.6Confident85.7Confident15 Ų1550.6 Ų50.68%0.0831%0.312CS..G310 helixtrans-71.1-13.4172.6-67.6-32.8000112.5Y245 R249 R253 V352 V353Y245-D355 WeakPolarHBondContact OH-CB 3.44Å; Y245-D355 PolarHBondContact OH-OD2 3.44Å; R249-D355 HydrophobicContact CG-CB 4.47Å; R253-D355 IonicContact NH2-OD1 3.47Å; R253-D355 PolarHBondContact NH2-OD1 2.93Å; V352-D355 WeakPolarHBondContact O-CB 3.14Å; V352-D355 PolarHBondContact O-N 3.48Å; V353-D355 PolarHBondContact O-N 3.19Å
356L89.9Confident85.2Confident1 Ų159.1 Ų59.11%0.00535%0.351CS..G310 helixtrans-100.94178.8-48.1179.1000113.1L252 L278 V280 F295 R327 V329 V353 M354L252-L356 HydrophobicContact CD1-CB 4.35Å; L252-L356 HydrophobicContact CD1-CD2 3.55Å; L278-L356 HydrophobicContact CB-CD1 4.32Å; L278-L356 HydrophobicContact CD1-CD1 3.79Å; V280-L356 HydrophobicContact CG2-CD1 4.38Å; F295-L356 HydrophobicContact CZ-CB 4.19Å; R327-L356 WeakPolarHBondContact CD-O 3.28Å; R327-L356 PolarHBondContact NH1-O 2.94Å; V329-L356 HydrophobicContact CG1-CD1 4.17Å; V329-L356 HydrophobicContact CG2-CB 4.24Å; V329-L356 HydrophobicContact CG2-CD1 4.08Å; V353-L356 WeakPolarHBondContact O-CB 3.5Å; V353-L356 PolarHBondContact O-N 3Å; M354-L356 PolarHBondContact O-N 3.36Å
357A89Confident85.1Confident12 Ų1257.4 Ų57.410%0.09935%0.345CS..PPolyproline II helixtrans-59144.4-17800000112.4F295 R327 M354 M361F295-A357 HydrophobicContact CD1-CB 4.2Å; F295-A357 HydrophobicContact CE1-CB 4.15Å; R327-A357 PolarHBondContact NH1-O 3.22Å; R327-A357 VanDerWaalsContact NH1-O 3.15Å; M354-A357 WeakPolarHBondContact O-CB 3.46Å; M354-A357 PolarHBondContact O-N 3.15Å; A357-M361 HydrophobicContact CB-SD 3.86Å
358P88.6Confident85.2Confident6 Ų655.5 Ų55.54%0.03933%0.33CS..PPolyproline II helixtrans-73160.7179.230.8-35.1000113.1Q294 F295 R327 M361Q294-P358 HydrophobicContact CB-CG 4.49Å; F295-P358 HydrophobicContact CB-CG 4.17Å; R327-P358 HydrophobicContact CB-CB 4.16Å; R327-P358 HydrophobicContact CB-CG 4.17Å; P358-M361 PolarHBondContact O-N 3.33Å
359P83.2Confident85.3Confident50 Ų5053.5 Ų53.533%0.32532%0.321SS..THydrogen-bonded Turntrans-54.2138.8174.617.6-30000112.3L252 R253 T256 M361L252-P359 WeakPolarHBondContact O-CD 3.46Å; R253-P359 VanDerWaalsContact O-CA 3.27Å; R253-P359 WeakPolarHBondContact O-CA 3.37Å; R253-P359 WeakPolarHBondContact O-CB 3.35Å; T256-P359 HydrophobicContact CG2-CG 4.13Å; P359-M361 VanDerWaalsContact C-N 3.28Å; P359-M361 PolarHBondContact O-N 2.93Å
360G78.5Confident85.4Confident80 Ų8056 Ų5683%0.82533%0.334SS*.THydrogen-bonded Turntrans74.810.3173.300000115.4
361M82.6Confident85.6Confident28 Ų2854.8 Ų54.814%0.13833%0.325CS..  trans-64.1130.5175-174.8179.1163.100111.1F295 M354 A357 P358 P359 Q365 V367F295-M361 HydrophobicContact CB-CE 4.42Å; F295-M361 HydrophobicContact CB-SD 3.8Å; F295-M361 HydrophobicContact CD1-CE 4.36Å; F295-M361 HydrophobicContact CD1-SD 3.88Å; F295-M361 HydrophobicContact CG-SD 4.22Å; M354-M361 HydrophobicContact CE-CE 4.17Å; A357-M361 HydrophobicContact CB-SD 3.86Å; P358-M361 PolarHBondContact O-N 3.33Å; P359-M361 VanDerWaalsContact C-N 3.28Å; P359-M361 PolarHBondContact O-N 2.93Å; M361-Q365 HydrophobicContact CE-CB 3.82Å; M361-Q365 HydrophobicContact CE-CG 3.96Å; M361-Q365 WeakPolarHBondContact CE-O 3.31Å; M361-V367 HydrophobicContact CE-CG2 3.52Å
362P77.2Confident85.7Confident73 Ų7355.1 Ų55.147%0.47433%0.326SS..  trans-62138.1176.3-20.731.3000112.5N364 Q365P362-N364 PolarHBondContact O-N 3.31Å; P362-N364 VanDerWaalsContact O-N 3.1Å; P362-Q365 HydrophobicContact CB-CB 4.23Å; P362-Q365 WeakPolarHBondContact O-CB 3.37Å; P362-Q365 PolarHBondContact O-N 2.94Å; P362-Q365 VanDerWaalsContact O-N 3.13Å
363T70.9Confident85.3Confident131 Ų13156.9 Ų56.980%0.80435%0.351SS*.THydrogen-bonded Turntrans-59.9-25.8-174.8-42.20000114.4
364N74.8Confident84.9Confident155 Ų15559.4 Ų59.483%0.82938%0.377SS*.THydrogen-bonded Turntrans-106.59.5-177.2-64.1-15.4000113.5P362 Q366P362-N364 PolarHBondContact O-N 3.31Å; P362-N364 VanDerWaalsContact O-N 3.1Å; N364-Q366 PolarHBondContact O-N 3.28Å
365Q80.4Confident84.8Confident44 Ų4460.7 Ų60.721%0.20639%0.386CS..  trans-75.6121.3179.4176.5168.9-1800110.2S292 M361 P362S292-Q365 PolarHBondContact O-NE2 3.03Å; M361-Q365 HydrophobicContact CE-CB 3.82Å; M361-Q365 HydrophobicContact CE-CG 3.96Å; M361-Q365 WeakPolarHBondContact CE-O 3.31Å; P362-Q365 HydrophobicContact CB-CB 4.23Å; P362-Q365 WeakPolarHBondContact O-CB 3.37Å; P362-Q365 PolarHBondContact O-N 2.94Å; P362-Q365 VanDerWaalsContact O-N 3.13Å
366Q84.7Confident84.9Confident180 Ų18060.8 Ų60.884%0.84139%0.386SS*.  trans-67.7137.6171.2-70.1-172.3-9.700110.5N364N364-Q366 PolarHBondContact O-N 3.28Å
367V90.8Very high84.8Confident25 Ų2562 Ų6215%0.15240%0.399CS..  trans-97.1116178.7-167.80000109.1F295 I297 M354 M361F295-V367 HydrophobicContact CB-CG1 4.37Å; F295-V367 HydrophobicContact CD1-CB 4.28Å; F295-V367 HydrophobicContact CD1-CG1 3.52Å; F295-V367 HydrophobicContact CD1-CG2 3.65Å; F295-V367 HydrophobicContact CE1-CG1 3.99Å; F295-V367 HydrophobicContact CE1-CG2 4.23Å; F295-V367 HydrophobicContact CG-CG1 4.04Å; I297-V367 HydrophobicContact CD1-CB 4.16Å; I297-V367 HydrophobicContact CD1-CG1 3.15Å; M354-V367 HydrophobicContact CE-CG2 4.39Å; M354-V367 HydrophobicContact SD-CG2 3.57Å; M354-V367 VanDerWaalsContact SD-CG2 3.57Å; M361-V367 HydrophobicContact CE-CG2 3.52Å
368P94.1Very high84.7Confident47 Ų4764.1 Ų64.131%0.30540%0.404SS..  trans-71.5140.1177.829-34.4000111.2F295 A296 I297 F325 L370F295-P368 WeakPolarHBondContact O-CD 3.49Å; A296-P368 HydrophobicContact CB-CG 3.96Å; I297-P368 PolarHBondContact N-O 3.49Å; F325-P368 HydrophobicContact CE1-CG 3.77Å; F325-P368 HydrophobicContact CZ-CG 3.82Å; P368-L370 HydrophobicContact CB-CD2 4.35Å
369F95.1Very high84.7Confident42 Ų4265 Ų6518%0.18441%0.407CS..EExtended strand (participates in β ladder)trans-98.8126.1165-74.1-100.6000109I297 I299 Q346 L349 V353I297-F369 HydrophobicContact CB-CD1 3.62Å; I297-F369 HydrophobicContact CB-CE1 3.76Å; I297-F369 HydrophobicContact CB-CG 4.24Å; I297-F369 HydrophobicContact CB-CZ 4.45Å; I297-F369 HydrophobicContact CD1-CE1 4.49Å; I297-F369 HydrophobicContact CD1-CZ 4.36Å; I297-F369 HydrophobicContact CG1-CD1 4.31Å; I297-F369 HydrophobicContact CG1-CE1 3.96Å; I297-F369 HydrophobicContact CG1-CZ 4.26Å; I297-F369 HydrophobicContact CG2-CD1 3.65Å; I297-F369 HydrophobicContact CG2-CE1 3.69Å; I297-F369 CarbonylContact O-C 3.5Å; I297-F369 WeakPolarHBondContact O-CA 3.24Å; I299-F369 HydrophobicContact CD1-CB 4.5Å; I299-F369 HydrophobicContact CD1-CD1 3.66Å; I299-F369 HydrophobicContact CD1-CE1 4.36Å; I299-F369 HydrophobicContact CD1-CG 4.5Å; I299-F369 HydrophobicContact CG1-CD1 4.08Å; Q346-F369 HydrophobicContact CB-CD2 4.33Å; Q346-F369 HydrophobicContact CB-CE2 4.3Å; Q346-F369 HydrophobicContact CB-CG 4.45Å; Q346-F369 HydrophobicContact CB-CZ 4.39Å; Q346-F369 HydrophobicContact CG-CB 3.89Å; Q346-F369 HydrophobicContact CG-CD1 3.8Å; Q346-F369 HydrophobicContact CG-CD2 3.85Å; Q346-F369 HydrophobicContact CG-CE1 4.22Å; Q346-F369 HydrophobicContact CG-CE2 4.28Å; Q346-F369 HydrophobicContact CG-CG 3.59Å; Q346-F369 HydrophobicContact CG-CZ 4.44Å; L349-F369 HydrophobicContact CB-CE1 4.09Å; L349-F369 HydrophobicContact CB-CZ 4.28Å; L349-F369 HydrophobicContact CD1-CE1 4.32Å; V353-F369 HydrophobicContact CG2-CZ 4.32Å
370L95.1Very high85Confident54 Ų5465.5 Ų65.528%0.28341%0.405SS..EExtended strand (participates in β ladder)trans-111.7148.4-177.4-52.2177.3000108.9A296 I297 F298 I299 A323 F325 L328 P368A296-L370 HydrophobicContact CB-CD1 4.02Å; A296-L370 HydrophobicContact CB-CG 4.45Å; I297-L370 PolarHBondContact O-N 3.27Å; F298-L370 CarbonylContact C-O 3.56Å; F298-L370 WeakPolarHBondContact CA-O 3.28Å; F298-L370 HydrophobicContact CD2-CB 3.84Å; F298-L370 HydrophobicContact CE2-CB 4.48Å; I299-L370 PolarHBondContact N-O 2.96Å; A323-L370 HydrophobicContact CB-CD1 4.46Å; F325-L370 HydrophobicContact CD2-CD1 4.34Å; F325-L370 HydrophobicContact CE2-CD1 3.84Å; L328-L370 HydrophobicContact CD1-CD1 4.39Å; P368-L370 HydrophobicContact CB-CD2 4.35Å
371S92.5Very high85.6Confident24 Ų2466.2 Ų66.217%0.16839%0.387CS..  trans-159.8155.7168.1-164.80000109.5I299 G373 G374 D375I299-S371 WeakPolarHBondContact O-CB 3.29Å; I299-S371 PolarHBondContact O-OG 3.14Å; S371-G373 PolarHBondContact O-N 3.4Å; S371-G374 PolarHBondContact O-N 2.85Å; S371-D375 PolarHBondContact OG-O 3.42Å
372V86Confident86Confident83 Ų8366.4 Ų66.450%0.50339%0.39SS..SBendtrans-69.8130.1173.1-173.90000108.8F298 P301 Y310 G374F298-V372 HydrophobicContact CZ-CG2 3.79Å; P301-V372 HydrophobicContact CG-CB 4.19Å; Y310-V372 VanDerWaalsContact OH-CG2 3.23Å; Y310-V372 WeakPolarHBondContact OH-CG2 3.23Å; V372-G374 PolarHBondContact O-N 3.24Å
373G78.2Confident86.8Confident75 Ų7564.2 Ų64.277%0.77338%0.376SS*.THydrogen-bonded Turntrans75-14.9-178.600000115.4S371 D375S371-G373 PolarHBondContact O-N 3.4Å; G373-D375 VanDerWaalsContact C-N 3.3Å; G373-D375 PolarHBondContact O-N 3.1Å
374G80.3Confident87.9Confident54 Ų5462.4 Ų62.456%0.55735%0.354SS*.THydrogen-bonded Turntrans78.67.4177.100000115S371 V372S371-G374 PolarHBondContact O-N 2.85Å; V372-G374 PolarHBondContact O-N 3.24Å
375D84.2Confident88.9Confident95 Ų9555.8 Ų55.851%0.50832%0.323SS..SBendtrans-116.8179.2173.565.641.3000111.4M342 S371 G373 G377M342-D375 VanDerWaalsContact CE-C 3.45Å; M342-D375 WeakPolarHBondContact CE-O 3.35Å; S371-D375 PolarHBondContact OG-O 3.42Å; G373-D375 VanDerWaalsContact C-N 3.3Å; G373-D375 PolarHBondContact O-N 3.1Å; D375-G377 PolarHBondContact O-N 2.96Å; D375-G377 WeakPolarHBondContact OD1-CA 3.47Å; D375-G377 PolarHBondContact OD1-N 3.05Å
376L87.8Confident89.6Confident17 Ų1758.4 Ų58.49%0.08934%0.342CS..  trans-82.59.8-179.6-70-177.6000113I299 R302 M333 M342 V345I299-L376 HydrophobicContact CG2-CD2 3.99Å; R302-L376 WeakPolarHBondContact CB-O 3.48Å; R302-L376 VanDerWaalsContact CG-O 3.22Å; R302-L376 WeakPolarHBondContact CG-O 3.36Å; R302-L376 PolarHBondContact N-O 3.29Å; M333-L376 HydrophobicContact CE-CD2 3.97Å; M333-L376 HydrophobicContact SD-CD2 4.17Å; M342-L376 HydrophobicContact CB-CG 4.46Å; M342-L376 HydrophobicContact CE-CD2 3.78Å; M342-L376 HydrophobicContact CE-CG 4.34Å; M342-L376 HydrophobicContact SD-CD2 3.91Å; V345-L376 HydrophobicContact CB-CD2 4.41Å; V345-L376 HydrophobicContact CG2-CD1 3.97Å; V345-L376 HydrophobicContact CG2-CD2 4.04Å
377G86.1Confident90Very high27 Ų2750 Ų5028%0.27830%0.303SS..BIsolated β-bridgetrans67.5-173.7-166.200000112.6D375D375-G377 PolarHBondContact O-N 2.96Å; D375-G377 WeakPolarHBondContact OD1-CA 3.47Å; D375-G377 PolarHBondContact OD1-N 3.05Å
378W86.9Confident90.1Very high56 Ų5658.4 Ų58.421%0.21234%0.341CS..  trans-137.2124.2-179.1-176.884.6000110.6R302 E380 N397 R399 L405 V443R302-W378 PolarHBondContact O-N 3.47Å; W378-E380 HydrophobicContact CH2-CB 3.62Å; W378-E380 WeakPolarHBondContact CH2-OE2 3.4Å; W378-E380 HydrophobicContact CZ2-CB 3.42Å; W378-E380 VanDerWaalsContact CZ2-CB 3.42Å; W378-E380 HydrophobicContact CZ2-CG 4.26Å; W378-E380 WeakPolarHBondContact CZ2-OE2 3.4Å; W378-E380 HydrophobicContact CZ3-CB 4.38Å; W378-N397 HydrophobicContact CH2-CB 3.56Å; W378-N397 HydrophobicContact CZ3-CB 3.58Å; W378-N397 WeakPolarHBondContact CZ3-O 3.31Å; W378-R399 PolarHBondContact O-N 2.94Å; W378-L405 HydrophobicContact CE3-CD2 4.22Å; W378-L405 HydrophobicContact CZ3-CD2 3.91Å; W378-V443 HydrophobicContact CZ2-CG1 4.12Å
379R89.4Confident89.8Confident25 Ų2560.5 Ų60.59%0.09435%0.349CS..EExtended strand (participates in β ladder)trans-136.2127.5172171.8-171.3-83.4133.66.7108R302 E305 E396 N397 V398R302-R379 HydrophobicContact CB-CB 4.25Å; R302-R379 PolarHBondContact NH2-O 3.41Å; R302-R379 VanDerWaalsContact NH2-O 3.13Å; E305-R379 IonicContact OE1-CZ 2.67Å; E305-R379 IonicContact OE1-NH1 3.58Å; E305-R379 PolarHBondContact OE1-NH1 2.96Å; E305-R379 IonicContact OE1-NH2 3.62Å; E305-R379 PolarHBondContact OE1-NH2 3.4Å; E305-R379 IonicContact OE2-CZ 3.55Å; E305-R379 IonicContact OE2-NH1 3.62Å; E305-R379 IonicContact OE2-NH2 3.39Å; E305-R379 PolarHBondContact OE2-NH2 3.29Å; R379-E396 WeakPolarHBondContact CD-OE2 3.13Å; R379-E396 HydrophobicContact CG-CB 4.26Å; R379-E396 IonicContact CZ-OE1 2.68Å; R379-E396 IonicContact CZ-OE2 3.42Å; R379-E396 IonicContact NE-OE1 3.65Å; R379-E396 PolarHBondContact NE-OE1 3.31Å; R379-E396 IonicContact NE-OE2 3.07Å; R379-E396 PolarHBondContact NE-OE2 2.83Å; R379-E396 IonicContact NH2-OE1 3.87Å; R379-E396 PolarHBondContact NH2-OE1 3.5Å; R379-N397 WeakPolarHBondContact CA-O 3.43Å; R379-V398 HydrophobicContact CB-CG1 4.38Å; R379-V398 HydrophobicContact CG-CG1 4.39Å
380E89.8Confident89.4Confident61 Ų6158.9 Ų58.929%0.28534%0.342SS..EExtended strand (participates in β ladder)trans-118.7119.9172.9174.4-171.8-142.200108.5W378 V382 E396 N397W378-E380 HydrophobicContact CH2-CB 3.62Å; W378-E380 WeakPolarHBondContact CH2-OE2 3.4Å; W378-E380 HydrophobicContact CZ2-CB 3.42Å; W378-E380 VanDerWaalsContact CZ2-CB 3.42Å; W378-E380 HydrophobicContact CZ2-CG 4.26Å; W378-E380 WeakPolarHBondContact CZ2-OE2 3.4Å; W378-E380 HydrophobicContact CZ3-CB 4.38Å; E380-V382 PolarHBondContact O-N 2.96Å; E380-E396 CarbonylContact O-C 3.51Å; E380-E396 VanDerWaalsContact O-CA 3.24Å; E380-E396 WeakPolarHBondContact O-CA 2.94Å; E380-N397 HydrophobicContact CB-CB 4.35Å; E380-N397 PolarHBondContact N-O 2.93Å; E380-N397 PolarHBondContact O-N 3.17Å; E380-N397 PolarHBondContact OE2-ND2 3.07Å
381E90.9Very high89.3Confident95 Ų9557.6 Ų57.644%0.44434%0.343SS..EExtended strand (participates in β ladder)trans-73.9123.6169.5-179.7164.913800109.1R384E381-R384 WeakPolarHBondContact OE1-CB 3.33Å; E381-R384 IonicContact OE1-CZ 2.7Å; E381-R384 IonicContact OE1-NE 3.43Å; E381-R384 PolarHBondContact OE1-NE 2.64Å; E381-R384 IonicContact OE1-NH2 3.64Å; E381-R384 PolarHBondContact OE1-NH2 3.42Å; E381-R384 IonicContact OE2-CZ 3.81Å; E381-R384 IonicContact OE2-NE 3.17Å; E381-R384 IonicContact OE2-NH2 3.09Å; E381-R384 PolarHBondContact OE2-NH2 2.76Å
382V91.5Very high89.3Confident32 Ų3261.4 Ų61.419%0.19436%0.358CS..EExtended strand (participates in β ladder)trans-97.8-41.6-178.1-176.50000110.6E380 V395 N397 W524E380-V382 PolarHBondContact O-N 2.96Å; V382-V395 HydrophobicContact CB-CG1 4.26Å; V382-V395 WeakPolarHBondContact CB-O 3.44Å; V382-V395 PolarHBondContact N-O 3.5Å; V382-N397 HydrophobicContact CG2-CB 4.26Å; V382-N397 VanDerWaalsContact CG2-ND2 3.33Å; V382-N397 WeakPolarHBondContact CG2-ND2 3.31Å; V382-N397 WeakPolarHBondContact CG2-OD1 3.42Å; V382-W524 HydrophobicContact CG1-CD2 4.18Å; V382-W524 HydrophobicContact CG1-CE3 3.42Å; V382-W524 VanDerWaalsContact CG1-CE3 3.42Å; V382-W524 HydrophobicContact CG1-CH2 3.97Å; V382-W524 HydrophobicContact CG1-CZ3 3.3Å
383S93.3Very high89.6Confident26 Ų2658.7 Ų58.718%0.18234%0.338CS..EExtended strand (participates in β ladder)trans-154.6152.7-179.9-175.80000110.5V395S383-V395 PolarHBondContact N-O 3.08Å; S383-V395 PolarHBondContact O-N 3.49Å
384R94.3Very high90.4Very high93 Ų9355.2 Ų55.235%0.35130%0.302SS..EExtended strand (participates in β ladder)trans-140.9143.2175.9178.1-177.3-65.6-108.1-4.8108.8N336 E381 Y393 L412N336-R384 PolarHBondContact ND2-NH1 2.94Å; N336-R384 PolarHBondContact OD1-NH1 2.98Å; N336-R384 PolarHBondContact OD1-NH2 3Å; E381-R384 WeakPolarHBondContact OE1-CB 3.33Å; E381-R384 IonicContact OE1-CZ 2.7Å; E381-R384 IonicContact OE1-NE 3.43Å; E381-R384 PolarHBondContact OE1-NE 2.64Å; E381-R384 IonicContact OE1-NH2 3.64Å; E381-R384 PolarHBondContact OE1-NH2 3.42Å; E381-R384 IonicContact OE2-CZ 3.81Å; E381-R384 IonicContact OE2-NE 3.17Å; E381-R384 IonicContact OE2-NH2 3.09Å; E381-R384 PolarHBondContact OE2-NH2 2.76Å; R384-Y393 WeakPolarHBondContact CA-O 3.43Å; R384-Y393 WeakPolarHBondContact CG-O 3.22Å; R384-L412 VanDerWaalsContact NH1-CD1 3.29Å
385G94.9Very high91Very high17 Ų1752.6 Ų52.618%0.17528%0.276CS..EExtended strand (participates in β ladder)trans-159.9-172.9176.100000112.4E392 Y393G385-E392 WeakPolarHBondContact O-CA 3.33Å; G385-Y393 VanDerWaalsContact C-CD1 3.42Å; G385-Y393 VanDerWaalsContact CA-CE1 3.41Å; G385-Y393 PolarHBondContact N-O 2.75Å; G385-Y393 VanDerWaalsContact N-O 3.14Å; G385-Y393 VanDerWaalsContact O-CD1 3.31Å; G385-Y393 WeakPolarHBondContact O-CD1 3.22Å; G385-Y393 PolarHBondContact O-N 3.06Å
386V96Very high91.4Very high99 Ų9948.2 Ų48.260%0.625%0.252SS*.EExtended strand (participates in β ladder)trans-132.3128.6178.2-171.10000108.8E392V386-E392 HydrophobicContact CG1-CG 4.5Å; V386-E392 HydrophobicContact CG2-CG 4.01Å
387S93.1Very high91.7Very high4 Ų447.4 Ų47.43%0.02825%0.248CC..EExtended strand (participates in β ladder)trans-99.3142.5167.6167.40000110.1L389 S390 G391 D514S387-L389 PolarHBondContact O-N 2.85Å; S387-L389 PolarHBondContact OG-N 3.17Å; S387-S390 PolarHBondContact OG-N 2.76Å; S387-G391 PolarHBondContact N-O 3.31Å; S387-G391 VanDerWaalsContact O-CA 3.28Å; S387-G391 WeakPolarHBondContact O-CA 3.41Å; S387-G391 PolarHBondContact O-N 2.84Å; S387-D514 VanDerWaalsContact CB-OD2 3.31Å; S387-D514 WeakPolarHBondContact CB-OD2 3.42Å; S387-D514 PolarHBondContact OG-OD1 2.86Å; S387-D514 VanDerWaalsContact OG-OD1 3.05Å; S387-D514 PolarHBondContact OG-OD2 2.8Å
388Q92.4Very high92Very high201 Ų20146.1 Ų46.194%0.93924%0.235SC*.THydrogen-bonded Turntrans-64.7-27.4171.4-65-175.92.900112.2
389L88.6Confident92.1Very high91 Ų9149 Ų4948%0.47625%0.245SC..THydrogen-bonded Turntrans-100.6-28.9-176.6-61.3-179.3000113.3S387 L513 D514 K565S387-L389 PolarHBondContact O-N 2.85Å; S387-L389 PolarHBondContact OG-N 3.17Å; L389-L513 HydrophobicContact CD1-CG 4.05Å; L389-L513 WeakPolarHBondContact CD1-O 3.33Å; L389-D514 HydrophobicContact CD1-CB 4.41Å; L389-K565 VanDerWaalsContact C-NZ 3.34Å; L389-K565 PolarHBondContact O-NZ 2.88Å
390S87.1Confident91.8Very high7 Ų748.5 Ų48.55%0.04925%0.248CC..THydrogen-bonded Turntrans-111-7.6-175.6-53.80000113.7S387 D514 K565S387-S390 PolarHBondContact OG-N 2.76Å; S390-D514 WeakPolarHBondContact CB-OD2 3.47Å; S390-D514 PolarHBondContact OG-OD2 3.36Å; S390-K565 WeakPolarHBondContact OG-CE 3.45Å; S390-K565 PolarHBondContact OG-NZ 3.29Å
391G91.1Very high91.1Very high28 Ų2852.7 Ų52.729%0.28927%0.268SS..EExtended strand (participates in β ladder)trans74.8-156.5-175.400000112.3S387S387-G391 PolarHBondContact N-O 3.31Å; S387-G391 VanDerWaalsContact O-CA 3.28Å; S387-G391 WeakPolarHBondContact O-CA 3.41Å; S387-G391 PolarHBondContact O-N 2.84Å
392E92.8Very high90.8Very high103 Ų10352.5 Ų52.548%0.48127%0.27SS..EExtended strand (participates in β ladder)trans-67.6140.4177.5-55.4-166.2163.600111.6G385 V386 L412G385-E392 WeakPolarHBondContact O-CA 3.33Å; V386-E392 HydrophobicContact CG1-CG 4.5Å; V386-E392 HydrophobicContact CG2-CG 4.01Å; E392-L412 HydrophobicContact CB-CB 4.13Å; E392-L412 HydrophobicContact CB-CD1 3.91Å; E392-L412 HydrophobicContact CB-CG 4.26Å; E392-L412 PolarHBondContact O-N 2.97Å
393Y93.4Very high90.4Very high26 Ų2652.6 Ų52.610%0.10228%0.277CS..EExtended strand (participates in β ladder)trans-136.1158178.172.7-90.7000111.8R384 G385 V395 L409 V410 V516 V520R384-Y393 WeakPolarHBondContact CA-O 3.43Å; R384-Y393 WeakPolarHBondContact CG-O 3.22Å; G385-Y393 VanDerWaalsContact C-CD1 3.42Å; G385-Y393 VanDerWaalsContact CA-CE1 3.41Å; G385-Y393 PolarHBondContact N-O 2.75Å; G385-Y393 VanDerWaalsContact N-O 3.14Å; G385-Y393 VanDerWaalsContact O-CD1 3.31Å; G385-Y393 WeakPolarHBondContact O-CD1 3.22Å; G385-Y393 PolarHBondContact O-N 3.06Å; Y393-V395 HydrophobicContact CD2-CG2 4.43Å; Y393-V395 HydrophobicContact CE2-CG2 4.35Å; Y393-L409 HydrophobicContact CD2-CD1 3.83Å; Y393-L409 HydrophobicContact CG-CD1 4.33Å; Y393-V410 CarbonylContact C-O 3.48Å; Y393-V410 VanDerWaalsContact CA-O 3.31Å; Y393-V410 WeakPolarHBondContact CA-O 3.4Å; Y393-V516 HydrophobicContact CD1-CG1 4.09Å; Y393-V516 HydrophobicContact CE1-CG1 3.3Å; Y393-V520 HydrophobicContact CD2-CG2 4.22Å; Y393-V520 HydrophobicContact CE2-CG2 3.41Å; Y393-V520 VanDerWaalsContact CE2-CG2 3.41Å
394C93.4Very high90.3Very high2 Ų255.9 Ų55.91%0.01429%0.29CS..EExtended strand (participates in β ladder)trans-131.6137175.2-179.10000109.9V410 L412C394-V410 PolarHBondContact N-O 2.84Å; C394-V410 PolarHBondContact O-N 3.44Å; C394-L412 HydrophobicContact CB-CD2 4.22Å
395V94.4Very high90.2Very high0 Ų052.8 Ų52.80%028%0.28CS..EExtended strand (participates in β ladder)trans-102.8119.8165.1-178.10000107.5V382 S383 Y393 R407 R408 L409 V520 W524 F525V382-V395 HydrophobicContact CB-CG1 4.26Å; V382-V395 WeakPolarHBondContact CB-O 3.44Å; V382-V395 PolarHBondContact N-O 3.5Å; S383-V395 PolarHBondContact N-O 3.08Å; S383-V395 PolarHBondContact O-N 3.49Å; Y393-V395 HydrophobicContact CD2-CG2 4.43Å; Y393-V395 HydrophobicContact CE2-CG2 4.35Å; V395-R407 HydrophobicContact CG1-CG 3.83Å; V395-R408 CarbonylContact C-O 3.51Å; V395-R408 VanDerWaalsContact CA-O 3.29Å; V395-R408 WeakPolarHBondContact CA-O 3.31Å; V395-L409 HydrophobicContact CG2-CD1 4.23Å; V395-V520 HydrophobicContact CG2-CG1 3.77Å; V395-W524 HydrophobicContact CG1-CB 3.93Å; V395-W524 HydrophobicContact CG1-CG 4.13Å; V395-W524 HydrophobicContact CG2-CG 4.33Å; V395-F525 HydrophobicContact CG1-CE2 4.21Å; V395-F525 HydrophobicContact CG1-CZ 4.31Å; V395-F525 HydrophobicContact CG2-CE2 4.33Å
396E92.9Very high90.1Very high2 Ų252.9 Ų52.91%0.00928%0.275CS..EExtended strand (participates in β ladder)trans-129.4143.1-176.160.4-175.8-147.400112R335 R379 E380 V398 R407 R408R335-E396 IonicContact NE-OE1 3.66Å; R335-E396 IonicContact NE-OE2 2.82Å; R335-E396 IonicContact NH2-OE1 3.42Å; R379-E396 WeakPolarHBondContact CD-OE2 3.13Å; R379-E396 HydrophobicContact CG-CB 4.26Å; R379-E396 IonicContact CZ-OE1 2.68Å; R379-E396 IonicContact CZ-OE2 3.42Å; R379-E396 IonicContact NE-OE1 3.65Å; R379-E396 PolarHBondContact NE-OE1 3.31Å; R379-E396 IonicContact NE-OE2 3.07Å; R379-E396 PolarHBondContact NE-OE2 2.83Å; R379-E396 IonicContact NH2-OE1 3.87Å; R379-E396 PolarHBondContact NH2-OE1 3.5Å; E380-E396 CarbonylContact O-C 3.51Å; E380-E396 VanDerWaalsContact O-CA 3.24Å; E380-E396 WeakPolarHBondContact O-CA 2.94Å; E396-V398 HydrophobicContact CG-CG1 4.26Å; E396-R407 CarbonylContact O-C 3.57Å; E396-R407 WeakPolarHBondContact O-CA 3.43Å; E396-R408 HydrophobicContact CG-CB 4.03Å; E396-R408 PolarHBondContact N-O 3.41Å; E396-R408 PolarHBondContact O-N 3.5Å
397N93.6Very high90.1Very high0 Ų049 Ų490%025%0.249CC..EExtended strand (participates in β ladder)trans-91.7135.9165-60.6-29.9000108.5W378 R379 E380 V382 Y406 R407 L424 S446W378-N397 HydrophobicContact CH2-CB 3.56Å; W378-N397 HydrophobicContact CZ3-CB 3.58Å; W378-N397 WeakPolarHBondContact CZ3-O 3.31Å; R379-N397 WeakPolarHBondContact CA-O 3.43Å; E380-N397 HydrophobicContact CB-CB 4.35Å; E380-N397 PolarHBondContact N-O 2.93Å; E380-N397 PolarHBondContact O-N 3.17Å; E380-N397 PolarHBondContact OE2-ND2 3.07Å; V382-N397 HydrophobicContact CG2-CB 4.26Å; V382-N397 VanDerWaalsContact CG2-ND2 3.33Å; V382-N397 WeakPolarHBondContact CG2-ND2 3.31Å; V382-N397 WeakPolarHBondContact CG2-OD1 3.42Å; N397-Y406 CarbonylContact C-O 3.5Å; N397-Y406 VanDerWaalsContact CA-O 3.28Å; N397-Y406 WeakPolarHBondContact CA-O 3.4Å; N397-R407 PolarHBondContact OD1-NE 3.25Å; N397-R407 PolarHBondContact OD1-NH2 2.88Å; N397-R407 VanDerWaalsContact OD1-NH2 3.1Å; N397-L424 WeakPolarHBondContact OD1-CD1 3.25Å; N397-S446 PolarHBondContact ND2-OG 3.01Å; N397-S446 VanDerWaalsContact ND2-OG 3.12Å
398V91.8Very high90.1Very high0 Ų050 Ų500%025%0.253CS..EExtended strand (participates in β ladder)trans-133.5161.2176.4-60.90000110.6R379 E396 L405 Y406 R408R379-V398 HydrophobicContact CB-CG1 4.38Å; R379-V398 HydrophobicContact CG-CG1 4.39Å; E396-V398 HydrophobicContact CG-CG1 4.26Å; V398-L405 WeakPolarHBondContact O-CA 3.32Å; V398-Y406 PolarHBondContact N-O 3.26Å; V398-Y406 PolarHBondContact O-N 2.87Å; V398-R408 HydrophobicContact CG2-CG 4.28Å
399R88.6Confident90.2Very high116 Ų11640.6 Ų40.644%0.43821%0.209SC..EExtended strand (participates in β ladder)trans-96.8123.7169.7-171.7177.3-65.6-90.2-0.9109.4W378 G403 E404 L405W378-R399 PolarHBondContact O-N 2.94Å; R399-G403 PolarHBondContact NH1-O 3.5Å; R399-E404 WeakPolarHBondContact CA-O 3.48Å; R399-L405 HydrophobicContact CB-CD2 4.3Å
400G83.5Confident90.3Very high15 Ų1536.3 Ų36.316%0.15519%0.186CC..  trans-71.9168.917500000112.3D402 G403 E404G400-D402 PolarHBondContact O-N 2.77Å; G400-G403 PolarHBondContact O-N 2.86Å; G400-E404 PolarHBondContact N-O 2.9Å
401E76.5Confident90.4Very high149 Ų14936.6 Ų36.670%0.69619%0.187SC*.THydrogen-bonded Turntrans-67.3-25.4176.6-62.5-170.7167.700112.6G403E401-G403 PolarHBondContact O-N 3.37Å
402D83.2Confident90.2Very high92 Ų9236.6 Ų36.649%0.49218%0.18SC..THydrogen-bonded Turntrans-71.7-7.1170.761.8-2.6000113.5G400 E404 Y406G400-D402 PolarHBondContact O-N 2.77Å; D402-E404 VanDerWaalsContact C-N 3.27Å; D402-E404 PolarHBondContact O-N 2.97Å; D402-E404 WeakPolarHBondContact OD1-CB 3.33Å; D402-E404 PolarHBondContact OD1-N 2.85Å; D402-Y406 WeakPolarHBondContact OD1-CE2 3.38Å; D402-Y406 PolarHBondContact OD2-OH 2.87Å
403G83.9Confident89.6Confident33 Ų3336.2 Ų36.234%0.3419%0.189SC..SBendtrans83.8-4.5-177.700000114.5R399 G400 E401R399-G403 PolarHBondContact NH1-O 3.5Å; G400-G403 PolarHBondContact O-N 2.86Å; E401-G403 PolarHBondContact O-N 3.37Å
404E89.8Confident88.9Confident96 Ų9637.6 Ų37.645%0.44920%0.198SC..  trans-76.6166.5176.8-62.9-60.4143.600111.1R399 G400 D402 Y406R399-E404 WeakPolarHBondContact CA-O 3.48Å; G400-E404 PolarHBondContact N-O 2.9Å; D402-E404 VanDerWaalsContact C-N 3.27Å; D402-E404 PolarHBondContact O-N 2.97Å; D402-E404 WeakPolarHBondContact OD1-CB 3.33Å; D402-E404 PolarHBondContact OD1-N 2.85Å; E404-Y406 HydrophobicContact CB-CE2 3.88Å
405L93Very high88.1Confident28 Ų2840.4 Ų40.415%0.14721%0.212CC..EExtended strand (participates in β ladder)trans-102136.1179.5-65.9178.6000110.5W378 V398 R399 L424 L449W378-L405 HydrophobicContact CE3-CD2 4.22Å; W378-L405 HydrophobicContact CZ3-CD2 3.91Å; V398-L405 WeakPolarHBondContact O-CA 3.32Å; R399-L405 HydrophobicContact CB-CD2 4.3Å; L405-L424 HydrophobicContact CB-CB 4.08Å; L405-L424 HydrophobicContact CB-CD1 4.43Å; L405-L424 PolarHBondContact O-N 3.39Å; L405-L449 HydrophobicContact CD1-CD1 3.94Å; L405-L449 HydrophobicContact CD1-CD2 4.32Å
406Y93.6Very high87.2Confident19 Ų1944.4 Ų44.48%0.07524%0.24CC..EExtended strand (participates in β ladder)trans-127145.3179-65.5-87.8000110.1N397 V398 D402 E404 E421 S422 R423 F455N397-Y406 CarbonylContact C-O 3.5Å; N397-Y406 VanDerWaalsContact CA-O 3.28Å; N397-Y406 WeakPolarHBondContact CA-O 3.4Å; V398-Y406 PolarHBondContact N-O 3.26Å; V398-Y406 PolarHBondContact O-N 2.87Å; D402-Y406 WeakPolarHBondContact OD1-CE2 3.38Å; D402-Y406 PolarHBondContact OD2-OH 2.87Å; E404-Y406 HydrophobicContact CB-CE2 3.88Å; Y406-E421 HydrophobicContact CD1-CG 3.92Å; Y406-E421 HydrophobicContact CG-CG 4.28Å; Y406-S422 CarbonylContact C-O 3.49Å; Y406-S422 WeakPolarHBondContact CA-O 3.24Å; Y406-R423 HydrophobicContact CD1-CB 4.03Å; Y406-R423 HydrophobicContact CD1-CG 4.37Å; Y406-R423 HydrophobicContact CE1-CB 3.75Å; Y406-R423 HydrophobicContact CE1-CG 3.91Å; Y406-F455 HydrophobicContact CE1-CE1 4.12Å
407R95Very high86.6Confident16 Ų1647.5 Ų47.56%0.0626%0.256CS..EExtended strand (participates in β ladder)trans-104133168.3-177.1161.4-70.9169.50.6109.4V395 E396 N397 E421 S422 L424 S446 W524 F525V395-R407 HydrophobicContact CG1-CG 3.83Å; E396-R407 CarbonylContact O-C 3.57Å; E396-R407 WeakPolarHBondContact O-CA 3.43Å; N397-R407 PolarHBondContact OD1-NE 3.25Å; N397-R407 PolarHBondContact OD1-NH2 2.88Å; N397-R407 VanDerWaalsContact OD1-NH2 3.1Å; R407-E421 CarbonylContact O-C 3.48Å; R407-E421 VanDerWaalsContact O-CA 3.26Å; R407-E421 WeakPolarHBondContact O-CA 3.47Å; R407-S422 PolarHBondContact N-O 2.75Å; R407-S422 PolarHBondContact O-N 3.4Å; R407-L424 HydrophobicContact CB-CD1 4.09Å; R407-L424 HydrophobicContact CB-CD2 3.97Å; R407-L424 HydrophobicContact CB-CG 4.1Å; R407-S446 PolarHBondContact NH2-OG 2.81Å; R407-W524 WeakPolarHBondContact CD-O 3.44Å; R407-W524 PolarHBondContact NH1-O 3.02Å; R407-F525 HydrophobicContact CB-CE1 4.3Å; R407-F525 HydrophobicContact CG-CD1 4.44Å; R407-F525 HydrophobicContact CG-CE1 3.83Å; R407-F525 HydrophobicContact CG-CZ 3.87Å
408R94.4Very high86.3Confident27 Ų2749.2 Ų49.210%0.10227%0.267CS..EExtended strand (participates in β ladder)trans-123.6142.5-177.5-68.2-179.31751685.7111.8G303 V395 E396 V398 V410 V418 S420 E421G303-R408 PolarHBondContact O-NH1 3.17Å; V395-R408 CarbonylContact C-O 3.51Å; V395-R408 VanDerWaalsContact CA-O 3.29Å; V395-R408 WeakPolarHBondContact CA-O 3.31Å; E396-R408 HydrophobicContact CG-CB 4.03Å; E396-R408 PolarHBondContact N-O 3.41Å; E396-R408 PolarHBondContact O-N 3.5Å; V398-R408 HydrophobicContact CG2-CG 4.28Å; R408-V410 HydrophobicContact CB-CG2 4.33Å; R408-V418 HydrophobicContact CB-CG1 4.01Å; R408-V418 HydrophobicContact CG-CG1 3.8Å; R408-S420 CarbonylContact C-O 3.53Å; R408-S420 VanDerWaalsContact CA-O 3.26Å; R408-S420 WeakPolarHBondContact CA-O 3.37Å; R408-E421 HydrophobicContact CG-CB 4.39Å; R408-E421 HydrophobicContact CG-CG 4Å; R408-E421 IonicContact CZ-OE1 3.37Å; R408-E421 IonicContact NE-OE1 3.68Å; R408-E421 PolarHBondContact NE-OE1 2.82Å; R408-E421 IonicContact NH2-OE1 2.8Å; R408-E421 PolarHBondContact NH2-OE1 3.48Å
409L93.6Very high86.1Confident3 Ų351.4 Ų51.42%0.01628%0.277CS..EExtended strand (participates in β ladder)trans-101.8128.5163.1176.557.1000107.7Y393 V395 F411 Q419 S420 V520 F525Y393-L409 HydrophobicContact CD2-CD1 3.83Å; Y393-L409 HydrophobicContact CG-CD1 4.33Å; V395-L409 HydrophobicContact CG2-CD1 4.23Å; L409-F411 HydrophobicContact CD1-CE1 4.41Å; L409-F411 HydrophobicContact CD2-CE1 4.36Å; L409-F411 HydrophobicContact CD2-CZ 4.47Å; L409-F411 HydrophobicContact CG-CE1 4.41Å; L409-Q419 HydrophobicContact CB-CB 4.44Å; L409-Q419 HydrophobicContact CG-CB 4.2Å; L409-Q419 WeakPolarHBondContact O-CB 3.3Å; L409-Q419 PolarHBondContact O-N 3.34Å; L409-S420 PolarHBondContact N-O 3.43Å; L409-S420 PolarHBondContact O-N 3.42Å; L409-V520 HydrophobicContact CD1-CG1 4.1Å; L409-V520 HydrophobicContact CD2-CG1 4.19Å; L409-F525 HydrophobicContact CB-CE2 4.01Å; L409-F525 HydrophobicContact CB-CZ 3.65Å
410V91Very high86.2Confident0 Ų046.7 Ų46.70%026%0.262CS..EExtended strand (participates in β ladder)trans-132.5126.1178.6-1740000109Y393 C394 R408Y393-V410 CarbonylContact C-O 3.48Å; Y393-V410 VanDerWaalsContact CA-O 3.31Å; Y393-V410 WeakPolarHBondContact CA-O 3.4Å; C394-V410 PolarHBondContact N-O 2.84Å; C394-V410 PolarHBondContact O-N 3.44Å; R408-V410 HydrophobicContact CB-CG2 4.33Å
411F89.9Confident86.7Confident13 Ų1348.2 Ų48.26%0.05727%0.265CS..EExtended strand (participates in β ladder)trans-82.4127.4167.2-60.8-37.1000109.3L409 S413 N414 I415 Q419 V517L409-F411 HydrophobicContact CD1-CE1 4.41Å; L409-F411 HydrophobicContact CD2-CE1 4.36Å; L409-F411 HydrophobicContact CD2-CZ 4.47Å; L409-F411 HydrophobicContact CG-CE1 4.41Å; F411-S413 PolarHBondContact O-N 3.11Å; F411-N414 CarbonylContact O-C 3.59Å; F411-N414 PolarHBondContact O-N 2.78Å; F411-I415 PolarHBondContact O-N 2.84Å; F411-Q419 HydrophobicContact CB-CG 4.43Å; F411-Q419 HydrophobicContact CD2-CG 3.39Å; F411-Q419 HydrophobicContact CE2-CB 4.37Å; F411-Q419 VanDerWaalsContact CE2-CD 3.47Å; F411-Q419 HydrophobicContact CE2-CG 3.63Å; F411-Q419 VanDerWaalsContact CE2-OE1 3.25Å; F411-Q419 HydrophobicContact CG-CG 3.88Å; F411-Q419 HydrophobicContact CZ-CG 4.32Å; F411-V517 HydrophobicContact CE1-CG2 4.39Å; F411-V517 HydrophobicContact CZ-CG2 3.87Å
412L86.1Confident87.5Confident28 Ų2841.5 Ų41.515%0.14724%0.235CC..G310 helixtrans-74.4-13.8-176.1-57.7-176000112.7R384 E392 C394 N414 I415R384-L412 VanDerWaalsContact NH1-CD1 3.29Å; E392-L412 HydrophobicContact CB-CB 4.13Å; E392-L412 HydrophobicContact CB-CD1 3.91Å; E392-L412 HydrophobicContact CB-CG 4.26Å; E392-L412 PolarHBondContact O-N 2.97Å; C394-L412 HydrophobicContact CB-CD2 4.22Å; L412-N414 VanDerWaalsContact C-N 3.26Å; L412-I415 HydrophobicContact CD2-CG2 4.46Å; L412-I415 WeakPolarHBondContact O-CG2 3.45Å
413S80.9Confident88.1Confident96 Ų9639.1 Ų39.167%0.67122%0.219SC*.G310 helixtrans-66.5-26.7166.252.10000112.6F411F411-S413 PolarHBondContact O-N 3.11Å
414N77.6Confident88.5Confident54 Ų5437.8 Ų37.829%0.28920%0.204SC..G310 helixtrans-136.570.1176.5-169.9-3.6000111.1F411 L412 S416 L417F411-N414 CarbonylContact O-C 3.59Å; F411-N414 PolarHBondContact O-N 2.78Å; L412-N414 VanDerWaalsContact C-N 3.26Å; N414-S416 PolarHBondContact O-N 2.7Å; N414-L417 PolarHBondContact O-N 3.47Å; N414-L417 VanDerWaalsContact O-N 3.1Å
415I77.2Confident88.6Confident62 Ų6236 Ų3632%0.31820%0.197SC..THydrogen-bonded Turntrans-57.7-19.8-176.259.8167.8000114.7R335 F411 L412 L417R335-I415 VanDerWaalsContact CZ-O 3.3Å; R335-I415 PolarHBondContact NH1-O 2.79Å; R335-I415 PolarHBondContact NH2-O 2.93Å; R335-I415 VanDerWaalsContact NH2-O 3.16Å; F411-I415 PolarHBondContact O-N 2.84Å; L412-I415 HydrophobicContact CD2-CG2 4.46Å; L412-I415 WeakPolarHBondContact O-CG2 3.45Å; I415-L417 VanDerWaalsContact C-N 3.33Å
416S75.1Confident88.3Confident84 Ų8439.6 Ų39.659%0.58722%0.222SC*.THydrogen-bonded Turntrans-83.1-12.9-177.1-59.10000112.8T306 N414T306-S416 WeakPolarHBondContact CG2-O 3.46Å; N414-S416 PolarHBondContact O-N 2.7Å
417L79.4Confident87.4Confident66 Ų6640.7 Ų40.735%0.34623%0.232SC..  trans-112.8123.7-176.7-175.360.2000110.5N414 I415N414-L417 PolarHBondContact O-N 3.47Å; N414-L417 VanDerWaalsContact O-N 3.1Å; I415-L417 VanDerWaalsContact C-N 3.33Å
418V87.3Confident85.7Confident36 Ų3643.6 Ų43.622%0.21826%0.26CS..  trans-80.3118.3167.3179.30000107.2T306 R408 E421T306-V418 HydrophobicContact CG2-CG2 4.05Å; R408-V418 HydrophobicContact CB-CG1 4.01Å; R408-V418 HydrophobicContact CG-CG1 3.8Å; V418-E421 HydrophobicContact CG1-CB 4.26Å
419Q87.8Confident83.4Confident46 Ų4647.4 Ų47.422%0.21529%0.29CS..  trans-77-39.1-175.8-71.5-73-4300111.7L409 F411 D563L409-Q419 HydrophobicContact CB-CB 4.44Å; L409-Q419 HydrophobicContact CG-CB 4.2Å; L409-Q419 WeakPolarHBondContact O-CB 3.3Å; L409-Q419 PolarHBondContact O-N 3.34Å; F411-Q419 HydrophobicContact CB-CG 4.43Å; F411-Q419 HydrophobicContact CD2-CG 3.39Å; F411-Q419 HydrophobicContact CE2-CB 4.37Å; F411-Q419 VanDerWaalsContact CE2-CD 3.47Å; F411-Q419 HydrophobicContact CE2-CG 3.63Å; F411-Q419 VanDerWaalsContact CE2-OE1 3.25Å; F411-Q419 HydrophobicContact CG-CG 3.88Å; F411-Q419 HydrophobicContact CZ-CG 4.32Å; Q419-D563 PolarHBondContact NE2-OD2 3.23Å; Q419-D563 VanDerWaalsContact NE2-OD2 3.1Å
420S91.7Very high80.8Confident18 Ų1851.5 Ų51.513%0.12632%0.319CS..EExtended strand (participates in β ladder)trans-152.4146.2174.6-64.50000110.2R408 L409 G492R408-S420 CarbonylContact C-O 3.53Å; R408-S420 VanDerWaalsContact CA-O 3.26Å; R408-S420 WeakPolarHBondContact CA-O 3.37Å; L409-S420 PolarHBondContact N-O 3.43Å; L409-S420 PolarHBondContact O-N 3.42Å; S420-G492 PolarHBondContact OG-N 2.9Å
421E93.4Very high78.3Confident47 Ų4761 Ų6122%0.2236%0.363CS..EExtended strand (participates in β ladder)trans-133.6144.8178.4-170.2173.8-119.700110.3Y406 R407 R408 V418 C457Y406-E421 HydrophobicContact CD1-CG 3.92Å; Y406-E421 HydrophobicContact CG-CG 4.28Å; R407-E421 CarbonylContact O-C 3.48Å; R407-E421 VanDerWaalsContact O-CA 3.26Å; R407-E421 WeakPolarHBondContact O-CA 3.47Å; R408-E421 HydrophobicContact CG-CB 4.39Å; R408-E421 HydrophobicContact CG-CG 4Å; R408-E421 IonicContact CZ-OE1 3.37Å; R408-E421 IonicContact NE-OE1 3.68Å; R408-E421 PolarHBondContact NE-OE1 2.82Å; R408-E421 IonicContact NH2-OE1 2.8Å; R408-E421 PolarHBondContact NH2-OE1 3.48Å; V418-E421 HydrophobicContact CG1-CB 4.26Å; E421-C457 HydrophobicContact CB-CB 4Å; E421-C457 HydrophobicContact CG-CB 4.17Å
422S94.3Very high75.8Confident8 Ų869.8 Ų69.86%0.05640%0.401CS..EExtended strand (participates in β ladder)trans-145134.8174.2-64.70000110.8Y406 R407 C457Y406-S422 CarbonylContact C-O 3.49Å; Y406-S422 WeakPolarHBondContact CA-O 3.24Å; R407-S422 PolarHBondContact N-O 2.75Å; R407-S422 PolarHBondContact O-N 3.4Å; S422-C457 VanDerWaalsContact CA-SG 3.55Å
423R94.6Very high73.5Confident42 Ų4278.4 Ų78.416%0.15844%0.438CS..EExtended strand (participates in β ladder)trans-70.2139.2176.3-168.6171.169.5-170.54.3110.6Y406 D452 F455 C457Y406-R423 HydrophobicContact CD1-CB 4.03Å; Y406-R423 HydrophobicContact CD1-CG 4.37Å; Y406-R423 HydrophobicContact CE1-CB 3.75Å; Y406-R423 HydrophobicContact CE1-CG 3.91Å; R423-D452 HydrophobicContact CB-CB 4.44Å; R423-D452 IonicContact CZ-OD2 2.72Å; R423-D452 IonicContact NE-OD2 3.08Å; R423-D452 PolarHBondContact NE-OD2 3.18Å; R423-D452 IonicContact NH2-OD2 3.83Å; R423-D452 PolarHBondContact NH2-OD2 3.1Å; R423-D452 PolarHBondContact O-N 2.94Å; R423-F455 HydrophobicContact CB-CB 4.49Å; R423-F455 HydrophobicContact CB-CD1 3.6Å; R423-F455 HydrophobicContact CB-CE1 4.19Å; R423-F455 HydrophobicContact CB-CG 4.3Å; R423-F455 HydrophobicContact CG-CD1 4.46Å; R423-F455 VanDerWaalsContact CZ-CD2 3.47Å; R423-F455 VanDerWaalsContact CZ-CG 3.48Å; R423-C457 PolarHBondContact N-SG 2.91Å; R423-C457 VanDerWaalsContact N-SG 3.39Å
424L93.6Very high71.3Confident4 Ų483.8 Ų83.82%0.02145%0.449CS..EExtended strand (participates in β ladder)trans-104.6136.7179.2-62.7178.4000110.8N397 L405 R407 L449 S450 V451N397-L424 WeakPolarHBondContact OD1-CD1 3.25Å; L405-L424 HydrophobicContact CB-CB 4.08Å; L405-L424 HydrophobicContact CB-CD1 4.43Å; L405-L424 PolarHBondContact O-N 3.39Å; R407-L424 HydrophobicContact CB-CD1 4.09Å; R407-L424 HydrophobicContact CB-CD2 3.97Å; R407-L424 HydrophobicContact CB-CG 4.1Å; L424-L449 HydrophobicContact CB-CB 4.39Å; L424-L449 HydrophobicContact CD1-CB 4.37Å; L424-L449 HydrophobicContact CD1-CD1 3.86Å; L424-S450 WeakPolarHBondContact CA-O 3.11Å; L424-V451 HydrophobicContact CD2-CG2 3.98Å
425I90.8Very high69.2Low60 Ų6089.2 Ų89.231%0.30848%0.478SS..EExtended strand (participates in β ladder)trans-121.8152.217453.7170.8000110.5S427 L449 S450 D452I425-S427 PolarHBondContact O-N 3.37Å; I425-L449 WeakPolarHBondContact O-CA 3.27Å; I425-S450 WeakPolarHBondContact CG1-O 3.48Å; I425-S450 PolarHBondContact N-O 3.2Å; I425-S450 PolarHBondContact O-N 3.42Å; I425-S450 PolarHBondContact O-OG 3.07Å; I425-D452 HydrophobicContact CD1-CB 4.19Å; I425-D452 HydrophobicContact CG1-CB 4.19Å; I425-D452 HydrophobicContact CG2-CB 3.94Å
426P86.7Confident67.5Low103 Ų10396.2 Ų96.267%0.66951%0.506SS*.EExtended strand (participates in β ladder)trans-61.4130.8175.1-22.433.4000112.3
427S76.1Confident65.5Low42 Ų42101.4 Ų101.429%0.29452%0.518SS..  trans-69.1130.7177.5-176.80000111.2I425 S429 C448I425-S427 PolarHBondContact O-N 3.37Å; S427-S429 PolarHBondContact O-N 3.08Å; S427-S429 VanDerWaalsContact O-N 3.16Å; S427-S429 PolarHBondContact OG-OG 2.95Å; S427-C448 WeakPolarHBondContact CB-O 3.19Å; S427-C448 PolarHBondContact N-O 3.31Å
428A57.3Low63.7Low77 Ų77108.6 Ų108.664%0.63655%0.547SS*.THydrogen-bonded Turntrans-75.84.3-173.500000115.1
429S48.1Very low61.1Low106 Ų106113 Ų11374%0.74157%0.574SS**THydrogen-bonded Turntrans-89.75.4-168.7600000116.3S427S427-S429 PolarHBondContact O-N 3.08Å; S427-S429 VanDerWaalsContact O-N 3.16Å; S427-S429 PolarHBondContact OG-OG 2.95Å
430S37.7Very low58.7Low90 Ų90120.5 Ų120.563%0.62961%0.606SS**  trans-103.286.5173.564.40000112.8K432S430-K432 VanDerWaalsContact C-N 3.26Å; S430-K432 PolarHBondContact O-N 3.22Å
431H37.9Very low56.2Low200 Ų200124.7 Ų124.793%0.92664%0.641SS**  trans-61.990.6156.1-87.7-60.1000109.4
432K39Very low53.8Low196 Ų196126.7 Ų126.785%0.85267%0.666SS**  trans-126.9128.2159.8-87.8-174.8178.9173.10111.1S430S430-K432 VanDerWaalsContact C-N 3.26Å; S430-K432 PolarHBondContact O-N 3.22Å
433K36.7Very low51.7Low209 Ų209130.9 Ų130.991%0.90969%0.691SS**  trans-41.3132-177.2-75.5170.8171.8173.40112.8N435K433-N435 PolarHBondContact O-N 2.67Å; K433-N435 VanDerWaalsContact O-N 3.09Å
434K34.7Very low49.7Very low210 Ų210131.9 Ų131.991%0.91370%0.701SS**  trans-46113.4162-89.9176.5173.41700109.5
435N34.6Very low48.1Very low167 Ų167135.6 Ų135.689%0.89373%0.726SS**  trans-130.1120.7148.6-132.10.9000108.9K433 K437K433-N435 PolarHBondContact O-N 2.67Å; K433-N435 VanDerWaalsContact O-N 3.09Å; N435-K437 PolarHBondContact O-N 3.06Å
436K40.7Very low46.7Very low209 Ų209134 Ų13491%0.90972%0.72SS**  trans-85.3104.9-166.2-151.6-178.8-169.7-178.60108.2
437K34.3Very low45.5Very low193 Ų193133.8 Ų133.884%0.83973%0.727SS**  trans-141.4113.5159.1-125.9178.6-177.6179.90109.2N435 T439N435-K437 PolarHBondContact O-N 3.06Å; K437-T439 PolarHBondContact O-N 3.39Å
438K41.5Very low45.4Very low218 Ų218134.4 Ų134.495%0.94873%0.731SS**  trans-67.6111.2172-86-177.5171.5-177.10107.9
439T31.9Very low46.8Very low128 Ų128131.7 Ų131.779%0.78571%0.705SS**  trans-142.5147.2166.215.50000108.3K437K437-T439 PolarHBondContact O-N 3.39Å
440K37.4Very low48.7Very low204 Ų204128.8 Ų128.889%0.88769%0.685SS**  trans-36.2143-171.6-76.2177170.5-178.20114.6A442K440-A442 PolarHBondContact O-N 3.42Å
441A38.7Very low51.3Low106 Ų106126.1 Ų126.188%0.87667%0.665SS**  trans-41.3100.1178.800000112.1
442A42.6Very low53.9Low88 Ų88117.6 Ų117.673%0.72763%0.626SS**PPolyproline II helixtrans-81.2135.1172.300000108.6K440 T444K440-A442 PolarHBondContact O-N 3.42Å; A442-T444 PolarHBondContact O-N 3.32Å
443V50.8Low56.2Low96 Ų96109.3 Ų109.358%0.58259%0.593SS**PPolyproline II helixtrans-57.1116.6176.4-178.50000108.9W378W378-V443 HydrophobicContact CZ2-CG1 4.12Å
444T52.9Low58.7Low63 Ų6399.4 Ų99.439%0.38755%0.55SS..PPolyproline II helixtrans-70.3125.5175.4-50.70000108.4A442 C448 L449A442-T444 PolarHBondContact O-N 3.32Å; T444-C448 HydrophobicContact CG2-CB 3.87Å; T444-L449 HydrophobicContact CG2-CD2 4.17Å
445P59.8Low61.4Low83 Ų8391.8 Ų91.854%0.53952%0.517SS..PPolyproline II helixtrans-58.2139.5177.9-2130.6000111.4A447 C448P445-A447 PolarHBondContact O-N 3.49Å; P445-C448 WeakPolarHBondContact O-CB 3.36Å; P445-C448 PolarHBondContact O-N 3.18Å
446S60.5Low64.2Low25 Ų2584.2 Ų84.218%0.17548%0.476CS..G310 helixtrans-50.8-31.9179.8-172.20000113.4N397 R407 C448 L449N397-S446 PolarHBondContact ND2-OG 3.01Å; N397-S446 VanDerWaalsContact ND2-OG 3.12Å; R407-S446 PolarHBondContact NH2-OG 2.81Å; S446-C448 PolarHBondContact O-N 3.07Å; S446-C448 VanDerWaalsContact O-N 3.12Å; S446-L449 PolarHBondContact O-N 3.02Å
447A61.6Low66.5Low99 Ų9975.7 Ų75.782%0.81844%0.443SS*.G310 helixtrans-63.8-13.4176.300000115.1P445P445-A447 PolarHBondContact O-N 3.49Å
448C75.2Confident69.1Low55 Ų5568 Ų6837%0.37241%0.413SS..G310 helixtrans-103.811.1179.2-66.90000113S427 T444 P445 S446S427-C448 WeakPolarHBondContact CB-O 3.19Å; S427-C448 PolarHBondContact N-O 3.31Å; T444-C448 HydrophobicContact CG2-CB 3.87Å; P445-C448 WeakPolarHBondContact O-CB 3.36Å; P445-C448 PolarHBondContact O-N 3.18Å; S446-C448 PolarHBondContact O-N 3.07Å; S446-C448 VanDerWaalsContact O-N 3.12Å
449L85.9Confident71.4Confident20 Ų2059 Ų5911%0.10538%0.38CS..EExtended strand (participates in β ladder)trans-111.7145.1-178.4-60.2175.2000110.8L405 L424 I425 T444 S446L405-L449 HydrophobicContact CD1-CD1 3.94Å; L405-L449 HydrophobicContact CD1-CD2 4.32Å; L424-L449 HydrophobicContact CB-CB 4.39Å; L424-L449 HydrophobicContact CD1-CB 4.37Å; L424-L449 HydrophobicContact CD1-CD1 3.86Å; I425-L449 WeakPolarHBondContact O-CA 3.27Å; T444-L449 HydrophobicContact CG2-CD2 4.17Å; S446-L449 PolarHBondContact O-N 3.02Å
450S89.3Confident74.2Confident45 Ų4553.9 Ų53.932%0.31535%0.346SS..EExtended strand (participates in β ladder)trans-130.9152.3173.554.50000110.4L424 I425L424-S450 WeakPolarHBondContact CA-O 3.11Å; I425-S450 WeakPolarHBondContact CG1-O 3.48Å; I425-S450 PolarHBondContact N-O 3.2Å; I425-S450 PolarHBondContact O-N 3.42Å; I425-S450 PolarHBondContact O-OG 3.07Å
451V92.2Very high77Confident35 Ų3545.4 Ų45.421%0.21231%0.31CS..EExtended strand (participates in β ladder)trans-68.7135.9174.6171.60000110.7L424 S453 F525L424-V451 HydrophobicContact CD2-CG2 3.98Å; V451-S453 PolarHBondContact O-N 2.99Å; V451-F525 WeakPolarHBondContact CG2-O 3.32Å
452D91.4Very high79.6Confident21 Ų2141.9 Ų41.911%0.11228%0.276CS..  trans-82.894.4171.2-172.7-3.2000110R423 I425 G454 F455R423-D452 HydrophobicContact CB-CB 4.44Å; R423-D452 IonicContact CZ-OD2 2.72Å; R423-D452 IonicContact NE-OD2 3.08Å; R423-D452 PolarHBondContact NE-OD2 3.18Å; R423-D452 IonicContact NH2-OD2 3.83Å; R423-D452 PolarHBondContact NH2-OD2 3.1Å; R423-D452 PolarHBondContact O-N 2.94Å; I425-D452 HydrophobicContact CD1-CB 4.19Å; I425-D452 HydrophobicContact CG1-CB 4.19Å; I425-D452 HydrophobicContact CG2-CB 3.94Å; D452-G454 PolarHBondContact O-N 3.38Å; D452-G454 VanDerWaalsContact O-N 3.16Å; D452-G454 PolarHBondContact OD1-N 3.41Å; D452-F455 HydrophobicContact CB-CB 4.39Å; D452-F455 PolarHBondContact O-N 3.44Å
453S88Confident82.1Confident22 Ų2237.8 Ų37.815%0.15424%0.242CC..THydrogen-bonded Turntrans-65.2-17.9-17866.10000113.4V451 F455 F498 D501 F502V451-S453 PolarHBondContact O-N 2.99Å; S453-F455 VanDerWaalsContact C-N 3.3Å; S453-F455 PolarHBondContact O-N 2.87Å; S453-F498 WeakPolarHBondContact O-CD2 3.21Å; S453-D501 WeakPolarHBondContact CB-OD2 3.31Å; S453-D501 PolarHBondContact OG-OD2 2.9Å; S453-F502 VanDerWaalsContact O-CE2 3.3Å; S453-F502 WeakPolarHBondContact O-CE2 3.03Å
454G89.3Confident84.3Confident0 Ų033.2 Ų33.20%021%0.214CC..THydrogen-bonded Turntrans-79.4-7.8178.200000114.5D452 L675D452-G454 PolarHBondContact O-N 3.38Å; D452-G454 VanDerWaalsContact O-N 3.16Å; D452-G454 PolarHBondContact OD1-N 3.41Å; G454-L675 WeakPolarHBondContact O-CB 3.48Å; G454-L675 PolarHBondContact O-N 3.01Å
455F91.7Very high86.3Confident50 Ų5030.2 Ų30.222%0.21920%0.195CC..  trans-114.5121.3-177.1-173.1-99.9000111.2Y406 R423 D452 S453 C457 L675Y406-F455 HydrophobicContact CE1-CE1 4.12Å; R423-F455 HydrophobicContact CB-CB 4.49Å; R423-F455 HydrophobicContact CB-CD1 3.6Å; R423-F455 HydrophobicContact CB-CE1 4.19Å; R423-F455 HydrophobicContact CB-CG 4.3Å; R423-F455 HydrophobicContact CG-CD1 4.46Å; R423-F455 VanDerWaalsContact CZ-CD2 3.47Å; R423-F455 VanDerWaalsContact CZ-CG 3.48Å; D452-F455 HydrophobicContact CB-CB 4.39Å; D452-F455 PolarHBondContact O-N 3.44Å; S453-F455 VanDerWaalsContact C-N 3.3Å; S453-F455 PolarHBondContact O-N 2.87Å; F455-C457 HydrophobicContact CE1-CB 4.42Å; F455-L675 HydrophobicContact CB-CD1 4.34Å; F455-L675 HydrophobicContact CD2-CB 4.25Å; F455-L675 HydrophobicContact CD2-CD1 4.16Å
456L92.4Very high87.9Confident8 Ų826.3 Ų26.34%0.04217%0.17CC..  trans-92.3116.6171.3-68170.9000108.4C458 H461 E462 V465 F498 I676L456-C458 VanDerWaalsContact C-N 3.28Å; L456-C458 PolarHBondContact O-N 3.07Å; L456-H461 HydrophobicContact CB-CB 4.4Å; L456-H461 HydrophobicContact CD1-CB 4.22Å; L456-H461 HydrophobicContact CD2-CB 4.24Å; L456-E462 HydrophobicContact CB-CG 3.98Å; L456-E462 HydrophobicContact CD1-CG 4.25Å; L456-V465 HydrophobicContact CD1-CG2 3.94Å; L456-F498 HydrophobicContact CD1-CD1 4.27Å; L456-F498 HydrophobicContact CD1-CD2 4.01Å; L456-F498 HydrophobicContact CD1-CE2 4.23Å; L456-F498 HydrophobicContact CD1-CG 4.03Å; L456-F498 HydrophobicContact CD1-CZ 4.48Å; L456-F498 HydrophobicContact CD2-CB 3.87Å; L456-F498 HydrophobicContact CD2-CD2 4.06Å; L456-F498 HydrophobicContact CD2-CG 4.07Å; L456-F498 HydrophobicContact CG-CB 4.45Å; L456-F498 HydrophobicContact CG-CD2 3.76Å; L456-F498 HydrophobicContact CG-CE2 4.2Å; L456-F498 HydrophobicContact CG-CG 4.1Å; L456-I676 HydrophobicContact CD1-CD1 4.39Å
457C90Very high89.5Confident31 Ų3125.1 Ų25.121%0.20916%0.162CC..SBendtrans-69.6-26.2-179.3-74.50000113.2E421 S422 R423 F455E421-C457 HydrophobicContact CB-CB 4Å; E421-C457 HydrophobicContact CG-CB 4.17Å; S422-C457 VanDerWaalsContact CA-SG 3.55Å; R423-C457 PolarHBondContact N-SG 2.91Å; R423-C457 VanDerWaalsContact N-SG 3.39Å; F455-C457 HydrophobicContact CE1-CB 4.42Å
458C87.6Confident91Very high31 Ų3120.4 Ų20.421%0.20912%0.123CC..  trans-102.4125-174.6-61.20000110.9L456 H460 H461 E462L456-C458 VanDerWaalsContact C-N 3.28Å; L456-C458 PolarHBondContact O-N 3.07Å; C458-H460 VanDerWaalsContact C-N 3.28Å; C458-H460 VanDerWaalsContact CB-CE1 3.42Å; C458-H460 WeakPolarHBondContact CB-CE1 3.35Å; C458-H460 PolarHBondContact O-N 3.19Å; C458-H461 HydrophobicContact CB-CB 4.34Å; C458-H461 WeakPolarHBondContact O-CB 3.47Å; C458-H461 PolarHBondContact O-N 3.45Å; C458-E462 PolarHBondContact O-N 2.98Å
459A89.7Confident91.7Very high30 Ų3017.9 Ų17.925%0.24811%0.106CC..Hα-helixtrans-64.8-31.2-178.400000112.6H461 E462 V463 I628A459-H461 VanDerWaalsContact C-N 3.33Å; A459-H461 PolarHBondContact O-N 3.49Å; A459-E462 WeakPolarHBondContact O-CB 3.33Å; A459-E462 PolarHBondContact O-N 3.09Å; A459-V463 PolarHBondContact O-N 2.8Å; A459-V463 VanDerWaalsContact O-N 3.15Å; A459-I628 HydrophobicContact CB-CG2 3.62Å
460H92.1Very high91.8Very high19 Ų1917.6 Ų17.69%0.08810%0.104CC..Hα-helixtrans-64.6-34.6173.162.4-90.9000112.7C458 E462 V463 M464 N600 I628 E631 N633 V635C458-H460 VanDerWaalsContact C-N 3.28Å; C458-H460 VanDerWaalsContact CB-CE1 3.42Å; C458-H460 WeakPolarHBondContact CB-CE1 3.35Å; C458-H460 PolarHBondContact O-N 3.19Å; H460-E462 VanDerWaalsContact C-N 3.31Å; H460-E462 PolarHBondContact O-N 2.86Å; H460-V463 PolarHBondContact O-N 2.9Å; H460-M464 VanDerWaalsContact O-CG 3.24Å; H460-M464 WeakPolarHBondContact O-CG 3.25Å; H460-M464 PolarHBondContact O-N 2.82Å; H460-N600 PolarHBondContact CD2-ND2 3.34Å; H460-N600 VanDerWaalsContact CD2-ND2 3.3Å; H460-N600 PolarHBondContact NE2-ND2 3.33Å; H460-I628 HydrophobicContact CB-CD1 4.36Å; H460-I628 HydrophobicContact CB-CG1 4Å; H460-E631 IonicContact ND1-OE2 2.67Å; H460-E631 PolarHBondContact ND1-OE2 3.5Å; H460-N633 HydrophobicContact CB-CB 4.13Å; H460-V635 HydrophobicContact CB-CG2 3.81Å
461H94.9Very high91.6Very high27 Ų2715.7 Ų15.713%0.1259%0.09CC..Hα-helixtrans-63.4-38.5173.4-70.4168.2000111.4L456 C458 A459 V463 M464 V465 L495 D561L456-H461 HydrophobicContact CB-CB 4.4Å; L456-H461 HydrophobicContact CD1-CB 4.22Å; L456-H461 HydrophobicContact CD2-CB 4.24Å; C458-H461 HydrophobicContact CB-CB 4.34Å; C458-H461 WeakPolarHBondContact O-CB 3.47Å; C458-H461 PolarHBondContact O-N 3.45Å; A459-H461 VanDerWaalsContact C-N 3.33Å; A459-H461 PolarHBondContact O-N 3.49Å; H461-V463 VanDerWaalsContact C-N 3.33Å; H461-V463 PolarHBondContact O-N 2.89Å; H461-M464 PolarHBondContact O-N 2.89Å; H461-V465 WeakPolarHBondContact O-CG2 3.35Å; H461-V465 PolarHBondContact O-N 2.92Å; H461-L495 HydrophobicContact CB-CD1 4.37Å; H461-D561 IonicContact CD2-OD2 3.89Å; H461-D561 IonicContact CE1-OD2 2.75Å; H461-D561 IonicContact NE2-OD2 3.92Å; H461-D561 PolarHBondContact NE2-OD2 3.17Å
462E94.5Very high91Very high32 Ų3214.6 Ų14.615%0.159%0.086CC..Hα-helixtrans-60.9-43.3174.7-59.4-171.9155.700111.5L456 C458 A459 H460 V465 A466 I676 M681L456-E462 HydrophobicContact CB-CG 3.98Å; L456-E462 HydrophobicContact CD1-CG 4.25Å; C458-E462 PolarHBondContact O-N 2.98Å; A459-E462 WeakPolarHBondContact O-CB 3.33Å; A459-E462 PolarHBondContact O-N 3.09Å; H460-E462 VanDerWaalsContact C-N 3.31Å; H460-E462 PolarHBondContact O-N 2.86Å; E462-V465 PolarHBondContact O-N 2.8Å; E462-A466 VanDerWaalsContact O-CB 3.27Å; E462-A466 WeakPolarHBondContact O-CB 3.3Å; E462-A466 PolarHBondContact O-N 2.85Å; E462-I676 HydrophobicContact CB-CD1 3.75Å; E462-I676 HydrophobicContact CB-CG1 4.12Å; E462-I676 HydrophobicContact CG-CD1 4.16Å; E462-I676 HydrophobicContact CG-CG1 4.28Å; E462-I676 WeakPolarHBondContact O-CD1 3.31Å; E462-M681 HydrophobicContact CB-CG 3.77Å; E462-M681 HydrophobicContact CB-SD 3.71Å; E462-M681 VanDerWaalsContact OE2-SD 3.4Å
463V94.8Very high90.3Very high2 Ų213.8 Ų13.81%0.0128%0.082CC..Hα-helixtrans-66.4-39.9176.2177.60000112.2A459 H460 H461 V465 A466 G467 R626 I628 V635 M681A459-V463 PolarHBondContact O-N 2.8Å; A459-V463 VanDerWaalsContact O-N 3.15Å; H460-V463 PolarHBondContact O-N 2.9Å; H461-V463 VanDerWaalsContact C-N 3.33Å; H461-V463 PolarHBondContact O-N 2.89Å; V463-V465 VanDerWaalsContact C-N 3.34Å; V463-V465 PolarHBondContact O-N 2.78Å; V463-A466 PolarHBondContact O-N 3.17Å; V463-G467 PolarHBondContact O-N 3.3Å; V463-R626 HydrophobicContact CG1-CB 3.87Å; V463-R626 HydrophobicContact CG1-CG 3.97Å; V463-R626 HydrophobicContact CG2-CG 4.01Å; V463-I628 HydrophobicContact CB-CD1 4.2Å; V463-I628 HydrophobicContact CG2-CD1 3.49Å; V463-I628 VanDerWaalsContact CG2-CD1 3.49Å; V463-V635 HydrophobicContact CB-CB 4.39Å; V463-V635 HydrophobicContact CB-CG2 4.12Å; V463-V635 HydrophobicContact CG1-CB 3.78Å; V463-V635 HydrophobicContact CG1-CG1 3.96Å; V463-V635 HydrophobicContact CG1-CG2 4.07Å; V463-M681 HydrophobicContact CG2-CB 4.23Å; V463-M681 HydrophobicContact CG2-CG 4.46Å; V463-M681 HydrophobicContact CG2-SD 3.8Å
464M96.1Very high89.3Confident0 Ų013.4 Ų13.40%08%0.082CC..Hα-helixtrans-60.7-43.8175.6-68.3174.674.500111.5H460 H461 G467 L468 L495 M559 D561 I598 N600 V635H460-M464 VanDerWaalsContact O-CG 3.24Å; H460-M464 WeakPolarHBondContact O-CG 3.25Å; H460-M464 PolarHBondContact O-N 2.82Å; H461-M464 PolarHBondContact O-N 2.89Å; M464-G467 PolarHBondContact O-N 3.38Å; M464-L468 WeakPolarHBondContact O-CD1 3.25Å; M464-L495 HydrophobicContact CE-CD2 3.8Å; M464-L495 HydrophobicContact SD-CD2 4.1Å; M464-M559 HydrophobicContact CE-CB 3.88Å; M464-M559 HydrophobicContact CE-CG 4.24Å; M464-M559 HydrophobicContact CE-SD 3.99Å; M464-D561 HydrophobicContact CE-CB 4.23Å; M464-I598 HydrophobicContact CB-CG2 4.02Å; M464-I598 HydrophobicContact CE-CG2 4.08Å; M464-I598 HydrophobicContact CG-CG2 3.67Å; M464-I598 WeakPolarHBondContact O-CD1 3.49Å; M464-N600 HydrophobicContact SD-CB 4.37Å; M464-V635 HydrophobicContact CG-CG1 3.91Å; M464-V635 HydrophobicContact CG-CG2 4.28Å
465V95.5Very high88.7Confident0 Ų014.5 Ų14.50%09%0.088CC..Hα-helixtrans-63.9-47.2173.3172.20000110.6L456 H461 E462 V463 G467 L468 L495 F498 L499 F659 I676 I678L456-V465 HydrophobicContact CD1-CG2 3.94Å; H461-V465 WeakPolarHBondContact O-CG2 3.35Å; H461-V465 PolarHBondContact O-N 2.92Å; E462-V465 PolarHBondContact O-N 2.8Å; V463-V465 VanDerWaalsContact C-N 3.34Å; V463-V465 PolarHBondContact O-N 2.78Å; V465-G467 PolarHBondContact O-N 2.98Å; V465-L468 WeakPolarHBondContact O-CB 3.38Å; V465-L468 PolarHBondContact O-N 2.9Å; V465-L468 VanDerWaalsContact O-N 3.07Å; V465-L495 HydrophobicContact CG2-CD1 3.63Å; V465-F498 HydrophobicContact CG1-CD1 4.27Å; V465-F498 HydrophobicContact CG1-CE1 3.85Å; V465-F498 HydrophobicContact CG2-CD1 4.05Å; V465-F498 HydrophobicContact CG2-CE1 4.37Å; V465-L499 HydrophobicContact CG2-CD2 4.05Å; V465-F659 HydrophobicContact CG1-CE1 4.2Å; V465-F659 HydrophobicContact CG1-CZ 4.39Å; V465-F659 WeakPolarHBondContact O-CE1 3.4Å; V465-I676 HydrophobicContact CB-CD1 4.05Å; V465-I676 HydrophobicContact CG1-CD1 3.99Å; V465-I678 HydrophobicContact CG1-CD1 4.2Å
466A93.9Very high87.8Confident0 Ų018 Ų180%012%0.116CC..Hα-helixtrans-62-28-179.600000112.8E462 V463 L468 S469 I678 M681 I682E462-A466 VanDerWaalsContact O-CB 3.27Å; E462-A466 WeakPolarHBondContact O-CB 3.3Å; E462-A466 PolarHBondContact O-N 2.85Å; V463-A466 PolarHBondContact O-N 3.17Å; A466-L468 PolarHBondContact O-N 2.97Å; A466-S469 WeakPolarHBondContact O-CB 3.38Å; A466-S469 PolarHBondContact O-N 3.38Å; A466-S469 PolarHBondContact O-OG 2.99Å; A466-I678 HydrophobicContact CB-CD1 4.01Å; A466-I678 HydrophobicContact CB-CG2 4.07Å; A466-M681 HydrophobicContact CB-CB 3.53Å; A466-M681 HydrophobicContact CB-CG 4.42Å; A466-I682 HydrophobicContact CB-CG2 3.83Å
467G92.9Very high86.8Confident1 Ų125.4 Ų25.41%0.0115%0.15CC..Hα-helixtrans-55.4-29.5172.900000114.1V463 M464 V465 S469 M470 M596V463-G467 PolarHBondContact O-N 3.3Å; M464-G467 PolarHBondContact O-N 3.38Å; V465-G467 PolarHBondContact O-N 2.98Å; G467-S469 PolarHBondContact O-N 3.45Å; G467-M470 WeakPolarHBondContact O-CB 3.35Å; G467-M470 PolarHBondContact O-N 3.32Å; G467-M596 VanDerWaalsContact O-SD 3.35Å
468L92.6Very high86.2Confident0 Ų025.9 Ų25.90%015%0.151CC..G310 helixtrans-59.3-19.1175.8-83.861.8000112.8M464 V465 A466 M470 L471 L499 V503 V557 M559 I598 F659M464-L468 WeakPolarHBondContact O-CD1 3.25Å; V465-L468 WeakPolarHBondContact O-CB 3.38Å; V465-L468 PolarHBondContact O-N 2.9Å; V465-L468 VanDerWaalsContact O-N 3.07Å; A466-L468 PolarHBondContact O-N 2.97Å; L468-M470 PolarHBondContact O-N 2.88Å; L468-M470 VanDerWaalsContact O-N 3.13Å; L468-L471 WeakPolarHBondContact O-CB 3.11Å; L468-L471 PolarHBondContact O-N 2.87Å; L468-L499 HydrophobicContact CD2-CD2 4.01Å; L468-V503 HydrophobicContact CD2-CG1 4.2Å; L468-V503 HydrophobicContact CD2-CG2 4.17Å; L468-V557 HydrophobicContact CD1-CG2 4.27Å; L468-V557 HydrophobicContact CG-CG2 4.23Å; L468-M559 HydrophobicContact CD1-CE 3.48Å; L468-M559 VanDerWaalsContact CD1-CE 3.48Å; L468-I598 HydrophobicContact CD1-CD1 4.22Å; L468-F659 HydrophobicContact CB-CE1 3.96Å; L468-F659 HydrophobicContact CB-CZ 3.91Å; L468-F659 HydrophobicContact CD2-CZ 4.15Å
469S90Very high85.5Confident1 Ų130.2 Ų30.21%0.00717%0.166CC..G310 helixtrans-54.7-29.3170.6-520000112.1A466 G467 L471 G472 A655 I678A466-S469 WeakPolarHBondContact O-CB 3.38Å; A466-S469 PolarHBondContact O-N 3.38Å; A466-S469 PolarHBondContact O-OG 2.99Å; G467-S469 PolarHBondContact O-N 3.45Å; S469-L471 VanDerWaalsContact C-N 3.29Å; S469-L471 PolarHBondContact O-N 3.25Å; S469-G472 PolarHBondContact O-N 3.3Å; S469-G472 VanDerWaalsContact O-N 3.09Å; S469-A655 WeakPolarHBondContact O-CB 3.4Å; S469-I678 WeakPolarHBondContact OG-CG2 3.42Å
470M88.3Confident84.9Confident14 Ų1435.1 Ų35.17%0.06919%0.188CC..G310 helixtrans-70.7-20.8177.8-68.5-174.869.200113.9G467 L468 G472 M596 L624 L637 K643 L652G467-M470 WeakPolarHBondContact O-CB 3.35Å; G467-M470 PolarHBondContact O-N 3.32Å; L468-M470 PolarHBondContact O-N 2.88Å; L468-M470 VanDerWaalsContact O-N 3.13Å; M470-G472 PolarHBondContact O-N 3.09Å; M470-M596 HydrophobicContact CB-CE 3.57Å; M470-M596 HydrophobicContact CB-SD 3.92Å; M470-M596 HydrophobicContact CE-CE 4.36Å; M470-M596 HydrophobicContact CG-CE 3.97Å; M470-M596 HydrophobicContact SD-CE 3.5Å; M470-M596 VanDerWaalsContact SD-CE 3.5Å; M470-L624 HydrophobicContact CE-CD1 3.79Å; M470-L624 HydrophobicContact CE-CG 4.4Å; M470-L624 HydrophobicContact SD-CD1 3.72Å; M470-L637 HydrophobicContact SD-CB 3.79Å; M470-L637 HydrophobicContact SD-CD1 3.89Å; M470-L637 HydrophobicContact SD-CG 4.49Å; M470-K643 HydrophobicContact CE-CD 4.39Å; M470-K643 PolarHBondContact O-NZ 3.44Å; M470-L652 HydrophobicContact CB-CD1 4.36Å; M470-L652 HydrophobicContact CG-CD1 3.51Å
471L86.3Confident84.5Confident6 Ų637.1 Ų37.13%0.03120%0.201CC..G310 helixtrans-75.8-7.9171.3-65.1-177.9000112.4L468 S469 V473 N478 V483 D556 V557 R594 M596L468-L471 WeakPolarHBondContact O-CB 3.11Å; L468-L471 PolarHBondContact O-N 2.87Å; S469-L471 VanDerWaalsContact C-N 3.29Å; S469-L471 PolarHBondContact O-N 3.25Å; L471-V473 VanDerWaalsContact C-N 3.31Å; L471-V473 HydrophobicContact CB-CG2 3.98Å; L471-V473 HydrophobicContact CD1-CG2 4.42Å; L471-N478 PolarHBondContact O-ND2 3.43Å; L471-V483 HydrophobicContact CD1-CG1 4.17Å; L471-D556 HydrophobicContact CD1-CB 3.96Å; L471-V557 HydrophobicContact CD1-CG2 3.42Å; L471-V557 VanDerWaalsContact CD1-CG2 3.42Å; L471-V557 HydrophobicContact CG-CG2 4.36Å; L471-R594 WeakPolarHBondContact CD2-O 3.38Å; L471-R594 PolarHBondContact O-NH2 2.58Å; L471-M596 HydrophobicContact CD2-CB 4.5Å; L471-M596 HydrophobicContact CD2-CG 4.02Å; L471-M596 HydrophobicContact CD2-SD 4.12Å; L471-M596 HydrophobicContact CG-CG 4.35Å; L471-M596 HydrophobicContact CG-SD 3.94Å
472G80.1Confident84.2Confident12 Ų1239.7 Ų39.712%0.12422%0.221CC..THydrogen-bonded Turntrans69.727.7-173.600000112.9S469 M470 G474 T475 N478S469-G472 PolarHBondContact O-N 3.3Å; S469-G472 VanDerWaalsContact O-N 3.09Å; M470-G472 PolarHBondContact O-N 3.09Å; G472-G474 PolarHBondContact O-N 2.91Å; G472-T475 VanDerWaalsContact O-CB 3.3Å; G472-T475 WeakPolarHBondContact O-CB 3.45Å; G472-T475 VanDerWaalsContact O-CG2 3.27Å; G472-T475 WeakPolarHBondContact O-CG2 3.3Å; G472-T475 PolarHBondContact O-N 3.37Å; G472-T475 PolarHBondContact O-OG1 3.11Å; G472-N478 WeakPolarHBondContact O-CB 3.24Å
473V74.9Confident84.1Confident4 Ų438.3 Ų38.32%0.02421%0.214CC..THydrogen-bonded Turntrans-55.3128.9174.5179.20000109.4L471 T475 V483 F659 M662L471-V473 VanDerWaalsContact C-N 3.31Å; L471-V473 HydrophobicContact CB-CG2 3.98Å; L471-V473 HydrophobicContact CD1-CG2 4.42Å; V473-T475 VanDerWaalsContact C-N 3.29Å; V473-T475 PolarHBondContact O-N 2.96Å; V473-V483 HydrophobicContact CG2-CG2 4.01Å; V473-F659 HydrophobicContact CB-CD2 3.91Å; V473-F659 HydrophobicContact CB-CE2 4.25Å; V473-F659 HydrophobicContact CG1-CD2 3.62Å; V473-F659 HydrophobicContact CG1-CE2 3.79Å; V473-M662 HydrophobicContact CG1-CE 3.88Å
474G67.9Low84.2Confident14 Ų1439.3 Ų39.314%0.14422%0.221CC..THydrogen-bonded Turntrans80.6-0.9-177.600000115.5G472G472-G474 PolarHBondContact O-N 2.91Å
475T77Confident84.3Confident22 Ų2239.3 Ų39.314%0.13522%0.221CC..SBendtrans-70155.2166.463.60000110.3G472 V473 Q477 N478 K479G472-T475 VanDerWaalsContact O-CB 3.3Å; G472-T475 WeakPolarHBondContact O-CB 3.45Å; G472-T475 VanDerWaalsContact O-CG2 3.27Å; G472-T475 WeakPolarHBondContact O-CG2 3.3Å; G472-T475 PolarHBondContact O-N 3.37Å; G472-T475 PolarHBondContact O-OG1 3.11Å; V473-T475 VanDerWaalsContact C-N 3.29Å; V473-T475 PolarHBondContact O-N 2.96Å; T475-Q477 PolarHBondContact O-N 3.45Å; T475-N478 CarbonylContact O-C 3.52Å; T475-N478 PolarHBondContact O-N 3.02Å; T475-K479 PolarHBondContact O-N 2.88Å
476P72Confident84.4Confident124 Ų12439.3 Ų39.381%0.80522%0.221SC*.THydrogen-bonded Turntrans-54.7-28.3-179.4-26.634.6000114.4
477Q72.7Confident84.6Confident164 Ų16439.4 Ų39.477%0.76622%0.222SC*.THydrogen-bonded Turntrans-78.4-27.4179.7-67.7135-6.900113T475T475-Q477 PolarHBondContact O-N 3.45Å
478N77.4Confident84.9Confident40 Ų4039.5 Ų39.521%0.21422%0.222CC..SBendtrans-127.721.9-169.1-66.3-27.8000112.7L471 G472 T475 V481 R594L471-N478 PolarHBondContact O-ND2 3.43Å; G472-N478 WeakPolarHBondContact O-CB 3.24Å; T475-N478 CarbonylContact O-C 3.52Å; T475-N478 PolarHBondContact O-N 3.02Å; N478-V481 HydrophobicContact CB-CG2 4.46Å; N478-R594 PolarHBondContact ND2-NH1 3.06Å; N478-R594 PolarHBondContact OD1-NH1 3.41Å; N478-R594 VanDerWaalsContact OD1-NH1 3.07Å
479K71.8Confident85Confident123 Ų12340 Ų4054%0.53523%0.227SC..THydrogen-bonded Turntrans-68.4-37.9-173.6-170.5-178.2174.6-170.60113.1T475 M662T475-K479 PolarHBondContact O-N 2.88Å; K479-M662 HydrophobicContact CG-SD 4.3Å
480D77.4Confident85.3Confident133 Ų13340.3 Ų40.371%0.71123%0.228SC*.THydrogen-bonded Turntrans-113.221.5-176.3-51.1-46.5000111.7
481V84.1Confident85.5Confident60 Ų6040.9 Ų40.936%0.36424%0.238SC..  trans-92.9119.3178.5-179.80000108N478N478-V481 HydrophobicContact CB-CG2 4.46Å
482P87.9Confident85.9Confident82 Ų8240.7 Ų40.753%0.53224%0.238SC..  trans-55.2151.2176.3-24.834000111.7D505P482-D505 HydrophobicContact CB-CB 4.44Å
483V92.4Very high86.6Confident2 Ų240.2 Ų40.21%0.01223%0.233CC..EExtended strand (participates in β ladder)trans-112.9113.1179.1-1770000108.9L471 V473 V485 D505 A506 A507 D556 V557L471-V483 HydrophobicContact CD1-CG1 4.17Å; V473-V483 HydrophobicContact CG2-CG2 4.01Å; V483-V485 HydrophobicContact CG1-CG2 3.94Å; V483-D505 PolarHBondContact N-O 3.16Å; V483-A506 WeakPolarHBondContact O-CA 3.39Å; V483-A507 PolarHBondContact O-N 3.29Å; V483-D556 HydrophobicContact CG1-CB 4.37Å; V483-V557 HydrophobicContact CG1-CG2 4.44Å
484S96.3Very high87.5Confident23 Ų2341.4 Ų41.416%0.16125%0.246CC..EExtended strand (participates in β ladder)trans-90.9124.1175-177.30000110.8F555 D556 V557S484-F555 VanDerWaalsContact OG-CD1 3.26Å; S484-F555 WeakPolarHBondContact OG-CD1 3.25Å; S484-D556 PolarHBondContact N-OD2 2.79Å; S484-D556 PolarHBondContact O-N 2.99Å; S484-V557 PolarHBondContact O-N 2.72Å
485V98.3Very high88.9Confident0 Ų040.9 Ų40.90%024%0.24CC..EExtended strand (participates in β ladder)trans-124.2125.7-177.4-175.10000110.7V483 L499 A507 V508 E509 V557 M559V483-V485 HydrophobicContact CG1-CG2 3.94Å; V485-L499 HydrophobicContact CG1-CD1 4.17Å; V485-A507 PolarHBondContact N-O 3.09Å; V485-V508 HydrophobicContact CB-CG1 4.49Å; V485-V508 HydrophobicContact CB-CG2 4.38Å; V485-V508 WeakPolarHBondContact O-CA 3.41Å; V485-E509 PolarHBondContact O-N 2.97Å; V485-V557 CarbonylContact C-O 3.55Å; V485-V557 VanDerWaalsContact CA-O 3.31Å; V485-V557 WeakPolarHBondContact CA-O 3.36Å; V485-V557 HydrophobicContact CG1-CB 4.23Å; V485-V557 HydrophobicContact CG2-CB 4.18Å; V485-V557 HydrophobicContact CG2-CG2 4.35Å; V485-M559 HydrophobicContact CG1-CE 4.34Å; V485-M559 HydrophobicContact CG1-CG 4.35Å; V485-M559 HydrophobicContact CG1-SD 4.39Å
486L98.4Very high89.9Confident1 Ų139.9 Ų39.91%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-101.2118.2163178.964.7000108.9E509 V511 L547 F555 V557 I558 M559L486-E509 CarbonylContact C-O 3.59Å; L486-E509 WeakPolarHBondContact CA-O 3.19Å; L486-E509 HydrophobicContact CD1-CB 4.14Å; L486-V511 HydrophobicContact CD1-CG2 3.9Å; L486-L547 HydrophobicContact CD2-CD1 4.08Å; L486-F555 HydrophobicContact CB-CD1 3.65Å; L486-F555 HydrophobicContact CB-CD2 4.11Å; L486-F555 HydrophobicContact CB-CE1 3.73Å; L486-F555 HydrophobicContact CB-CE2 4.19Å; L486-F555 HydrophobicContact CB-CG 3.84Å; L486-F555 HydrophobicContact CB-CZ 3.98Å; L486-F555 HydrophobicContact CD1-CZ 4.32Å; L486-F555 HydrophobicContact CD2-CD2 4.33Å; L486-F555 HydrophobicContact CD2-CE2 4.03Å; L486-F555 HydrophobicContact CD2-CZ 4.28Å; L486-F555 HydrophobicContact CG-CZ 4.43Å; L486-V557 PolarHBondContact N-O 2.93Å; L486-I558 HydrophobicContact CB-CG1 4.18Å; L486-I558 HydrophobicContact CD2-CG1 4.43Å; L486-I558 HydrophobicContact CD2-CG2 4.31Å; L486-I558 CarbonylContact O-C 3.58Å; L486-I558 WeakPolarHBondContact O-CA 3.38Å; L486-M559 PolarHBondContact O-N 2.86Å
487L98.5Very high91Very high1 Ų134.5 Ų34.51%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-110.1125.5174.3175.666000109.6G489 L495 P496 E509 V510 V511 M559 D561L487-G489 WeakPolarHBondContact CG-O 3.4Å; L487-L495 HydrophobicContact CD1-CD2 3.98Å; L487-L495 HydrophobicContact CD2-CD2 4.28Å; L487-L495 HydrophobicContact CD2-CG 4.45Å; L487-P496 HydrophobicContact CD2-CB 3.78Å; L487-P496 HydrophobicContact CD2-CG 3.71Å; L487-E509 PolarHBondContact N-O 3.32Å; L487-V510 HydrophobicContact CB-CG2 4.39Å; L487-V510 HydrophobicContact CD2-CG1 4.41Å; L487-V510 HydrophobicContact CD2-CG2 4.28Å; L487-V510 CarbonylContact O-C 3.01Å; L487-V510 VanDerWaalsContact O-CA 3.28Å; L487-V510 WeakPolarHBondContact O-CA 3.29Å; L487-V511 PolarHBondContact O-N 2.92Å; L487-M559 HydrophobicContact CD1-CB 3.51Å; L487-M559 HydrophobicContact CD1-SD 4.4Å; L487-D561 HydrophobicContact CD1-CB 4.28Å
488V98.1Very high92.1Very high4 Ų426.8 Ų26.82%0.02416%0.162CC..EExtended strand (participates in β ladder)trans-103.3119.7171-169.40000108.7V511 I544 M559 F560 D561 V562 F578V488-V511 HydrophobicContact CG1-CB 4.45Å; V488-I544 HydrophobicContact CG2-CD1 4.46Å; V488-M559 PolarHBondContact N-O 3.42Å; V488-F560 HydrophobicContact CB-CD1 3.83Å; V488-F560 HydrophobicContact CB-CE1 4.2Å; V488-F560 HydrophobicContact CG2-CD1 3.73Å; V488-F560 HydrophobicContact CG2-CE1 3.63Å; V488-D561 CarbonylContact O-C 3.53Å; V488-D561 PolarHBondContact O-N 2.78Å; V488-V562 HydrophobicContact CB-CG2 4.01Å; V488-V562 HydrophobicContact CG1-CG2 3.6Å; V488-V562 VanDerWaalsContact O-CG2 3.22Å; V488-V562 WeakPolarHBondContact O-CG2 3.09Å; V488-F578 HydrophobicContact CG1-CE1 3.95Å; V488-F578 HydrophobicContact CG1-CZ 4.39Å
489G95.8Very high92.9Very high9 Ų924.9 Ų24.99%0.09315%0.151CC..  trans100116.6-171.400000111.8L487 V511L487-G489 WeakPolarHBondContact CG-O 3.4Å; G489-V511 PolarHBondContact N-O 3.06Å
490L95.8Very high93.9Very high8 Ų821.8 Ų21.84%0.04214%0.136CC..  trans-89.6-44.6178.3177.267.5000112.4G492 G493 P496 V510 E512 L518 A521 F527L490-G492 PolarHBondContact O-N 3.27Å; L490-G493 WeakPolarHBondContact O-CA 3.05Å; L490-G493 PolarHBondContact O-N 2.92Å; L490-P496 HydrophobicContact CD1-CG 3.92Å; L490-V510 HydrophobicContact CB-CG1 3.89Å; L490-V510 HydrophobicContact CD1-CG1 3.93Å; L490-E512 HydrophobicContact CB-CB 3.88Å; L490-E512 HydrophobicContact CB-CG 3.95Å; L490-E512 VanDerWaalsContact CB-OE2 3.22Å; L490-E512 WeakPolarHBondContact CB-OE2 3.44Å; L490-E512 HydrophobicContact CD2-CB 4.4Å; L490-E512 HydrophobicContact CD2-CG 4.24Å; L490-E512 PolarHBondContact N-OE2 3.14Å; L490-L518 HydrophobicContact CD2-CB 4.07Å; L490-L518 HydrophobicContact CD2-CD1 3.67Å; L490-A521 HydrophobicContact CD2-CB 4Å; L490-A521 HydrophobicContact CG-CB 4.47Å; L490-F527 HydrophobicContact CD1-CD1 4.39Å; L490-F527 HydrophobicContact CD1-CD2 4.09Å; L490-F527 HydrophobicContact CD1-CE1 3.95Å; L490-F527 HydrophobicContact CD1-CE2 3.58Å; L490-F527 HydrophobicContact CD1-CG 4.46Å; L490-F527 HydrophobicContact CD1-CZ 3.52Å; L490-F527 HydrophobicContact CD2-CE1 4.44Å
491G93.2Very high94.6Very high26 Ų2616.6 Ų16.627%0.26811%0.109SC..THydrogen-bonded Turntrans53.9-134.4-165.500000111.4G493 V517G491-G493 PolarHBondContact O-N 3.19Å; G491-V517 WeakPolarHBondContact O-CG1 3.36Å
492G93.8Very high94.9Very high3 Ų314.6 Ų14.63%0.03110%0.095CC..THydrogen-bonded Turntrans-75.4-1.9173.600000114.1S420 L490 F525S420-G492 PolarHBondContact OG-N 2.9Å; L490-G492 PolarHBondContact O-N 3.27Å; G492-F525 WeakPolarHBondContact O-CB 3.3Å
493G95.4Very high95Very high1 Ų110.8 Ų10.81%0.017%0.071CC..SBendtrans80.87.8178.100000115.6L490 G491 P496 Q497L490-G493 WeakPolarHBondContact O-CA 3.05Å; L490-G493 PolarHBondContact O-N 2.92Å; G491-G493 PolarHBondContact O-N 3.19Å; G493-P496 WeakPolarHBondContact O-CD 3.35Å; G493-P496 WeakPolarHBondContact O-CG 3.23Å; G493-Q497 WeakPolarHBondContact O-CB 3.42Å; G493-Q497 PolarHBondContact O-N 3.3Å
494G94.6Very high94.7Very high30 Ų3012.9 Ų12.931%0.3098%0.084SC..Hα-helixtrans-59.8-52.2-178.600000113.6Q497 F498G494-Q497 PolarHBondContact O-N 3.34Å; G494-F498 WeakPolarHBondContact O-CB 3.32Å; G494-F498 PolarHBondContact O-N 3.16Å
495L96.4Very high94.2Very high3 Ų316.5 Ų16.52%0.01610%0.101CC..Hα-helixtrans-58.1-55.4177.9175.462.6000113.2H461 M464 V465 L487 Q497 F498 L499 M559H461-L495 HydrophobicContact CB-CD1 4.37Å; M464-L495 HydrophobicContact CE-CD2 3.8Å; M464-L495 HydrophobicContact SD-CD2 4.1Å; V465-L495 HydrophobicContact CG2-CD1 3.63Å; L487-L495 HydrophobicContact CD1-CD2 3.98Å; L487-L495 HydrophobicContact CD2-CD2 4.28Å; L487-L495 HydrophobicContact CD2-CG 4.45Å; L495-Q497 VanDerWaalsContact C-N 3.33Å; L495-Q497 PolarHBondContact O-N 2.68Å; L495-F498 PolarHBondContact O-N 3.39Å; L495-L499 HydrophobicContact CD1-CD1 4.37Å; L495-L499 HydrophobicContact CD1-CG 4.38Å; L495-L499 HydrophobicContact CG-CD1 4.46Å; L495-L499 WeakPolarHBondContact O-CG 3.18Å; L495-L499 PolarHBondContact O-N 2.96Å; L495-M559 HydrophobicContact CD2-SD 4.09Å
496P97.1Very high93.9Very high1 Ų116.5 Ų16.51%0.00610%0.102CC..Hα-helixtrans-66.2-33.9-179.622.7-31.1000112.9L487 L490 G493 L499 R500 V508 V510 F527 L533L487-P496 HydrophobicContact CD2-CB 3.78Å; L487-P496 HydrophobicContact CD2-CG 3.71Å; L490-P496 HydrophobicContact CD1-CG 3.92Å; G493-P496 WeakPolarHBondContact O-CD 3.35Å; G493-P496 WeakPolarHBondContact O-CG 3.23Å; P496-L499 PolarHBondContact O-N 2.95Å; P496-R500 WeakPolarHBondContact O-CB 3.43Å; P496-R500 PolarHBondContact O-N 3.35Å; P496-V508 HydrophobicContact CB-CG1 3.95Å; P496-V510 HydrophobicContact CB-CG2 3.62Å; P496-V510 HydrophobicContact CG-CG2 4.05Å; P496-F527 HydrophobicContact CB-CE2 4.27Å; P496-F527 HydrophobicContact CG-CE2 3.89Å; P496-L533 HydrophobicContact CB-CD1 3.82Å
497Q95.8Very high93.9Very high11 Ų1118.7 Ų18.75%0.05112%0.12CC..Hα-helixtrans-64.1-42.2173.7-171.167.254.700111.4G493 G494 L495 R500 D501 F527G493-Q497 WeakPolarHBondContact O-CB 3.42Å; G493-Q497 PolarHBondContact O-N 3.3Å; G494-Q497 PolarHBondContact O-N 3.34Å; L495-Q497 VanDerWaalsContact C-N 3.33Å; L495-Q497 PolarHBondContact O-N 2.68Å; Q497-R500 PolarHBondContact O-N 3.47Å; Q497-D501 PolarHBondContact NE2-OD1 2.61Å; Q497-D501 VanDerWaalsContact O-CB 3.28Å; Q497-D501 WeakPolarHBondContact O-CB 3.49Å; Q497-D501 PolarHBondContact O-N 3.12Å; Q497-F527 HydrophobicContact CB-CD2 4.42Å
498F95.2Very high93.8Very high1 Ų118.7 Ų18.70%0.00412%0.12CC..Hα-helixtrans-62-45.8177-173.3-77.9000111.3S453 L456 V465 G494 L495 R500 D501 F502 P674 I676S453-F498 WeakPolarHBondContact O-CD2 3.21Å; L456-F498 HydrophobicContact CD1-CD1 4.27Å; L456-F498 HydrophobicContact CD1-CD2 4.01Å; L456-F498 HydrophobicContact CD1-CE2 4.23Å; L456-F498 HydrophobicContact CD1-CG 4.03Å; L456-F498 HydrophobicContact CD1-CZ 4.48Å; L456-F498 HydrophobicContact CD2-CB 3.87Å; L456-F498 HydrophobicContact CD2-CD2 4.06Å; L456-F498 HydrophobicContact CD2-CG 4.07Å; L456-F498 HydrophobicContact CG-CB 4.45Å; L456-F498 HydrophobicContact CG-CD2 3.76Å; L456-F498 HydrophobicContact CG-CE2 4.2Å; L456-F498 HydrophobicContact CG-CG 4.1Å; V465-F498 HydrophobicContact CG1-CD1 4.27Å; V465-F498 HydrophobicContact CG1-CE1 3.85Å; V465-F498 HydrophobicContact CG2-CD1 4.05Å; V465-F498 HydrophobicContact CG2-CE1 4.37Å; G494-F498 WeakPolarHBondContact O-CB 3.32Å; G494-F498 PolarHBondContact O-N 3.16Å; L495-F498 PolarHBondContact O-N 3.39Å; F498-R500 PolarHBondContact O-N 3.06Å; F498-D501 PolarHBondContact O-N 2.91Å; F498-F502 HydrophobicContact CB-CD2 4.47Å; F498-F502 HydrophobicContact CD1-CB 4.42Å; F498-F502 HydrophobicContact CD1-CD2 4.09Å; F498-F502 AromaticContact CD2-CD2 3.6Å; F498-F502 HydrophobicContact CD2-CD2 3.6Å; F498-F502 AromaticContact CD2-CE2 3.89Å; F498-F502 HydrophobicContact CD2-CE2 3.89Å; F498-F502 HydrophobicContact CE1-CB 4.06Å; F498-F502 HydrophobicContact CE1-CD2 4.15Å; F498-F502 HydrophobicContact CE1-CG 4.44Å; F498-F502 AromaticContact CE2-CD2 3.7Å; F498-F502 HydrophobicContact CE2-CD2 3.7Å; F498-F502 HydrophobicContact CE2-CE2 4.08Å; F498-F502 HydrophobicContact CE2-CG 4.4Å; F498-F502 AromaticContact CG-CD2 3.81Å; F498-F502 HydrophobicContact CG-CD2 3.81Å; F498-F502 HydrophobicContact CG-CE2 4.43Å; F498-F502 HydrophobicContact CZ-CB 4.3Å; F498-F502 AromaticContact CZ-CD2 3.97Å; F498-F502 HydrophobicContact CZ-CD2 3.97Å; F498-F502 HydrophobicContact CZ-CG 4.29Å; F498-F502 WeakPolarHBondContact O-CD2 3.24Å; F498-F502 PolarHBondContact O-N 3.12Å; F498-P674 HydrophobicContact CE2-CB 4Å; F498-P674 HydrophobicContact CZ-CB 3.62Å; F498-I676 HydrophobicContact CZ-CB 4.42Å; F498-I676 HydrophobicContact CZ-CG2 3.83Å
499L94.7Very high93.8Very high0 Ų020.2 Ų20.20%013%0.127CC..Hα-helixtrans-57.9-48.7176.7-68.1173.9000111.1V465 L468 V485 L495 P496 D501 V503 V508 M559V465-L499 HydrophobicContact CG2-CD2 4.05Å; L468-L499 HydrophobicContact CD2-CD2 4.01Å; V485-L499 HydrophobicContact CG1-CD1 4.17Å; L495-L499 HydrophobicContact CD1-CD1 4.37Å; L495-L499 HydrophobicContact CD1-CG 4.38Å; L495-L499 HydrophobicContact CG-CD1 4.46Å; L495-L499 WeakPolarHBondContact O-CG 3.18Å; L495-L499 PolarHBondContact O-N 2.96Å; P496-L499 PolarHBondContact O-N 2.95Å; L499-D501 PolarHBondContact O-N 2.86Å; L499-V503 HydrophobicContact CD2-CG2 3.79Å; L499-V503 WeakPolarHBondContact O-CA 3.29Å; L499-V503 VanDerWaalsContact O-CB 3.24Å; L499-V503 WeakPolarHBondContact O-CB 3.42Å; L499-V503 PolarHBondContact O-N 3.37Å; L499-V508 HydrophobicContact CB-CG2 3.91Å; L499-M559 HydrophobicContact CD1-CE 3.94Å; L499-M559 HydrophobicContact CD1-SD 4.12Å; L499-M559 HydrophobicContact CD2-CE 4.43Å
500R93.6Very high94Very high58 Ų5819.8 Ų19.822%0.21912%0.122CC..Hα-helixtrans-63.8-38.7178.3174.1-88.6-169-159.20113.3P496 Q497 F498 D530 R532 L533P496-R500 WeakPolarHBondContact O-CB 3.43Å; P496-R500 PolarHBondContact O-N 3.35Å; Q497-R500 PolarHBondContact O-N 3.47Å; F498-R500 PolarHBondContact O-N 3.06Å; R500-D530 IonicContact CZ-OD2 2.91Å; R500-D530 IonicContact NE-OD1 2.72Å; R500-D530 IonicContact NE-OD2 3.22Å; R500-D530 PolarHBondContact NE-OD2 2.78Å; R500-D530 IonicContact NH2-OD2 3.85Å; R500-D530 PolarHBondContact NH2-OD2 2.68Å; R500-R532 PolarHBondContact O-NH2 2.77Å; R500-L533 HydrophobicContact CB-CB 4.05Å; R500-L533 HydrophobicContact CB-CD2 4.01Å; R500-L533 HydrophobicContact CG-CB 3.81Å; R500-L533 HydrophobicContact CG-CD2 4.21Å
501D91.1Very high94.1Very high24 Ų2419.6 Ų19.613%0.12812%0.122CC..Hα-helixtrans-77.7-37.1-175.9-82.611.3000112.8S453 Q497 F498 L499 R672S453-D501 WeakPolarHBondContact CB-OD2 3.31Å; S453-D501 PolarHBondContact OG-OD2 2.9Å; Q497-D501 PolarHBondContact NE2-OD1 2.61Å; Q497-D501 VanDerWaalsContact O-CB 3.28Å; Q497-D501 WeakPolarHBondContact O-CB 3.49Å; Q497-D501 PolarHBondContact O-N 3.12Å; F498-D501 PolarHBondContact O-N 2.91Å; L499-D501 PolarHBondContact O-N 2.86Å; D501-R672 IonicContact OD2-NH1 3.61Å; D501-R672 PolarHBondContact OD2-NH1 2.88Å
502F90.8Very high94.3Very high19 Ų1919.2 Ų19.28%0.08311%0.113CC..Hα-helixtrans-119.3-21.8-167.9-58.9-73.7000115.2S453 F498 P504 L663 R672 P674S453-F502 VanDerWaalsContact O-CE2 3.3Å; S453-F502 WeakPolarHBondContact O-CE2 3.03Å; F498-F502 HydrophobicContact CB-CD2 4.47Å; F498-F502 HydrophobicContact CD1-CB 4.42Å; F498-F502 HydrophobicContact CD1-CD2 4.09Å; F498-F502 AromaticContact CD2-CD2 3.6Å; F498-F502 HydrophobicContact CD2-CD2 3.6Å; F498-F502 AromaticContact CD2-CE2 3.89Å; F498-F502 HydrophobicContact CD2-CE2 3.89Å; F498-F502 HydrophobicContact CE1-CB 4.06Å; F498-F502 HydrophobicContact CE1-CD2 4.15Å; F498-F502 HydrophobicContact CE1-CG 4.44Å; F498-F502 AromaticContact CE2-CD2 3.7Å; F498-F502 HydrophobicContact CE2-CD2 3.7Å; F498-F502 HydrophobicContact CE2-CE2 4.08Å; F498-F502 HydrophobicContact CE2-CG 4.4Å; F498-F502 AromaticContact CG-CD2 3.81Å; F498-F502 HydrophobicContact CG-CD2 3.81Å; F498-F502 HydrophobicContact CG-CE2 4.43Å; F498-F502 HydrophobicContact CZ-CB 4.3Å; F498-F502 AromaticContact CZ-CD2 3.97Å; F498-F502 HydrophobicContact CZ-CD2 3.97Å; F498-F502 HydrophobicContact CZ-CG 4.29Å; F498-F502 WeakPolarHBondContact O-CD2 3.24Å; F498-F502 PolarHBondContact O-N 3.12Å; F502-P504 WeakPolarHBondContact O-CD 3.31Å; F502-L663 HydrophobicContact CB-CD2 4.1Å; F502-L663 VanDerWaalsContact O-CD2 3.24Å; F502-L663 WeakPolarHBondContact O-CD2 3.42Å; F502-R672 HydrophobicContact CE1-CB 4.26Å; F502-R672 HydrophobicContact CZ-CB 4.3Å; F502-P674 HydrophobicContact CB-CB 4.3Å; F502-P674 HydrophobicContact CD1-CB 3.79Å; F502-P674 HydrophobicContact CD1-CG 3.87Å; F502-P674 HydrophobicContact CD2-CB 4.43Å; F502-P674 HydrophobicContact CE1-CB 4.23Å; F502-P674 HydrophobicContact CE1-CG 4.4Å; F502-P674 HydrophobicContact CG-CB 3.9Å; F502-P674 HydrophobicContact CG-CG 4.35Å
503V89.9Confident94.4Very high2 Ų223.3 Ų23.31%0.01213%0.133CC..SBendtrans-86.8115.9175.3-1760000108.6L468 L499 D505 A506 F659 L663L468-V503 HydrophobicContact CD2-CG1 4.2Å; L468-V503 HydrophobicContact CD2-CG2 4.17Å; L499-V503 HydrophobicContact CD2-CG2 3.79Å; L499-V503 WeakPolarHBondContact O-CA 3.29Å; L499-V503 VanDerWaalsContact O-CB 3.24Å; L499-V503 WeakPolarHBondContact O-CB 3.42Å; L499-V503 PolarHBondContact O-N 3.37Å; V503-D505 PolarHBondContact O-N 2.8Å; V503-A506 HydrophobicContact CB-CB 3.86Å; V503-A506 HydrophobicContact CG1-CB 3.94Å; V503-A506 WeakPolarHBondContact O-CB 3.35Å; V503-A506 PolarHBondContact O-N 2.95Å; V503-F659 HydrophobicContact CG1-CE2 4.38Å; V503-F659 HydrophobicContact CG2-CE2 4.38Å; V503-F659 HydrophobicContact CG2-CZ 4.09Å; V503-L663 HydrophobicContact CG2-CD2 4.05Å
504P85.3Confident94.4Very high46 Ų4623.4 Ų23.430%0.29913%0.134SC..THydrogen-bonded Turntrans-59.6135.9-177.5-27.238.8000111.9F502 A506 M662F502-P504 WeakPolarHBondContact O-CD 3.31Å; P504-A506 PolarHBondContact O-N 3.36Å; P504-M662 HydrophobicContact CB-CE 3.84Å; P504-M662 HydrophobicContact CG-CE 3.5Å; P504-M662 HydrophobicContact CG-SD 4.32Å
505D87.1Confident94.5Very high98 Ų9825 Ų2552%0.52414%0.138SC..THydrogen-bonded Turntrans50.827.5178.6-57.1-42.2000114.8P482 V483 V503P482-D505 HydrophobicContact CB-CB 4.44Å; V483-D505 PolarHBondContact N-O 3.16Å; V503-D505 PolarHBondContact O-N 2.8Å
506A92.6Very high94.5Very high1 Ų126.6 Ų26.61%0.00815%0.148CC..EExtended strand (participates in β ladder)trans-72.1131.6171.400000110.8V483 V503 P504 V508 R532V483-A506 WeakPolarHBondContact O-CA 3.39Å; V503-A506 HydrophobicContact CB-CB 3.86Å; V503-A506 HydrophobicContact CG1-CB 3.94Å; V503-A506 WeakPolarHBondContact O-CB 3.35Å; V503-A506 PolarHBondContact O-N 2.95Å; P504-A506 PolarHBondContact O-N 3.36Å; A506-V508 HydrophobicContact CB-CG2 4.43Å; A506-R532 PolarHBondContact O-NH1 3.15Å
507A96.6Very high94.4Very high46 Ų4627 Ų2738%0.3815%0.151SC..EExtended strand (participates in β ladder)trans-111.3118.4166.700000108V483 V485 R532V483-A507 PolarHBondContact O-N 3.29Å; V485-A507 PolarHBondContact N-O 3.09Å; A507-R532 CarbonylContact C-O 3.49Å; A507-R532 WeakPolarHBondContact CA-O 3.3Å
508V98.1Very high94.5Very high1 Ų127 Ų271%0.00615%0.151CC..EExtended strand (participates in β ladder)trans-115.7118.9-172.5-172.90000109.3V485 P496 L499 A506 V510 R532 L533 T534V485-V508 HydrophobicContact CB-CG1 4.49Å; V485-V508 HydrophobicContact CB-CG2 4.38Å; V485-V508 WeakPolarHBondContact O-CA 3.41Å; P496-V508 HydrophobicContact CB-CG1 3.95Å; L499-V508 HydrophobicContact CB-CG2 3.91Å; A506-V508 HydrophobicContact CB-CG2 4.43Å; V508-V510 HydrophobicContact CG1-CG2 4.02Å; V508-R532 PolarHBondContact N-O 2.72Å; V508-L533 HydrophobicContact CB-CD1 3.82Å; V508-L533 HydrophobicContact CG1-CD1 3.85Å; V508-L533 CarbonylContact O-C 3.57Å; V508-L533 WeakPolarHBondContact O-CA 3.49Å; V508-T534 PolarHBondContact O-N 3.47Å
509E98.1Very high94.6Very high37 Ų3731.8 Ų31.817%0.17317%0.173CC..EExtended strand (participates in β ladder)trans-102.3119.9168.7-68.3-175.3-13900108.7V485 L486 L487 R543 H553V485-E509 PolarHBondContact O-N 2.97Å; L486-E509 CarbonylContact C-O 3.59Å; L486-E509 WeakPolarHBondContact CA-O 3.19Å; L486-E509 HydrophobicContact CD1-CB 4.14Å; L487-E509 PolarHBondContact N-O 3.32Å; E509-R543 IonicContact OE2-NH2 3.18Å; E509-H553 IonicContact OE1-CD2 2.94Å; E509-H553 IonicContact OE1-CE1 3.59Å; E509-H553 IonicContact OE1-NE2 2.63Å; E509-H553 PolarHBondContact OE1-NE2 3.03Å
510V98.6Very high94.6Very high0 Ų031.9 Ų31.90%017%0.174CC..EExtended strand (participates in β ladder)trans-104.8138.2176.4-1720000110.1L487 L490 P496 V508 L533 T534 V535 T536L487-V510 HydrophobicContact CB-CG2 4.39Å; L487-V510 HydrophobicContact CD2-CG1 4.41Å; L487-V510 HydrophobicContact CD2-CG2 4.28Å; L487-V510 CarbonylContact O-C 3.01Å; L487-V510 VanDerWaalsContact O-CA 3.28Å; L487-V510 WeakPolarHBondContact O-CA 3.29Å; L490-V510 HydrophobicContact CB-CG1 3.89Å; L490-V510 HydrophobicContact CD1-CG1 3.93Å; P496-V510 HydrophobicContact CB-CG2 3.62Å; P496-V510 HydrophobicContact CG-CG2 4.05Å; V508-V510 HydrophobicContact CG1-CG2 4.02Å; V510-L533 HydrophobicContact CG2-CD1 3.87Å; V510-T534 PolarHBondContact N-O 2.92Å; V510-V535 HydrophobicContact CB-CG1 4.47Å; V510-V535 HydrophobicContact CB-CG2 4.25Å; V510-V535 CarbonylContact O-C 3.56Å; V510-V535 WeakPolarHBondContact O-CA 3.47Å; V510-T536 PolarHBondContact O-N 2.96Å
511V98.3Very high94.8Very high4 Ų429.1 Ų29.12%0.02416%0.164CC..EExtended strand (participates in β ladder)trans-109.9120.1168.6-169.30000108.8L486 L487 V488 G489 T536 G538 R543L486-V511 HydrophobicContact CD1-CG2 3.9Å; L487-V511 PolarHBondContact O-N 2.92Å; V488-V511 HydrophobicContact CG1-CB 4.45Å; G489-V511 PolarHBondContact N-O 3.06Å; V511-T536 WeakPolarHBondContact CA-O 3.38Å; V511-G538 WeakPolarHBondContact CG1-O 3.38Å; V511-R543 HydrophobicContact CG1-CB 4.18Å; V511-R543 HydrophobicContact CG1-CG 4.48Å; V511-R543 HydrophobicContact CG2-CB 4.18Å; V511-R543 HydrophobicContact CG2-CG 3.71Å
512E97.1Very high95.1Very high18 Ų1831.9 Ų31.98%0.08418%0.175CC..EExtended strand (participates in β ladder)trans-122.7130.2178.9177.547.5-123.800110.4L490 D514 V517 V535 T536 L537 G538L490-E512 HydrophobicContact CB-CB 3.88Å; L490-E512 HydrophobicContact CB-CG 3.95Å; L490-E512 VanDerWaalsContact CB-OE2 3.22Å; L490-E512 WeakPolarHBondContact CB-OE2 3.44Å; L490-E512 HydrophobicContact CD2-CB 4.4Å; L490-E512 HydrophobicContact CD2-CG 4.24Å; L490-E512 PolarHBondContact N-OE2 3.14Å; E512-D514 WeakPolarHBondContact CG-O 3.44Å; E512-D514 PolarHBondContact OE1-N 3.34Å; E512-V517 HydrophobicContact CG-CB 4.4Å; E512-V535 HydrophobicContact CB-CG1 4.27Å; E512-T536 PolarHBondContact N-O 3.27Å; E512-L537 HydrophobicContact CB-CD2 4.4Å; E512-L537 CarbonylContact O-C 3.53Å; E512-L537 VanDerWaalsContact O-CA 3.3Å; E512-L537 WeakPolarHBondContact O-CA 3.33Å; E512-G538 CarbonylContact C-O 3.57Å; E512-G538 PolarHBondContact O-N 3.49Å
513L95.6Very high95.3Very high88 Ų8837.1 Ų37.146%0.46120%0.199SC..SBendtrans-77.1-39.2-177.6-179.963.7000111.6L389 G538 D539L389-L513 HydrophobicContact CD1-CG 4.05Å; L389-L513 WeakPolarHBondContact CD1-O 3.33Å; L513-G538 WeakPolarHBondContact CA-O 3.34Å; L513-D539 HydrophobicContact CD1-CB 4.28Å
514D95.3Very high95.5Very high3 Ų339.6 Ų39.62%0.01621%0.209CC..  trans-101.4109.8-173.1-169.1-14.9000112.1S387 L389 S390 E512 V516 V517 L518S387-D514 VanDerWaalsContact CB-OD2 3.31Å; S387-D514 WeakPolarHBondContact CB-OD2 3.42Å; S387-D514 PolarHBondContact OG-OD1 2.86Å; S387-D514 VanDerWaalsContact OG-OD1 3.05Å; S387-D514 PolarHBondContact OG-OD2 2.8Å; L389-D514 HydrophobicContact CD1-CB 4.41Å; S390-D514 WeakPolarHBondContact CB-OD2 3.47Å; S390-D514 PolarHBondContact OG-OD2 3.36Å; E512-D514 WeakPolarHBondContact CG-O 3.44Å; E512-D514 PolarHBondContact OE1-N 3.34Å; D514-V516 PolarHBondContact O-N 3.3Å; D514-V516 VanDerWaalsContact O-N 3.13Å; D514-V516 VanDerWaalsContact OD1-CB 3.3Å; D514-V516 WeakPolarHBondContact OD1-CB 3.49Å; D514-V516 PolarHBondContact OD1-N 3.48Å; D514-V517 HydrophobicContact CB-CB 4.1Å; D514-V517 HydrophobicContact CB-CG2 3.72Å; D514-V517 WeakPolarHBondContact O-CB 3.46Å; D514-V517 PolarHBondContact O-N 3.29Å; D514-L518 PolarHBondContact O-N 3.39Å
515P96.6Very high96Very high63 Ų6337.8 Ų37.841%0.40920%0.196SC..Hα-helixtrans-59.5-27.417825-34.2000112.9L518 E519 L537P515-L518 PolarHBondContact O-N 3.02Å; P515-E519 WeakPolarHBondContact O-CG 3.5Å; P515-E519 PolarHBondContact O-N 3.27Å; P515-E519 VanDerWaalsContact O-N 3.15Å; P515-L537 HydrophobicContact CB-CD1 3.98Å; P515-L537 HydrophobicContact CB-CD2 4.16Å
516V96.5Very high96.2Very high37 Ų3734.4 Ų34.422%0.22419%0.185CC..Hα-helixtrans-70.7-35.7178.11780000111.1Y393 D514 L518 E519 V520Y393-V516 HydrophobicContact CD1-CG1 4.09Å; Y393-V516 HydrophobicContact CE1-CG1 3.3Å; D514-V516 PolarHBondContact O-N 3.3Å; D514-V516 VanDerWaalsContact O-N 3.13Å; D514-V516 VanDerWaalsContact OD1-CB 3.3Å; D514-V516 WeakPolarHBondContact OD1-CB 3.49Å; D514-V516 PolarHBondContact OD1-N 3.48Å; V516-L518 VanDerWaalsContact C-N 3.32Å; V516-L518 PolarHBondContact O-N 3Å; V516-E519 PolarHBondContact O-N 3.17Å; V516-V520 HydrophobicContact CG1-CG2 4.33Å; V516-V520 WeakPolarHBondContact O-CB 3.4Å; V516-V520 VanDerWaalsContact O-CG2 3.27Å; V516-V520 WeakPolarHBondContact O-CG2 3.36Å; V516-V520 PolarHBondContact O-N 3.05Å
517V95.8Very high96.4Very high10 Ų1034.6 Ų34.66%0.06119%0.185CC..Hα-helixtrans-63.5-41.6175.6173.30000110.3F411 G491 E512 D514 V520 A521F411-V517 HydrophobicContact CE1-CG2 4.39Å; F411-V517 HydrophobicContact CZ-CG2 3.87Å; G491-V517 WeakPolarHBondContact O-CG1 3.36Å; E512-V517 HydrophobicContact CG-CB 4.4Å; D514-V517 HydrophobicContact CB-CB 4.1Å; D514-V517 HydrophobicContact CB-CG2 3.72Å; D514-V517 WeakPolarHBondContact O-CB 3.46Å; D514-V517 PolarHBondContact O-N 3.29Å; V517-V520 PolarHBondContact O-N 3.36Å; V517-A521 WeakPolarHBondContact O-CB 3.37Å; V517-A521 PolarHBondContact O-N 3.24Å
518L97.3Very high96.3Very high11 Ų1140 Ų406%0.05820%0.196CC..Hα-helixtrans-59.3-47174175.759.4000112.6L490 D514 P515 V516 A521 K522 F527 V535 L537L490-L518 HydrophobicContact CD2-CB 4.07Å; L490-L518 HydrophobicContact CD2-CD1 3.67Å; D514-L518 PolarHBondContact O-N 3.39Å; P515-L518 PolarHBondContact O-N 3.02Å; V516-L518 VanDerWaalsContact C-N 3.32Å; V516-L518 PolarHBondContact O-N 3Å; L518-A521 PolarHBondContact O-N 2.77Å; L518-K522 HydrophobicContact CD1-CD 4.39Å; L518-K522 HydrophobicContact CD1-CG 4.38Å; L518-K522 HydrophobicContact CG-CD 4.46Å; L518-K522 WeakPolarHBondContact O-CG 3.13Å; L518-K522 PolarHBondContact O-N 3.25Å; L518-K522 VanDerWaalsContact O-N 3.08Å; L518-F527 HydrophobicContact CD1-CD1 4.18Å; L518-F527 HydrophobicContact CD1-CE1 3.83Å; L518-V535 HydrophobicContact CD1-CB 4.28Å; L518-V535 HydrophobicContact CD1-CG1 4.05Å; L518-V535 HydrophobicContact CD1-CG2 4.02Å; L518-V535 HydrophobicContact CD2-CB 4.44Å; L518-V535 HydrophobicContact CD2-CG1 4.04Å; L518-L537 HydrophobicContact CB-CD2 4.28Å; L518-L537 HydrophobicContact CD2-CD1 4.33Å; L518-L537 HydrophobicContact CD2-CD2 3.85Å; L518-L537 HydrophobicContact CD2-CG 4.14Å
519E97Very high96.2Very high101 Ų10142.6 Ų42.647%0.47221%0.213SC..Hα-helixtrans-66-41179.3-66.5-52.4116.100111.7P515 V516 A521 K522 E523P515-E519 WeakPolarHBondContact O-CG 3.5Å; P515-E519 PolarHBondContact O-N 3.27Å; P515-E519 VanDerWaalsContact O-N 3.15Å; V516-E519 PolarHBondContact O-N 3.17Å; E519-A521 PolarHBondContact O-N 3.21Å; E519-K522 PolarHBondContact O-N 2.91Å; E519-K522 IonicContact OE1-NZ 2.81Å; E519-K522 PolarHBondContact OE1-NZ 3.48Å; E519-E523 VanDerWaalsContact O-CB 3.32Å; E519-E523 WeakPolarHBondContact O-CB 3.3Å; E519-E523 PolarHBondContact O-N 3.35Å
520V96.6Very high96.1Very high3 Ų343.3 Ų43.32%0.01822%0.218CC..Hα-helixtrans-60.8-44.1174.2167.40000111.5Y393 V395 L409 V516 V517 K522 E523 W524 F525Y393-V520 HydrophobicContact CD2-CG2 4.22Å; Y393-V520 HydrophobicContact CE2-CG2 3.41Å; Y393-V520 VanDerWaalsContact CE2-CG2 3.41Å; V395-V520 HydrophobicContact CG2-CG1 3.77Å; L409-V520 HydrophobicContact CD1-CG1 4.1Å; L409-V520 HydrophobicContact CD2-CG1 4.19Å; V516-V520 HydrophobicContact CG1-CG2 4.33Å; V516-V520 WeakPolarHBondContact O-CB 3.4Å; V516-V520 VanDerWaalsContact O-CG2 3.27Å; V516-V520 WeakPolarHBondContact O-CG2 3.36Å; V516-V520 PolarHBondContact O-N 3.05Å; V517-V520 PolarHBondContact O-N 3.36Å; V520-K522 VanDerWaalsContact C-N 3.35Å; V520-K522 PolarHBondContact O-N 3.45Å; V520-E523 PolarHBondContact O-N 3.3Å; V520-W524 WeakPolarHBondContact O-CB 3.4Å; V520-W524 PolarHBondContact O-N 2.99Å; V520-F525 HydrophobicContact CG1-CD2 3.88Å; V520-F525 HydrophobicContact CG1-CE2 3.58Å
521A97.1Very high95.9Very high0 Ų051.2 Ų51.20%026%0.26CS..Hα-helixtrans-59.7-45.3178.400000111.5L490 V517 L518 E519 F525 G526 F527L490-A521 HydrophobicContact CD2-CB 4Å; L490-A521 HydrophobicContact CG-CB 4.47Å; V517-A521 WeakPolarHBondContact O-CB 3.37Å; V517-A521 PolarHBondContact O-N 3.24Å; L518-A521 PolarHBondContact O-N 2.77Å; E519-A521 PolarHBondContact O-N 3.21Å; A521-F525 CarbonylContact O-C 3.59Å; A521-F525 WeakPolarHBondContact O-CA 3.31Å; A521-F525 WeakPolarHBondContact O-CB 3.34Å; A521-F525 PolarHBondContact O-N 3.47Å; A521-G526 PolarHBondContact O-N 2.85Å; A521-F527 HydrophobicContact CB-CB 3.87Å; A521-F527 HydrophobicContact CB-CD1 4.31Å; A521-F527 HydrophobicContact CB-CG 4.23Å; A521-F527 WeakPolarHBondContact O-CB 3.48Å; A521-F527 PolarHBondContact O-N 2.85Å; A521-F527 VanDerWaalsContact O-N 3.17Å
522K96.1Very high95.8Very high82 Ų8255.5 Ų55.536%0.35728%0.276SS..Hα-helixtrans-64.6-48.3177.7-70.3172.5-172.71620112.4L518 E519 V520 F527L518-K522 HydrophobicContact CD1-CD 4.39Å; L518-K522 HydrophobicContact CD1-CG 4.38Å; L518-K522 HydrophobicContact CG-CD 4.46Å; L518-K522 WeakPolarHBondContact O-CG 3.13Å; L518-K522 PolarHBondContact O-N 3.25Å; L518-K522 VanDerWaalsContact O-N 3.08Å; E519-K522 PolarHBondContact O-N 2.91Å; E519-K522 IonicContact OE1-NZ 2.81Å; E519-K522 PolarHBondContact OE1-NZ 3.48Å; V520-K522 VanDerWaalsContact C-N 3.35Å; V520-K522 PolarHBondContact O-N 3.45Å; K522-F527 WeakPolarHBondContact CA-O 3.28Å; K522-F527 HydrophobicContact CG-CD1 4.09Å
523E95.1Very high95.8Very high129 Ų12954.7 Ų54.760%0.60327%0.272SS*.Hα-helixtrans-74.8-41-172-168.4179.7-166.800111.8E519 V520E519-E523 VanDerWaalsContact O-CB 3.32Å; E519-E523 WeakPolarHBondContact O-CB 3.3Å; E519-E523 PolarHBondContact O-N 3.35Å; V520-E523 PolarHBondContact O-N 3.3Å
524W95.4Very high95.9Very high54 Ų5453.3 Ų53.321%0.20527%0.267CS..Hα-helixtrans-115.7-25.8-167-57.2106.3000114.8V382 V395 R407 V520V382-W524 HydrophobicContact CG1-CD2 4.18Å; V382-W524 HydrophobicContact CG1-CE3 3.42Å; V382-W524 VanDerWaalsContact CG1-CE3 3.42Å; V382-W524 HydrophobicContact CG1-CH2 3.97Å; V382-W524 HydrophobicContact CG1-CZ3 3.3Å; V395-W524 HydrophobicContact CG1-CB 3.93Å; V395-W524 HydrophobicContact CG1-CG 4.13Å; V395-W524 HydrophobicContact CG2-CG 4.33Å; R407-W524 WeakPolarHBondContact CD-O 3.44Å; R407-W524 PolarHBondContact NH1-O 3.02Å; V520-W524 WeakPolarHBondContact O-CB 3.4Å; V520-W524 PolarHBondContact O-N 2.99Å
525F95.3Very high96.1Very high7 Ų755 Ų553%0.03128%0.277CS..SBendtrans-106.46.9-175.5-66-93.4000114V395 R407 L409 V451 G492 V520 A521 F527V395-F525 HydrophobicContact CG1-CE2 4.21Å; V395-F525 HydrophobicContact CG1-CZ 4.31Å; V395-F525 HydrophobicContact CG2-CE2 4.33Å; R407-F525 HydrophobicContact CB-CE1 4.3Å; R407-F525 HydrophobicContact CG-CD1 4.44Å; R407-F525 HydrophobicContact CG-CE1 3.83Å; R407-F525 HydrophobicContact CG-CZ 3.87Å; L409-F525 HydrophobicContact CB-CE2 4.01Å; L409-F525 HydrophobicContact CB-CZ 3.65Å; V451-F525 WeakPolarHBondContact CG2-O 3.32Å; G492-F525 WeakPolarHBondContact O-CB 3.3Å; V520-F525 HydrophobicContact CG1-CD2 3.88Å; V520-F525 HydrophobicContact CG1-CE2 3.58Å; A521-F525 CarbonylContact O-C 3.59Å; A521-F525 WeakPolarHBondContact O-CA 3.31Å; A521-F525 WeakPolarHBondContact O-CB 3.34Å; A521-F525 PolarHBondContact O-N 3.47Å; F525-F527 PolarHBondContact O-N 3.11Å
526G92.3Very high96.1Very high28 Ų2854.2 Ų54.229%0.28927%0.272SS..  trans7116.8174.400000114A521 R528A521-G526 PolarHBondContact O-N 2.85Å; G526-R528 PolarHBondContact O-N 2.87Å
527F96Very high96.2Very high5 Ų556.8 Ų56.82%0.02228%0.284CS..  trans-67.9126174.6-177.3-107.7000110.7L490 P496 Q497 L518 A521 K522 F525 P529 L533 V535L490-F527 HydrophobicContact CD1-CD1 4.39Å; L490-F527 HydrophobicContact CD1-CD2 4.09Å; L490-F527 HydrophobicContact CD1-CE1 3.95Å; L490-F527 HydrophobicContact CD1-CE2 3.58Å; L490-F527 HydrophobicContact CD1-CG 4.46Å; L490-F527 HydrophobicContact CD1-CZ 3.52Å; L490-F527 HydrophobicContact CD2-CE1 4.44Å; P496-F527 HydrophobicContact CB-CE2 4.27Å; P496-F527 HydrophobicContact CG-CE2 3.89Å; Q497-F527 HydrophobicContact CB-CD2 4.42Å; L518-F527 HydrophobicContact CD1-CD1 4.18Å; L518-F527 HydrophobicContact CD1-CE1 3.83Å; A521-F527 HydrophobicContact CB-CB 3.87Å; A521-F527 HydrophobicContact CB-CD1 4.31Å; A521-F527 HydrophobicContact CB-CG 4.23Å; A521-F527 WeakPolarHBondContact O-CB 3.48Å; A521-F527 PolarHBondContact O-N 2.85Å; A521-F527 VanDerWaalsContact O-N 3.17Å; K522-F527 WeakPolarHBondContact CA-O 3.28Å; K522-F527 HydrophobicContact CG-CD1 4.09Å; F525-F527 PolarHBondContact O-N 3.11Å; F527-P529 HydrophobicContact CE1-CB 4.22Å; F527-P529 HydrophobicContact CE1-CG 4.13Å; F527-L533 HydrophobicContact CD2-CD2 4.33Å; F527-L533 HydrophobicContact CE2-CD1 4.09Å; F527-L533 HydrophobicContact CE2-CD2 3.63Å; F527-L533 HydrophobicContact CE2-CG 4.09Å; F527-L533 HydrophobicContact CZ-CD1 4.11Å; F527-L533 HydrophobicContact CZ-CD2 4.06Å; F527-L533 HydrophobicContact CZ-CG 4.06Å; F527-V535 HydrophobicContact CE1-CG2 3.61Å; F527-V535 HydrophobicContact CZ-CG2 3.59Å
528R95.2Very high96.2Very high159 Ų15957.7 Ų57.760%0.630%0.295SS*.  trans-133.186.3-172-68.7175.4-172.3-168.20.5110.1G526G526-R528 PolarHBondContact O-N 2.87Å
529P95.1Very high96.2Very high56 Ų5659.6 Ų59.636%0.36431%0.305SS..  trans-65148.9174.628.2-33.5000111.1F527 L533F527-P529 HydrophobicContact CE1-CB 4.22Å; F527-P529 HydrophobicContact CE1-CG 4.13Å; P529-L533 CarbonylContact C-O 3.57Å; P529-L533 WeakPolarHBondContact CA-O 3.36Å; P529-L533 WeakPolarHBondContact CB-O 3.34Å
530D95.5Very high96.1Very high52 Ų5255 Ų5528%0.27829%0.285SS..BIsolated β-bridgetrans-154.5-167178.467.19.4000110R500 R532 L533R500-D530 IonicContact CZ-OD2 2.91Å; R500-D530 IonicContact NE-OD1 2.72Å; R500-D530 IonicContact NE-OD2 3.22Å; R500-D530 PolarHBondContact NE-OD2 2.78Å; R500-D530 IonicContact NH2-OD2 3.85Å; R500-D530 PolarHBondContact NH2-OD2 2.68Å; D530-R532 PolarHBondContact O-N 2.9Å; D530-R532 VanDerWaalsContact O-N 3.11Å; D530-R532 WeakPolarHBondContact OD1-CA 3.48Å; D530-R532 PolarHBondContact OD1-N 3.43Å; D530-L533 PolarHBondContact N-O 2.95Å; D530-L533 CarbonylContact O-C 3.54Å; D530-L533 VanDerWaalsContact O-C 3.27Å; D530-L533 PolarHBondContact O-N 2.7Å; D530-L533 VanDerWaalsContact O-N 3.11Å; D530-L533 PolarHBondContact OD1-N 3Å
531D95.2Very high96.1Very high166 Ų16656.4 Ų56.489%0.88829%0.292SS*.THydrogen-bonded Turntrans-62.4-18.7-179.2-59.3-23.5000113.8
532R95.1Very high96.1Very high94 Ų9463.2 Ų63.236%0.35532%0.324SS..THydrogen-bonded Turntrans-103.7-10176.7-62.5-164.3-59.6131.51.9113.4R500 A506 A507 V508 D530R500-R532 PolarHBondContact O-NH2 2.77Å; A506-R532 PolarHBondContact O-NH1 3.15Å; A507-R532 CarbonylContact C-O 3.49Å; A507-R532 WeakPolarHBondContact CA-O 3.3Å; V508-R532 PolarHBondContact N-O 2.72Å; D530-R532 PolarHBondContact O-N 2.9Å; D530-R532 VanDerWaalsContact O-N 3.11Å; D530-R532 WeakPolarHBondContact OD1-CA 3.48Å; D530-R532 PolarHBondContact OD1-N 3.43Å
533L97.6Very high96.1Very high0 Ų062 Ų620%032%0.317CS..EExtended strand (participates in β ladder)trans-135.596.9178171.257.6000109.3P496 R500 V508 V510 F527 P529 D530P496-L533 HydrophobicContact CB-CD1 3.82Å; R500-L533 HydrophobicContact CB-CB 4.05Å; R500-L533 HydrophobicContact CB-CD2 4.01Å; R500-L533 HydrophobicContact CG-CB 3.81Å; R500-L533 HydrophobicContact CG-CD2 4.21Å; V508-L533 HydrophobicContact CB-CD1 3.82Å; V508-L533 HydrophobicContact CG1-CD1 3.85Å; V508-L533 CarbonylContact O-C 3.57Å; V508-L533 WeakPolarHBondContact O-CA 3.49Å; V510-L533 HydrophobicContact CG2-CD1 3.87Å; F527-L533 HydrophobicContact CD2-CD2 4.33Å; F527-L533 HydrophobicContact CE2-CD1 4.09Å; F527-L533 HydrophobicContact CE2-CD2 3.63Å; F527-L533 HydrophobicContact CE2-CG 4.09Å; F527-L533 HydrophobicContact CZ-CD1 4.11Å; F527-L533 HydrophobicContact CZ-CD2 4.06Å; F527-L533 HydrophobicContact CZ-CG 4.06Å; P529-L533 CarbonylContact C-O 3.57Å; P529-L533 WeakPolarHBondContact CA-O 3.36Å; P529-L533 WeakPolarHBondContact CB-O 3.34Å; D530-L533 PolarHBondContact N-O 2.95Å; D530-L533 CarbonylContact O-C 3.54Å; D530-L533 VanDerWaalsContact O-C 3.27Å; D530-L533 PolarHBondContact O-N 2.7Å; D530-L533 VanDerWaalsContact O-N 3.11Å; D530-L533 PolarHBondContact OD1-N 3Å
534T98.1Very high96.2Very high60 Ų6055.9 Ų55.937%0.36829%0.289SS..EExtended strand (participates in β ladder)trans-108.2154.8-176.966.10000110.9V508 V510V508-T534 PolarHBondContact O-N 3.47Å; V510-T534 PolarHBondContact N-O 2.92Å
535V98.4Very high96.3Very high37 Ų3755.2 Ų55.222%0.22429%0.291CS..EExtended strand (participates in β ladder)trans-128128.7178.1-172.60000109.8V510 E512 L518 F527V510-V535 HydrophobicContact CB-CG1 4.47Å; V510-V535 HydrophobicContact CB-CG2 4.25Å; V510-V535 CarbonylContact O-C 3.56Å; V510-V535 WeakPolarHBondContact O-CA 3.47Å; E512-V535 HydrophobicContact CB-CG1 4.27Å; L518-V535 HydrophobicContact CD1-CB 4.28Å; L518-V535 HydrophobicContact CD1-CG1 4.05Å; L518-V535 HydrophobicContact CD1-CG2 4.02Å; L518-V535 HydrophobicContact CD2-CB 4.44Å; L518-V535 HydrophobicContact CD2-CG1 4.04Å; F527-V535 HydrophobicContact CE1-CG2 3.61Å; F527-V535 HydrophobicContact CZ-CG2 3.59Å
536T97.9Very high96.3Very high48 Ų4859.4 Ų59.429%0.29431%0.31SS..EExtended strand (participates in β ladder)trans-105.8123.8169.7-58.80000108.8V510 V511 E512V510-T536 PolarHBondContact O-N 2.96Å; V511-T536 WeakPolarHBondContact CA-O 3.38Å; E512-T536 PolarHBondContact N-O 3.27Å
537L98.1Very high96.5Very high91 Ų9158.3 Ų58.348%0.47630%0.297SS..EExtended strand (participates in β ladder)trans-81.4128.2173.1-70.6172.2000110.1E512 P515 L518E512-L537 HydrophobicContact CB-CD2 4.4Å; E512-L537 CarbonylContact O-C 3.53Å; E512-L537 VanDerWaalsContact O-CA 3.3Å; E512-L537 WeakPolarHBondContact O-CA 3.33Å; P515-L537 HydrophobicContact CB-CD1 3.98Å; P515-L537 HydrophobicContact CB-CD2 4.16Å; L518-L537 HydrophobicContact CB-CD2 4.28Å; L518-L537 HydrophobicContact CD2-CD1 4.33Å; L518-L537 HydrophobicContact CD2-CD2 3.85Å; L518-L537 HydrophobicContact CD2-CG 4.14Å
538G96.4Very high96.5Very high28 Ų2860.7 Ų60.729%0.28931%0.309SS..SBendtrans151.8-177.9177.200000113.8V511 E512 L513V511-G538 WeakPolarHBondContact CG1-O 3.38Å; E512-G538 CarbonylContact C-O 3.57Å; E512-G538 PolarHBondContact O-N 3.49Å; L513-G538 WeakPolarHBondContact CA-O 3.34Å
539D95.9Very high96.4Very high51 Ų5161.1 Ų61.127%0.27332%0.315SS..  trans-73.6131.3177.4-175.5-72.4000111.3L513 L541 E542 R543L513-D539 HydrophobicContact CD1-CB 4.28Å; D539-L541 PolarHBondContact O-N 2.91Å; D539-L541 WeakPolarHBondContact OD1-CA 3.33Å; D539-L541 WeakPolarHBondContact OD1-CB 3.38Å; D539-L541 PolarHBondContact OD1-N 2.9Å; D539-E542 HydrophobicContact CB-CB 4.07Å; D539-E542 HydrophobicContact CB-CG 3.88Å; D539-E542 PolarHBondContact O-N 3.42Å; D539-E542 PolarHBondContact OD1-N 3Å; D539-E542 VanDerWaalsContact OD1-N 3.09Å; D539-R543 PolarHBondContact O-N 3.27Å
540G96.1Very high96.3Very high5 Ų564.9 Ų64.95%0.05233%0.328CS..Hα-helixtrans-62.2-39.2-179.600000114R543 I544G540-R543 PolarHBondContact O-N 3.3Å; G540-I544 WeakPolarHBondContact O-CD1 3.43Å; G540-I544 VanDerWaalsContact O-CG1 3.22Å; G540-I544 WeakPolarHBondContact O-CG1 3.13Å; G540-I544 PolarHBondContact O-N 3.48Å
541L96.3Very high95.9Very high32 Ų3264.4 Ų64.417%0.16834%0.335CS..Hα-helixtrans-68.3-41.3178.3-57.3174.6000110.8D539 I544 C545 A577 F578 V583D539-L541 PolarHBondContact O-N 2.91Å; D539-L541 WeakPolarHBondContact OD1-CA 3.33Å; D539-L541 WeakPolarHBondContact OD1-CB 3.38Å; D539-L541 PolarHBondContact OD1-N 2.9Å; L541-I544 PolarHBondContact O-N 3.17Å; L541-C545 WeakPolarHBondContact O-CB 3.5Å; L541-C545 PolarHBondContact O-N 2.8Å; L541-C545 PolarHBondContact O-SG 2.93Å; L541-A577 HydrophobicContact CD1-CB 3.67Å; L541-F578 HydrophobicContact CD1-CD2 4.33Å; L541-F578 HydrophobicContact CD1-CE2 4.14Å; L541-F578 HydrophobicContact CD1-CZ 4.39Å; L541-F578 HydrophobicContact CD2-CB 4.43Å; L541-F578 HydrophobicContact CD2-CD1 3.5Å; L541-F578 VanDerWaalsContact CD2-CD1 3.5Å; L541-F578 HydrophobicContact CD2-CD2 4.1Å; L541-F578 HydrophobicContact CD2-CE1 3.58Å; L541-F578 HydrophobicContact CD2-CE2 4.19Å; L541-F578 HydrophobicContact CD2-CG 3.77Å; L541-F578 HydrophobicContact CD2-CZ 3.95Å; L541-F578 HydrophobicContact CG-CD1 4.23Å; L541-F578 HydrophobicContact CG-CD2 4.31Å; L541-F578 HydrophobicContact CG-CE1 3.86Å; L541-F578 HydrophobicContact CG-CE2 3.97Å; L541-F578 HydrophobicContact CG-CG 4.44Å; L541-F578 HydrophobicContact CG-CZ 3.73Å; L541-V583 HydrophobicContact CD2-CG1 3.73Å; L541-V583 HydrophobicContact CD2-CG2 4.08Å
542E97.2Very high95.2Very high143 Ų14361 Ų6167%0.66834%0.338SS*.Hα-helixtrans-61.7-44.6174.6-68.2-173.5170.800111.2D539 I544 C545 F546D539-E542 HydrophobicContact CB-CB 4.07Å; D539-E542 HydrophobicContact CB-CG 3.88Å; D539-E542 PolarHBondContact O-N 3.42Å; D539-E542 PolarHBondContact OD1-N 3Å; D539-E542 VanDerWaalsContact OD1-N 3.09Å; E542-I544 PolarHBondContact O-N 3.34Å; E542-C545 PolarHBondContact O-N 3.49Å; E542-F546 WeakPolarHBondContact O-CB 3.47Å; E542-F546 PolarHBondContact O-N 3.49Å
543R96.8Very high94.8Very high57 Ų5759.7 Ų59.722%0.21534%0.337CS..Hα-helixtrans-62.9-42.8177.7-177.556.8173.8170.52.4112.2E509 V511 D539 G540 F546 L547E509-R543 IonicContact OE2-NH2 3.18Å; V511-R543 HydrophobicContact CG1-CB 4.18Å; V511-R543 HydrophobicContact CG1-CG 4.48Å; V511-R543 HydrophobicContact CG2-CB 4.18Å; V511-R543 HydrophobicContact CG2-CG 3.71Å; D539-R543 PolarHBondContact O-N 3.27Å; G540-R543 PolarHBondContact O-N 3.3Å; R543-F546 VanDerWaalsContact NH1-CD1 3.34Å; R543-F546 PolarHBondContact O-N 3.23Å; R543-L547 HydrophobicContact CG-CD1 4.02Å; R543-L547 HydrophobicContact CG-CG 4.47Å; R543-L547 WeakPolarHBondContact O-CB 3.44Å; R543-L547 VanDerWaalsContact O-CG 3.31Å; R543-L547 WeakPolarHBondContact O-CG 3.19Å; R543-L547 PolarHBondContact O-N 2.92Å
544I97.3Very high94.6Very high1 Ų163.5 Ų63.51%0.00536%0.356CS..Hα-helixtrans-60.9-46174.8-71160.7000110.8V488 G540 L541 E542 F546 L547 E548 F560 K586 V587 L590V488-I544 HydrophobicContact CG2-CD1 4.46Å; G540-I544 WeakPolarHBondContact O-CD1 3.43Å; G540-I544 VanDerWaalsContact O-CG1 3.22Å; G540-I544 WeakPolarHBondContact O-CG1 3.13Å; G540-I544 PolarHBondContact O-N 3.48Å; L541-I544 PolarHBondContact O-N 3.17Å; E542-I544 PolarHBondContact O-N 3.34Å; I544-F546 VanDerWaalsContact C-N 3.29Å; I544-F546 PolarHBondContact O-N 2.91Å; I544-L547 PolarHBondContact O-N 3.11Å; I544-E548 WeakPolarHBondContact O-CB 3.49Å; I544-E548 PolarHBondContact O-N 3.23Å; I544-F560 HydrophobicContact CD1-CE1 3.66Å; I544-F560 HydrophobicContact CD1-CZ 3.47Å; I544-F560 VanDerWaalsContact CD1-CZ 3.47Å; I544-K586 HydrophobicContact CG2-CB 3.8Å; I544-V587 HydrophobicContact CD1-CG2 4.3Å; I544-V587 HydrophobicContact CG2-CG2 4.48Å; I544-L590 HydrophobicContact CG2-CD1 4.05Å
545C96.6Very high94.6Very high39 Ų3960.7 Ų60.726%0.26434%0.339SS..Hα-helixtrans-63.3-36.5177.8-71.20000112.4L541 E542 K549L541-C545 WeakPolarHBondContact O-CB 3.5Å; L541-C545 PolarHBondContact O-N 2.8Å; L541-C545 PolarHBondContact O-SG 2.93Å; E542-C545 PolarHBondContact O-N 3.49Å; C545-K549 WeakPolarHBondContact O-CB 3.28Å; C545-K549 WeakPolarHBondContact O-CD 3.38Å; C545-K549 WeakPolarHBondContact O-CG 3.44Å; C545-K549 PolarHBondContact O-N 3.01Å
546F96.1Very high94.5Very high96 Ų9659.6 Ų59.642%0.42133%0.332SS..Hα-helixtrans-66.8-50.2176.4174.5-93.1000111.6E542 R543 I544 E548 K549 E550E542-F546 WeakPolarHBondContact O-CB 3.47Å; E542-F546 PolarHBondContact O-N 3.49Å; R543-F546 VanDerWaalsContact NH1-CD1 3.34Å; R543-F546 PolarHBondContact O-N 3.23Å; I544-F546 VanDerWaalsContact C-N 3.29Å; I544-F546 PolarHBondContact O-N 2.91Å; F546-E548 VanDerWaalsContact C-N 3.34Å; F546-E548 PolarHBondContact O-N 3.2Å; F546-K549 PolarHBondContact O-N 3.26Å; F546-E550 VanDerWaalsContact CE1-CD 3.4Å; F546-E550 HydrophobicContact CE1-CG 3.96Å; F546-E550 WeakPolarHBondContact CE1-OE2 3.23Å; F546-E550 HydrophobicContact CE2-CG 4.1Å; F546-E550 HydrophobicContact CZ-CG 3.73Å; F546-E550 WeakPolarHBondContact CZ-OE1 3.39Å; F546-E550 VanDerWaalsContact CZ-OE2 3.29Å; F546-E550 WeakPolarHBondContact CZ-OE2 3.3Å; F546-E550 PolarHBondContact O-N 2.9Å
547L95.8Very high94.5Very high4 Ų457.3 Ų57.32%0.02132%0.318CS..Hα-helixtrans-60-42.1-179.6-73.6169.2000112.2L486 R543 I544 K549 G551 F555 L590L486-L547 HydrophobicContact CD2-CD1 4.08Å; R543-L547 HydrophobicContact CG-CD1 4.02Å; R543-L547 HydrophobicContact CG-CG 4.47Å; R543-L547 WeakPolarHBondContact O-CB 3.44Å; R543-L547 VanDerWaalsContact O-CG 3.31Å; R543-L547 WeakPolarHBondContact O-CG 3.19Å; R543-L547 PolarHBondContact O-N 2.92Å; I544-L547 PolarHBondContact O-N 3.11Å; L547-K549 VanDerWaalsContact C-N 3.34Å; L547-G551 PolarHBondContact O-N 3.48Å; L547-F555 HydrophobicContact CD1-CE2 3.97Å; L547-F555 HydrophobicContact CD1-CZ 4.1Å; L547-L590 HydrophobicContact CB-CD1 4.07Å; L547-L590 HydrophobicContact CB-CD2 4Å
548E94.9Very high94.5Very high55 Ų5553 Ų5326%0.25730%0.295SS..Hα-helixtrans-68.9-33.5178.7-175.7-108.9-153.200112.4I544 F546 K586 N589 L590I544-E548 WeakPolarHBondContact O-CB 3.49Å; I544-E548 PolarHBondContact O-N 3.23Å; F546-E548 VanDerWaalsContact C-N 3.34Å; F546-E548 PolarHBondContact O-N 3.2Å; E548-K586 HydrophobicContact CG-CB 4.44Å; E548-K586 HydrophobicContact CG-CG 4.27Å; E548-K586 IonicContact OE1-NZ 3.07Å; E548-K586 PolarHBondContact OE1-NZ 2.74Å; E548-K586 VanDerWaalsContact OE1-NZ 3.09Å; E548-K586 IonicContact OE2-NZ 2.64Å; E548-K586 PolarHBondContact OE2-NZ 2.93Å; E548-N589 HydrophobicContact CG-CB 4.5Å; E548-L590 HydrophobicContact CB-CD1 4.34Å; E548-L590 HydrophobicContact CB-CD2 4.24Å; E548-L590 HydrophobicContact CB-CG 4.23Å
549K94Very high94.6Very high168 Ų16851.7 Ų51.773%0.7328%0.282SS*.Hα-helixtrans-73-41.1175.7-77.1175.2-177.3176.90113.2C545 F546 L547 G551C545-K549 WeakPolarHBondContact O-CB 3.28Å; C545-K549 WeakPolarHBondContact O-CD 3.38Å; C545-K549 WeakPolarHBondContact O-CG 3.44Å; C545-K549 PolarHBondContact O-N 3.01Å; F546-K549 PolarHBondContact O-N 3.26Å; L547-K549 VanDerWaalsContact C-N 3.34Å; K549-G551 VanDerWaalsContact C-N 3.32Å
550E93.5Very high94.7Very high136 Ų13649.2 Ų49.264%0.63627%0.269SS*.Hα-helixtrans-64.2-40.8175.3-83.2-158.413600111.2F546F546-E550 VanDerWaalsContact CE1-CD 3.4Å; F546-E550 HydrophobicContact CE1-CG 3.96Å; F546-E550 WeakPolarHBondContact CE1-OE2 3.23Å; F546-E550 HydrophobicContact CE2-CG 4.1Å; F546-E550 HydrophobicContact CZ-CG 3.73Å; F546-E550 WeakPolarHBondContact CZ-OE1 3.39Å; F546-E550 VanDerWaalsContact CZ-OE2 3.29Å; F546-E550 WeakPolarHBondContact CZ-OE2 3.3Å; F546-E550 PolarHBondContact O-N 2.9Å
551G86.7Confident94.6Very high41 Ų4150.6 Ų50.642%0.42328%0.275SS..  trans69.8174-17600000113.1L547 K549 H553L547-G551 PolarHBondContact O-N 3.48Å; K549-G551 VanDerWaalsContact C-N 3.32Å; G551-H553 VanDerWaalsContact C-N 3.26Å; G551-H553 PolarHBondContact O-N 3.28Å
552G79.6Confident94.3Very high94 Ų9450.2 Ų50.297%0.96927%0.274SS*.SBendtrans79.7-5175.100000116.2
553H86.8Confident93.5Very high68 Ų6846 Ų4632%0.31526%0.256SS..  trans-116.3123173.6-162.336.9000110.7E509 G551 F555E509-H553 IonicContact OE1-CD2 2.94Å; E509-H553 IonicContact OE1-CE1 3.59Å; E509-H553 IonicContact OE1-NE2 2.63Å; E509-H553 PolarHBondContact OE1-NE2 3.03Å; G551-H553 VanDerWaalsContact C-N 3.26Å; G551-H553 PolarHBondContact O-N 3.28Å; H553-F555 AromaticContact CD2-CE1 3.95Å; H553-F555 AromaticContact CD2-CE2 3.78Å; H553-F555 AromaticContact CD2-CZ 3.27Å; H553-F555 WeakPolarHBondContact CD2-CZ 3.41Å; H553-F555 AromaticContact NE2-CE1 3.48Å; H553-F555 WeakPolarHBondContact NE2-CE1 3.25Å; H553-F555 AromaticContact NE2-CZ 3.31Å; H553-F555 VanDerWaalsContact NE2-CZ 3.31Å; H553-F555 WeakPolarHBondContact NE2-CZ 3.48Å
554L94.6Very high92.3Very high80 Ų8044.8 Ų44.842%0.41925%0.254SS..  trans-127.2147.7179.9-63.5178.1000110.3N589 L590 T592L554-N589 WeakPolarHBondContact CD2-O 3.22Å; L554-L590 CarbonylContact C-O 3.27Å; L554-L590 VanDerWaalsContact CA-O 3.29Å; L554-L590 WeakPolarHBondContact CA-O 3.26Å; L554-T592 HydrophobicContact CB-CG2 3.8Å
555F97.3Very high90.8Very high0 Ų049.7 Ų49.70%028%0.275CS..EExtended strand (participates in β ladder)trans-114.4143.2-178.7-60-85.1000111.2S484 L486 L547 H553 I558 L590 L591 T592S484-F555 VanDerWaalsContact OG-CD1 3.26Å; S484-F555 WeakPolarHBondContact OG-CD1 3.25Å; L486-F555 HydrophobicContact CB-CD1 3.65Å; L486-F555 HydrophobicContact CB-CD2 4.11Å; L486-F555 HydrophobicContact CB-CE1 3.73Å; L486-F555 HydrophobicContact CB-CE2 4.19Å; L486-F555 HydrophobicContact CB-CG 3.84Å; L486-F555 HydrophobicContact CB-CZ 3.98Å; L486-F555 HydrophobicContact CD1-CZ 4.32Å; L486-F555 HydrophobicContact CD2-CD2 4.33Å; L486-F555 HydrophobicContact CD2-CE2 4.03Å; L486-F555 HydrophobicContact CD2-CZ 4.28Å; L486-F555 HydrophobicContact CG-CZ 4.43Å; L547-F555 HydrophobicContact CD1-CE2 3.97Å; L547-F555 HydrophobicContact CD1-CZ 4.1Å; H553-F555 AromaticContact CD2-CE1 3.95Å; H553-F555 AromaticContact CD2-CE2 3.78Å; H553-F555 AromaticContact CD2-CZ 3.27Å; H553-F555 WeakPolarHBondContact CD2-CZ 3.41Å; H553-F555 AromaticContact NE2-CE1 3.48Å; H553-F555 WeakPolarHBondContact NE2-CE1 3.25Å; H553-F555 AromaticContact NE2-CZ 3.31Å; H553-F555 VanDerWaalsContact NE2-CZ 3.31Å; H553-F555 WeakPolarHBondContact NE2-CZ 3.48Å; F555-I558 HydrophobicContact CB-CD1 4.49Å; F555-I558 HydrophobicContact CB-CG1 3.9Å; F555-I558 HydrophobicContact CD2-CD1 4.38Å; F555-I558 HydrophobicContact CD2-CG1 4.36Å; F555-I558 HydrophobicContact CG-CG1 4.34Å; F555-L590 PolarHBondContact N-O 2.82Å; F555-L591 CarbonylContact O-C 3.57Å; F555-L591 VanDerWaalsContact O-CA 3.31Å; F555-L591 WeakPolarHBondContact O-CA 3.44Å; F555-T592 PolarHBondContact O-N 3.4Å
556D96.5Very high89.2Confident15 Ų1551.4 Ų51.48%0.0828%0.282CS..EExtended strand (participates in β ladder)trans-76.5-33.2170.1-64.1-60.7000110.9L471 V483 S484 T592 G595 M596L471-D556 HydrophobicContact CD1-CB 3.96Å; V483-D556 HydrophobicContact CG1-CB 4.37Å; S484-D556 PolarHBondContact N-OD2 2.79Å; S484-D556 PolarHBondContact O-N 2.99Å; D556-T592 WeakPolarHBondContact OD1-CG2 3.39Å; D556-T592 PolarHBondContact OD1-OG1 2.67Å; D556-G595 CarbonylContact O-C 3.55Å; D556-G595 WeakPolarHBondContact O-CA 3.48Å; D556-M596 PolarHBondContact O-N 3.03Å
557V97.9Very high87.2Confident0 Ų051.4 Ų51.40%029%0.293CS..EExtended strand (participates in β ladder)trans-131.6132174.9-165.70000110.6L468 L471 V483 S484 V485 L486 M559 M596 I598L468-V557 HydrophobicContact CD1-CG2 4.27Å; L468-V557 HydrophobicContact CG-CG2 4.23Å; L471-V557 HydrophobicContact CD1-CG2 3.42Å; L471-V557 VanDerWaalsContact CD1-CG2 3.42Å; L471-V557 HydrophobicContact CG-CG2 4.36Å; V483-V557 HydrophobicContact CG1-CG2 4.44Å; S484-V557 PolarHBondContact O-N 2.72Å; V485-V557 CarbonylContact C-O 3.55Å; V485-V557 VanDerWaalsContact CA-O 3.31Å; V485-V557 WeakPolarHBondContact CA-O 3.36Å; V485-V557 HydrophobicContact CG1-CB 4.23Å; V485-V557 HydrophobicContact CG2-CB 4.18Å; V485-V557 HydrophobicContact CG2-CG2 4.35Å; L486-V557 PolarHBondContact N-O 2.93Å; V557-M559 HydrophobicContact CG1-CE 3.74Å; V557-M559 HydrophobicContact CG1-CG 3.63Å; V557-M596 WeakPolarHBondContact CA-O 3.36Å; V557-M596 HydrophobicContact CG1-CG 4.28Å; V557-M596 HydrophobicContact CG2-CG 4.33Å; V557-I598 HydrophobicContact CG1-CD1 3.88Å; V557-I598 HydrophobicContact CG1-CG1 4.14Å
558I98.5Very high85.2Confident0 Ų056 Ų560%033%0.325CS..EExtended strand (participates in β ladder)trans-112.9125.8161.9-60.1172.4000107.1L486 F555 F560 V587 L590 L591 M596 F597 I598L486-I558 HydrophobicContact CB-CG1 4.18Å; L486-I558 HydrophobicContact CD2-CG1 4.43Å; L486-I558 HydrophobicContact CD2-CG2 4.31Å; L486-I558 CarbonylContact O-C 3.58Å; L486-I558 WeakPolarHBondContact O-CA 3.38Å; F555-I558 HydrophobicContact CB-CD1 4.49Å; F555-I558 HydrophobicContact CB-CG1 3.9Å; F555-I558 HydrophobicContact CD2-CD1 4.38Å; F555-I558 HydrophobicContact CD2-CG1 4.36Å; F555-I558 HydrophobicContact CG-CG1 4.34Å; I558-F560 HydrophobicContact CG2-CD1 4.31Å; I558-F560 HydrophobicContact CG2-CE1 3.86Å; I558-V587 HydrophobicContact CB-CG1 4.14Å; I558-V587 HydrophobicContact CD1-CG1 3.86Å; I558-V587 HydrophobicContact CG2-CG1 4.04Å; I558-L590 HydrophobicContact CD1-CB 3.75Å; I558-L591 HydrophobicContact CB-CD2 4.22Å; I558-L591 HydrophobicContact CD1-CD2 3.83Å; I558-L591 HydrophobicContact CD1-CG 4.14Å; I558-L591 HydrophobicContact CG1-CD2 3.73Å; I558-M596 PolarHBondContact N-O 2.78Å; I558-F597 HydrophobicContact CB-CD2 4.31Å; I558-F597 HydrophobicContact CG2-CD2 4.23Å; I558-F597 CarbonylContact O-C 3.49Å; I558-F597 WeakPolarHBondContact O-CA 3.29Å; I558-F597 WeakPolarHBondContact O-CD2 3.46Å; I558-I598 PolarHBondContact O-N 3.02Å
559M98.5Very high83.5Confident0 Ų056.1 Ų56.10%033%0.33CS..EExtended strand (participates in β ladder)trans-117.7129.8-179.1-61.8-170.2-179.100110.2M464 L468 V485 L486 L487 V488 L495 L499 V557 I598M464-M559 HydrophobicContact CE-CB 3.88Å; M464-M559 HydrophobicContact CE-CG 4.24Å; M464-M559 HydrophobicContact CE-SD 3.99Å; L468-M559 HydrophobicContact CD1-CE 3.48Å; L468-M559 VanDerWaalsContact CD1-CE 3.48Å; V485-M559 HydrophobicContact CG1-CE 4.34Å; V485-M559 HydrophobicContact CG1-CG 4.35Å; V485-M559 HydrophobicContact CG1-SD 4.39Å; L486-M559 PolarHBondContact O-N 2.86Å; L487-M559 HydrophobicContact CD1-CB 3.51Å; L487-M559 HydrophobicContact CD1-SD 4.4Å; V488-M559 PolarHBondContact N-O 3.42Å; L495-M559 HydrophobicContact CD2-SD 4.09Å; L499-M559 HydrophobicContact CD1-CE 3.94Å; L499-M559 HydrophobicContact CD1-SD 4.12Å; L499-M559 HydrophobicContact CD2-CE 4.43Å; V557-M559 HydrophobicContact CG1-CE 3.74Å; V557-M559 HydrophobicContact CG1-CG 3.63Å; M559-I598 CarbonylContact C-O 3.51Å; M559-I598 VanDerWaalsContact CA-O 3.32Å; M559-I598 WeakPolarHBondContact CA-O 3.41Å; M559-I598 HydrophobicContact CE-CD1 4.19Å; M559-I598 HydrophobicContact CG-CB 4.21Å
560F97.8Very high81.7Confident0 Ų049.8 Ų49.80%031%0.312CS..EExtended strand (participates in β ladder)trans-107.5119.1167.9-71.5-2.7000110V488 I544 I558 F578 V587 F597 I598 L599 N600V488-F560 HydrophobicContact CB-CD1 3.83Å; V488-F560 HydrophobicContact CB-CE1 4.2Å; V488-F560 HydrophobicContact CG2-CD1 3.73Å; V488-F560 HydrophobicContact CG2-CE1 3.63Å; I544-F560 HydrophobicContact CD1-CE1 3.66Å; I544-F560 HydrophobicContact CD1-CZ 3.47Å; I544-F560 VanDerWaalsContact CD1-CZ 3.47Å; I558-F560 HydrophobicContact CG2-CD1 4.31Å; I558-F560 HydrophobicContact CG2-CE1 3.86Å; F560-F578 HydrophobicContact CD2-CB 4.1Å; F560-F578 AromaticContact CD2-CD1 3.83Å; F560-F578 HydrophobicContact CD2-CD1 3.83Å; F560-F578 HydrophobicContact CD2-CG 4.41Å; F560-F578 HydrophobicContact CE1-CD1 4.48Å; F560-F578 HydrophobicContact CE2-CB 4.06Å; F560-F578 AromaticContact CE2-CD1 3.64Å; F560-F578 HydrophobicContact CE2-CD1 3.64Å; F560-F578 HydrophobicContact CE2-CG 4.35Å; F560-F578 HydrophobicContact CG-CD1 4.36Å; F560-F578 AromaticContact CZ-CD1 3.99Å; F560-F578 HydrophobicContact CZ-CD1 3.99Å; F560-V587 HydrophobicContact CE1-CG2 4.37Å; F560-V587 HydrophobicContact CE2-CG2 4.29Å; F560-V587 HydrophobicContact CZ-CG2 3.6Å; F560-F597 HydrophobicContact CB-CE2 4.19Å; F560-F597 HydrophobicContact CB-CZ 4.48Å; F560-F597 AromaticContact CD1-CE2 4Å; F560-F597 HydrophobicContact CD1-CE2 4Å; F560-F597 AromaticContact CD2-CE2 3.62Å; F560-F597 HydrophobicContact CD2-CE2 3.62Å; F560-F597 AromaticContact CD2-CZ 3.57Å; F560-F597 HydrophobicContact CD2-CZ 3.57Å; F560-F597 HydrophobicContact CE1-CE2 4.22Å; F560-F597 AromaticContact CE2-CE2 3.86Å; F560-F597 HydrophobicContact CE2-CE2 3.86Å; F560-F597 AromaticContact CE2-CZ 3.85Å; F560-F597 HydrophobicContact CE2-CZ 3.85Å; F560-F597 AromaticContact CG-CE2 3.67Å; F560-F597 HydrophobicContact CG-CE2 3.67Å; F560-F597 HydrophobicContact CG-CZ 4.05Å; F560-F597 HydrophobicContact CZ-CE2 4.15Å; F560-I598 PolarHBondContact N-O 2.79Å; F560-L599 HydrophobicContact CB-CD1 3.7Å; F560-L599 HydrophobicContact CD2-CD1 4.15Å; F560-L599 HydrophobicContact CG-CD1 4.44Å; F560-N600 PolarHBondContact O-N 2.8Å; F560-N600 VanDerWaalsContact O-N 3.11Å
561D94.3Very high80.6Confident33 Ų3343.4 Ų43.418%0.17628%0.282CS..  trans-133.460.5172.6-166.232.1000109.5H461 M464 L487 V488 N600H461-D561 IonicContact CD2-OD2 3.89Å; H461-D561 IonicContact CE1-OD2 2.75Å; H461-D561 IonicContact NE2-OD2 3.92Å; H461-D561 PolarHBondContact NE2-OD2 3.17Å; M464-D561 HydrophobicContact CE-CB 4.23Å; L487-D561 HydrophobicContact CD1-CB 4.28Å; V488-D561 CarbonylContact O-C 3.53Å; V488-D561 PolarHBondContact O-N 2.78Å; D561-N600 PolarHBondContact OD1-ND2 3.3Å
562V89.4Confident79.8Confident25 Ų2542.7 Ų42.715%0.15227%0.271CS..  trans-111.1117.3-171.9-173.20000109.9V488 C573 P574 P575 F578V488-V562 HydrophobicContact CB-CG2 4.01Å; V488-V562 HydrophobicContact CG1-CG2 3.6Å; V488-V562 VanDerWaalsContact O-CG2 3.22Å; V488-V562 WeakPolarHBondContact O-CG2 3.09Å; V562-C573 PolarHBondContact O-SG 2.88Å; V562-P574 WeakPolarHBondContact O-CA 3.44Å; V562-P575 HydrophobicContact CG1-CG 4.4Å; V562-F578 HydrophobicContact CG1-CE2 4.24Å; V562-F578 HydrophobicContact CG1-CZ 4.29Å; V562-F578 HydrophobicContact CG2-CE1 4.26Å; V562-F578 HydrophobicContact CG2-CZ 4.28Å
563D81.6Confident79.7Confident54 Ų5438.5 Ų38.529%0.28923%0.227SC..  trans-76.3142.7174.9-166.930.3000111.7Q419 S572Q419-D563 PolarHBondContact NE2-OD2 3.23Å; Q419-D563 VanDerWaalsContact NE2-OD2 3.1Å; D563-S572 VanDerWaalsContact OD1-O 3.09Å
564N71.8Confident79.7Confident32 Ų3235.3 Ų35.317%0.17121%0.212CC..  trans-94.2113.6170-177.611.7000108.8D566 M571 S572 P575N564-D566 PolarHBondContact O-N 2.67Å; N564-D566 PolarHBondContact OD1-N 3.32Å; N564-D566 VanDerWaalsContact OD1-N 3.16Å; N564-M571 PolarHBondContact ND2-O 3.44Å; N564-M571 VanDerWaalsContact ND2-O 3.11Å; N564-S572 WeakPolarHBondContact CA-O 3.27Å; N564-S572 WeakPolarHBondContact CB-O 3.49Å; N564-S572 PolarHBondContact N-O 3.29Å; N564-P575 HydrophobicContact CB-CG 4.02Å
565K65.6Low79.4Confident103 Ų10332.9 Ų32.945%0.44820%0.201SC..SBendtrans-67.4-14.4-179.3-66175.2176.5172.60113.6L389 S390L389-K565 VanDerWaalsContact C-NZ 3.34Å; L389-K565 PolarHBondContact O-NZ 2.88Å; S390-K565 WeakPolarHBondContact OG-CE 3.45Å; S390-K565 PolarHBondContact OG-NZ 3.29Å
566D61.3Low79Confident76 Ų7635.6 Ų35.641%0.40622%0.224SC..  trans-92.999.8175.9-171.1-6000111.8N564 S568 V569N564-D566 PolarHBondContact O-N 2.67Å; N564-D566 PolarHBondContact OD1-N 3.32Å; N564-D566 VanDerWaalsContact OD1-N 3.16Å; D566-S568 VanDerWaalsContact CG-OG 3.24Å; D566-S568 PolarHBondContact O-N 2.66Å; D566-S568 WeakPolarHBondContact OD1-CB 3.26Å; D566-S568 PolarHBondContact OD1-N 2.79Å; D566-S568 PolarHBondContact OD1-OG 3.14Å; D566-S568 PolarHBondContact OD2-OG 2.83Å; D566-V569 HydrophobicContact CB-CG2 4.34Å
567S55.3Low78.8Confident96 Ų9636.6 Ų36.667%0.67123%0.234SC*.THydrogen-bonded Turntrans-72.5-5.617759.60000114.6V569S567-V569 VanDerWaalsContact C-N 3.33Å
568S53.5Low78.7Confident99 Ų9937.2 Ų37.269%0.69224%0.237SC*.THydrogen-bonded Turntrans-79.1-18.9178.575.40000112.9D566D566-S568 VanDerWaalsContact CG-OG 3.24Å; D566-S568 PolarHBondContact O-N 2.66Å; D566-S568 WeakPolarHBondContact OD1-CB 3.26Å; D566-S568 PolarHBondContact OD1-N 2.79Å; D566-S568 PolarHBondContact OD1-OG 3.14Å; D566-S568 PolarHBondContact OD2-OG 2.83Å
569V59.8Low78.5Confident59 Ų5937.2 Ų37.236%0.35824%0.237SC..SBendtrans-84.8133.6175.8-170.20000108.6D566 S567 M571D566-V569 HydrophobicContact CB-CG2 4.34Å; S567-V569 VanDerWaalsContact C-N 3.33Å; V569-M571 PolarHBondContact O-N 2.87Å
570G56.1Low78.3Confident34 Ų3442.4 Ų42.435%0.35126%0.261SS..SBendtrans-61.31.5-179.100000116R604G570-R604 PolarHBondContact O-N 3.21Å
571M69.7Low78.3Confident2 Ų245.6 Ų45.61%0.0128%0.28CS..EExtended strand (participates in β ladder)trans-126.8119176.8-177.4-177.4-71.800110.1N564 V569 P574 V579 L601 C603 L608 V612N564-M571 PolarHBondContact ND2-O 3.44Å; N564-M571 VanDerWaalsContact ND2-O 3.11Å; V569-M571 PolarHBondContact O-N 2.87Å; M571-P574 WeakPolarHBondContact CG-O 3.18Å; M571-V579 HydrophobicContact SD-CG2 4.28Å; M571-L601 HydrophobicContact CE-CD1 4.38Å; M571-C603 HydrophobicContact CE-CB 4.42Å; M571-C603 HydrophobicContact CG-CB 4.45Å; M571-L608 HydrophobicContact CB-CD2 3.7Å; M571-L608 HydrophobicContact CE-CD1 4.2Å; M571-L608 HydrophobicContact CE-CD2 3.81Å; M571-L608 HydrophobicContact CE-CG 3.67Å; M571-V612 HydrophobicContact CE-CB 4.42Å; M571-V612 HydrophobicContact CE-CG2 3.15Å
572S69.9Low78.4Confident27 Ų2747.2 Ų47.219%0.18930%0.299CS..EExtended strand (participates in β ladder)trans-101.4-22.3-176.9-50.60000112.4D563 N564 V602D563-S572 VanDerWaalsContact OD1-O 3.09Å; N564-S572 WeakPolarHBondContact CA-O 3.27Å; N564-S572 WeakPolarHBondContact CB-O 3.49Å; N564-S572 PolarHBondContact N-O 3.29Å; S572-V602 PolarHBondContact N-O 3.35Å
573C77.7Confident78.8Confident6 Ų646.9 Ų46.94%0.04130%0.296CS..EExtended strand (participates in β ladder)trans-151.7123.3175.7179.70000109V562 N600 L601 V602V562-C573 PolarHBondContact O-SG 2.88Å; C573-N600 PolarHBondContact SG-O 2.84Å; C573-N600 VanDerWaalsContact SG-O 3.33Å; C573-L601 CarbonylContact O-C 3.57Å; C573-L601 WeakPolarHBondContact O-CA 3.36Å; C573-V602 HydrophobicContact CB-CB 3.82Å; C573-V602 HydrophobicContact CB-CG2 3.83Å; C573-V602 PolarHBondContact N-O 2.9Å; C573-V602 PolarHBondContact O-N 3.28Å
574P87.1Confident79.6Confident0 Ų044.3 Ų44.30%028%0.283CS..SBendcis-84.2176.5-8.738.8-38.2000112.4V562 M571 F578 V579 L599V562-P574 WeakPolarHBondContact O-CA 3.44Å; M571-P574 WeakPolarHBondContact CG-O 3.18Å; P574-F578 HydrophobicContact CB-CB 3.8Å; P574-F578 HydrophobicContact CB-CD2 4.41Å; P574-F578 HydrophobicContact CB-CG 4.19Å; P574-F578 HydrophobicContact CG-CB 3.88Å; P574-V579 HydrophobicContact CG-CG1 3.65Å; P574-L599 HydrophobicContact CG-CD1 3.89Å
575P88.9Confident80.8Confident30 Ų3046.6 Ų46.620%0.19529%0.293CS..  trans-55.7145162.9-21.631.3000111.6V562 N564 A577 F578V562-P575 HydrophobicContact CG1-CG 4.4Å; N564-P575 HydrophobicContact CB-CG 4.02Å; P575-A577 PolarHBondContact O-N 3.45Å; P575-F578 HydrophobicContact CB-CD2 4.01Å; P575-F578 HydrophobicContact CB-CE2 4.39Å; P575-F578 HydrophobicContact CG-CD2 4.03Å; P575-F578 HydrophobicContact CG-CE2 4.09Å; P575-F578 WeakPolarHBondContact O-CB 3.49Å; P575-F578 PolarHBondContact O-N 3.23Å
576A88.6Confident82.3Confident57 Ų5744 Ų4447%0.47128%0.281SS..G310 helixtrans-54.4-33.9-170.900000114.4F578 V579 E580A576-F578 PolarHBondContact O-N 3.43Å; A576-V579 WeakPolarHBondContact O-CG2 3.1Å; A576-V579 PolarHBondContact O-N 3.37Å; A576-V579 VanDerWaalsContact O-N 3.11Å; A576-E580 PolarHBondContact O-N 3.1Å
577A92Very high84Confident36 Ų3640.3 Ų40.330%0.29826%0.262SS..G310 helixtrans-58.7-30.9178.400000113.4L541 P575 V579 E580 V583L541-A577 HydrophobicContact CD1-CB 3.67Å; P575-A577 PolarHBondContact O-N 3.45Å; A577-V579 PolarHBondContact O-N 2.71Å; A577-E580 PolarHBondContact O-N 3.13Å; A577-V583 WeakPolarHBondContact O-CG2 3.2Å
578F94.8Very high86Confident13 Ų1337.6 Ų37.66%0.05724%0.238CC..G310 helixtrans-69.6-20178.9-77.7-92.1000113.8V488 L541 F560 V562 P574 P575 A576V488-F578 HydrophobicContact CG1-CE1 3.95Å; V488-F578 HydrophobicContact CG1-CZ 4.39Å; L541-F578 HydrophobicContact CD1-CD2 4.33Å; L541-F578 HydrophobicContact CD1-CE2 4.14Å; L541-F578 HydrophobicContact CD1-CZ 4.39Å; L541-F578 HydrophobicContact CD2-CB 4.43Å; L541-F578 HydrophobicContact CD2-CD1 3.5Å; L541-F578 VanDerWaalsContact CD2-CD1 3.5Å; L541-F578 HydrophobicContact CD2-CD2 4.1Å; L541-F578 HydrophobicContact CD2-CE1 3.58Å; L541-F578 HydrophobicContact CD2-CE2 4.19Å; L541-F578 HydrophobicContact CD2-CG 3.77Å; L541-F578 HydrophobicContact CD2-CZ 3.95Å; L541-F578 HydrophobicContact CG-CD1 4.23Å; L541-F578 HydrophobicContact CG-CD2 4.31Å; L541-F578 HydrophobicContact CG-CE1 3.86Å; L541-F578 HydrophobicContact CG-CE2 3.97Å; L541-F578 HydrophobicContact CG-CG 4.44Å; L541-F578 HydrophobicContact CG-CZ 3.73Å; F560-F578 HydrophobicContact CD2-CB 4.1Å; F560-F578 AromaticContact CD2-CD1 3.83Å; F560-F578 HydrophobicContact CD2-CD1 3.83Å; F560-F578 HydrophobicContact CD2-CG 4.41Å; F560-F578 HydrophobicContact CE1-CD1 4.48Å; F560-F578 HydrophobicContact CE2-CB 4.06Å; F560-F578 AromaticContact CE2-CD1 3.64Å; F560-F578 HydrophobicContact CE2-CD1 3.64Å; F560-F578 HydrophobicContact CE2-CG 4.35Å; F560-F578 HydrophobicContact CG-CD1 4.36Å; F560-F578 AromaticContact CZ-CD1 3.99Å; F560-F578 HydrophobicContact CZ-CD1 3.99Å; V562-F578 HydrophobicContact CG1-CE2 4.24Å; V562-F578 HydrophobicContact CG1-CZ 4.29Å; V562-F578 HydrophobicContact CG2-CE1 4.26Å; V562-F578 HydrophobicContact CG2-CZ 4.28Å; P574-F578 HydrophobicContact CB-CB 3.8Å; P574-F578 HydrophobicContact CB-CD2 4.41Å; P574-F578 HydrophobicContact CB-CG 4.19Å; P574-F578 HydrophobicContact CG-CB 3.88Å; P575-F578 HydrophobicContact CB-CD2 4.01Å; P575-F578 HydrophobicContact CB-CE2 4.39Å; P575-F578 HydrophobicContact CG-CD2 4.03Å; P575-F578 HydrophobicContact CG-CE2 4.09Å; P575-F578 WeakPolarHBondContact O-CB 3.49Å; P575-F578 PolarHBondContact O-N 3.23Å; A576-F578 PolarHBondContact O-N 3.43Å
579V94.3Very high88.1Confident0 Ų036 Ų360%022%0.222CC..G310 helixtrans-114.218-177.9-66.40000112.3M571 P574 A576 A577 L599 V612 R615M571-V579 HydrophobicContact SD-CG2 4.28Å; P574-V579 HydrophobicContact CG-CG1 3.65Å; A576-V579 WeakPolarHBondContact O-CG2 3.1Å; A576-V579 PolarHBondContact O-N 3.37Å; A576-V579 VanDerWaalsContact O-N 3.11Å; A577-V579 PolarHBondContact O-N 2.71Å; V579-L599 HydrophobicContact CG1-CD2 3.87Å; V579-V612 HydrophobicContact CB-CG1 4.08Å; V579-V612 HydrophobicContact CG1-CG1 4.06Å; V579-V612 HydrophobicContact CG2-CG1 4.28Å; V579-V612 HydrophobicContact CG2-CG2 4.24Å; V579-R615 PolarHBondContact O-NE 2.72Å
580E95.3Very high89.8Confident108 Ų10833.5 Ų33.551%0.50521%0.206SC..SBendtrans-72141.7166.4-71.7-176.4-170.800110.5A576 A577 A582 V583 L584A576-E580 PolarHBondContact O-N 3.1Å; A577-E580 PolarHBondContact O-N 3.13Å; E580-A582 PolarHBondContact O-N 3.13Å; E580-A582 VanDerWaalsContact O-N 3.12Å; E580-V583 PolarHBondContact O-N 3.15Å; E580-L584 WeakPolarHBondContact O-CG 3.14Å; E580-L584 PolarHBondContact O-N 2.9Å
581T96.4Very high91.8Very high67 Ų6731.9 Ų31.941%0.41119%0.189SC..Hα-helixtrans-54.8-37.2-176.5-49.70000112.6V583 L584 Q585 V619T581-V583 PolarHBondContact O-N 2.75Å; T581-L584 PolarHBondContact O-N 3.01Å; T581-Q585 WeakPolarHBondContact O-CB 3.22Å; T581-Q585 PolarHBondContact O-N 3.15Å; T581-V619 HydrophobicContact CG2-CG2 4.06Å
582A97Very high93Very high68 Ų6832.8 Ų32.856%0.56220%0.195SC*.Hα-helixtrans-63.5-39.6178.400000112.6E580 K586E580-A582 PolarHBondContact O-N 3.13Å; E580-A582 VanDerWaalsContact O-N 3.12Å; A582-K586 WeakPolarHBondContact O-CG 3.33Å; A582-K586 PolarHBondContact O-N 2.8Å
583V97.5Very high94Very high17 Ų1735.5 Ų35.510%0.10321%0.212CC..Hα-helixtrans-73.1-45.6177.2175.90000110.2L541 A577 E580 T581 Q585 K586 V587L541-V583 HydrophobicContact CD2-CG1 3.73Å; L541-V583 HydrophobicContact CD2-CG2 4.08Å; A577-V583 WeakPolarHBondContact O-CG2 3.2Å; E580-V583 PolarHBondContact O-N 3.15Å; T581-V583 PolarHBondContact O-N 2.75Å; V583-Q585 PolarHBondContact O-N 3.23Å; V583-K586 WeakPolarHBondContact O-CA 3.3Å; V583-K586 WeakPolarHBondContact O-CB 3.42Å; V583-K586 PolarHBondContact O-N 2.83Å; V583-V587 HydrophobicContact CG1-CG2 4.5Å; V583-V587 WeakPolarHBondContact O-CG2 3.27Å; V583-V587 PolarHBondContact O-N 3.25Å
584L98.1Very high94.5Very high0 Ų037.6 Ų37.60%022%0.219CC..Hα-helixtrans-57.1-38.7176.6-66.2173.5000111.8E580 T581 K586 V587 F588 F597 R615 V616 V619 F620E580-L584 WeakPolarHBondContact O-CG 3.14Å; E580-L584 PolarHBondContact O-N 2.9Å; T581-L584 PolarHBondContact O-N 3.01Å; L584-K586 VanDerWaalsContact C-N 3.35Å; L584-K586 PolarHBondContact O-N 3.37Å; L584-V587 WeakPolarHBondContact O-CB 3.36Å; L584-V587 PolarHBondContact O-N 3.22Å; L584-F588 WeakPolarHBondContact O-CB 3.49Å; L584-F588 PolarHBondContact O-N 3.46Å; L584-F597 HydrophobicContact CD2-CE1 3.9Å; L584-F597 HydrophobicContact CD2-CZ 4.4Å; L584-R615 HydrophobicContact CD1-CB 4.22Å; L584-V616 HydrophobicContact CD1-CG2 4.02Å; L584-V616 HydrophobicContact CD2-CG2 4.41Å; L584-V619 HydrophobicContact CB-CB 4.41Å; L584-V619 HydrophobicContact CB-CG1 4.4Å; L584-V619 HydrophobicContact CB-CG2 4Å; L584-F620 HydrophobicContact CD2-CE2 4.43Å
585Q97.5Very high94.8Very high81 Ų8137.6 Ų37.638%0.37922%0.219SC..Hα-helixtrans-64.8-37.7175.5-170.161.563.300112.4T581 V583 F588 N589T581-Q585 WeakPolarHBondContact O-CB 3.22Å; T581-Q585 PolarHBondContact O-N 3.15Å; V583-Q585 PolarHBondContact O-N 3.23Å; Q585-F588 WeakPolarHBondContact O-CB 3.5Å; Q585-F588 PolarHBondContact O-N 3.22Å; Q585-N589 PolarHBondContact NE2-OD1 3.25Å; Q585-N589 PolarHBondContact O-N 3.04Å; Q585-N589 PolarHBondContact O-ND2 2.89Å; Q585-N589 PolarHBondContact O-OD1 3.43Å
586K97.5Very high95.1Very high47 Ų4736.3 Ų36.320%0.20421%0.211CC..Hα-helixtrans-66.5-43.2174.8-69.5-178.4179.4-56.60111.6I544 E548 A582 V583 L584 F588 N589 L590I544-K586 HydrophobicContact CG2-CB 3.8Å; E548-K586 HydrophobicContact CG-CB 4.44Å; E548-K586 HydrophobicContact CG-CG 4.27Å; E548-K586 IonicContact OE1-NZ 3.07Å; E548-K586 PolarHBondContact OE1-NZ 2.74Å; E548-K586 VanDerWaalsContact OE1-NZ 3.09Å; E548-K586 IonicContact OE2-NZ 2.64Å; E548-K586 PolarHBondContact OE2-NZ 2.93Å; A582-K586 WeakPolarHBondContact O-CG 3.33Å; A582-K586 PolarHBondContact O-N 2.8Å; V583-K586 WeakPolarHBondContact O-CA 3.3Å; V583-K586 WeakPolarHBondContact O-CB 3.42Å; V583-K586 PolarHBondContact O-N 2.83Å; L584-K586 VanDerWaalsContact C-N 3.35Å; L584-K586 PolarHBondContact O-N 3.37Å; K586-F588 VanDerWaalsContact C-N 3.32Å; K586-F588 PolarHBondContact O-N 3.04Å; K586-N589 PolarHBondContact O-N 3.37Å; K586-L590 WeakPolarHBondContact O-CG 3.39Å; K586-L590 PolarHBondContact O-N 3.32Å
587V97.7Very high95.6Very high0 Ų033.6 Ų33.60%019%0.188CC..Hα-helixtrans-56.9-48.5173173.70000110I544 I558 F560 V583 L584 N589 L590 L591 F597 F620I544-V587 HydrophobicContact CD1-CG2 4.3Å; I544-V587 HydrophobicContact CG2-CG2 4.48Å; I558-V587 HydrophobicContact CB-CG1 4.14Å; I558-V587 HydrophobicContact CD1-CG1 3.86Å; I558-V587 HydrophobicContact CG2-CG1 4.04Å; F560-V587 HydrophobicContact CE1-CG2 4.37Å; F560-V587 HydrophobicContact CE2-CG2 4.29Å; F560-V587 HydrophobicContact CZ-CG2 3.6Å; V583-V587 HydrophobicContact CG1-CG2 4.5Å; V583-V587 WeakPolarHBondContact O-CG2 3.27Å; V583-V587 PolarHBondContact O-N 3.25Å; L584-V587 WeakPolarHBondContact O-CB 3.36Å; L584-V587 PolarHBondContact O-N 3.22Å; V587-N589 VanDerWaalsContact C-N 3.31Å; V587-N589 PolarHBondContact O-N 2.91Å; V587-L590 PolarHBondContact O-N 3.43Å; V587-L590 VanDerWaalsContact O-N 3.15Å; V587-L591 PolarHBondContact O-N 2.84Å; V587-F597 HydrophobicContact CG1-CB 4Å; V587-F597 HydrophobicContact CG1-CD2 3.65Å; V587-F597 HydrophobicContact CG1-CE2 4.23Å; V587-F597 HydrophobicContact CG1-CG 3.81Å; V587-F620 HydrophobicContact CG1-CZ 4.2Å
588F97.1Very high95.9Very high39 Ų3931.9 Ų31.917%0.17117%0.174CC..Hα-helixtrans-56.7-43.7176.5-177.6-84.6000112.5L584 Q585 K586 L590 L591 V619 F620 R640L584-F588 WeakPolarHBondContact O-CB 3.49Å; L584-F588 PolarHBondContact O-N 3.46Å; Q585-F588 WeakPolarHBondContact O-CB 3.5Å; Q585-F588 PolarHBondContact O-N 3.22Å; K586-F588 VanDerWaalsContact C-N 3.32Å; K586-F588 PolarHBondContact O-N 3.04Å; F588-L590 VanDerWaalsContact C-N 3.28Å; F588-L590 PolarHBondContact O-N 3.45Å; F588-L591 PolarHBondContact O-N 2.89Å; F588-V619 HydrophobicContact CB-CG1 3.71Å; F588-V619 HydrophobicContact CD2-CG1 4.08Å; F588-V619 HydrophobicContact CG-CG1 4.08Å; F588-F620 HydrophobicContact CB-CE1 4.23Å; F588-F620 HydrophobicContact CB-CZ 4.18Å; F588-F620 AromaticContact CD2-CD1 3.84Å; F588-F620 HydrophobicContact CD2-CD1 3.84Å; F588-F620 AromaticContact CD2-CE1 3.82Å; F588-F620 HydrophobicContact CD2-CE1 3.82Å; F588-F620 HydrophobicContact CD2-CZ 4.47Å; F588-F620 HydrophobicContact CE2-CD1 4.49Å; F588-R640 HydrophobicContact CD2-CG 4.3Å; F588-R640 HydrophobicContact CE1-CG 4.28Å; F588-R640 HydrophobicContact CE2-CB 4.32Å; F588-R640 HydrophobicContact CE2-CG 3.67Å; F588-R640 HydrophobicContact CZ-CG 3.66Å; F588-R640 PolarHBondContact O-NH1 3.28Å
589N96.2Very high96Very high66 Ų6631.3 Ų31.335%0.35317%0.171SC..Hα-helixtrans-65.9-30.2-179.8-66.9-13000112.8E548 L554 Q585 K586 V587 L591E548-N589 HydrophobicContact CG-CB 4.5Å; L554-N589 WeakPolarHBondContact CD2-O 3.22Å; Q585-N589 PolarHBondContact NE2-OD1 3.25Å; Q585-N589 PolarHBondContact O-N 3.04Å; Q585-N589 PolarHBondContact O-ND2 2.89Å; Q585-N589 PolarHBondContact O-OD1 3.43Å; K586-N589 PolarHBondContact O-N 3.37Å; V587-N589 VanDerWaalsContact C-N 3.31Å; V587-N589 PolarHBondContact O-N 2.91Å; N589-L591 VanDerWaalsContact C-N 3.35Å
590L97.4Very high96.1Very high5 Ų531.5 Ų31.53%0.02617%0.172CC..THydrogen-bonded Turntrans-82.4-5.5179.1-72.7173.2000114.2I544 L547 E548 L554 F555 I558 K586 V587 F588I544-L590 HydrophobicContact CG2-CD1 4.05Å; L547-L590 HydrophobicContact CB-CD1 4.07Å; L547-L590 HydrophobicContact CB-CD2 4Å; E548-L590 HydrophobicContact CB-CD1 4.34Å; E548-L590 HydrophobicContact CB-CD2 4.24Å; E548-L590 HydrophobicContact CB-CG 4.23Å; L554-L590 CarbonylContact C-O 3.27Å; L554-L590 VanDerWaalsContact CA-O 3.29Å; L554-L590 WeakPolarHBondContact CA-O 3.26Å; F555-L590 PolarHBondContact N-O 2.82Å; I558-L590 HydrophobicContact CD1-CB 3.75Å; K586-L590 WeakPolarHBondContact O-CG 3.39Å; K586-L590 PolarHBondContact O-N 3.32Å; V587-L590 PolarHBondContact O-N 3.43Å; V587-L590 VanDerWaalsContact O-N 3.15Å; F588-L590 VanDerWaalsContact C-N 3.28Å; F588-L590 PolarHBondContact O-N 3.45Å
591L97.3Very high95.9Very high0 Ų026.6 Ų26.60%015%0.149CC..EExtended strand (participates in β ladder)trans-82.3147.5177.3-70.2172.4000112.2F555 I558 V587 F588 N589 M596 F597 F620 R640F555-L591 CarbonylContact O-C 3.57Å; F555-L591 VanDerWaalsContact O-CA 3.31Å; F555-L591 WeakPolarHBondContact O-CA 3.44Å; I558-L591 HydrophobicContact CB-CD2 4.22Å; I558-L591 HydrophobicContact CD1-CD2 3.83Å; I558-L591 HydrophobicContact CD1-CG 4.14Å; I558-L591 HydrophobicContact CG1-CD2 3.73Å; V587-L591 PolarHBondContact O-N 2.84Å; F588-L591 PolarHBondContact O-N 2.89Å; N589-L591 VanDerWaalsContact C-N 3.35Å; L591-M596 VanDerWaalsContact CD2-O 3.31Å; L591-M596 WeakPolarHBondContact CD2-O 3.4Å; L591-F597 HydrophobicContact CD1-CB 4.21Å; L591-F620 HydrophobicContact CD1-CE1 3.78Å; L591-R640 HydrophobicContact CD1-CB 4.46Å; L591-R640 PolarHBondContact O-NH1 2.77Å
592T94.8Very high95.6Very high22 Ų2224.2 Ų24.214%0.13514%0.135CC..EExtended strand (participates in β ladder)trans-64.9164.3164.165.50000110.4L554 F555 D556 R594 G595 R640L554-T592 HydrophobicContact CB-CG2 3.8Å; F555-T592 PolarHBondContact O-N 3.4Å; D556-T592 WeakPolarHBondContact OD1-CG2 3.39Å; D556-T592 PolarHBondContact OD1-OG1 2.67Å; T592-R594 VanDerWaalsContact C-N 3.26Å; T592-R594 PolarHBondContact O-N 3.4Å; T592-R594 WeakPolarHBondContact OG1-CG 3.41Å; T592-G595 WeakPolarHBondContact O-CA 3.37Å; T592-G595 PolarHBondContact O-N 3.4Å; T592-G595 PolarHBondContact OG1-N 3.1Å; T592-R640 WeakPolarHBondContact O-CD 3.41Å
593P90.8Very high95Very high83 Ų8321.7 Ų21.754%0.53911%0.113SC..EExtended strand (participates in β ladder)trans-53.4-41.3176.8-29.436.9000113.6G595 E641P593-G595 VanDerWaalsContact C-N 3.25Å; P593-G595 PolarHBondContact O-N 3.19Å; P593-E641 WeakPolarHBondContact O-CG 3.4Å
594R89.1Confident94.2Very high51 Ų5129.5 Ų29.519%0.19214%0.141CC..EExtended strand (participates in β ladder)trans-79.8-4.1174.663.4178.1-91.7-170.9-16.4114.1L471 N478 T592L471-R594 WeakPolarHBondContact CD2-O 3.38Å; L471-R594 PolarHBondContact O-NH2 2.58Å; N478-R594 PolarHBondContact ND2-NH1 3.06Å; N478-R594 PolarHBondContact OD1-NH1 3.41Å; N478-R594 VanDerWaalsContact OD1-NH1 3.07Å; T592-R594 VanDerWaalsContact C-N 3.26Å; T592-R594 PolarHBondContact O-N 3.4Å; T592-R594 WeakPolarHBondContact OG1-CG 3.41Å
595G93Very high93.5Very high0 Ų032.7 Ų32.70%016%0.158CC..EExtended strand (participates in β ladder)trans-72.3162.9-166.500000113.7D556 T592 P593 R640D556-G595 CarbonylContact O-C 3.55Å; D556-G595 WeakPolarHBondContact O-CA 3.48Å; T592-G595 WeakPolarHBondContact O-CA 3.37Å; T592-G595 PolarHBondContact O-N 3.4Å; T592-G595 PolarHBondContact OG1-N 3.1Å; P593-G595 VanDerWaalsContact C-N 3.25Å; P593-G595 PolarHBondContact O-N 3.19Å; G595-R640 WeakPolarHBondContact O-CB 3.25Å; G595-R640 PolarHBondContact O-N 2.9Å; G595-R640 VanDerWaalsContact O-N 3.17Å
596M95.6Very high92.9Very high3 Ų333.7 Ų33.72%0.01517%0.171CC..EExtended strand (participates in β ladder)trans-141148.718070.1-171.8-46.600113G467 M470 L471 D556 V557 I558 L591 I598 L637 C638G467-M596 VanDerWaalsContact O-SD 3.35Å; M470-M596 HydrophobicContact CB-CE 3.57Å; M470-M596 HydrophobicContact CB-SD 3.92Å; M470-M596 HydrophobicContact CE-CE 4.36Å; M470-M596 HydrophobicContact CG-CE 3.97Å; M470-M596 HydrophobicContact SD-CE 3.5Å; M470-M596 VanDerWaalsContact SD-CE 3.5Å; L471-M596 HydrophobicContact CD2-CB 4.5Å; L471-M596 HydrophobicContact CD2-CG 4.02Å; L471-M596 HydrophobicContact CD2-SD 4.12Å; L471-M596 HydrophobicContact CG-CG 4.35Å; L471-M596 HydrophobicContact CG-SD 3.94Å; D556-M596 PolarHBondContact O-N 3.03Å; V557-M596 WeakPolarHBondContact CA-O 3.36Å; V557-M596 HydrophobicContact CG1-CG 4.28Å; V557-M596 HydrophobicContact CG2-CG 4.33Å; I558-M596 PolarHBondContact N-O 2.78Å; L591-M596 VanDerWaalsContact CD2-O 3.31Å; L591-M596 WeakPolarHBondContact CD2-O 3.4Å; M596-I598 HydrophobicContact CE-CD1 4.36Å; M596-I598 HydrophobicContact CE-CG1 4.28Å; M596-I598 HydrophobicContact CG-CD1 4.45Å; M596-I598 HydrophobicContact CG-CG1 4.29Å; M596-I598 HydrophobicContact SD-CD1 4.22Å; M596-L637 HydrophobicContact CE-CB 4.06Å; M596-C638 CarbonylContact C-O 3.57Å; M596-C638 VanDerWaalsContact CA-O 3.25Å; M596-C638 WeakPolarHBondContact CA-O 3.32Å; M596-C638 WeakPolarHBondContact CB-O 3.37Å
597F98.1Very high92.5Very high0 Ų035.9 Ų35.90%019%0.188CC..EExtended strand (participates in β ladder)trans-101.2132.6170.5169.5-124.6000109.7I558 F560 L584 V587 L591 L599 F620 C638I558-F597 HydrophobicContact CB-CD2 4.31Å; I558-F597 HydrophobicContact CG2-CD2 4.23Å; I558-F597 CarbonylContact O-C 3.49Å; I558-F597 WeakPolarHBondContact O-CA 3.29Å; I558-F597 WeakPolarHBondContact O-CD2 3.46Å; F560-F597 HydrophobicContact CB-CE2 4.19Å; F560-F597 HydrophobicContact CB-CZ 4.48Å; F560-F597 AromaticContact CD1-CE2 4Å; F560-F597 HydrophobicContact CD1-CE2 4Å; F560-F597 AromaticContact CD2-CE2 3.62Å; F560-F597 HydrophobicContact CD2-CE2 3.62Å; F560-F597 AromaticContact CD2-CZ 3.57Å; F560-F597 HydrophobicContact CD2-CZ 3.57Å; F560-F597 HydrophobicContact CE1-CE2 4.22Å; F560-F597 AromaticContact CE2-CE2 3.86Å; F560-F597 HydrophobicContact CE2-CE2 3.86Å; F560-F597 AromaticContact CE2-CZ 3.85Å; F560-F597 HydrophobicContact CE2-CZ 3.85Å; F560-F597 AromaticContact CG-CE2 3.67Å; F560-F597 HydrophobicContact CG-CE2 3.67Å; F560-F597 HydrophobicContact CG-CZ 4.05Å; F560-F597 HydrophobicContact CZ-CE2 4.15Å; L584-F597 HydrophobicContact CD2-CE1 3.9Å; L584-F597 HydrophobicContact CD2-CZ 4.4Å; V587-F597 HydrophobicContact CG1-CB 4Å; V587-F597 HydrophobicContact CG1-CD2 3.65Å; V587-F597 HydrophobicContact CG1-CE2 4.23Å; V587-F597 HydrophobicContact CG1-CG 3.81Å; L591-F597 HydrophobicContact CD1-CB 4.21Å; F597-L599 HydrophobicContact CE1-CB 3.9Å; F597-L599 HydrophobicContact CE1-CD2 4.35Å; F597-L599 HydrophobicContact CE2-CB 4.47Å; F597-L599 HydrophobicContact CZ-CB 3.77Å; F597-L599 HydrophobicContact CZ-CD1 4.1Å; F597-L599 HydrophobicContact CZ-CD2 4.4Å; F597-L599 HydrophobicContact CZ-CG 4.31Å; F597-F620 HydrophobicContact CB-CE1 3.73Å; F597-F620 HydrophobicContact CB-CE2 4.44Å; F597-F620 HydrophobicContact CB-CZ 3.64Å; F597-F620 AromaticContact CD1-CE2 3.76Å; F597-F620 HydrophobicContact CD1-CE2 3.76Å; F597-F620 AromaticContact CD1-CZ 3.77Å; F597-F620 HydrophobicContact CD1-CZ 3.77Å; F597-F620 HydrophobicContact CE1-CE2 4.49Å; F597-F620 HydrophobicContact CG-CE2 4.44Å; F597-F620 AromaticContact CG-CZ 3.98Å; F597-F620 HydrophobicContact CG-CZ 3.98Å; F597-C638 HydrophobicContact CB-CB 4.12Å; F597-C638 HydrophobicContact CD1-CB 4.1Å; F597-C638 PolarHBondContact N-O 3.1Å; F597-C638 WeakPolarHBondContact O-CB 3.31Å; F597-C638 PolarHBondContact O-N 3.46Å
598I98.1Very high92Very high0 Ų038 Ų380%020%0.199CC..EExtended strand (participates in β ladder)trans-120.4124.6178.7-59.8-178.3000108.7M464 L468 V557 I558 M559 F560 M596 V635 L636 L637M464-I598 HydrophobicContact CB-CG2 4.02Å; M464-I598 HydrophobicContact CE-CG2 4.08Å; M464-I598 HydrophobicContact CG-CG2 3.67Å; M464-I598 WeakPolarHBondContact O-CD1 3.49Å; L468-I598 HydrophobicContact CD1-CD1 4.22Å; V557-I598 HydrophobicContact CG1-CD1 3.88Å; V557-I598 HydrophobicContact CG1-CG1 4.14Å; I558-I598 PolarHBondContact O-N 3.02Å; M559-I598 CarbonylContact C-O 3.51Å; M559-I598 VanDerWaalsContact CA-O 3.32Å; M559-I598 WeakPolarHBondContact CA-O 3.41Å; M559-I598 HydrophobicContact CE-CD1 4.19Å; M559-I598 HydrophobicContact CG-CB 4.21Å; F560-I598 PolarHBondContact N-O 2.79Å; M596-I598 HydrophobicContact CE-CD1 4.36Å; M596-I598 HydrophobicContact CE-CG1 4.28Å; M596-I598 HydrophobicContact CG-CD1 4.45Å; M596-I598 HydrophobicContact CG-CG1 4.29Å; M596-I598 HydrophobicContact SD-CD1 4.22Å; I598-V635 HydrophobicContact CG2-CG1 3.84Å; I598-L636 WeakPolarHBondContact CA-O 3.32Å; I598-L637 HydrophobicContact CB-CD2 4.41Å; I598-L637 HydrophobicContact CD1-CD2 3.99Å; I598-L637 HydrophobicContact CG1-CD2 3.84Å; I598-L637 HydrophobicContact CG2-CD2 3.92Å
599L97.4Very high91.8Very high0 Ų038.5 Ų38.50%020%0.2CC..EExtended strand (participates in β ladder)trans-121.6123.3-177177.761.1000110.6F560 P574 V579 F597 V635 L636F560-L599 HydrophobicContact CB-CD1 3.7Å; F560-L599 HydrophobicContact CD2-CD1 4.15Å; F560-L599 HydrophobicContact CG-CD1 4.44Å; P574-L599 HydrophobicContact CG-CD1 3.89Å; V579-L599 HydrophobicContact CG1-CD2 3.87Å; F597-L599 HydrophobicContact CE1-CB 3.9Å; F597-L599 HydrophobicContact CE1-CD2 4.35Å; F597-L599 HydrophobicContact CE2-CB 4.47Å; F597-L599 HydrophobicContact CZ-CB 3.77Å; F597-L599 HydrophobicContact CZ-CD1 4.1Å; F597-L599 HydrophobicContact CZ-CD2 4.4Å; F597-L599 HydrophobicContact CZ-CG 4.31Å; L599-V635 CarbonylContact O-C 3.55Å; L599-V635 WeakPolarHBondContact O-CA 3.18Å; L599-L636 HydrophobicContact CB-CB 4.27Å; L599-L636 HydrophobicContact CD2-CD1 4.23Å; L599-L636 PolarHBondContact N-O 2.81Å; L599-L636 PolarHBondContact O-N 2.88Å
600N95.4Very high91.6Very high5 Ų541 Ų413%0.02721%0.208CC..EExtended strand (participates in β ladder)trans-78.1117.4161-173.413.3000108.9H460 M464 F560 D561 C573 N633H460-N600 PolarHBondContact CD2-ND2 3.34Å; H460-N600 VanDerWaalsContact CD2-ND2 3.3Å; H460-N600 PolarHBondContact NE2-ND2 3.33Å; M464-N600 HydrophobicContact SD-CB 4.37Å; F560-N600 PolarHBondContact O-N 2.8Å; F560-N600 VanDerWaalsContact O-N 3.11Å; D561-N600 PolarHBondContact OD1-ND2 3.3Å; C573-N600 PolarHBondContact SG-O 2.84Å; C573-N600 VanDerWaalsContact SG-O 3.33Å; N600-N633 PolarHBondContact ND2-ND2 3.37Å; N600-N633 PolarHBondContact OD1-ND2 3.02Å
601L92.9Very high91.4Very high4 Ų443.8 Ų43.82%0.02122%0.222CC..EExtended strand (participates in β ladder)trans-115.7119.2-179.1-178.466000110.6M571 C573 C603 R609 V612 E634 L636M571-L601 HydrophobicContact CE-CD1 4.38Å; C573-L601 CarbonylContact O-C 3.57Å; C573-L601 WeakPolarHBondContact O-CA 3.36Å; L601-C603 HydrophobicContact CD1-CB 4.16Å; L601-C603 HydrophobicContact CG-CB 4.32Å; L601-R609 HydrophobicContact CD2-CG 4.32Å; L601-V612 HydrophobicContact CD1-CG1 4.24Å; L601-V612 HydrophobicContact CD2-CG1 4.45Å; L601-E634 WeakPolarHBondContact CA-O 3.31Å; L601-E634 WeakPolarHBondContact CB-O 3.45Å; L601-E634 PolarHBondContact N-O 3.35Å; L601-E634 PolarHBondContact O-N 3.47Å; L601-L636 HydrophobicContact CD2-CD1 4.27Å
602V88.6Confident91.2Very high17 Ų1743.8 Ų43.810%0.10322%0.222CC..EExtended strand (participates in β ladder)trans-119.595.4171.1-176.90000108.1S572 C573 I632 N633S572-V602 PolarHBondContact N-O 3.35Å; C573-V602 HydrophobicContact CB-CB 3.82Å; C573-V602 HydrophobicContact CB-CG2 3.83Å; C573-V602 PolarHBondContact N-O 2.9Å; C573-V602 PolarHBondContact O-N 3.28Å; V602-I632 HydrophobicContact CG1-CB 4.2Å; V602-I632 HydrophobicContact CG1-CG2 3.8Å; V602-N633 HydrophobicContact CG2-CB 4.32Å; V602-N633 WeakPolarHBondContact CG2-ND2 3.28Å
603C85.4Confident91.2Very high15 Ų1543.3 Ų43.310%0.10122%0.219CC..EExtended strand (participates in β ladder)trans-132.1114-180-171.80000110.2M571 L601 D605 R609M571-C603 HydrophobicContact CE-CB 4.42Å; M571-C603 HydrophobicContact CG-CB 4.45Å; L601-C603 HydrophobicContact CD1-CB 4.16Å; L601-C603 HydrophobicContact CG-CB 4.32Å; C603-D605 PolarHBondContact SG-O 3.21Å; C603-R609 HydrophobicContact CB-CB 4.13Å; C603-R609 PolarHBondContact SG-N 3.34Å; C603-R609 VanDerWaalsContact SG-N 3.45Å
604R81.4Confident91.5Very high182 Ų18244.1 Ų44.169%0.68722%0.216SC*.  trans-84-25.1-179.3-64.8-178.6-175.4-173.7-0.6112.2G570 P606 I632G570-R604 PolarHBondContact O-N 3.21Å; R604-P606 WeakPolarHBondContact O-CD 3.27Å; R604-I632 HydrophobicContact CG-CG2 4.09Å
605D82.5Confident91.8Very high67 Ų6745.1 Ų45.136%0.35822%0.219SC..  trans-78.3116.9175.7-175.9-30.9000110C603 V607 L608 R609C603-D605 PolarHBondContact SG-O 3.21Å; D605-V607 VanDerWaalsContact C-N 3.32Å; D605-V607 PolarHBondContact O-N 3.25Å; D605-V607 WeakPolarHBondContact OD1-CA 3.48Å; D605-V607 WeakPolarHBondContact OD1-CB 3.27Å; D605-V607 PolarHBondContact OD1-N 2.7Å; D605-L608 HydrophobicContact CB-CB 3.86Å; D605-L608 PolarHBondContact OD1-N 3.01Å; D605-L608 VanDerWaalsContact OD1-N 3.15Å; D605-R609 VanDerWaalsContact O-CB 3.32Å; D605-R609 WeakPolarHBondContact O-CB 3.46Å; D605-R609 PolarHBondContact O-N 3.35Å
606P85.8Confident92Very high101 Ų10145.1 Ų45.166%0.65622%0.219SC*.Hα-helixtrans-68.3-28.9-17828.3-34.8000113.3R604 K610R604-P606 WeakPolarHBondContact O-CD 3.27Å; P606-K610 WeakPolarHBondContact O-CB 3.08Å; P606-K610 PolarHBondContact O-N 2.83Å; P606-K610 VanDerWaalsContact O-N 3.17Å
607V88.8Confident92Very high93 Ų9348.4 Ų48.456%0.56423%0.234SC*.Hα-helixtrans-72-51.7177.6-179.90000108.8D605 R609 K610 D611D605-V607 VanDerWaalsContact C-N 3.32Å; D605-V607 PolarHBondContact O-N 3.25Å; D605-V607 WeakPolarHBondContact OD1-CA 3.48Å; D605-V607 WeakPolarHBondContact OD1-CB 3.27Å; D605-V607 PolarHBondContact OD1-N 2.7Å; V607-R609 VanDerWaalsContact C-N 3.29Å; V607-R609 PolarHBondContact O-N 3.11Å; V607-K610 WeakPolarHBondContact O-CB 3.28Å; V607-K610 PolarHBondContact O-N 3.38Å; V607-D611 PolarHBondContact O-N 2.98Å
608L87.5Confident91.9Very high44 Ų4452.5 Ų52.523%0.2326%0.262CS..Hα-helixtrans-60.5-40.1178.4-176.460.9000111.9M571 D605 K610 D611 V612M571-L608 HydrophobicContact CB-CD2 3.7Å; M571-L608 HydrophobicContact CE-CD1 4.2Å; M571-L608 HydrophobicContact CE-CD2 3.81Å; M571-L608 HydrophobicContact CE-CG 3.67Å; D605-L608 HydrophobicContact CB-CB 3.86Å; D605-L608 PolarHBondContact OD1-N 3.01Å; D605-L608 VanDerWaalsContact OD1-N 3.15Å; L608-K610 VanDerWaalsContact C-N 3.3Å; L608-K610 PolarHBondContact O-N 3.14Å; L608-D611 PolarHBondContact O-N 3.26Å; L608-V612 WeakPolarHBondContact O-CG2 3.42Å; L608-V612 PolarHBondContact O-N 3.4Å
609R90.9Very high91.9Very high50 Ų5053.2 Ų53.219%0.18927%0.266CS..Hα-helixtrans-57.4-45.1173.8179.6-171.6168.5-80.1-3.9111.1L601 C603 D605 V607 V612 L613 E634 E688L601-R609 HydrophobicContact CD2-CG 4.32Å; C603-R609 HydrophobicContact CB-CB 4.13Å; C603-R609 PolarHBondContact SG-N 3.34Å; C603-R609 VanDerWaalsContact SG-N 3.45Å; D605-R609 VanDerWaalsContact O-CB 3.32Å; D605-R609 WeakPolarHBondContact O-CB 3.46Å; D605-R609 PolarHBondContact O-N 3.35Å; V607-R609 VanDerWaalsContact C-N 3.29Å; V607-R609 PolarHBondContact O-N 3.11Å; R609-V612 PolarHBondContact O-N 3.02Å; R609-L613 PolarHBondContact O-N 2.61Å; R609-L613 VanDerWaalsContact O-N 3.08Å; R609-E634 IonicContact CZ-OE1 3.72Å; R609-E634 IonicContact CZ-OE2 2.72Å; R609-E634 IonicContact NE-OE1 2.7Å; R609-E634 IonicContact NE-OE2 2.68Å; R609-E634 PolarHBondContact NE-OE2 3.4Å; R609-E634 IonicContact NH2-OE1 3.65Å; R609-E634 PolarHBondContact NH2-OE1 3.31Å; R609-E634 IonicContact NH2-OE2 3.75Å; R609-E634 PolarHBondContact NH2-OE2 3.27Å; R609-E688 IonicContact NH2-OE1 2.75Å
610K92.2Very high91.8Very high120 Ų12053.3 Ų53.352%0.52227%0.267SS..Hα-helixtrans-63.2-45.4179.7-170.5-171.7177.7-143.60110.9P606 V607 L608 V612 L613 E614P606-K610 WeakPolarHBondContact O-CB 3.08Å; P606-K610 PolarHBondContact O-N 2.83Å; P606-K610 VanDerWaalsContact O-N 3.17Å; V607-K610 WeakPolarHBondContact O-CB 3.28Å; V607-K610 PolarHBondContact O-N 3.38Å; L608-K610 VanDerWaalsContact C-N 3.3Å; L608-K610 PolarHBondContact O-N 3.14Å; K610-V612 VanDerWaalsContact C-N 3.31Å; K610-V612 PolarHBondContact O-N 3.47Å; K610-L613 PolarHBondContact O-N 3.3Å; K610-E614 WeakPolarHBondContact CE-OE1 3.44Å; K610-E614 IonicContact NZ-OE1 3.41Å; K610-E614 PolarHBondContact NZ-OE1 3.5Å; K610-E614 WeakPolarHBondContact O-CG 3.43Å; K610-E614 PolarHBondContact O-N 3.49Å
611D93.2Very high91.7Very high62 Ų6256.2 Ų56.233%0.33229%0.286SS..Hα-helixtrans-61.3-39.8179.3-64.9-11.6000112.2V607 L608 E614 R615V607-D611 PolarHBondContact O-N 2.98Å; L608-D611 PolarHBondContact O-N 3.26Å; D611-E614 PolarHBondContact O-N 3.45Å; D611-R615 WeakPolarHBondContact O-CG 3.14Å; D611-R615 PolarHBondContact O-N 3.21Å
612V94Very high91.7Very high0 Ų056.3 Ų56.30%029%0.287CS..Hα-helixtrans-63.9-46.3176.1175.40000110.6M571 V579 L601 L608 R609 K610 E614 R615 V616M571-V612 HydrophobicContact CE-CB 4.42Å; M571-V612 HydrophobicContact CE-CG2 3.15Å; V579-V612 HydrophobicContact CB-CG1 4.08Å; V579-V612 HydrophobicContact CG1-CG1 4.06Å; V579-V612 HydrophobicContact CG2-CG1 4.28Å; V579-V612 HydrophobicContact CG2-CG2 4.24Å; L601-V612 HydrophobicContact CD1-CG1 4.24Å; L601-V612 HydrophobicContact CD2-CG1 4.45Å; L608-V612 WeakPolarHBondContact O-CG2 3.42Å; L608-V612 PolarHBondContact O-N 3.4Å; R609-V612 PolarHBondContact O-N 3.02Å; K610-V612 VanDerWaalsContact C-N 3.31Å; K610-V612 PolarHBondContact O-N 3.47Å; V612-E614 VanDerWaalsContact C-N 3.32Å; V612-E614 PolarHBondContact O-N 2.91Å; V612-R615 PolarHBondContact O-N 3.24Å; V612-V616 HydrophobicContact CG1-CG2 4.41Å; V612-V616 WeakPolarHBondContact O-CG2 3.39Å; V612-V616 PolarHBondContact O-N 3.34Å
613L95.1Very high92.1Very high13 Ų1355.7 Ų55.77%0.06828%0.283CS..Hα-helixtrans-62.2-41179.1-176.665000111.5R609 K610 V616 K617 V623 L636 E688R609-L613 PolarHBondContact O-N 2.61Å; R609-L613 VanDerWaalsContact O-N 3.08Å; K610-L613 PolarHBondContact O-N 3.3Å; L613-V616 PolarHBondContact O-N 2.7Å; L613-K617 HydrophobicContact CG-CD 4.25Å; L613-K617 WeakPolarHBondContact O-CB 3.41Å; L613-K617 VanDerWaalsContact O-CG 3.27Å; L613-K617 WeakPolarHBondContact O-CG 3.41Å; L613-K617 PolarHBondContact O-N 2.76Å; L613-V623 HydrophobicContact CD1-CG1 4.22Å; L613-L636 HydrophobicContact CD1-CD1 4.32Å; L613-L636 HydrophobicContact CD1-CD2 4.49Å; L613-E688 HydrophobicContact CD1-CB 4.05Å; L613-E688 HydrophobicContact CD1-CG 4.08Å; L613-E688 HydrophobicContact CD2-CB 4.33Å; L613-E688 HydrophobicContact CD2-CG 4.3Å; L613-E688 VanDerWaalsContact CD2-OE2 3.26Å; L613-E688 WeakPolarHBondContact CD2-OE2 3.38Å
614E95.8Very high92.5Very high100 Ų10055 Ų5547%0.46728%0.279SS..Hα-helixtrans-62.3-41.4174-72.6178.6-174.800111.7K610 D611 V612 K617 S618K610-E614 WeakPolarHBondContact CE-OE1 3.44Å; K610-E614 IonicContact NZ-OE1 3.41Å; K610-E614 PolarHBondContact NZ-OE1 3.5Å; K610-E614 WeakPolarHBondContact O-CG 3.43Å; K610-E614 PolarHBondContact O-N 3.49Å; D611-E614 PolarHBondContact O-N 3.45Å; V612-E614 VanDerWaalsContact C-N 3.32Å; V612-E614 PolarHBondContact O-N 2.91Å; E614-K617 PolarHBondContact O-N 3.35Å; E614-S618 PolarHBondContact O-N 3.18Å
615R96.2Very high93.1Very high71 Ų7146.5 Ų46.527%0.26825%0.247SC..Hα-helixtrans-62.3-47.7174.2-75.7-169.3-67.2-902.5112V579 L584 D611 V612 K617 S618V579-R615 PolarHBondContact O-NE 2.72Å; L584-R615 HydrophobicContact CD1-CB 4.22Å; D611-R615 WeakPolarHBondContact O-CG 3.14Å; D611-R615 PolarHBondContact O-N 3.21Å; V612-R615 PolarHBondContact O-N 3.24Å; R615-K617 PolarHBondContact O-N 2.62Å; R615-S618 PolarHBondContact O-N 2.97Å; R615-S618 VanDerWaalsContact O-N 3.15Å; R615-S618 PolarHBondContact O-OG 2.92Å
616V97Very high93.6Very high0 Ų045.3 Ų45.30%024%0.237CC..Hα-helixtrans-59.9-45.6178.3174.10000110.8L584 V612 L613 S618 V619 F620 V623 C638L584-V616 HydrophobicContact CD1-CG2 4.02Å; L584-V616 HydrophobicContact CD2-CG2 4.41Å; V612-V616 HydrophobicContact CG1-CG2 4.41Å; V612-V616 WeakPolarHBondContact O-CG2 3.39Å; V612-V616 PolarHBondContact O-N 3.34Å; L613-V616 PolarHBondContact O-N 2.7Å; V616-S618 VanDerWaalsContact C-N 3.26Å; V616-S618 PolarHBondContact O-N 3.42Å; V616-V619 PolarHBondContact O-N 3.16Å; V616-V619 VanDerWaalsContact O-N 3.12Å; V616-F620 HydrophobicContact CG1-CD2 4.01Å; V616-F620 PolarHBondContact O-N 3.14Å; V616-V623 HydrophobicContact CG1-CG1 4.4Å; V616-V623 HydrophobicContact CG1-CG2 3.94Å; V616-C638 HydrophobicContact CG1-CB 4.5Å; V616-C638 WeakPolarHBondContact CG1-SG 3.37Å
617K96Very high93.9Very high73 Ų7346.1 Ų46.132%0.31723%0.23SC..Hα-helixtrans-63.9-26.7176.8-74.2175179.9-179.20114.3L613 E614 R615 V619 V623 E688L613-K617 HydrophobicContact CG-CD 4.25Å; L613-K617 WeakPolarHBondContact O-CB 3.41Å; L613-K617 VanDerWaalsContact O-CG 3.27Å; L613-K617 WeakPolarHBondContact O-CG 3.41Å; L613-K617 PolarHBondContact O-N 2.76Å; E614-K617 PolarHBondContact O-N 3.35Å; R615-K617 PolarHBondContact O-N 2.62Å; K617-V619 PolarHBondContact O-N 3.31Å; K617-V623 HydrophobicContact CG-CG2 4.1Å; K617-E688 WeakPolarHBondContact CE-O 3.43Å; K617-E688 WeakPolarHBondContact CE-OXT 3.25Å; K617-E688 PolarHBondContact NZ-O 3.49Å; K617-E688 PolarHBondContact NZ-OXT 3.23Å
618S96.3Very high93.8Very high85 Ų8542.5 Ų42.559%0.59421%0.208SC*.Hα-helixtrans-72.7-17.2176.870.50000113.2E614 R615 V616E614-S618 PolarHBondContact O-N 3.18Å; R615-S618 PolarHBondContact O-N 2.97Å; R615-S618 VanDerWaalsContact O-N 3.15Å; R615-S618 PolarHBondContact O-OG 2.92Å; V616-S618 VanDerWaalsContact C-N 3.26Å; V616-S618 PolarHBondContact O-N 3.42Å
619V97.4Very high93.2Very high15 Ų1544.4 Ų44.49%0.09123%0.23CC..Hα-helixtrans-106.5-41.5179.2-179.40000112T581 L584 F588 V616 K617T581-V619 HydrophobicContact CG2-CG2 4.06Å; L584-V619 HydrophobicContact CB-CB 4.41Å; L584-V619 HydrophobicContact CB-CG1 4.4Å; L584-V619 HydrophobicContact CB-CG2 4Å; F588-V619 HydrophobicContact CB-CG1 3.71Å; F588-V619 HydrophobicContact CD2-CG1 4.08Å; F588-V619 HydrophobicContact CG-CG1 4.08Å; V616-V619 PolarHBondContact O-N 3.16Å; V616-V619 VanDerWaalsContact O-N 3.12Å; K617-V619 PolarHBondContact O-N 3.31Å
620F96.5Very high92.1Very high3 Ų351.5 Ų51.51%0.01327%0.265CS..  trans-104.5123.1-175.8-64.7-87000111.5L584 V587 F588 L591 F597 V616 T622 V623 C638L584-F620 HydrophobicContact CD2-CE2 4.43Å; V587-F620 HydrophobicContact CG1-CZ 4.2Å; F588-F620 HydrophobicContact CB-CE1 4.23Å; F588-F620 HydrophobicContact CB-CZ 4.18Å; F588-F620 AromaticContact CD2-CD1 3.84Å; F588-F620 HydrophobicContact CD2-CD1 3.84Å; F588-F620 AromaticContact CD2-CE1 3.82Å; F588-F620 HydrophobicContact CD2-CE1 3.82Å; F588-F620 HydrophobicContact CD2-CZ 4.47Å; F588-F620 HydrophobicContact CE2-CD1 4.49Å; L591-F620 HydrophobicContact CD1-CE1 3.78Å; F597-F620 HydrophobicContact CB-CE1 3.73Å; F597-F620 HydrophobicContact CB-CE2 4.44Å; F597-F620 HydrophobicContact CB-CZ 3.64Å; F597-F620 AromaticContact CD1-CE2 3.76Å; F597-F620 HydrophobicContact CD1-CE2 3.76Å; F597-F620 AromaticContact CD1-CZ 3.77Å; F597-F620 HydrophobicContact CD1-CZ 3.77Å; F597-F620 HydrophobicContact CE1-CE2 4.49Å; F597-F620 HydrophobicContact CG-CE2 4.44Å; F597-F620 AromaticContact CG-CZ 3.98Å; F597-F620 HydrophobicContact CG-CZ 3.98Å; V616-F620 HydrophobicContact CG1-CD2 4.01Å; V616-F620 PolarHBondContact O-N 3.14Å; F620-T622 VanDerWaalsContact C-N 3.27Å; F620-T622 PolarHBondContact O-N 2.86Å; F620-V623 HydrophobicContact CB-CG2 4.13Å; F620-C638 HydrophobicContact CB-CB 3.91Å; F620-C638 HydrophobicContact CD1-CB 3.75Å; F620-C638 HydrophobicContact CD2-CB 3.99Å; F620-C638 HydrophobicContact CE1-CB 4.26Å; F620-C638 HydrophobicContact CE2-CB 4.48Å; F620-C638 HydrophobicContact CG-CB 3.61Å
621P92.6Very high91.3Very high65 Ų6549.3 Ų49.342%0.42226%0.257SS..SBendtrans-70.3-18.6-175.227.3-36.6000114.3S639 R640 E642P621-S639 WeakPolarHBondContact CD-O 3.3Å; P621-R640 WeakPolarHBondContact CG-O 3.48Å; P621-E642 HydrophobicContact CB-CB 4.02Å; P621-E642 HydrophobicContact CB-CG 4.47Å; P621-E642 HydrophobicContact CG-CB 4.41Å
622T93.6Very high90.7Very high7 Ų750.4 Ų50.44%0.04326%0.262CS..EExtended strand (participates in β ladder)trans-138.9119.8177.6-62.50000109.7F620 C638 S639 K643 I648 L687F620-T622 VanDerWaalsContact C-N 3.27Å; F620-T622 PolarHBondContact O-N 2.86Å; T622-C638 WeakPolarHBondContact O-CA 3.47Å; T622-S639 PolarHBondContact O-N 3.47Å; T622-K643 HydrophobicContact CG2-CB 4.31Å; T622-K643 PolarHBondContact OG1-N 2.98Å; T622-I648 HydrophobicContact CG2-CD1 3.73Å; T622-L687 HydrophobicContact CG2-CD1 4.17Å
623V95.2Very high90.4Very high4 Ų451.6 Ų51.62%0.02427%0.268CS..EExtended strand (participates in β ladder)trans-124.9121.9-179.9-177.10000108.9L613 V616 K617 F620 L637 E688L613-V623 HydrophobicContact CD1-CG1 4.22Å; V616-V623 HydrophobicContact CG1-CG1 4.4Å; V616-V623 HydrophobicContact CG1-CG2 3.94Å; K617-V623 HydrophobicContact CG-CG2 4.1Å; F620-V623 HydrophobicContact CB-CG2 4.13Å; V623-L637 WeakPolarHBondContact CA-O 3.5Å; V623-E688 HydrophobicContact CB-CB 4.45Å; V623-E688 HydrophobicContact CG1-CB 4.36Å; V623-E688 PolarHBondContact O-N 2.84Å
624L94.4Very high90.3Very high1 Ų151.4 Ų51.41%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-106.1146168.3-56.4175.5000109.5M470 L636 L637 I648 L685 K686 L687M470-L624 HydrophobicContact CE-CD1 3.79Å; M470-L624 HydrophobicContact CE-CG 4.4Å; M470-L624 HydrophobicContact SD-CD1 3.72Å; L624-L636 CarbonylContact O-C 3.56Å; L624-L636 WeakPolarHBondContact O-CA 3.4Å; L624-L637 HydrophobicContact CB-CB 4.27Å; L624-L637 PolarHBondContact N-O 2.8Å; L624-L637 PolarHBondContact O-N 3.47Å; L624-I648 HydrophobicContact CD1-CG2 3.95Å; L624-I648 HydrophobicContact CD2-CG2 4.39Å; L624-L685 HydrophobicContact CB-CD2 4.09Å; L624-L685 HydrophobicContact CD1-CD1 4.2Å; L624-K686 CarbonylContact C-O 3.6Å; L624-K686 WeakPolarHBondContact CA-O 3.47Å; L624-L687 HydrophobicContact CD2-CB 3.99Å; L624-L687 HydrophobicContact CD2-CD1 3.63Å; L624-L687 HydrophobicContact CD2-CG 4.44Å
625S94.5Very high90.3Very high2 Ų246.6 Ų46.61%0.01425%0.245CC..EExtended strand (participates in β ladder)trans-122.7144.6174.671.10000111.7V635 K686 E688S625-V635 WeakPolarHBondContact CA-O 3.27Å; S625-K686 PolarHBondContact N-O 3.46Å; S625-K686 PolarHBondContact O-N 2.92Å; S625-E688 WeakPolarHBondContact CB-OE1 3.35Å; S625-E688 WeakPolarHBondContact OG-CG 3.39Å; S625-E688 PolarHBondContact OG-OE1 2.94Å
626R93.4Very high90.4Very high42 Ų4243.3 Ų43.316%0.15823%0.232CC..EExtended strand (participates in β ladder)trans-130.6113.9168.9-178.263.4166.4165.7-4.6108.8V463 I628 E634 V635 K683 D684 L685V463-R626 HydrophobicContact CG1-CB 3.87Å; V463-R626 HydrophobicContact CG1-CG 3.97Å; V463-R626 HydrophobicContact CG2-CG 4.01Å; R626-I628 HydrophobicContact CG-CD1 4.36Å; R626-E634 CarbonylContact O-C 3.58Å; R626-E634 WeakPolarHBondContact O-CA 3.26Å; R626-V635 PolarHBondContact N-O 3.27Å; R626-V635 PolarHBondContact O-N 3.22Å; R626-K683 PolarHBondContact NE-O 2.76Å; R626-K683 VanDerWaalsContact NE-O 3.15Å; R626-K683 PolarHBondContact NH1-O 2.92Å; R626-K683 PolarHBondContact NH2-O 3.46Å; R626-D684 IonicContact CZ-OD2 3.34Å; R626-D684 IonicContact NH1-OD2 2.93Å; R626-D684 PolarHBondContact NH1-OD2 3.17Å; R626-D684 IonicContact NH2-OD2 3.77Å; R626-D684 PolarHBondContact NH2-OD2 3.4Å; R626-L685 HydrophobicContact CB-CD2 3.79Å
627K91.5Very high90.3Very high118 Ų11843.3 Ų43.351%0.51323%0.232SC..EExtended strand (participates in β ladder)trans-78.4131.7167.6-63.9-170.9178.5-169.70109E634K627-E634 WeakPolarHBondContact CE-OE1 3.44Å; K627-E634 HydrophobicContact CG-CB 4.31Å; K627-E634 HydrophobicContact CG-CG 4.02Å; K627-E634 WeakPolarHBondContact CG-OE1 3.36Å
628I86.5Confident90.4Very high17 Ų1739.9 Ų39.99%0.08722%0.217CC..PPolyproline II helixtrans-81.7132.9176.3-53.3-56.5000108.4A459 H460 V463 R626 E631 N633 V635A459-I628 HydrophobicContact CB-CG2 3.62Å; H460-I628 HydrophobicContact CB-CD1 4.36Å; H460-I628 HydrophobicContact CB-CG1 4Å; V463-I628 HydrophobicContact CB-CD1 4.2Å; V463-I628 HydrophobicContact CG2-CD1 3.49Å; V463-I628 VanDerWaalsContact CG2-CD1 3.49Å; R626-I628 HydrophobicContact CG-CD1 4.36Å; I628-E631 HydrophobicContact CB-CB 4.02Å; I628-E631 HydrophobicContact CG2-CB 3.84Å; I628-E631 HydrophobicContact CG2-CG 3.95Å; I628-N633 HydrophobicContact CB-CB 4.5Å; I628-N633 HydrophobicContact CG1-CB 4.12Å; I628-N633 PolarHBondContact N-O 3.4Å; I628-V635 HydrophobicContact CD1-CG2 4.49Å
629A74.5Confident90.2Very high85 Ų8536 Ų3670%0.70219%0.19SC*.SBendtrans-66.5139.517700000109.6E631A629-E631 PolarHBondContact O-N 3.34Å
630E68.6Low90Very high198 Ų19838.8 Ų38.893%0.92520%0.199SC*.SBendtrans65.9-8.6177.3-51.5-179.7-178.800116
631E75.5Confident89.6Confident74 Ų7443.4 Ų43.435%0.34622%0.221SC..SBendtrans-105.3161.4170.9-64.4-179.8-161.100111.3H460 I628 A629 N633H460-E631 IonicContact ND1-OE2 2.67Å; H460-E631 PolarHBondContact ND1-OE2 3.5Å; I628-E631 HydrophobicContact CB-CB 4.02Å; I628-E631 HydrophobicContact CG2-CB 3.84Å; I628-E631 HydrophobicContact CG2-CG 3.95Å; A629-E631 PolarHBondContact O-N 3.34Å; E631-N633 VanDerWaalsContact C-N 3.28Å; E631-N633 HydrophobicContact CB-CB 4.36Å
632I79.5Confident89.1Confident85 Ų8548.4 Ų48.444%0.43624%0.238SC..SBendtrans-84.2-13174.3-60.1158.7000110.6V602 R604V602-I632 HydrophobicContact CG1-CB 4.2Å; V602-I632 HydrophobicContact CG1-CG2 3.8Å; R604-I632 HydrophobicContact CG-CG2 4.09Å
633N88.9Confident88.4Confident26 Ų2651 Ų5114%0.13925%0.249CC..  trans-65.3137-176-62.665.8000112.3H460 N600 V602 I628 E631H460-N633 HydrophobicContact CB-CB 4.13Å; N600-N633 PolarHBondContact ND2-ND2 3.37Å; N600-N633 PolarHBondContact OD1-ND2 3.02Å; V602-N633 HydrophobicContact CG2-CB 4.32Å; V602-N633 WeakPolarHBondContact CG2-ND2 3.28Å; I628-N633 HydrophobicContact CB-CB 4.5Å; I628-N633 HydrophobicContact CG1-CB 4.12Å; I628-N633 PolarHBondContact N-O 3.4Å; E631-N633 VanDerWaalsContact C-N 3.28Å; E631-N633 HydrophobicContact CB-CB 4.36Å
634E93.3Very high87.4Confident8 Ų855.6 Ų55.64%0.03727%0.273CS..EExtended strand (participates in β ladder)trans-127.8124.4168.7178.8168.9-138.500108.4L601 R609 R626 K627 L636L601-E634 WeakPolarHBondContact CA-O 3.31Å; L601-E634 WeakPolarHBondContact CB-O 3.45Å; L601-E634 PolarHBondContact N-O 3.35Å; L601-E634 PolarHBondContact O-N 3.47Å; R609-E634 IonicContact CZ-OE1 3.72Å; R609-E634 IonicContact CZ-OE2 2.72Å; R609-E634 IonicContact NE-OE1 2.7Å; R609-E634 IonicContact NE-OE2 2.68Å; R609-E634 PolarHBondContact NE-OE2 3.4Å; R609-E634 IonicContact NH2-OE1 3.65Å; R609-E634 PolarHBondContact NH2-OE1 3.31Å; R609-E634 IonicContact NH2-OE2 3.75Å; R609-E634 PolarHBondContact NH2-OE2 3.27Å; R626-E634 CarbonylContact O-C 3.58Å; R626-E634 WeakPolarHBondContact O-CA 3.26Å; K627-E634 WeakPolarHBondContact CE-OE1 3.44Å; K627-E634 HydrophobicContact CG-CB 4.31Å; K627-E634 HydrophobicContact CG-CG 4.02Å; K627-E634 WeakPolarHBondContact CG-OE1 3.36Å; E634-L636 HydrophobicContact CG-CD2 4.07Å
635V96Very high86.2Confident0 Ų058.2 Ų58.20%030%0.295CS..EExtended strand (participates in β ladder)trans-94.9123.3177.5-1780000108.8H460 V463 M464 I598 L599 S625 R626 I628 L637H460-V635 HydrophobicContact CB-CG2 3.81Å; V463-V635 HydrophobicContact CB-CB 4.39Å; V463-V635 HydrophobicContact CB-CG2 4.12Å; V463-V635 HydrophobicContact CG1-CB 3.78Å; V463-V635 HydrophobicContact CG1-CG1 3.96Å; V463-V635 HydrophobicContact CG1-CG2 4.07Å; M464-V635 HydrophobicContact CG-CG1 3.91Å; M464-V635 HydrophobicContact CG-CG2 4.28Å; I598-V635 HydrophobicContact CG2-CG1 3.84Å; L599-V635 CarbonylContact O-C 3.55Å; L599-V635 WeakPolarHBondContact O-CA 3.18Å; S625-V635 WeakPolarHBondContact CA-O 3.27Å; R626-V635 PolarHBondContact N-O 3.27Å; R626-V635 PolarHBondContact O-N 3.22Å; I628-V635 HydrophobicContact CD1-CG2 4.49Å; V635-L637 HydrophobicContact CG1-CD2 3.92Å
636L97Very high84.8Confident1 Ų161.5 Ų61.51%0.00532%0.322CS..EExtended strand (participates in β ladder)trans-98.3128.6172.4-52.2-175.2000110I598 L599 L601 L613 L624 E634I598-L636 WeakPolarHBondContact CA-O 3.32Å; L599-L636 HydrophobicContact CB-CB 4.27Å; L599-L636 HydrophobicContact CD2-CD1 4.23Å; L599-L636 PolarHBondContact N-O 2.81Å; L599-L636 PolarHBondContact O-N 2.88Å; L601-L636 HydrophobicContact CD2-CD1 4.27Å; L613-L636 HydrophobicContact CD1-CD1 4.32Å; L613-L636 HydrophobicContact CD1-CD2 4.49Å; L624-L636 CarbonylContact O-C 3.56Å; L624-L636 WeakPolarHBondContact O-CA 3.4Å; E634-L636 HydrophobicContact CG-CD2 4.07Å
637L96.3Very high83.7Confident1 Ų165.3 Ų65.31%0.00534%0.342CS..EExtended strand (participates in β ladder)trans-109.7108.2175.2-50.6178.3000108.6M470 M596 I598 V623 L624 V635 L685M470-L637 HydrophobicContact SD-CB 3.79Å; M470-L637 HydrophobicContact SD-CD1 3.89Å; M470-L637 HydrophobicContact SD-CG 4.49Å; M596-L637 HydrophobicContact CE-CB 4.06Å; I598-L637 HydrophobicContact CB-CD2 4.41Å; I598-L637 HydrophobicContact CD1-CD2 3.99Å; I598-L637 HydrophobicContact CG1-CD2 3.84Å; I598-L637 HydrophobicContact CG2-CD2 3.92Å; V623-L637 WeakPolarHBondContact CA-O 3.5Å; L624-L637 HydrophobicContact CB-CB 4.27Å; L624-L637 PolarHBondContact N-O 2.8Å; L624-L637 PolarHBondContact O-N 3.47Å; V635-L637 HydrophobicContact CG1-CD2 3.92Å; L637-L685 HydrophobicContact CD1-CD1 4.15Å; L637-L685 HydrophobicContact CD1-CD2 3.81Å
638C96.5Very high83.1Confident0 Ų060.2 Ų60.20%032%0.32CS..EExtended strand (participates in β ladder)trans-113.2111.9-170-48.90000109.9M596 F597 V616 F620 T622M596-C638 CarbonylContact C-O 3.57Å; M596-C638 VanDerWaalsContact CA-O 3.25Å; M596-C638 WeakPolarHBondContact CA-O 3.32Å; M596-C638 WeakPolarHBondContact CB-O 3.37Å; F597-C638 HydrophobicContact CB-CB 4.12Å; F597-C638 HydrophobicContact CD1-CB 4.1Å; F597-C638 PolarHBondContact N-O 3.1Å; F597-C638 WeakPolarHBondContact O-CB 3.31Å; F597-C638 PolarHBondContact O-N 3.46Å; V616-C638 HydrophobicContact CG1-CB 4.5Å; V616-C638 WeakPolarHBondContact CG1-SG 3.37Å; F620-C638 HydrophobicContact CB-CB 3.91Å; F620-C638 HydrophobicContact CD1-CB 3.75Å; F620-C638 HydrophobicContact CD2-CB 3.99Å; F620-C638 HydrophobicContact CE1-CB 4.26Å; F620-C638 HydrophobicContact CE2-CB 4.48Å; F620-C638 HydrophobicContact CG-CB 3.61Å; T622-C638 WeakPolarHBondContact O-CA 3.47Å
639S93.6Very high82.6Confident3 Ų363 Ų632%0.02134%0.335CS..EExtended strand (participates in β ladder)trans-88.6141-179175.30000110.9P621 T622 E641 K643P621-S639 WeakPolarHBondContact CD-O 3.3Å; T622-S639 PolarHBondContact O-N 3.47Å; S639-E641 WeakPolarHBondContact CB-O 3.33Å; S639-E641 PolarHBondContact OG-N 3.11Å; S639-E641 PolarHBondContact OG-O 2.98Å; S639-K643 WeakPolarHBondContact OG-CE 3.25Å
640R92Very high82.7Confident75 Ų7563 Ų6328%0.28333%0.328SS..SBendtrans-69.4-36.6171.3-174.2-178.1170.3135.43.1112.1F588 L591 T592 G595 P621F588-R640 HydrophobicContact CD2-CG 4.3Å; F588-R640 HydrophobicContact CE1-CG 4.28Å; F588-R640 HydrophobicContact CE2-CB 4.32Å; F588-R640 HydrophobicContact CE2-CG 3.67Å; F588-R640 HydrophobicContact CZ-CG 3.66Å; F588-R640 PolarHBondContact O-NH1 3.28Å; L591-R640 HydrophobicContact CD1-CB 4.46Å; L591-R640 PolarHBondContact O-NH1 2.77Å; T592-R640 WeakPolarHBondContact O-CD 3.41Å; G595-R640 WeakPolarHBondContact O-CB 3.25Å; G595-R640 PolarHBondContact O-N 2.9Å; G595-R640 VanDerWaalsContact O-N 3.17Å; P621-R640 WeakPolarHBondContact CG-O 3.48Å
641E87.6Confident83.2Confident100 Ų10057 Ų5747%0.46731%0.308SS..SBendtrans-86.6142.1176.2-80174.3-177.800111.5P593 S639 K643P593-E641 WeakPolarHBondContact O-CG 3.4Å; S639-E641 WeakPolarHBondContact CB-O 3.33Å; S639-E641 PolarHBondContact OG-N 3.11Å; S639-E641 PolarHBondContact OG-O 2.98Å; E641-K643 PolarHBondContact O-N 2.88Å
642E82.8Confident83.7Confident169 Ų16954 Ų5479%0.7929%0.294SS*.  trans-68.3117.9167-172.2176-174.500108.8P621P621-E642 HydrophobicContact CB-CB 4.02Å; P621-E642 HydrophobicContact CB-CG 4.47Å; P621-E642 HydrophobicContact CG-CB 4.41Å
643K79.7Confident84Confident62 Ų6253 Ų5327%0.2729%0.294SS..  trans-106.5143.2177.2-64.2-176178-177.60109.6M470 T622 S639 E641 A645 I648M470-K643 HydrophobicContact CE-CD 4.39Å; M470-K643 PolarHBondContact O-NZ 3.44Å; T622-K643 HydrophobicContact CG2-CB 4.31Å; T622-K643 PolarHBondContact OG1-N 2.98Å; S639-K643 WeakPolarHBondContact OG-CE 3.25Å; E641-K643 PolarHBondContact O-N 2.88Å; K643-A645 PolarHBondContact O-N 3.38Å; K643-I648 HydrophobicContact CB-CD1 3.37Å; K643-I648 HydrophobicContact CB-CG1 3.4Å; K643-I648 VanDerWaalsContact CB-CG1 3.4Å; K643-I648 HydrophobicContact CD-CG1 4.37Å; K643-I648 WeakPolarHBondContact O-CD1 3.33Å
644N73.8Confident83.8Confident100 Ų10056.6 Ų56.654%0.53531%0.31SS..  trans-70.8114.4-179.1-173.5-27.8000110.9A646 H647 I648N644-A646 PolarHBondContact O-N 3.1Å; N644-A646 WeakPolarHBondContact OD1-CB 3.36Å; N644-A646 PolarHBondContact OD1-N 3.15Å; N644-H647 PolarHBondContact O-N 2.94Å; N644-I648 WeakPolarHBondContact O-CG1 3.48Å; N644-I648 PolarHBondContact O-N 3.48Å
645A68.9Low83.5Confident57 Ų5756.8 Ų56.847%0.47131%0.313SS..Hα-helixtrans-47.9-36.6179.200000114K643 H647 L687K643-A645 PolarHBondContact O-N 3.38Å; A645-H647 VanDerWaalsContact C-N 3.27Å; A645-H647 PolarHBondContact O-N 3.06Å; A645-L687 HydrophobicContact CB-CD2 3.39Å
646A64.8Low83.2Confident70 Ų7056.8 Ų56.858%0.57931%0.313SS*.Hα-helixtrans-71-19.9-179.200000113.8N644N644-A646 PolarHBondContact O-N 3.1Å; N644-A646 WeakPolarHBondContact OD1-CB 3.36Å; N644-A646 PolarHBondContact OD1-N 3.15Å
647H70.9Confident82.8Confident123 Ų12362.9 Ų62.957%0.56934%0.34SS*.Hα-helixtrans-120.4-12.9-173.1-65.7-64.6000114.5N644 A645 S651N644-H647 PolarHBondContact O-N 2.94Å; A645-H647 VanDerWaalsContact C-N 3.27Å; A645-H647 PolarHBondContact O-N 3.06Å; H647-S651 VanDerWaalsContact O-CB 3.25Å; H647-S651 WeakPolarHBondContact O-CB 3.45Å; H647-S651 PolarHBondContact O-N 2.95Å; H647-S651 VanDerWaalsContact O-N 3.12Å; H647-S651 PolarHBondContact O-OG 3.22Å
648I77.5Confident82.4Confident10 Ų1064.5 Ų64.55%0.05135%0.348CS..Hα-helixtrans-57.1-58.6178.2-76.4164.8000111.6T622 L624 K643 N644 S651 L652T622-I648 HydrophobicContact CG2-CD1 3.73Å; L624-I648 HydrophobicContact CD1-CG2 3.95Å; L624-I648 HydrophobicContact CD2-CG2 4.39Å; K643-I648 HydrophobicContact CB-CD1 3.37Å; K643-I648 HydrophobicContact CB-CG1 3.4Å; K643-I648 VanDerWaalsContact CB-CG1 3.4Å; K643-I648 HydrophobicContact CD-CG1 4.37Å; K643-I648 WeakPolarHBondContact O-CD1 3.33Å; N644-I648 WeakPolarHBondContact O-CG1 3.48Å; N644-I648 PolarHBondContact O-N 3.48Å; I648-S651 PolarHBondContact O-N 3.32Å; I648-S651 PolarHBondContact O-OG 3.26Å; I648-L652 VanDerWaalsContact O-CB 3.22Å; I648-L652 WeakPolarHBondContact O-CB 3.34Å; I648-L652 PolarHBondContact O-N 3.14Å
649L76.9Confident82.1Confident76 Ų7664.5 Ų64.540%0.39835%0.348SS..Hα-helixtrans-65.6-42.5-171.2-61.9171.2000112.9L652 S653 L685L649-L652 PolarHBondContact O-N 2.97Å; L649-S653 PolarHBondContact O-N 3.14Å; L649-S653 PolarHBondContact O-OG 2.84Å; L649-L685 HydrophobicContact CD2-CB 4.12Å
650P76.3Confident82Confident85 Ų8566.5 Ų66.555%0.55236%0.357SS*.Hα-helixtrans-64.8-42174.7-23.234.6000113.5L652 S653P650-L652 VanDerWaalsContact C-N 3.34Å; P650-S653 PolarHBondContact O-N 3.4Å
651S80.6Confident81.7Confident73 Ų7366.4 Ų66.451%0.5137%0.368SS..Hα-helixtrans-68.4-34.7179.261.90000112.2H647 I648 S653 Q654 A655H647-S651 VanDerWaalsContact O-CB 3.25Å; H647-S651 WeakPolarHBondContact O-CB 3.45Å; H647-S651 PolarHBondContact O-N 2.95Å; H647-S651 VanDerWaalsContact O-N 3.12Å; H647-S651 PolarHBondContact O-OG 3.22Å; I648-S651 PolarHBondContact O-N 3.32Å; I648-S651 PolarHBondContact O-OG 3.26Å; S651-S653 VanDerWaalsContact C-N 3.31Å; S651-S653 PolarHBondContact O-N 2.85Å; S651-Q654 PolarHBondContact O-N 3.32Å; S651-A655 PolarHBondContact O-N 2.86Å
652L84.9Confident81.5Confident10 Ų1062.9 Ų62.95%0.05235%0.352CS..Hα-helixtrans-63.6-36.1177.6-167.266.3000112.4M470 I648 L649 P650 Q654 A655 A656 I682 L685M470-L652 HydrophobicContact CB-CD1 4.36Å; M470-L652 HydrophobicContact CG-CD1 3.51Å; I648-L652 VanDerWaalsContact O-CB 3.22Å; I648-L652 WeakPolarHBondContact O-CB 3.34Å; I648-L652 PolarHBondContact O-N 3.14Å; L649-L652 PolarHBondContact O-N 2.97Å; P650-L652 VanDerWaalsContact C-N 3.34Å; L652-Q654 VanDerWaalsContact C-N 3.3Å; L652-Q654 PolarHBondContact O-N 3.28Å; L652-A655 PolarHBondContact O-N 3.36Å; L652-A656 WeakPolarHBondContact O-CB 3.44Å; L652-A656 PolarHBondContact O-N 3.39Å; L652-I682 HydrophobicContact CB-CD1 4.45Å; L652-I682 HydrophobicContact CD2-CB 4.19Å; L652-I682 HydrophobicContact CD2-CD1 4.12Å; L652-I682 HydrophobicContact CD2-CG2 4.47Å; L652-I682 HydrophobicContact CG-CD1 3.77Å; L652-L685 HydrophobicContact CD2-CD1 3.42Å; L652-L685 VanDerWaalsContact CD2-CD1 3.42Å
653S85.3Confident81.5Confident64 Ų6455.1 Ų55.145%0.44832%0.316SS..Hα-helixtrans-60.9-38.5176.5-62.50000112.5L649 P650 S651 K657L649-S653 PolarHBondContact O-N 3.14Å; L649-S653 PolarHBondContact O-OG 2.84Å; P650-S653 PolarHBondContact O-N 3.4Å; S651-S653 VanDerWaalsContact C-N 3.31Å; S651-S653 PolarHBondContact O-N 2.85Å; S653-K657 WeakPolarHBondContact O-CG 3.39Å; S653-K657 PolarHBondContact O-N 3.49Å
654Q85.8Confident80.9Confident102 Ų10255.9 Ų55.948%0.47733%0.329SS..Hα-helixtrans-74.8-39.4175.1-17458.550.300111.6S651 L652 A656 K657 N658S651-Q654 PolarHBondContact O-N 3.32Å; L652-Q654 VanDerWaalsContact C-N 3.3Å; L652-Q654 PolarHBondContact O-N 3.28Å; Q654-A656 VanDerWaalsContact C-N 3.33Å; Q654-A656 PolarHBondContact O-N 3.45Å; Q654-K657 PolarHBondContact O-N 3.32Å; Q654-N658 PolarHBondContact NE2-OD1 3.33Å; Q654-N658 VanDerWaalsContact O-CG 3.28Å; Q654-N658 PolarHBondContact O-N 2.94Å; Q654-N658 PolarHBondContact O-OD1 3.37Å
655A87.4Confident80Confident11 Ų1155.1 Ų55.19%0.09133%0.331CS..Hα-helixtrans-60.6-42.117600000111.8S469 S651 L652 K657 N658 F659S469-A655 WeakPolarHBondContact O-CB 3.4Å; S651-A655 PolarHBondContact O-N 2.86Å; L652-A655 PolarHBondContact O-N 3.36Å; A655-K657 PolarHBondContact O-N 2.59Å; A655-N658 WeakPolarHBondContact O-CB 3.45Å; A655-N658 PolarHBondContact O-N 3.45Å; A655-F659 WeakPolarHBondContact O-CB 3.1Å; A655-F659 PolarHBondContact O-N 3.17Å
656A89.6Confident79.1Confident0 Ų057.9 Ų57.90%034%0.338CS..Hα-helixtrans-61.4-42.117500000113.1L652 Q654 N658 F659 Q660 I678 I682L652-A656 WeakPolarHBondContact O-CB 3.44Å; L652-A656 PolarHBondContact O-N 3.39Å; Q654-A656 VanDerWaalsContact C-N 3.33Å; Q654-A656 PolarHBondContact O-N 3.45Å; A656-N658 VanDerWaalsContact C-N 3.32Å; A656-N658 PolarHBondContact O-N 3.42Å; A656-F659 PolarHBondContact O-N 3.36Å; A656-Q660 WeakPolarHBondContact O-CB 3.5Å; A656-Q660 PolarHBondContact O-N 2.89Å; A656-I678 HydrophobicContact CB-CG2 3.67Å; A656-I682 HydrophobicContact CB-CD1 3.3Å; A656-I682 HydrophobicContact CB-CG1 4Å
657K88.6Confident78.4Confident129 Ų12965.8 Ų65.856%0.56135%0.352SS*.Hα-helixtrans-61.2-42.5174.5-72.3175.5-176.7176.90111.7S653 Q654 A655 S661S653-K657 WeakPolarHBondContact O-CG 3.39Å; S653-K657 PolarHBondContact O-N 3.49Å; Q654-K657 PolarHBondContact O-N 3.32Å; A655-K657 PolarHBondContact O-N 2.59Å; K657-S661 PolarHBondContact O-N 3.13Å; K657-S661 VanDerWaalsContact O-N 3.11Å
658N87.9Confident77.1Confident36 Ų3665.4 Ų65.419%0.19336%0.359CS..Hα-helixtrans-64.4-44.1177-63.3-10.4000110.5Q654 A655 A656 S661 M662Q654-N658 PolarHBondContact NE2-OD1 3.33Å; Q654-N658 VanDerWaalsContact O-CG 3.28Å; Q654-N658 PolarHBondContact O-N 2.94Å; Q654-N658 PolarHBondContact O-OD1 3.37Å; A655-N658 WeakPolarHBondContact O-CB 3.45Å; A655-N658 PolarHBondContact O-N 3.45Å; A656-N658 VanDerWaalsContact C-N 3.32Å; A656-N658 PolarHBondContact O-N 3.42Å; N658-S661 PolarHBondContact O-N 3.21Å; N658-S661 PolarHBondContact O-OG 3.12Å; N658-M662 PolarHBondContact O-N 2.85Å; N658-M662 VanDerWaalsContact O-N 3.12Å
659F89.5Confident75.9Confident0 Ų070.4 Ų70.40%038%0.382CS..Hα-helixtrans-64.9-43.9178.8-174.6-136000112.3V465 L468 V473 V503 A655 A656 S661 M662 L663 I678V465-F659 HydrophobicContact CG1-CE1 4.2Å; V465-F659 HydrophobicContact CG1-CZ 4.39Å; V465-F659 WeakPolarHBondContact O-CE1 3.4Å; L468-F659 HydrophobicContact CB-CE1 3.96Å; L468-F659 HydrophobicContact CB-CZ 3.91Å; L468-F659 HydrophobicContact CD2-CZ 4.15Å; V473-F659 HydrophobicContact CB-CD2 3.91Å; V473-F659 HydrophobicContact CB-CE2 4.25Å; V473-F659 HydrophobicContact CG1-CD2 3.62Å; V473-F659 HydrophobicContact CG1-CE2 3.79Å; V503-F659 HydrophobicContact CG1-CE2 4.38Å; V503-F659 HydrophobicContact CG2-CE2 4.38Å; V503-F659 HydrophobicContact CG2-CZ 4.09Å; A655-F659 WeakPolarHBondContact O-CB 3.1Å; A655-F659 PolarHBondContact O-N 3.17Å; A656-F659 PolarHBondContact O-N 3.36Å; F659-S661 VanDerWaalsContact C-N 3.25Å; F659-S661 PolarHBondContact O-N 3.03Å; F659-M662 WeakPolarHBondContact O-CB 3.3Å; F659-M662 PolarHBondContact O-N 3.4Å; F659-M662 VanDerWaalsContact O-N 3.09Å; F659-L663 HydrophobicContact CD1-CD1 4.45Å; F659-L663 HydrophobicContact CD2-CG 4.38Å; F659-L663 HydrophobicContact CE1-CD1 4.15Å; F659-L663 HydrophobicContact CE2-CD2 3.86Å; F659-L663 HydrophobicContact CE2-CG 4.1Å; F659-L663 HydrophobicContact CZ-CD1 4.19Å; F659-L663 HydrophobicContact CZ-CD2 3.88Å; F659-L663 HydrophobicContact CZ-CG 4.2Å; F659-L663 WeakPolarHBondContact O-CG 3.14Å; F659-L663 PolarHBondContact O-N 3.18Å; F659-I678 HydrophobicContact CD1-CD1 3.94Å; F659-I678 HydrophobicContact CD1-CG1 4.07Å; F659-I678 HydrophobicContact CD1-CG2 3.92Å; F659-I678 HydrophobicContact CE1-CD1 3.84Å; F659-I678 HydrophobicContact CE1-CG1 4.43Å
660Q90.6Very high74.4Confident45 Ų4572.4 Ų72.421%0.2140%0.399CS..Hα-helixtrans-54.9-42.1172.5-173.173.752.800112A656 M662 L663 S664 I676 I678A656-Q660 WeakPolarHBondContact O-CB 3.5Å; A656-Q660 PolarHBondContact O-N 2.89Å; Q660-M662 VanDerWaalsContact C-N 3.32Å; Q660-M662 PolarHBondContact O-N 3.44Å; Q660-L663 PolarHBondContact O-N 2.83Å; Q660-S664 PolarHBondContact O-N 2.7Å; Q660-S664 PolarHBondContact O-OG 3.33Å; Q660-I676 PolarHBondContact NE2-O 3.49Å; Q660-I676 PolarHBondContact OE1-O 2.99Å; Q660-I678 HydrophobicContact CB-CB 4.44Å; Q660-I678 HydrophobicContact CB-CG1 4.43Å; Q660-I678 VanDerWaalsContact OE1-CG1 3.25Å
661S86.4Confident73.3Confident72 Ų7276.2 Ų76.250%0.50341%0.407SS..Hα-helixtrans-66.1-34.8179.879.80000112.4K657 N658 F659K657-S661 PolarHBondContact O-N 3.13Å; K657-S661 VanDerWaalsContact O-N 3.11Å; N658-S661 PolarHBondContact O-N 3.21Å; N658-S661 PolarHBondContact O-OG 3.12Å; F659-S661 VanDerWaalsContact C-N 3.25Å; F659-S661 PolarHBondContact O-N 3.03Å
662M83.4Confident72.6Confident27 Ų2777.7 Ų77.713%0.13340%0.402CS..Hα-helixtrans-67.8-47.9175.5-81.3-98.7-63.800112.2V473 K479 P504 N658 F659 Q660 S664 C665V473-M662 HydrophobicContact CG1-CE 3.88Å; K479-M662 HydrophobicContact CG-SD 4.3Å; P504-M662 HydrophobicContact CB-CE 3.84Å; P504-M662 HydrophobicContact CG-CE 3.5Å; P504-M662 HydrophobicContact CG-SD 4.32Å; N658-M662 PolarHBondContact O-N 2.85Å; N658-M662 VanDerWaalsContact O-N 3.12Å; F659-M662 WeakPolarHBondContact O-CB 3.3Å; F659-M662 PolarHBondContact O-N 3.4Å; F659-M662 VanDerWaalsContact O-N 3.09Å; Q660-M662 VanDerWaalsContact C-N 3.32Å; Q660-M662 PolarHBondContact O-N 3.44Å; M662-S664 PolarHBondContact O-N 3Å; M662-S664 VanDerWaalsContact O-N 3.12Å; M662-C665 VanDerWaalsContact O-CB 3.31Å; M662-C665 WeakPolarHBondContact O-CB 3.12Å; M662-C665 PolarHBondContact O-N 3.5Å
663L83.4Confident72.3Confident5 Ų586 Ų863%0.02643%0.433CS..Hα-helixtrans-56.7-30.9178.6-66177000111.8F502 V503 F659 Q660 C665 P674 I676 I678F502-L663 HydrophobicContact CB-CD2 4.1Å; F502-L663 VanDerWaalsContact O-CD2 3.24Å; F502-L663 WeakPolarHBondContact O-CD2 3.42Å; V503-L663 HydrophobicContact CG2-CD2 4.05Å; F659-L663 HydrophobicContact CD1-CD1 4.45Å; F659-L663 HydrophobicContact CD2-CG 4.38Å; F659-L663 HydrophobicContact CE1-CD1 4.15Å; F659-L663 HydrophobicContact CE2-CD2 3.86Å; F659-L663 HydrophobicContact CE2-CG 4.1Å; F659-L663 HydrophobicContact CZ-CD1 4.19Å; F659-L663 HydrophobicContact CZ-CD2 3.88Å; F659-L663 HydrophobicContact CZ-CG 4.2Å; F659-L663 WeakPolarHBondContact O-CG 3.14Å; F659-L663 PolarHBondContact O-N 3.18Å; Q660-L663 PolarHBondContact O-N 2.83Å; L663-C665 VanDerWaalsContact C-N 3.33Å; L663-C665 PolarHBondContact O-N 2.83Å; L663-P674 HydrophobicContact CB-CG 3.92Å; L663-P674 WeakPolarHBondContact O-CG 3.28Å; L663-I676 HydrophobicContact CD1-CG2 3.99Å; L663-I678 HydrophobicContact CD1-CD1 3.72Å; L663-I678 HydrophobicContact CD1-CG1 3.74Å
664S66.5Low72.4Confident78 Ų7884 Ų8455%0.54542%0.417SS..THydrogen-bonded Turntrans-83.6-2.6-177.6-54.10000114.2Q660 M662Q660-S664 PolarHBondContact O-N 2.7Å; Q660-S664 PolarHBondContact O-OG 3.33Å; M662-S664 PolarHBondContact O-N 3Å; M662-S664 VanDerWaalsContact O-N 3.12Å
665C54.8Low72.6Confident85 Ų8583.1 Ų83.157%0.57442%0.416SS*.  trans-97.9-4.1-159.5-142.60000115.6M662 L663 R667M662-C665 VanDerWaalsContact O-CB 3.31Å; M662-C665 WeakPolarHBondContact O-CB 3.12Å; M662-C665 PolarHBondContact O-N 3.5Å; L663-C665 VanDerWaalsContact C-N 3.33Å; L663-C665 PolarHBondContact O-N 2.83Å; C665-R667 PolarHBondContact O-N 3.5Å
666D50.9Low72.7Confident115 Ų11583.1 Ų83.162%0.61541%0.414SS*.  trans-79120.2178.7-152.7-22.4000112T668D666-T668 PolarHBondContact OD1-N 2.9Å; D666-T668 PolarHBondContact OD1-OG1 3.13Å
667R48.6Very low72.9Confident235 Ų23587.3 Ų87.389%0.88744%0.437SS*.  trans-97.72-168.2-71.8-179.5173.9-177.4-1.5113.5C665C665-R667 PolarHBondContact O-N 3.5Å
668T43.9Very low73Confident115 Ų11581.2 Ų81.271%0.70641%0.41SS*.SBendtrans-90.7-25.3-163.654.50000114.4D666D666-T668 PolarHBondContact OD1-N 2.9Å; D666-T668 PolarHBondContact OD1-OG1 3.13Å
669E52.6Low73Confident115 Ų11581.7 Ų81.754%0.53742%0.419SS..  trans-135.4111.6169-73.6-158.2160.700112.3K671 R672E669-K671 PolarHBondContact O-N 3.28Å; E669-R672 PolarHBondContact O-N 3.49Å; E669-R672 IonicContact OE2-NE 3.85Å
670P45.8Very low73Confident118 Ų11885.5 Ų85.577%0.76644%0.437SS*.THydrogen-bonded Turntrans-65.90.4-178.624.5-32.6000115
671K52Low73Confident166 Ų16684.9 Ų84.972%0.72244%0.435SS*.THydrogen-bonded Turntrans-103.4-11.9-173.7-72.3-174.5178.7178.30115.3E669E669-K671 PolarHBondContact O-N 3.28Å
672R65.9Low73.1Confident103 Ų10382.1 Ų82.139%0.38941%0.414SS..  trans-114.1106.1177.8-65.5-176.5-172.6-144.8-5.9108.7D501 F502 E669D501-R672 IonicContact OD2-NH1 3.61Å; D501-R672 PolarHBondContact OD2-NH1 2.88Å; F502-R672 HydrophobicContact CE1-CB 4.26Å; F502-R672 HydrophobicContact CZ-CB 4.3Å; E669-R672 PolarHBondContact O-N 3.49Å; E669-R672 IonicContact OE2-NE 3.85Å
673R80.1Confident73Confident186 Ų18685.4 Ų85.470%0.70243%0.427SS*.  trans-118.7136.8174.2-69.1-175.4-178.8-172.5-1.4108.5L675R673-L675 PolarHBondContact O-N 3.37Å
674P87Confident73.1Confident20 Ų2090.1 Ų90.113%0.1345%0.453CS..  trans-68.3126.6172.627.6-29.6000108.8F498 F502 L663 I676F498-P674 HydrophobicContact CE2-CB 4Å; F498-P674 HydrophobicContact CZ-CB 3.62Å; F502-P674 HydrophobicContact CB-CB 4.3Å; F502-P674 HydrophobicContact CD1-CB 3.79Å; F502-P674 HydrophobicContact CD1-CG 3.87Å; F502-P674 HydrophobicContact CD2-CB 4.43Å; F502-P674 HydrophobicContact CE1-CB 4.23Å; F502-P674 HydrophobicContact CE1-CG 4.4Å; F502-P674 HydrophobicContact CG-CB 3.9Å; F502-P674 HydrophobicContact CG-CG 4.35Å; L663-P674 HydrophobicContact CB-CG 3.92Å; L663-P674 WeakPolarHBondContact O-CG 3.28Å; P674-I676 HydrophobicContact CB-CG2 4.27Å
675L89.8Confident74.1Confident84 Ų8486.8 Ų86.844%0.4443%0.429SS..  trans-103.165.7178.8-61.7175.5000108.9G454 F455 R673G454-L675 WeakPolarHBondContact O-CB 3.48Å; G454-L675 PolarHBondContact O-N 3.01Å; F455-L675 HydrophobicContact CB-CD1 4.34Å; F455-L675 HydrophobicContact CD2-CB 4.25Å; F455-L675 HydrophobicContact CD2-CD1 4.16Å; R673-L675 PolarHBondContact O-N 3.37Å
676I90.6Very high75.7Confident11 Ų1188.9 Ų88.96%0.05643%0.428CS..  trans-136.5138.7178.8-171.8170.3000109.3L456 E462 V465 F498 Q660 L663 P674 I678L456-I676 HydrophobicContact CD1-CD1 4.39Å; E462-I676 HydrophobicContact CB-CD1 3.75Å; E462-I676 HydrophobicContact CB-CG1 4.12Å; E462-I676 HydrophobicContact CG-CD1 4.16Å; E462-I676 HydrophobicContact CG-CG1 4.28Å; E462-I676 WeakPolarHBondContact O-CD1 3.31Å; V465-I676 HydrophobicContact CB-CD1 4.05Å; V465-I676 HydrophobicContact CG1-CD1 3.99Å; F498-I676 HydrophobicContact CZ-CB 4.42Å; F498-I676 HydrophobicContact CZ-CG2 3.83Å; Q660-I676 PolarHBondContact NE2-O 3.49Å; Q660-I676 PolarHBondContact OE1-O 2.99Å; L663-I676 HydrophobicContact CD1-CG2 3.99Å; P674-I676 HydrophobicContact CB-CG2 4.27Å; I676-I678 HydrophobicContact CD1-CD1 3.69Å; I676-I678 HydrophobicContact CG1-CD1 4Å; I676-I678 HydrophobicContact CG2-CD1 4.02Å; I676-I678 HydrophobicContact CG2-CG1 4.38Å
677D91.8Very high77.6Confident89 Ų8987.5 Ų87.548%0.47642%0.42SS..  trans-104.794.4168.6-169.7-28.6000109.3A679 E680 M681D677-A679 PolarHBondContact O-N 3.29Å; D677-A679 WeakPolarHBondContact OD1-CB 3.39Å; D677-A679 PolarHBondContact OD1-N 3.28Å; D677-E680 HydrophobicContact CB-CB 4.15Å; D677-E680 PolarHBondContact O-N 3.5Å; D677-E680 PolarHBondContact OD1-N 3.03Å; D677-E680 VanDerWaalsContact OD1-N 3.07Å; D677-M681 WeakPolarHBondContact O-CG 3.23Å; D677-M681 PolarHBondContact O-N 3.04Å; D677-M681 VanDerWaalsContact O-N 3.12Å
678I91.1Very high79.5Confident0 Ų080.4 Ų80.40%040%0.397CS..Hα-helixtrans-58.5-38.7-179.1-59.5-63.8000110.6V465 A466 S469 A656 F659 Q660 L663 I676 M681 I682V465-I678 HydrophobicContact CG1-CD1 4.2Å; A466-I678 HydrophobicContact CB-CD1 4.01Å; A466-I678 HydrophobicContact CB-CG2 4.07Å; S469-I678 WeakPolarHBondContact OG-CG2 3.42Å; A656-I678 HydrophobicContact CB-CG2 3.67Å; F659-I678 HydrophobicContact CD1-CD1 3.94Å; F659-I678 HydrophobicContact CD1-CG1 4.07Å; F659-I678 HydrophobicContact CD1-CG2 3.92Å; F659-I678 HydrophobicContact CE1-CD1 3.84Å; F659-I678 HydrophobicContact CE1-CG1 4.43Å; Q660-I678 HydrophobicContact CB-CB 4.44Å; Q660-I678 HydrophobicContact CB-CG1 4.43Å; Q660-I678 VanDerWaalsContact OE1-CG1 3.25Å; L663-I678 HydrophobicContact CD1-CD1 3.72Å; L663-I678 HydrophobicContact CD1-CG1 3.74Å; I676-I678 HydrophobicContact CD1-CD1 3.69Å; I676-I678 HydrophobicContact CG1-CD1 4Å; I676-I678 HydrophobicContact CG2-CD1 4.02Å; I676-I678 HydrophobicContact CG2-CG1 4.38Å; I678-M681 PolarHBondContact O-N 3.45Å; I678-I682 WeakPolarHBondContact O-CG1 3.46Å; I678-I682 PolarHBondContact O-N 3.35Å
679A88.7Confident81.3Confident47 Ų4778.7 Ų78.739%0.38838%0.382SS..Hα-helixtrans-69-37.7-175.600000112D677 I682D677-A679 PolarHBondContact O-N 3.29Å; D677-A679 WeakPolarHBondContact OD1-CB 3.39Å; D677-A679 PolarHBondContact OD1-N 3.28Å; A679-I682 WeakPolarHBondContact O-CG1 3.37Å
680E90.3Very high82.8Confident79 Ų7976.7 Ų76.737%0.36937%0.374SS..Hα-helixtrans-71.2-35.7174.6-169.761.9-162.200111.7D677 I682 K683D677-E680 HydrophobicContact CB-CB 4.15Å; D677-E680 PolarHBondContact O-N 3.5Å; D677-E680 PolarHBondContact OD1-N 3.03Å; D677-E680 VanDerWaalsContact OD1-N 3.07Å; E680-I682 PolarHBondContact O-N 2.55Å; E680-K683 VanDerWaalsContact CD-NZ 3.32Å; E680-K683 WeakPolarHBondContact O-CB 3.48Å; E680-K683 PolarHBondContact O-N 3.5Å; E680-K683 IonicContact OE1-NZ 3.87Å; E680-K683 PolarHBondContact OE1-NZ 3.44Å; E680-K683 VanDerWaalsContact OE2-CD 3.22Å; E680-K683 WeakPolarHBondContact OE2-CD 3.48Å; E680-K683 IonicContact OE2-NZ 2.78Å; E680-K683 PolarHBondContact OE2-NZ 2.92Å
681M90.4Very high84.9Confident33 Ų3374.4 Ų74.416%0.16335%0.352CS..Hα-helixtrans-67.5-35.5-179.2-72.6-53.8108.400114.1E462 V463 A466 D677 I678 K683E462-M681 HydrophobicContact CB-CG 3.77Å; E462-M681 HydrophobicContact CB-SD 3.71Å; E462-M681 VanDerWaalsContact OE2-SD 3.4Å; V463-M681 HydrophobicContact CG2-CB 4.23Å; V463-M681 HydrophobicContact CG2-CG 4.46Å; V463-M681 HydrophobicContact CG2-SD 3.8Å; A466-M681 HydrophobicContact CB-CB 3.53Å; A466-M681 HydrophobicContact CB-CG 4.42Å; D677-M681 WeakPolarHBondContact O-CG 3.23Å; D677-M681 PolarHBondContact O-N 3.04Å; D677-M681 VanDerWaalsContact O-N 3.12Å; I678-M681 PolarHBondContact O-N 3.45Å; M681-K683 VanDerWaalsContact C-N 3.3Å
682I87.4Confident86.8Confident14 Ų1469.1 Ų69.17%0.07233%0.33CS..THydrogen-bonded Turntrans-83.9-4.3176.663152.2000113.8A466 L652 A656 I678 A679 E680 L685A466-I682 HydrophobicContact CB-CG2 3.83Å; L652-I682 HydrophobicContact CB-CD1 4.45Å; L652-I682 HydrophobicContact CD2-CB 4.19Å; L652-I682 HydrophobicContact CD2-CD1 4.12Å; L652-I682 HydrophobicContact CD2-CG2 4.47Å; L652-I682 HydrophobicContact CG-CD1 3.77Å; A656-I682 HydrophobicContact CB-CD1 3.3Å; A656-I682 HydrophobicContact CB-CG1 4Å; I678-I682 WeakPolarHBondContact O-CG1 3.46Å; I678-I682 PolarHBondContact O-N 3.35Å; A679-I682 WeakPolarHBondContact O-CG1 3.37Å; E680-I682 PolarHBondContact O-N 2.55Å; I682-L685 HydrophobicContact CB-CD1 3.84Å; I682-L685 HydrophobicContact CG2-CD1 4.29Å; I682-L685 VanDerWaalsContact O-CD1 3.32Å; I682-L685 WeakPolarHBondContact O-CD1 3.44Å; I682-L685 WeakPolarHBondContact O-CG 3.29Å
683K82.3Confident88.1Confident95 Ų9566.9 Ų66.941%0.41333%0.326SS..THydrogen-bonded Turntrans-65.8150.3177.6-165.6176.6168.2-168.30109.8R626 E680 M681 L685R626-K683 PolarHBondContact NE-O 2.76Å; R626-K683 VanDerWaalsContact NE-O 3.15Å; R626-K683 PolarHBondContact NH1-O 2.92Å; R626-K683 PolarHBondContact NH2-O 3.46Å; E680-K683 VanDerWaalsContact CD-NZ 3.32Å; E680-K683 WeakPolarHBondContact O-CB 3.48Å; E680-K683 PolarHBondContact O-N 3.5Å; E680-K683 IonicContact OE1-NZ 3.87Å; E680-K683 PolarHBondContact OE1-NZ 3.44Å; E680-K683 VanDerWaalsContact OE2-CD 3.22Å; E680-K683 WeakPolarHBondContact OE2-CD 3.48Å; E680-K683 IonicContact OE2-NZ 2.78Å; E680-K683 PolarHBondContact OE2-NZ 2.92Å; M681-K683 VanDerWaalsContact C-N 3.3Å; K683-L685 PolarHBondContact O-N 3.17Å
684D84Confident88.7Confident104 Ų10459 Ų5956%0.55630%0.301SS*.THydrogen-bonded Turntrans46.729.8-176.4-15.2-72.6000116.2R626 K686R626-D684 IonicContact CZ-OD2 3.34Å; R626-D684 IonicContact NH1-OD2 2.93Å; R626-D684 PolarHBondContact NH1-OD2 3.17Å; R626-D684 IonicContact NH2-OD2 3.77Å; R626-D684 PolarHBondContact NH2-OD2 3.4Å; D684-K686 PolarHBondContact O-N 3.37Å
685L88.2Confident88.8Confident9 Ų961.8 Ų61.85%0.04731%0.313CS..PPolyproline II helixtrans-56.1132.6161.4-80.9166.7000109.3L624 R626 L637 L649 L652 I682 K683L624-L685 HydrophobicContact CB-CD2 4.09Å; L624-L685 HydrophobicContact CD1-CD1 4.2Å; R626-L685 HydrophobicContact CB-CD2 3.79Å; L637-L685 HydrophobicContact CD1-CD1 4.15Å; L637-L685 HydrophobicContact CD1-CD2 3.81Å; L649-L685 HydrophobicContact CD2-CB 4.12Å; L652-L685 HydrophobicContact CD2-CD1 3.42Å; L652-L685 VanDerWaalsContact CD2-CD1 3.42Å; I682-L685 HydrophobicContact CB-CD1 3.84Å; I682-L685 HydrophobicContact CG2-CD1 4.29Å; I682-L685 VanDerWaalsContact O-CD1 3.32Å; I682-L685 WeakPolarHBondContact O-CD1 3.44Å; I682-L685 WeakPolarHBondContact O-CG 3.29Å; K683-L685 PolarHBondContact O-N 3.17Å
686K89.2Confident88.7Confident129 Ų12960.1 Ų60.156%0.56130%0.304SS*.EExtended strand (participates in β ladder)trans-103.3132.2177-65-177.8-178.7179.60109.3L624 S625 D684L624-K686 CarbonylContact C-O 3.6Å; L624-K686 WeakPolarHBondContact CA-O 3.47Å; S625-K686 PolarHBondContact N-O 3.46Å; S625-K686 PolarHBondContact O-N 2.92Å; D684-K686 PolarHBondContact O-N 3.37Å
687L90.1Very high88.6Confident85 Ų8564.2 Ų64.245%0.44532%0.324SS..EExtended strand (participates in β ladder)trans-76.3123.1165.9-175.369.5000107.9T622 L624 A645T622-L687 HydrophobicContact CG2-CD1 4.17Å; L624-L687 HydrophobicContact CD2-CB 3.99Å; L624-L687 HydrophobicContact CD2-CD1 3.63Å; L624-L687 HydrophobicContact CD2-CG 4.44Å; A645-L687 HydrophobicContact CB-CD2 3.39Å
688E89.4Confident88.3Confident86 Ų8661.9 Ų61.940%0.40231%0.311SS..  trans-90.30-175.5-72-71.7172.500112.2R609 L613 K617 V623 S625R609-E688 IonicContact NH2-OE1 2.75Å; L613-E688 HydrophobicContact CD1-CB 4.05Å; L613-E688 HydrophobicContact CD1-CG 4.08Å; L613-E688 HydrophobicContact CD2-CB 4.33Å; L613-E688 HydrophobicContact CD2-CG 4.3Å; L613-E688 VanDerWaalsContact CD2-OE2 3.26Å; L613-E688 WeakPolarHBondContact CD2-OE2 3.38Å; K617-E688 WeakPolarHBondContact CE-O 3.43Å; K617-E688 WeakPolarHBondContact CE-OXT 3.25Å; K617-E688 PolarHBondContact NZ-O 3.49Å; K617-E688 PolarHBondContact NZ-OXT 3.23Å; V623-E688 HydrophobicContact CB-CB 4.45Å; V623-E688 HydrophobicContact CG1-CB 4.36Å; V623-E688 PolarHBondContact O-N 2.84Å; S625-E688 WeakPolarHBondContact CB-OE1 3.35Å; S625-E688 WeakPolarHBondContact OG-CG 3.39Å; S625-E688 PolarHBondContact OG-OE1 2.94Å

Retrieved 688 of 688 residues in 1302.8 ms (Link to these results)

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