G4VF95_SCHMA Loading...

Putative leucine-rich repeat-containing protein

AlphaFold DB , UniProt , Accession G4VF95, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 574 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 low76Confident206 Ų20670.6 Ų70.6100%1.01538%0.381SS*.  0126.40-66.1172.9-162.300107.4R3M1-R3 PolarHBondContact O-N 3.29Å
2A45Very low77.2Confident96 Ų9670 Ų7079%0.79338%0.376SS*.  trans-57128.4173.600000108.2E4A2-E4 VanDerWaalsContact C-N 3.27Å; A2-E4 PolarHBondContact O-N 3.33Å
3R59.8Low78.2Confident161 Ų16174.6 Ų74.661%0.60841%0.408SS*.  trans-65.393.6173.1-76.7-178.1178.1-178.3-2106.8M1 L33M1-R3 PolarHBondContact O-N 3.29Å; R3-L33 HydrophobicContact CB-CD1 4.17Å; R3-L33 WeakPolarHBondContact O-CD1 3.19Å
4E71.5Confident79Confident119 Ų11976.7 Ų76.756%0.55641%0.414SS*.  trans-73.2147176.7-155.2-173.9157.400109.2A2 S6 S9 R38A2-E4 VanDerWaalsContact C-N 3.27Å; A2-E4 PolarHBondContact O-N 3.33Å; E4-S6 PolarHBondContact O-N 2.98Å; E4-S9 PolarHBondContact OE1-OG 3.24Å; E4-S9 VanDerWaalsContact OE1-OG 3.13Å; E4-R38 IonicContact OE1-CZ 3.32Å; E4-R38 IonicContact OE1-NH1 3.07Å; E4-R38 PolarHBondContact OE1-NH1 2.72Å; E4-R38 IonicContact OE1-NH2 2.77Å
5W85.9Confident79.5Confident12 Ų1273.5 Ų73.55%0.04541%0.405CS..  trans-69.971171.7-80.984.3000110.7I7 V8 S9 I21 I26 M29 I30 G34 L35 D36W5-I7 HydrophobicContact CE3-CG2 3.95Å; W5-I7 HydrophobicContact CZ3-CG2 4.48Å; W5-I7 PolarHBondContact O-N 3.46Å; W5-I7 VanDerWaalsContact O-N 3.16Å; W5-V8 HydrophobicContact CB-CB 4.07Å; W5-V8 HydrophobicContact CB-CG2 4Å; W5-V8 HydrophobicContact CD2-CG2 4.29Å; W5-V8 HydrophobicContact CE3-CG2 3.7Å; W5-V8 HydrophobicContact CG-CG2 4.48Å; W5-V8 HydrophobicContact CZ3-CG2 4.48Å; W5-V8 PolarHBondContact O-N 3.14Å; W5-S9 PolarHBondContact O-N 3.04Å; W5-S9 PolarHBondContact O-OG 2.85Å; W5-I21 HydrophobicContact CH2-CG2 4Å; W5-I21 HydrophobicContact CZ3-CD1 3.99Å; W5-I21 HydrophobicContact CZ3-CG1 4.33Å; W5-I21 HydrophobicContact CZ3-CG2 3.73Å; W5-I26 HydrophobicContact CH2-CG2 4.39Å; W5-I26 HydrophobicContact CZ3-CD1 4.45Å; W5-M29 HydrophobicContact CZ2-CB 4.5Å; W5-I30 HydrophobicContact CH2-CD1 4.18Å; W5-I30 HydrophobicContact CH2-CG1 3.64Å; W5-I30 HydrophobicContact CZ2-CG1 3.75Å; W5-G34 WeakPolarHBondContact CZ2-O 3.33Å; W5-G34 PolarHBondContact NE1-O 3.47Å; W5-L35 HydrophobicContact CH2-CD1 3.86Å; W5-L35 HydrophobicContact CZ2-CD1 4.33Å; W5-L35 HydrophobicContact CZ3-CD1 4.48Å; W5-D36 HydrophobicContact CB-CB 4.05Å; W5-D36 VanDerWaalsContact CB-OD2 3.24Å; W5-D36 WeakPolarHBondContact CB-OD2 3.5Å; W5-D36 HydrophobicContact CD2-CB 3.73Å; W5-D36 HydrophobicContact CE3-CB 4.4Å; W5-D36 HydrophobicContact CG-CB 3.57Å
6S86.6Confident80.1Confident84 Ų8471.8 Ų71.859%0.58739%0.391SS*.Hα-helixtrans-54.4-37.4-177.663.10000111.8E4 V8 S9 T10E4-S6 PolarHBondContact O-N 2.98Å; S6-V8 VanDerWaalsContact C-N 3.32Å; S6-V8 PolarHBondContact O-N 2.89Å; S6-S9 PolarHBondContact O-N 3.49Å; S6-T10 WeakPolarHBondContact O-CB 3.42Å; S6-T10 PolarHBondContact O-N 3.39Å; S6-T10 PolarHBondContact O-OG1 3.14Å
7I88.8Confident80.7Confident48 Ų4871.5 Ų71.525%0.24639%0.386CS..Hα-helixtrans-60.8-38.4176.9-166.9170000113W5 A11 L19 V20W5-I7 HydrophobicContact CE3-CG2 3.95Å; W5-I7 HydrophobicContact CZ3-CG2 4.48Å; W5-I7 PolarHBondContact O-N 3.46Å; W5-I7 VanDerWaalsContact O-N 3.16Å; I7-A11 WeakPolarHBondContact O-CB 3.33Å; I7-A11 PolarHBondContact O-N 2.99Å; I7-L19 HydrophobicContact CD1-CD1 4.34Å; I7-L19 HydrophobicContact CG1-CD1 4.05Å; I7-V20 WeakPolarHBondContact CD1-O 3.38Å
8V90.4Very high81.4Confident0 Ų069.6 Ų69.60%037%0.374CS..Hα-helixtrans-75.5-43.8178.1-179.50000109.6W5 S6 T10 A11 L12 I21 D36 R38 I39W5-V8 HydrophobicContact CB-CB 4.07Å; W5-V8 HydrophobicContact CB-CG2 4Å; W5-V8 HydrophobicContact CD2-CG2 4.29Å; W5-V8 HydrophobicContact CE3-CG2 3.7Å; W5-V8 HydrophobicContact CG-CG2 4.48Å; W5-V8 HydrophobicContact CZ3-CG2 4.48Å; W5-V8 PolarHBondContact O-N 3.14Å; S6-V8 VanDerWaalsContact C-N 3.32Å; S6-V8 PolarHBondContact O-N 2.89Å; V8-T10 VanDerWaalsContact C-N 3.33Å; V8-T10 PolarHBondContact O-N 3.42Å; V8-A11 PolarHBondContact O-N 3.37Å; V8-A11 VanDerWaalsContact O-N 3.13Å; V8-L12 HydrophobicContact CG1-CD1 4.05Å; V8-L12 WeakPolarHBondContact O-CG 3.27Å; V8-L12 PolarHBondContact O-N 3.39Å; V8-I21 HydrophobicContact CG2-CD1 4.49Å; V8-D36 HydrophobicContact CG2-CB 4.27Å; V8-R38 HydrophobicContact CG1-CB 3.95Å; V8-I39 HydrophobicContact CB-CG2 4.46Å; V8-I39 HydrophobicContact CG1-CG2 3.92Å; V8-I39 HydrophobicContact CG2-CG2 3.62Å
9S90.8Very high82Confident28 Ų2866.1 Ų66.120%0.19636%0.355CS..Hα-helixtrans-57.2-46174.4-57.80000111.4E4 W5 S6 L12 V13 R38E4-S9 PolarHBondContact OE1-OG 3.24Å; E4-S9 VanDerWaalsContact OE1-OG 3.13Å; W5-S9 PolarHBondContact O-N 3.04Å; W5-S9 PolarHBondContact O-OG 2.85Å; S6-S9 PolarHBondContact O-N 3.49Å; S9-L12 PolarHBondContact O-N 2.89Å; S9-V13 VanDerWaalsContact O-CG2 3.32Å; S9-V13 WeakPolarHBondContact O-CG2 3.44Å; S9-V13 PolarHBondContact O-N 2.91Å; S9-R38 PolarHBondContact OG-NH1 3.19Å; S9-R38 PolarHBondContact OG-NH2 2.83Å
10T89.2Confident82.6Confident23 Ų2364 Ų6414%0.14135%0.345CS..Hα-helixtrans-64-41.5175-54.10000111.9S6 V8 L12 V13 E14S6-T10 WeakPolarHBondContact O-CB 3.42Å; S6-T10 PolarHBondContact O-N 3.39Å; S6-T10 PolarHBondContact O-OG1 3.14Å; V8-T10 VanDerWaalsContact C-N 3.33Å; V8-T10 PolarHBondContact O-N 3.42Å; T10-L12 VanDerWaalsContact C-N 3.3Å; T10-L12 PolarHBondContact O-N 3.05Å; T10-V13 PolarHBondContact O-N 3.4Å; T10-E14 HydrophobicContact CG2-CG 4.21Å; T10-E14 WeakPolarHBondContact CG2-OE1 3.13Å; T10-E14 WeakPolarHBondContact O-CB 3.48Å; T10-E14 PolarHBondContact O-N 2.77Å
11A90.5Very high83.1Confident0 Ų060.9 Ų60.90%033%0.328CS..Hα-helixtrans-62.6-37.5178.600000112.7I7 V8 G15 R16 L19 L42I7-A11 WeakPolarHBondContact O-CB 3.33Å; I7-A11 PolarHBondContact O-N 2.99Å; V8-A11 PolarHBondContact O-N 3.37Å; V8-A11 VanDerWaalsContact O-N 3.13Å; A11-G15 PolarHBondContact O-N 3.49Å; A11-G15 VanDerWaalsContact O-N 3.07Å; A11-R16 HydrophobicContact CB-CB 4.24Å; A11-R16 HydrophobicContact CB-CG 4.34Å; A11-R16 PolarHBondContact O-N 2.94Å; A11-L19 HydrophobicContact CB-CD1 4.17Å; A11-L42 HydrophobicContact CB-CD1 4.15Å; A11-L42 HydrophobicContact CB-CD2 3.99Å; A11-L42 WeakPolarHBondContact O-CD2 3.39Å
12L90.2Very high85.6Confident63 Ų6353.5 Ų53.533%0.3330%0.297SS..Hα-helixtrans-67.6-47.9176-73.8161.9000111.5V8 S9 T10 G15 R38 D41 L42V8-L12 HydrophobicContact CG1-CD1 4.05Å; V8-L12 WeakPolarHBondContact O-CG 3.27Å; V8-L12 PolarHBondContact O-N 3.39Å; S9-L12 PolarHBondContact O-N 2.89Å; T10-L12 VanDerWaalsContact C-N 3.3Å; T10-L12 PolarHBondContact O-N 3.05Å; L12-G15 PolarHBondContact O-N 3.42Å; L12-R38 HydrophobicContact CD1-CB 3.92Å; L12-D41 HydrophobicContact CD2-CB 4.14Å; L12-L42 HydrophobicContact CB-CD2 4.46Å; L12-L42 HydrophobicContact CD2-CD2 3.71Å; L12-L42 HydrophobicContact CD2-CG 3.94Å; L12-L42 HydrophobicContact CG-CD2 3.92Å; L12-L42 HydrophobicContact CG-CG 4.35Å
13V90.3Very high87.5Confident130 Ų13050.3 Ų50.379%0.78827%0.274SS*.Hα-helixtrans-63.6-42.8-179.41720000111.6S9 T10 G15S9-V13 VanDerWaalsContact O-CG2 3.32Å; S9-V13 WeakPolarHBondContact O-CG2 3.44Å; S9-V13 PolarHBondContact O-N 2.91Å; T10-V13 PolarHBondContact O-N 3.4Å; V13-G15 VanDerWaalsContact C-N 3.32Å
14E89.6Confident88.8Confident104 Ų10450.4 Ų50.449%0.48628%0.278SS..THydrogen-bonded Turntrans-82.3-6.6179.9-69.4179.9-15700113.6T10 R16 R289T10-E14 HydrophobicContact CG2-CG 4.21Å; T10-E14 WeakPolarHBondContact CG2-OE1 3.13Å; T10-E14 WeakPolarHBondContact O-CB 3.48Å; T10-E14 PolarHBondContact O-N 2.77Å; E14-R16 VanDerWaalsContact C-N 3.34Å; E14-R16 HydrophobicContact CB-CG 3.92Å; E14-R16 PolarHBondContact O-N 3.48Å; E14-R16 IonicContact OE1-CZ 3.2Å; E14-R16 IonicContact OE1-NH2 2.86Å; E14-R16 PolarHBondContact OE1-NH2 2.95Å; E14-R16 IonicContact OE2-CZ 3.21Å; E14-R16 IonicContact OE2-NE 3.18Å; E14-R16 PolarHBondContact OE2-NE 2.95Å; E14-R16 IonicContact OE2-NH2 2.7Å; E14-R16 PolarHBondContact OE2-NH2 2.84Å; E14-R289 IonicContact OE2-NH1 2.91Å
15G86.8Confident89.5Confident28 Ų2852.3 Ų52.329%0.28929%0.287SS..THydrogen-bonded Turntrans5843.7-175.900000113A11 L12 V13A11-G15 PolarHBondContact O-N 3.49Å; A11-G15 VanDerWaalsContact O-N 3.07Å; L12-G15 PolarHBondContact O-N 3.42Å; V13-G15 VanDerWaalsContact C-N 3.32Å
16R88.6Confident89.7Confident47 Ų4752.7 Ų52.718%0.17729%0.29CS..  trans-64.1141.2-174.3-66.9-174.7179.2166.2-0.9111.9A11 E14A11-R16 HydrophobicContact CB-CB 4.24Å; A11-R16 HydrophobicContact CB-CG 4.34Å; A11-R16 PolarHBondContact O-N 2.94Å; E14-R16 VanDerWaalsContact C-N 3.34Å; E14-R16 HydrophobicContact CB-CG 3.92Å; E14-R16 PolarHBondContact O-N 3.48Å; E14-R16 IonicContact OE1-CZ 3.2Å; E14-R16 IonicContact OE1-NH2 2.86Å; E14-R16 PolarHBondContact OE1-NH2 2.95Å; E14-R16 IonicContact OE2-CZ 3.21Å; E14-R16 IonicContact OE2-NE 3.18Å; E14-R16 PolarHBondContact OE2-NE 2.95Å; E14-R16 IonicContact OE2-NH2 2.7Å; E14-R16 PolarHBondContact OE2-NH2 2.84Å
17H90.3Very high89.9Confident67 Ų6749.8 Ų49.831%0.3127%0.269SS..SBendtrans-90.4-6.9173.3-58.785.9000112.8K44 N46 F47 L555H17-K44 WeakPolarHBondContact CA-O 3.38Å; H17-K44 PolarHBondContact CD2-O 3.39Å; H17-N46 PolarHBondContact O-N 2.58Å; H17-F47 PolarHBondContact O-N 3.13Å; H17-F47 VanDerWaalsContact O-N 3.09Å; H17-L555 HydrophobicContact CB-CD2 4.29Å
18E92.8Very high90Very high37 Ų3751 Ų5117%0.17327%0.274CS..EExtended strand (participates in β ladder)trans-136.5137.5-178.9-52-175.2166.200110.2F47 R562E18-F47 WeakPolarHBondContact CA-O 3.04Å; E18-F47 HydrophobicContact CB-CB 4.18Å; E18-F47 HydrophobicContact CB-CD1 4.29Å; E18-F47 HydrophobicContact CG-CB 3.97Å; E18-R562 WeakPolarHBondContact OE2-CG 3.37Å
19L94.2Very high90Very high2 Ų252.5 Ų52.51%0.0128%0.282CS..EExtended strand (participates in β ladder)trans-138.5124.4176.4-176.958.7000109.1I7 A11 I21 I39 L42 L45 F47 L48 E49I7-L19 HydrophobicContact CD1-CD1 4.34Å; I7-L19 HydrophobicContact CG1-CD1 4.05Å; A11-L19 HydrophobicContact CB-CD1 4.17Å; L19-I21 HydrophobicContact CD1-CD1 4.3Å; L19-I21 HydrophobicContact CD1-CG1 4.13Å; L19-I21 HydrophobicContact CD2-CD1 3.74Å; L19-I21 HydrophobicContact CD2-CG1 4.41Å; L19-I21 HydrophobicContact CG-CD1 3.85Å; L19-I21 HydrophobicContact CG-CG1 3.97Å; L19-I39 HydrophobicContact CD2-CB 4.44Å; L19-I39 HydrophobicContact CD2-CG2 4.03Å; L19-L42 HydrophobicContact CD2-CD1 3.59Å; L19-L45 HydrophobicContact CB-CD1 3.73Å; L19-L45 HydrophobicContact CB-CD2 4.24Å; L19-F47 PolarHBondContact N-O 3.16Å; L19-L48 HydrophobicContact CB-CD1 4.15Å; L19-L48 HydrophobicContact CD2-CD1 4.2Å; L19-L48 HydrophobicContact CG-CD1 4.25Å; L19-L48 WeakPolarHBondContact O-CA 3.34Å; L19-E49 PolarHBondContact O-N 3.32Å
20V93.5Very high90Very high24 Ų2451.8 Ų51.815%0.14528%0.276CS..EExtended strand (participates in β ladder)trans-118.6123.9174.3179.50000107.2I7 F47 E49 R562I7-V20 WeakPolarHBondContact CD1-O 3.38Å; V20-F47 HydrophobicContact CG2-CD1 4.47Å; V20-F47 HydrophobicContact CG2-CE1 3.79Å; V20-E49 CarbonylContact C-O 3.47Å; V20-E49 WeakPolarHBondContact CA-O 3.21Å; V20-E49 HydrophobicContact CB-CB 4.47Å; V20-E49 HydrophobicContact CG1-CB 4.29Å; V20-E49 HydrophobicContact CG1-CG 4.29Å; V20-E49 HydrophobicContact CG2-CB 4.18Å; V20-R562 VanDerWaalsContact CG2-NH1 3.27Å
21I91.8Very high90.1Very high0 Ų057.8 Ų57.80%030%0.302CS..EExtended strand (participates in β ladder)trans-126.293.9-178.4-70.4172000105.8W5 V8 L19 I26 I39 E49 I50 S51W5-I21 HydrophobicContact CH2-CG2 4Å; W5-I21 HydrophobicContact CZ3-CD1 3.99Å; W5-I21 HydrophobicContact CZ3-CG1 4.33Å; W5-I21 HydrophobicContact CZ3-CG2 3.73Å; V8-I21 HydrophobicContact CG2-CD1 4.49Å; L19-I21 HydrophobicContact CD1-CD1 4.3Å; L19-I21 HydrophobicContact CD1-CG1 4.13Å; L19-I21 HydrophobicContact CD2-CD1 3.74Å; L19-I21 HydrophobicContact CD2-CG1 4.41Å; L19-I21 HydrophobicContact CG-CD1 3.85Å; L19-I21 HydrophobicContact CG-CG1 3.97Å; I21-I26 HydrophobicContact CB-CG2 4.4Å; I21-I26 HydrophobicContact CG2-CB 4.44Å; I21-I26 HydrophobicContact CG2-CD1 4.35Å; I21-I26 HydrophobicContact CG2-CG2 3.19Å; I21-I39 HydrophobicContact CD1-CG2 4.21Å; I21-E49 PolarHBondContact N-O 3.38Å; I21-I50 HydrophobicContact CB-CG1 4.25Å; I21-I50 HydrophobicContact CB-CG2 4.47Å; I21-I50 HydrophobicContact CG2-CG2 4.12Å; I21-I50 VanDerWaalsContact O-CA 3.23Å; I21-I50 WeakPolarHBondContact O-CA 3.49Å; I21-S51 PolarHBondContact O-N 3Å; I21-S51 VanDerWaalsContact O-N 3.14Å
22S90.5Very high90.1Very high51 Ų5162.3 Ų62.336%0.35733%0.33SS..EExtended strand (participates in β ladder)trans-144.6158.4-174.764.40000113.6I26 S51S22-I26 VanDerWaalsContact O-CG1 3.3Å; S22-I26 WeakPolarHBondContact O-CG1 3.41Å; S22-S51 WeakPolarHBondContact CA-O 3.32Å; S22-S51 WeakPolarHBondContact CB-O 3.4Å; S22-S51 VanDerWaalsContact CB-OG 3.25Å; S22-S51 WeakPolarHBondContact CB-OG 3.5Å
23G84.8Confident90.1Very high29 Ų2963.9 Ų63.930%0.29934%0.338SS..SBendtrans97.8175.517400000114.9E25 I26 S27 S51G23-E25 PolarHBondContact O-N 3.23Å; G23-I26 PolarHBondContact O-N 3Å; G23-S27 PolarHBondContact O-N 3.36Å; G23-S51 PolarHBondContact N-O 2.8Å
24K87.2Confident90.1Very high163 Ų16359.2 Ų59.271%0.70932%0.316SS*.Hα-helixtrans-64.1-43.3-169-170.4-178.3176.3-170.20113.4I26 S27 E28K24-I26 VanDerWaalsContact C-N 3.34Å; K24-I26 PolarHBondContact O-N 2.9Å; K24-S27 WeakPolarHBondContact O-CB 3.46Å; K24-S27 PolarHBondContact O-N 3.11Å; K24-S27 VanDerWaalsContact O-N 3.14Å; K24-E28 VanDerWaalsContact CE-OE1 3.27Å; K24-E28 WeakPolarHBondContact CE-OE1 3.32Å; K24-E28 WeakPolarHBondContact O-CG 3.24Å; K24-E28 PolarHBondContact O-N 3.06Å
25E87.5Confident90.3Very high158 Ų15855.1 Ų55.174%0.73830%0.297SS*.Hα-helixtrans-62.9-42.7-180-63.7177.4-177.400111.7G23 S27 E28 M29G23-E25 PolarHBondContact O-N 3.23Å; E25-S27 VanDerWaalsContact C-N 3.34Å; E25-E28 PolarHBondContact O-N 3.38Å; E25-M29 WeakPolarHBondContact O-CG 3.29Å; E25-M29 PolarHBondContact O-N 3.07Å
26I89.9Confident90.5Very high20 Ų2054.8 Ų54.810%0.10329%0.289CS..Hα-helixtrans-62.4-43.4173.4-66.8-66.7000110.3W5 I21 S22 G23 K24 E28 M29 I30 T53W5-I26 HydrophobicContact CH2-CG2 4.39Å; W5-I26 HydrophobicContact CZ3-CD1 4.45Å; I21-I26 HydrophobicContact CB-CG2 4.4Å; I21-I26 HydrophobicContact CG2-CB 4.44Å; I21-I26 HydrophobicContact CG2-CD1 4.35Å; I21-I26 HydrophobicContact CG2-CG2 3.19Å; S22-I26 VanDerWaalsContact O-CG1 3.3Å; S22-I26 WeakPolarHBondContact O-CG1 3.41Å; G23-I26 PolarHBondContact O-N 3Å; K24-I26 VanDerWaalsContact C-N 3.34Å; K24-I26 PolarHBondContact O-N 2.9Å; I26-E28 PolarHBondContact O-N 2.69Å; I26-M29 HydrophobicContact CD1-CE 3.51Å; I26-M29 HydrophobicContact CG1-CE 4.38Å; I26-M29 CarbonylContact O-C 3.59Å; I26-M29 WeakPolarHBondContact O-CB 3.42Å; I26-M29 PolarHBondContact O-N 3.19Å; I26-M29 VanDerWaalsContact O-N 3.14Å; I26-I30 HydrophobicContact CG2-CD1 3.91Å; I26-I30 HydrophobicContact CG2-CG1 4.43Å; I26-I30 WeakPolarHBondContact O-CG1 3.3Å; I26-I30 PolarHBondContact O-N 2.96Å; I26-T53 HydrophobicContact CG2-CG2 3.86Å
27S91.2Very high90.7Very high23 Ų2356.9 Ų56.916%0.16130%0.3CS..Hα-helixtrans-59.1-46.3176.5-166.70000111.7G23 K24 E25 M29 I30 E31 C54G23-S27 PolarHBondContact O-N 3.36Å; K24-S27 WeakPolarHBondContact O-CB 3.46Å; K24-S27 PolarHBondContact O-N 3.11Å; K24-S27 VanDerWaalsContact O-N 3.14Å; E25-S27 VanDerWaalsContact C-N 3.34Å; S27-M29 VanDerWaalsContact C-N 3.26Å; S27-M29 PolarHBondContact O-N 2.93Å; S27-I30 PolarHBondContact O-N 3.41Å; S27-E31 WeakPolarHBondContact O-CB 3.28Å; S27-E31 PolarHBondContact O-N 3.22Å; S27-C54 PolarHBondContact O-SG 3.13Å; S27-C54 WeakPolarHBondContact OG-CB 3.41Å; S27-C54 PolarHBondContact OG-N 3.28Å; S27-C54 PolarHBondContact OG-SG 3.35Å
28E90.3Very high90.9Very high75 Ų7557.3 Ų57.335%0.3530%0.3SS..Hα-helixtrans-61.8-35.3175.7-70173.2-16700111.5K24 E25 I26 T32K24-E28 VanDerWaalsContact CE-OE1 3.27Å; K24-E28 WeakPolarHBondContact CE-OE1 3.32Å; K24-E28 WeakPolarHBondContact O-CG 3.24Å; K24-E28 PolarHBondContact O-N 3.06Å; E25-E28 PolarHBondContact O-N 3.38Å; I26-E28 PolarHBondContact O-N 2.69Å; E28-T32 WeakPolarHBondContact O-CB 3.46Å; E28-T32 WeakPolarHBondContact O-CG2 3.43Å; E28-T32 PolarHBondContact O-N 2.7Å; E28-T32 PolarHBondContact O-OG1 3.06Å
29M90Very high91Very high31 Ų3155.6 Ų55.615%0.15329%0.291CS..Hα-helixtrans-68.9-40.3173.5-72.9-168.1-6300112.8W5 E25 I26 S27 E31 T32 L33W5-M29 HydrophobicContact CZ2-CB 4.5Å; E25-M29 WeakPolarHBondContact O-CG 3.29Å; E25-M29 PolarHBondContact O-N 3.07Å; I26-M29 HydrophobicContact CD1-CE 3.51Å; I26-M29 HydrophobicContact CG1-CE 4.38Å; I26-M29 CarbonylContact O-C 3.59Å; I26-M29 WeakPolarHBondContact O-CB 3.42Å; I26-M29 PolarHBondContact O-N 3.19Å; I26-M29 VanDerWaalsContact O-N 3.14Å; S27-M29 VanDerWaalsContact C-N 3.26Å; S27-M29 PolarHBondContact O-N 2.93Å; M29-E31 VanDerWaalsContact C-N 3.33Å; M29-T32 WeakPolarHBondContact CA-OG1 3.3Å; M29-T32 PolarHBondContact O-N 2.86Å; M29-T32 PolarHBondContact O-OG1 3.38Å; M29-L33 WeakPolarHBondContact O-CB 3.24Å; M29-L33 PolarHBondContact O-N 3.21Å
30I91.9Very high91Very high13 Ų1355.6 Ų55.67%0.06729%0.291CS..Hα-helixtrans-65.1-39.5174.9-69169.9000110.5W5 I26 S27 G34 L35 I50 T53 L55W5-I30 HydrophobicContact CH2-CD1 4.18Å; W5-I30 HydrophobicContact CH2-CG1 3.64Å; W5-I30 HydrophobicContact CZ2-CG1 3.75Å; I26-I30 HydrophobicContact CG2-CD1 3.91Å; I26-I30 HydrophobicContact CG2-CG1 4.43Å; I26-I30 WeakPolarHBondContact O-CG1 3.3Å; I26-I30 PolarHBondContact O-N 2.96Å; S27-I30 PolarHBondContact O-N 3.41Å; I30-G34 WeakPolarHBondContact O-CA 3.35Å; I30-G34 PolarHBondContact O-N 3.28Å; I30-L35 HydrophobicContact CD1-CD1 4.39Å; I30-I50 HydrophobicContact CD1-CG2 4.41Å; I30-T53 HydrophobicContact CD1-CG2 3.96Å; I30-L55 HydrophobicContact CG2-CD1 4.12Å
31E91.3Very high91Very high148 Ų14858.6 Ų58.669%0.69231%0.306SS*.Hα-helixtrans-64.3-40177.1-170.5174.7-174.500112S27 M29S27-E31 WeakPolarHBondContact O-CB 3.28Å; S27-E31 PolarHBondContact O-N 3.22Å; M29-E31 VanDerWaalsContact C-N 3.33Å
32T90.2Very high91Very high96 Ų9659 Ų5959%0.58931%0.308SS*.Hα-helixtrans-87.6-36.3-174.951.10000114.4E28 M29E28-T32 WeakPolarHBondContact O-CB 3.46Å; E28-T32 WeakPolarHBondContact O-CG2 3.43Å; E28-T32 PolarHBondContact O-N 2.7Å; E28-T32 PolarHBondContact O-OG1 3.06Å; M29-T32 WeakPolarHBondContact CA-OG1 3.3Å; M29-T32 PolarHBondContact O-N 2.86Å; M29-T32 PolarHBondContact O-OG1 3.38Å
33L89.6Confident91Very high96 Ų9661 Ų6150%0.50331%0.311SS..Hα-helixtrans-116.3-12-172.7-58.1173.2000113.4R3 M29R3-L33 HydrophobicContact CB-CD1 4.17Å; R3-L33 WeakPolarHBondContact O-CD1 3.19Å; M29-L33 WeakPolarHBondContact O-CB 3.24Å; M29-L33 PolarHBondContact O-N 3.21Å
34G90.7Very high91.3Very high31 Ų3165.8 Ų65.832%0.3232%0.323SS..  trans74.2172-164.700000112.6W5 I30 D36W5-G34 WeakPolarHBondContact CZ2-O 3.33Å; W5-G34 PolarHBondContact NE1-O 3.47Å; I30-G34 WeakPolarHBondContact O-CA 3.35Å; I30-G34 PolarHBondContact O-N 3.28Å; G34-D36 PolarHBondContact O-N 3.09Å
35L92.7Very high91.6Very high18 Ų1858 Ų589%0.09429%0.29CS..  trans-72.1126.7173.6-175.464.8000110.1W5 I30 Q37 I39 I50 L55 L58W5-L35 HydrophobicContact CH2-CD1 3.86Å; W5-L35 HydrophobicContact CZ2-CD1 4.33Å; W5-L35 HydrophobicContact CZ3-CD1 4.48Å; I30-L35 HydrophobicContact CD1-CD1 4.39Å; L35-Q37 PolarHBondContact O-N 3.15Å; L35-Q37 PolarHBondContact O-NE2 3.46Å; L35-Q37 VanDerWaalsContact O-NE2 3.07Å; L35-I39 HydrophobicContact CD1-CD1 4.09Å; L35-I39 HydrophobicContact CD2-CD1 3.59Å; L35-I39 HydrophobicContact CG-CD1 3.77Å; L35-I50 HydrophobicContact CD1-CD1 4.14Å; L35-I50 HydrophobicContact CD2-CD1 3.9Å; L35-L55 HydrophobicContact CB-CD1 4Å; L35-L55 HydrophobicContact CD2-CD1 3.94Å; L35-L55 HydrophobicContact CD2-CD2 4.29Å; L35-L55 HydrophobicContact CG-CD1 4.49Å; L35-L58 HydrophobicContact CD2-CD1 4.24Å
36D92.4Very high91.8Very high22 Ų2251.6 Ų51.612%0.11826%0.261CS..  trans-60.5118.2179.3-170.8-13.1000111.1W5 V8 G34 R38 I39W5-D36 HydrophobicContact CB-CB 4.05Å; W5-D36 VanDerWaalsContact CB-OD2 3.24Å; W5-D36 WeakPolarHBondContact CB-OD2 3.5Å; W5-D36 HydrophobicContact CD2-CB 3.73Å; W5-D36 HydrophobicContact CE3-CB 4.4Å; W5-D36 HydrophobicContact CG-CB 3.57Å; V8-D36 HydrophobicContact CG2-CB 4.27Å; G34-D36 PolarHBondContact O-N 3.09Å; D36-R38 PolarHBondContact O-N 3.48Å; D36-R38 VanDerWaalsContact OD1-CB 3.29Å; D36-R38 WeakPolarHBondContact OD1-CB 3.18Å; D36-R38 VanDerWaalsContact OD1-CG 3.24Å; D36-R38 WeakPolarHBondContact OD1-CG 3.26Å; D36-R38 PolarHBondContact OD1-N 3.39Å; D36-R38 IonicContact OD1-NE 2.96Å; D36-R38 PolarHBondContact OD1-NE 3.4Å; D36-R38 IonicContact OD2-CZ 2.94Å; D36-R38 IonicContact OD2-NE 3.9Å; D36-R38 PolarHBondContact OD2-NE 3.45Å; D36-R38 IonicContact OD2-NH2 2.69Å; D36-R38 PolarHBondContact OD2-NH2 3.11Å; D36-I39 VanDerWaalsContact O-CG1 3.28Å; D36-I39 WeakPolarHBondContact O-CG1 3.34Å; D36-I39 WeakPolarHBondContact O-CG2 3.16Å; D36-I39 PolarHBondContact O-N 3.38Å
37Q92.7Very high92.1Very high90 Ų9051.6 Ų51.642%0.42126%0.26SS..G310 helixtrans-67.5-19.1-178.6-58.5-61.8-57.500112.5L35 I39 Y40L35-Q37 PolarHBondContact O-N 3.15Å; L35-Q37 PolarHBondContact O-NE2 3.46Å; L35-Q37 VanDerWaalsContact O-NE2 3.07Å; Q37-I39 PolarHBondContact O-N 3.29Å; Q37-I39 VanDerWaalsContact O-N 3.09Å; Q37-Y40 HydrophobicContact CB-CD2 4.4Å; Q37-Y40 WeakPolarHBondContact O-CD2 3.23Å; Q37-Y40 PolarHBondContact O-N 2.8Å; Q37-Y40 VanDerWaalsContact O-N 3.1Å; Q37-Y40 VanDerWaalsContact OE1-CE2 3.29Å
38R93.5Very high92.3Very high77 Ų7750.5 Ų50.529%0.29125%0.252SS..G310 helixtrans-63.9-15177.4-59.6178.8-64.8175.65.9112.7E4 V8 S9 L12 D36 Y40 D41E4-R38 IonicContact OE1-CZ 3.32Å; E4-R38 IonicContact OE1-NH1 3.07Å; E4-R38 PolarHBondContact OE1-NH1 2.72Å; E4-R38 IonicContact OE1-NH2 2.77Å; V8-R38 HydrophobicContact CG1-CB 3.95Å; S9-R38 PolarHBondContact OG-NH1 3.19Å; S9-R38 PolarHBondContact OG-NH2 2.83Å; L12-R38 HydrophobicContact CD1-CB 3.92Å; D36-R38 PolarHBondContact O-N 3.48Å; D36-R38 VanDerWaalsContact OD1-CB 3.29Å; D36-R38 WeakPolarHBondContact OD1-CB 3.18Å; D36-R38 VanDerWaalsContact OD1-CG 3.24Å; D36-R38 WeakPolarHBondContact OD1-CG 3.26Å; D36-R38 PolarHBondContact OD1-N 3.39Å; D36-R38 IonicContact OD1-NE 2.96Å; D36-R38 PolarHBondContact OD1-NE 3.4Å; D36-R38 IonicContact OD2-CZ 2.94Å; D36-R38 IonicContact OD2-NE 3.9Å; D36-R38 PolarHBondContact OD2-NE 3.45Å; D36-R38 IonicContact OD2-NH2 2.69Å; D36-R38 PolarHBondContact OD2-NH2 3.11Å; R38-Y40 PolarHBondContact O-N 2.84Å; R38-D41 WeakPolarHBondContact O-CB 3.25Å; R38-D41 PolarHBondContact O-N 3.23Å; R38-D41 VanDerWaalsContact O-N 3.1Å
39I94.2Very high92.6Very high0 Ų049.2 Ų49.20%025%0.246CC..G310 helixtrans-57.9-32.2172.269.6-179.3000111.9V8 L19 I21 L35 D36 Q37 D41 L42 I50V8-I39 HydrophobicContact CB-CG2 4.46Å; V8-I39 HydrophobicContact CG1-CG2 3.92Å; V8-I39 HydrophobicContact CG2-CG2 3.62Å; L19-I39 HydrophobicContact CD2-CB 4.44Å; L19-I39 HydrophobicContact CD2-CG2 4.03Å; I21-I39 HydrophobicContact CD1-CG2 4.21Å; L35-I39 HydrophobicContact CD1-CD1 4.09Å; L35-I39 HydrophobicContact CD2-CD1 3.59Å; L35-I39 HydrophobicContact CG-CD1 3.77Å; D36-I39 VanDerWaalsContact O-CG1 3.28Å; D36-I39 WeakPolarHBondContact O-CG1 3.34Å; D36-I39 WeakPolarHBondContact O-CG2 3.16Å; D36-I39 PolarHBondContact O-N 3.38Å; Q37-I39 PolarHBondContact O-N 3.29Å; Q37-I39 VanDerWaalsContact O-N 3.09Å; I39-D41 PolarHBondContact O-N 3.14Å; I39-L42 WeakPolarHBondContact O-CB 3.33Å; I39-L42 PolarHBondContact O-N 2.91Å; I39-I50 HydrophobicContact CD1-CD1 4.49Å
40Y94.5Very high92.9Very high2 Ų247.7 Ų47.71%0.00824%0.239CC..G310 helixtrans-76.5-5.3-178.4-52.5-63.5000113.1Q37 R38 K43 S59 D61 I62 K64Q37-Y40 HydrophobicContact CB-CD2 4.4Å; Q37-Y40 WeakPolarHBondContact O-CD2 3.23Å; Q37-Y40 PolarHBondContact O-N 2.8Å; Q37-Y40 VanDerWaalsContact O-N 3.1Å; Q37-Y40 VanDerWaalsContact OE1-CE2 3.29Å; R38-Y40 PolarHBondContact O-N 2.84Å; Y40-K43 PolarHBondContact O-NZ 3.44Å; Y40-S59 WeakPolarHBondContact OH-CB 3.1Å; Y40-S59 PolarHBondContact OH-N 3.1Å; Y40-D61 HydrophobicContact CD1-CB 4.19Å; Y40-D61 WeakPolarHBondContact CD1-O 3.46Å; Y40-D61 HydrophobicContact CD2-CB 3.69Å; Y40-D61 HydrophobicContact CE2-CB 4.18Å; Y40-D61 HydrophobicContact CG-CB 3.72Å; Y40-I62 HydrophobicContact CD1-CD1 4.42Å; Y40-I62 HydrophobicContact CE1-CB 4.16Å; Y40-I62 HydrophobicContact CE1-CD1 3.99Å; Y40-K64 WeakPolarHBondContact O-CB 3.25Å
41D93.9Very high93Very high87 Ų8747.1 Ų47.147%0.46524%0.236SC..G310 helixtrans-90.1-8.9174.1-62.8-35.1000112.7L12 R38 I39 K43L12-D41 HydrophobicContact CD2-CB 4.14Å; R38-D41 WeakPolarHBondContact O-CB 3.25Å; R38-D41 PolarHBondContact O-N 3.23Å; R38-D41 VanDerWaalsContact O-N 3.1Å; I39-D41 PolarHBondContact O-N 3.14Å; D41-K43 PolarHBondContact O-N 2.88Å
42L92.9Very high93.1Very high8 Ų845.9 Ų45.94%0.04223%0.23CC..  trans-7469.4174.8-66162.3000111.4A11 L12 L19 I39 K44 L45 L65A11-L42 HydrophobicContact CB-CD1 4.15Å; A11-L42 HydrophobicContact CB-CD2 3.99Å; A11-L42 WeakPolarHBondContact O-CD2 3.39Å; L12-L42 HydrophobicContact CB-CD2 4.46Å; L12-L42 HydrophobicContact CD2-CD2 3.71Å; L12-L42 HydrophobicContact CD2-CG 3.94Å; L12-L42 HydrophobicContact CG-CD2 3.92Å; L12-L42 HydrophobicContact CG-CG 4.35Å; L19-L42 HydrophobicContact CD2-CD1 3.59Å; I39-L42 WeakPolarHBondContact O-CB 3.33Å; I39-L42 PolarHBondContact O-N 2.91Å; L42-K44 PolarHBondContact O-N 2.69Å; L42-L45 HydrophobicContact CB-CB 4Å; L42-L45 HydrophobicContact CB-CD1 4.46Å; L42-L45 HydrophobicContact CD1-CD1 4.38Å; L42-L45 WeakPolarHBondContact O-CB 3.09Å; L42-L45 PolarHBondContact O-N 2.98Å; L42-L65 HydrophobicContact CB-CD2 4.49Å; L42-L65 WeakPolarHBondContact O-CD2 3.4Å
43K90.6Very high93.3Very high93 Ų9341.7 Ų41.740%0.40420%0.204SC..THydrogen-bonded Turntrans-59.9-21-174.8-54.7-53.3179-164.50115Y40 D41 L45 K64 N67Y40-K43 PolarHBondContact O-NZ 3.44Å; D41-K43 PolarHBondContact O-N 2.88Å; K43-L45 VanDerWaalsContact C-N 3.34Å; K43-K64 WeakPolarHBondContact CD-O 3.35Å; K43-N67 PolarHBondContact O-ND2 2.94Å
44K89.5Confident93.5Very high130 Ų13038.9 Ų38.957%0.56519%0.192SC*.THydrogen-bonded Turntrans-89.82.3177.4-61.6-173.9-180-178.60113.2H17 L42 N46H17-K44 WeakPolarHBondContact CA-O 3.38Å; H17-K44 PolarHBondContact CD2-O 3.39Å; L42-K44 PolarHBondContact O-N 2.69Å; K44-N46 PolarHBondContact O-N 2.86Å; K44-N46 PolarHBondContact O-OD1 3.23Å
45L93.8Very high93.7Very high0 Ų037.7 Ų37.70%018%0.178CC..  trans-69.8122-176.3-158.174.3000110.6L19 L42 K43 L48 L65 N67 L68L19-L45 HydrophobicContact CB-CD1 3.73Å; L19-L45 HydrophobicContact CB-CD2 4.24Å; L42-L45 HydrophobicContact CB-CB 4Å; L42-L45 HydrophobicContact CB-CD1 4.46Å; L42-L45 HydrophobicContact CD1-CD1 4.38Å; L42-L45 WeakPolarHBondContact O-CB 3.09Å; L42-L45 PolarHBondContact O-N 2.98Å; K43-L45 VanDerWaalsContact C-N 3.34Å; L45-L48 HydrophobicContact CD2-CB 3.78Å; L45-L48 HydrophobicContact CD2-CD1 4.07Å; L45-L48 HydrophobicContact CD2-CD2 4.43Å; L45-L48 HydrophobicContact CD2-CG 4.3Å; L45-L65 HydrophobicContact CB-CD2 4.39Å; L45-L65 HydrophobicContact CD2-CD1 4.1Å; L45-N67 CarbonylContact O-C 3.55Å; L45-L68 HydrophobicContact CD2-CD1 4.23Å; L45-L68 HydrophobicContact CG-CD1 4.25Å; L45-L68 WeakPolarHBondContact O-CA 3.27Å; L45-L68 PolarHBondContact O-N 3.13Å
46N92.5Very high93.8Very high24 Ų2441.3 Ų41.313%0.12820%0.195CC..  trans-105.7-26177.2-71.33.4000111.9H17 K44 N67 A69 Q70 L555H17-N46 PolarHBondContact O-N 2.58Å; K44-N46 PolarHBondContact O-N 2.86Å; K44-N46 PolarHBondContact O-OD1 3.23Å; N46-N67 PolarHBondContact OD1-O 3.19Å; N46-A69 WeakPolarHBondContact O-CA 3.26Å; N46-A69 PolarHBondContact O-N 2.74Å; N46-Q70 PolarHBondContact O-N 2.92Å; N46-L555 WeakPolarHBondContact ND2-CB 3.37Å
47F95.2Very high93.8Very high20 Ų2047.3 Ų47.39%0.08822%0.22CC..EExtended strand (participates in β ladder)trans-130121.8178.8179.4-86.5000110.1H17 E18 L19 V20 E49 Q70H17-F47 PolarHBondContact O-N 3.13Å; H17-F47 VanDerWaalsContact O-N 3.09Å; E18-F47 WeakPolarHBondContact CA-O 3.04Å; E18-F47 HydrophobicContact CB-CB 4.18Å; E18-F47 HydrophobicContact CB-CD1 4.29Å; E18-F47 HydrophobicContact CG-CB 3.97Å; L19-F47 PolarHBondContact N-O 3.16Å; V20-F47 HydrophobicContact CG2-CD1 4.47Å; V20-F47 HydrophobicContact CG2-CE1 3.79Å; F47-E49 HydrophobicContact CE1-CB 3.54Å; F47-E49 HydrophobicContact CZ-CB 3.78Å; F47-Q70 WeakPolarHBondContact CA-O 3.34Å; F47-Q70 HydrophobicContact CD2-CB 3.63Å; F47-Q70 HydrophobicContact CD2-CG 4.36Å; F47-Q70 HydrophobicContact CE2-CB 4.22Å
48L96.8Very high93.9Very high0 Ų043.7 Ų43.70%020%0.203CC..EExtended strand (participates in β ladder)trans-124.2120.9172.117957.9000109L19 L45 I50 I62 L65 L68 Q70 L71 C72L19-L48 HydrophobicContact CB-CD1 4.15Å; L19-L48 HydrophobicContact CD2-CD1 4.2Å; L19-L48 HydrophobicContact CG-CD1 4.25Å; L19-L48 WeakPolarHBondContact O-CA 3.34Å; L45-L48 HydrophobicContact CD2-CB 3.78Å; L45-L48 HydrophobicContact CD2-CD1 4.07Å; L45-L48 HydrophobicContact CD2-CD2 4.43Å; L45-L48 HydrophobicContact CD2-CG 4.3Å; L48-I50 HydrophobicContact CD1-CD1 4.41Å; L48-I50 HydrophobicContact CD1-CG1 4.06Å; L48-I50 HydrophobicContact CD2-CD1 4.48Å; L48-I50 HydrophobicContact CG-CG1 4.32Å; L48-I62 HydrophobicContact CD2-CD1 3.99Å; L48-L65 HydrophobicContact CD2-CD1 4.03Å; L48-L68 HydrophobicContact CB-CD1 3.77Å; L48-L68 HydrophobicContact CB-CD2 4.37Å; L48-Q70 PolarHBondContact N-O 2.78Å; L48-L71 HydrophobicContact CB-CD1 4.05Å; L48-L71 HydrophobicContact CD2-CD1 3.96Å; L48-L71 HydrophobicContact CG-CD1 4.05Å; L48-L71 WeakPolarHBondContact O-CA 3.48Å; L48-C72 PolarHBondContact O-N 2.82Å
49E96.6Very high94Very high47 Ų4741.5 Ų41.522%0.2220%0.2CC..EExtended strand (participates in β ladder)trans-118.4124.1169.4179.6179.6170.600109.7L19 V20 I21 F47 S51 C72L19-E49 PolarHBondContact O-N 3.32Å; V20-E49 CarbonylContact C-O 3.47Å; V20-E49 WeakPolarHBondContact CA-O 3.21Å; V20-E49 HydrophobicContact CB-CB 4.47Å; V20-E49 HydrophobicContact CG1-CB 4.29Å; V20-E49 HydrophobicContact CG1-CG 4.29Å; V20-E49 HydrophobicContact CG2-CB 4.18Å; I21-E49 PolarHBondContact N-O 3.38Å; F47-E49 HydrophobicContact CE1-CB 3.54Å; F47-E49 HydrophobicContact CZ-CB 3.78Å; E49-S51 PolarHBondContact OE1-OG 3.38Å; E49-C72 CarbonylContact C-O 3.53Å; E49-C72 VanDerWaalsContact CA-O 3.27Å; E49-C72 WeakPolarHBondContact CA-O 3.3Å; E49-C72 HydrophobicContact CB-CB 4.14Å; E49-C72 HydrophobicContact CG-CB 3.99Å
50I95.8Very high94Very high0 Ų044.8 Ų44.80%022%0.215CC..EExtended strand (participates in β ladder)trans-123.4104.5165.7-49.9174.1000106.5I21 I30 L35 I39 L48 T53 L55 C72 L73 N76I21-I50 HydrophobicContact CB-CG1 4.25Å; I21-I50 HydrophobicContact CB-CG2 4.47Å; I21-I50 HydrophobicContact CG2-CG2 4.12Å; I21-I50 VanDerWaalsContact O-CA 3.23Å; I21-I50 WeakPolarHBondContact O-CA 3.49Å; I30-I50 HydrophobicContact CD1-CG2 4.41Å; L35-I50 HydrophobicContact CD1-CD1 4.14Å; L35-I50 HydrophobicContact CD2-CD1 3.9Å; I39-I50 HydrophobicContact CD1-CD1 4.49Å; L48-I50 HydrophobicContact CD1-CD1 4.41Å; L48-I50 HydrophobicContact CD1-CG1 4.06Å; L48-I50 HydrophobicContact CD2-CD1 4.48Å; L48-I50 HydrophobicContact CG-CG1 4.32Å; I50-T53 HydrophobicContact CG2-CG2 4.13Å; I50-L55 HydrophobicContact CD1-CD2 4.27Å; I50-L55 HydrophobicContact CG2-CD2 4.21Å; I50-C72 PolarHBondContact N-O 2.95Å; I50-L73 HydrophobicContact CB-CD2 3.74Å; I50-L73 HydrophobicContact CD1-CD2 4.03Å; I50-L73 HydrophobicContact CG1-CD2 4.02Å; I50-L73 CarbonylContact O-C 3.34Å; I50-L73 VanDerWaalsContact O-CA 3.27Å; I50-L73 WeakPolarHBondContact O-CA 3.1Å; I50-N76 PolarHBondContact O-ND2 2.87Å
51S94.4Very high94Very high1 Ų147.2 Ų47.21%0.00723%0.228CC..EExtended strand (participates in β ladder)trans-134.7148.3-170.462.30000112.9I21 S22 G23 E49 T53 T74I21-S51 PolarHBondContact O-N 3Å; I21-S51 VanDerWaalsContact O-N 3.14Å; S22-S51 WeakPolarHBondContact CA-O 3.32Å; S22-S51 WeakPolarHBondContact CB-O 3.4Å; S22-S51 VanDerWaalsContact CB-OG 3.25Å; S22-S51 WeakPolarHBondContact CB-OG 3.5Å; G23-S51 PolarHBondContact N-O 2.8Å; E49-S51 PolarHBondContact OE1-OG 3.38Å; S51-T53 WeakPolarHBondContact O-CG2 3.43Å; S51-T53 PolarHBondContact O-N 3Å; S51-T74 VanDerWaalsContact CA-O 3.26Å; S51-T74 WeakPolarHBondContact CA-O 3.44Å
52H92Very high94.1Very high121 Ų12143 Ų4356%0.5621%0.206SC*.SBendtrans57.146.1180-53.8-74000113.5T74 S75H52-T74 PolarHBondContact N-O 3.41Å; H52-S75 WeakPolarHBondContact CA-O 3.38Å; H52-S75 PolarHBondContact N-O 2.78Å; H52-S75 WeakPolarHBondContact ND1-CB 3.47Å
53T94.3Very high94.1Very high9 Ų944.3 Ų44.36%0.05522%0.215CC..SBendtrans-127.4174.7178.382.80000112.2I26 I30 I50 S51 L55 S75 N76I26-T53 HydrophobicContact CG2-CG2 3.86Å; I30-T53 HydrophobicContact CD1-CG2 3.96Å; I50-T53 HydrophobicContact CG2-CG2 4.13Å; S51-T53 WeakPolarHBondContact O-CG2 3.43Å; S51-T53 PolarHBondContact O-N 3Å; T53-L55 VanDerWaalsContact C-N 3.27Å; T53-L55 PolarHBondContact O-N 2.94Å; T53-L55 WeakPolarHBondContact OG1-CB 3.35Å; T53-L55 PolarHBondContact OG1-N 3.15Å; T53-S75 PolarHBondContact N-O 3.43Å; T53-N76 WeakPolarHBondContact CA-OD1 3.42Å; T53-N76 WeakPolarHBondContact CB-OD1 3.38Å; T53-N76 PolarHBondContact N-OD1 3.07Å; T53-N76 VanDerWaalsContact N-OD1 3.11Å; T53-N76 WeakPolarHBondContact O-CA 3.33Å; T53-N76 PolarHBondContact O-OD1 3.36Å; T53-N76 PolarHBondContact OG1-OD1 3.16Å
54C93.7Very high94.3Very high36 Ų3643.8 Ų43.824%0.24321%0.213CC..  trans-8719.1174.766.30000113.9S27 E56S27-C54 PolarHBondContact O-SG 3.13Å; S27-C54 WeakPolarHBondContact OG-CB 3.41Å; S27-C54 PolarHBondContact OG-N 3.28Å; S27-C54 PolarHBondContact OG-SG 3.35Å; C54-E56 PolarHBondContact O-N 3.27Å; C54-E56 VanDerWaalsContact O-N 3.11Å
55L95.2Very high94.6Very high6 Ų637.6 Ų37.63%0.03119%0.186CC..  trans-60.6115.6-176.8-172.470.7000111.6I30 L35 I50 T53 F57 L58 N76 M77 L78I30-L55 HydrophobicContact CG2-CD1 4.12Å; L35-L55 HydrophobicContact CB-CD1 4Å; L35-L55 HydrophobicContact CD2-CD1 3.94Å; L35-L55 HydrophobicContact CD2-CD2 4.29Å; L35-L55 HydrophobicContact CG-CD1 4.49Å; I50-L55 HydrophobicContact CD1-CD2 4.27Å; I50-L55 HydrophobicContact CG2-CD2 4.21Å; T53-L55 VanDerWaalsContact C-N 3.27Å; T53-L55 PolarHBondContact O-N 2.94Å; T53-L55 WeakPolarHBondContact OG1-CB 3.35Å; T53-L55 PolarHBondContact OG1-N 3.15Å; L55-F57 WeakPolarHBondContact CD1-O 3.13Å; L55-L58 HydrophobicContact CD2-CD1 4.39Å; L55-N76 HydrophobicContact CB-CB 4.11Å; L55-M77 CarbonylContact O-C 3.22Å; L55-M77 WeakPolarHBondContact O-CA 3.36Å; L55-M77 PolarHBondContact O-N 3.33Å; L55-L78 HydrophobicContact CD2-CD2 4.02Å; L55-L78 HydrophobicContact CG-CD2 4Å; L55-L78 PolarHBondContact O-N 3.11Å; L55-L78 VanDerWaalsContact O-N 3.13Å
56E94.4Very high94.6Very high94 Ų9440.7 Ų40.744%0.43921%0.208SC..  trans-94.1-26-177.5-64.3-159.8177.500114.5C54 M77 L78 K79C54-E56 PolarHBondContact O-N 3.27Å; C54-E56 VanDerWaalsContact O-N 3.11Å; E56-M77 HydrophobicContact CG-CB 4.19Å; E56-L78 WeakPolarHBondContact O-CA 3.4Å; E56-K79 PolarHBondContact O-N 3.33Å; E56-K79 VanDerWaalsContact O-N 3.15Å; E56-K79 IonicContact OE1-NZ 3.54Å; E56-K79 IonicContact OE2-NZ 3.71Å; E56-K79 PolarHBondContact OE2-NZ 2.99Å
57F94.2Very high94.6Very high149 Ų14941.8 Ų41.865%0.65421%0.214SC*.  trans-146.3150.9-18063.7-88.4000110.6L55L55-F57 WeakPolarHBondContact CD1-O 3.13Å
58L94.3Very high94.6Very high13 Ų1340.9 Ų40.97%0.06821%0.21CC..  trans-112.8139.2171.7-170.870.7000108.5L35 L55 I62 L73 L78 P82L35-L58 HydrophobicContact CD2-CD1 4.24Å; L55-L58 HydrophobicContact CD2-CD1 4.39Å; L58-I62 HydrophobicContact CD2-CB 4.14Å; L58-I62 HydrophobicContact CD2-CD1 4.04Å; L58-I62 HydrophobicContact CD2-CG1 3.94Å; L58-I62 HydrophobicContact CD2-CG2 4.45Å; L58-I62 HydrophobicContact CG-CB 4.45Å; L58-L73 HydrophobicContact CD2-CD1 3.68Å; L58-L78 HydrophobicContact CB-CD2 4.41Å; L58-P82 HydrophobicContact CB-CG 4.17Å; L58-P82 HydrophobicContact CD2-CG 3.95Å; L58-P82 HydrophobicContact CG-CG 4.31Å
59S94.7Very high94.6Very high31 Ų3141.8 Ų41.822%0.21722%0.218CC..  trans-71.1148.8-178.9-172.10000111.6Y40 D61 I62Y40-S59 WeakPolarHBondContact OH-CB 3.1Å; Y40-S59 PolarHBondContact OH-N 3.1Å; S59-D61 PolarHBondContact O-N 3.24Å; S59-D61 VanDerWaalsContact O-N 3.16Å; S59-D61 PolarHBondContact OG-N 3.09Å; S59-I62 WeakPolarHBondContact O-CB 3.39Å; S59-I62 WeakPolarHBondContact O-CG2 3.29Å; S59-I62 PolarHBondContact O-N 3.32Å
60E94.8Very high94.6Very high70 Ų7042.8 Ų42.833%0.32722%0.222SC..G310 helixtrans-62.3-17170.6-65.7-62.8158.200112.6I62 S63 P82 T83 N84E60-I62 PolarHBondContact O-N 2.8Å; E60-I62 VanDerWaalsContact O-N 3.12Å; E60-S63 PolarHBondContact O-N 3Å; E60-S63 PolarHBondContact O-OG 2.83Å; E60-P82 WeakPolarHBondContact OE1-CA 3.15Å; E60-P82 VanDerWaalsContact OE1-CB 3.32Å; E60-P82 WeakPolarHBondContact OE1-CB 3.41Å; E60-T83 PolarHBondContact OE1-N 2.85Å; E60-T83 PolarHBondContact OE1-OG1 2.85Å; E60-T83 PolarHBondContact OE2-N 2.77Å; E60-T83 VanDerWaalsContact OE2-N 3.14Å; E60-T83 PolarHBondContact OE2-OG1 3.42Å; E60-N84 WeakPolarHBondContact OE2-CB 3.37Å; E60-N84 PolarHBondContact OE2-N 3.1Å; E60-N84 PolarHBondContact OE2-OD1 3.37Å
61D95.5Very high94.7Very high52 Ų5242.9 Ų42.928%0.27822%0.222SC..G310 helixtrans-63.3-8.8170.9-86.2-12.5000113.5Y40 S59 S63 K64Y40-D61 HydrophobicContact CD1-CB 4.19Å; Y40-D61 WeakPolarHBondContact CD1-O 3.46Å; Y40-D61 HydrophobicContact CD2-CB 3.69Å; Y40-D61 HydrophobicContact CE2-CB 4.18Å; Y40-D61 HydrophobicContact CG-CB 3.72Å; S59-D61 PolarHBondContact O-N 3.24Å; S59-D61 VanDerWaalsContact O-N 3.16Å; S59-D61 PolarHBondContact OG-N 3.09Å; D61-S63 PolarHBondContact O-N 3.34Å; D61-S63 VanDerWaalsContact O-N 3.09Å; D61-K64 HydrophobicContact CB-CD 4.08Å; D61-K64 WeakPolarHBondContact O-CB 3.25Å; D61-K64 WeakPolarHBondContact O-CG 3.29Å; D61-K64 PolarHBondContact O-N 3.25Å; D61-K64 WeakPolarHBondContact OD1-CE 3.45Å; D61-K64 IonicContact OD1-NZ 2.84Å; D61-K64 PolarHBondContact OD1-NZ 3.42Å; D61-K64 IonicContact OD2-NZ 3.82Å; D61-K64 PolarHBondContact OD2-NZ 3.09Å
62I95.4Very high94.8Very high0 Ų043.8 Ų43.80%023%0.229CC..G310 helixtrans-53.3-30.6170-165.869.3000112.3Y40 L48 L58 S59 E60 K64 L65 L71 P82 L88Y40-I62 HydrophobicContact CD1-CD1 4.42Å; Y40-I62 HydrophobicContact CE1-CB 4.16Å; Y40-I62 HydrophobicContact CE1-CD1 3.99Å; L48-I62 HydrophobicContact CD2-CD1 3.99Å; L58-I62 HydrophobicContact CD2-CB 4.14Å; L58-I62 HydrophobicContact CD2-CD1 4.04Å; L58-I62 HydrophobicContact CD2-CG1 3.94Å; L58-I62 HydrophobicContact CD2-CG2 4.45Å; L58-I62 HydrophobicContact CG-CB 4.45Å; S59-I62 WeakPolarHBondContact O-CB 3.39Å; S59-I62 WeakPolarHBondContact O-CG2 3.29Å; S59-I62 PolarHBondContact O-N 3.32Å; E60-I62 PolarHBondContact O-N 2.8Å; E60-I62 VanDerWaalsContact O-N 3.12Å; I62-K64 PolarHBondContact O-N 3Å; I62-K64 VanDerWaalsContact O-N 3.12Å; I62-L65 HydrophobicContact CD1-CD1 3.8Å; I62-L65 WeakPolarHBondContact O-CB 3.42Å; I62-L65 PolarHBondContact O-N 2.75Å; I62-L71 HydrophobicContact CG1-CD2 4.43Å; I62-P82 HydrophobicContact CG2-CB 4.39Å; I62-P82 HydrophobicContact CG2-CG 3.88Å; I62-L88 HydrophobicContact CG1-CD1 4.23Å
63S93.5Very high95Very high34 Ų3438 Ų3824%0.23820%0.202CC..G310 helixtrans-59.2-20.8175.657.70000114.6E60 D61 L65E60-S63 PolarHBondContact O-N 3Å; E60-S63 PolarHBondContact O-OG 2.83Å; D61-S63 PolarHBondContact O-N 3.34Å; D61-S63 VanDerWaalsContact O-N 3.09Å; S63-L65 PolarHBondContact O-N 3.1Å
64K94.6Very high95.1Very high83 Ų8338.6 Ų38.636%0.36121%0.205SC..G310 helixtrans-68.7-18.7175.3-73.2175.3179.4167.70113.4Y40 K43 D61 I62 S66Y40-K64 WeakPolarHBondContact O-CB 3.25Å; K43-K64 WeakPolarHBondContact CD-O 3.35Å; D61-K64 HydrophobicContact CB-CD 4.08Å; D61-K64 WeakPolarHBondContact O-CB 3.25Å; D61-K64 WeakPolarHBondContact O-CG 3.29Å; D61-K64 PolarHBondContact O-N 3.25Å; D61-K64 WeakPolarHBondContact OD1-CE 3.45Å; D61-K64 IonicContact OD1-NZ 2.84Å; D61-K64 PolarHBondContact OD1-NZ 3.42Å; D61-K64 IonicContact OD2-NZ 3.82Å; D61-K64 PolarHBondContact OD2-NZ 3.09Å; I62-K64 PolarHBondContact O-N 3Å; I62-K64 VanDerWaalsContact O-N 3.12Å; K64-S66 VanDerWaalsContact C-N 3.26Å; K64-S66 PolarHBondContact O-N 3.33Å; K64-S66 VanDerWaalsContact O-N 3.17Å
65L95.5Very high95.1Very high0 Ų038.6 Ų38.60%021%0.206CC..  trans-87.458.9178.9-57.7-178.6000110.6L42 L45 L48 I62 S63 N67 L68 L88L42-L65 HydrophobicContact CB-CD2 4.49Å; L42-L65 WeakPolarHBondContact O-CD2 3.4Å; L45-L65 HydrophobicContact CB-CD2 4.39Å; L45-L65 HydrophobicContact CD2-CD1 4.1Å; L48-L65 HydrophobicContact CD2-CD1 4.03Å; I62-L65 HydrophobicContact CD1-CD1 3.8Å; I62-L65 WeakPolarHBondContact O-CB 3.42Å; I62-L65 PolarHBondContact O-N 2.75Å; S63-L65 PolarHBondContact O-N 3.1Å; L65-N67 PolarHBondContact O-N 2.98Å; L65-L68 HydrophobicContact CB-CB 4.14Å; L65-L68 HydrophobicContact CD1-CD2 4.46Å; L65-L68 WeakPolarHBondContact O-CB 3.48Å; L65-L68 PolarHBondContact O-N 3.23Å; L65-L88 WeakPolarHBondContact O-CD2 3.49Å
66S92.7Very high95.1Very high64 Ų6438.5 Ų38.545%0.44821%0.206SC..THydrogen-bonded Turntrans-58.4-22.9-170.758.60000115.2K64K64-S66 VanDerWaalsContact C-N 3.26Å; K64-S66 PolarHBondContact O-N 3.33Å; K64-S66 VanDerWaalsContact O-N 3.17Å
67N92.9Very high95.2Very high48 Ų4838.3 Ų38.326%0.25721%0.205SC..THydrogen-bonded Turntrans-90.3-1179.4-66-43.8000113.9K43 L45 N46 L65 A69K43-N67 PolarHBondContact O-ND2 2.94Å; L45-N67 CarbonylContact O-C 3.55Å; N46-N67 PolarHBondContact OD1-O 3.19Å; L65-N67 PolarHBondContact O-N 2.98Å; N67-A69 PolarHBondContact O-N 3.2Å; N67-A69 VanDerWaalsContact O-N 3.12Å
68L95.8Very high95.4Very high0 Ų031.3 Ų31.30%018%0.175CC..  trans-62.5118.3-174.8-161.572000110.6L45 L48 L65 L71 L88 C90 L91L45-L68 HydrophobicContact CD2-CD1 4.23Å; L45-L68 HydrophobicContact CG-CD1 4.25Å; L45-L68 WeakPolarHBondContact O-CA 3.27Å; L45-L68 PolarHBondContact O-N 3.13Å; L48-L68 HydrophobicContact CB-CD1 3.77Å; L48-L68 HydrophobicContact CB-CD2 4.37Å; L65-L68 HydrophobicContact CB-CB 4.14Å; L65-L68 HydrophobicContact CD1-CD2 4.46Å; L65-L68 WeakPolarHBondContact O-CB 3.48Å; L65-L68 PolarHBondContact O-N 3.23Å; L68-L71 HydrophobicContact CD2-CB 3.86Å; L68-L71 HydrophobicContact CD2-CD1 4.12Å; L68-L71 HydrophobicContact CD2-CD2 4.28Å; L68-L71 HydrophobicContact CD2-CG 4.31Å; L68-L88 HydrophobicContact CD2-CD1 4.12Å; L68-C90 CarbonylContact O-C 3.12Å; L68-L91 HydrophobicContact CD2-CD1 4.34Å; L68-L91 HydrophobicContact CG-CD1 4.29Å; L68-L91 WeakPolarHBondContact O-CA 3.49Å; L68-L91 PolarHBondContact O-N 2.95Å
69A95.4Very high95.4Very high20 Ų2036.2 Ų36.217%0.16520%0.196CC..  trans-99.9-27.3179.800000112.1N46 N67 R92 S93N46-A69 WeakPolarHBondContact O-CA 3.26Å; N46-A69 PolarHBondContact O-N 2.74Å; N67-A69 PolarHBondContact O-N 3.2Å; N67-A69 VanDerWaalsContact O-N 3.12Å; A69-R92 WeakPolarHBondContact O-CA 3.38Å; A69-R92 WeakPolarHBondContact O-CB 3.27Å; A69-R92 PolarHBondContact O-N 2.77Å; A69-S93 PolarHBondContact O-N 3.32Å; A69-S93 VanDerWaalsContact O-N 3.13Å
70Q96.8Very high95.4Very high68 Ų6837.5 Ų37.532%0.31821%0.209SC..EExtended strand (participates in β ladder)trans-138.8126.3-179.8-60.5-176.829.300110N46 F47 L48 S93N46-Q70 PolarHBondContact O-N 2.92Å; F47-Q70 WeakPolarHBondContact CA-O 3.34Å; F47-Q70 HydrophobicContact CD2-CB 3.63Å; F47-Q70 HydrophobicContact CD2-CG 4.36Å; F47-Q70 HydrophobicContact CE2-CB 4.22Å; L48-Q70 PolarHBondContact N-O 2.78Å; Q70-S93 WeakPolarHBondContact CA-O 3.49Å
71L97.6Very high95.5Very high1 Ų134.7 Ų34.71%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-124.8113.6175.8178.855.7000109.1L48 I62 L68 L73 L85 L91 S93 L94 D95L48-L71 HydrophobicContact CB-CD1 4.05Å; L48-L71 HydrophobicContact CD2-CD1 3.96Å; L48-L71 HydrophobicContact CG-CD1 4.05Å; L48-L71 WeakPolarHBondContact O-CA 3.48Å; I62-L71 HydrophobicContact CG1-CD2 4.43Å; L68-L71 HydrophobicContact CD2-CB 3.86Å; L68-L71 HydrophobicContact CD2-CD1 4.12Å; L68-L71 HydrophobicContact CD2-CD2 4.28Å; L68-L71 HydrophobicContact CD2-CG 4.31Å; L71-L73 HydrophobicContact CD1-CD1 4.03Å; L71-L73 HydrophobicContact CD1-CD2 3.96Å; L71-L73 HydrophobicContact CD1-CG 3.82Å; L71-L73 HydrophobicContact CD2-CD1 4.1Å; L71-L73 HydrophobicContact CG-CD1 4.04Å; L71-L73 HydrophobicContact CG-CG 4.06Å; L71-L85 HydrophobicContact CD2-CD1 3.86Å; L71-L91 HydrophobicContact CB-CD1 3.89Å; L71-S93 PolarHBondContact N-O 3.48Å; L71-L94 HydrophobicContact CB-CD1 4.08Å; L71-L94 HydrophobicContact CD2-CD1 3.92Å; L71-L94 HydrophobicContact CG-CD1 4.05Å; L71-L94 WeakPolarHBondContact O-CA 3.1Å; L71-D95 PolarHBondContact O-N 3.32Å
72C97.1Very high95.4Very high20 Ų2032.6 Ų32.614%0.13519%0.185CC..EExtended strand (participates in β ladder)trans-113.8116.7176.3-178.10000109.7L48 E49 I50 D95L48-C72 PolarHBondContact O-N 2.82Å; E49-C72 CarbonylContact C-O 3.53Å; E49-C72 VanDerWaalsContact CA-O 3.27Å; E49-C72 WeakPolarHBondContact CA-O 3.3Å; E49-C72 HydrophobicContact CB-CB 4.14Å; E49-C72 HydrophobicContact CG-CB 3.99Å; I50-C72 PolarHBondContact N-O 2.95Å; C72-D95 HydrophobicContact CB-CB 4.49Å
73L97Very high95.3Very high1 Ų136.5 Ų36.51%0.00521%0.209CC..  trans-124.432178.7-59.1171.3000110.9I50 L58 L71 N76 L78 D95 L96 N99I50-L73 HydrophobicContact CB-CD2 3.74Å; I50-L73 HydrophobicContact CD1-CD2 4.03Å; I50-L73 HydrophobicContact CG1-CD2 4.02Å; I50-L73 CarbonylContact O-C 3.34Å; I50-L73 VanDerWaalsContact O-CA 3.27Å; I50-L73 WeakPolarHBondContact O-CA 3.1Å; L58-L73 HydrophobicContact CD2-CD1 3.68Å; L71-L73 HydrophobicContact CD1-CD1 4.03Å; L71-L73 HydrophobicContact CD1-CD2 3.96Å; L71-L73 HydrophobicContact CD1-CG 3.82Å; L71-L73 HydrophobicContact CD2-CD1 4.1Å; L71-L73 HydrophobicContact CG-CD1 4.04Å; L71-L73 HydrophobicContact CG-CG 4.06Å; L73-N76 PolarHBondContact O-ND2 3.27Å; L73-L78 HydrophobicContact CB-CD1 3.84Å; L73-L78 HydrophobicContact CD1-CD1 3.91Å; L73-L78 HydrophobicContact CG-CD1 4.43Å; L73-D95 PolarHBondContact N-O 3.41Å; L73-L96 HydrophobicContact CB-CD2 4Å; L73-L96 HydrophobicContact CD1-CD2 3.72Å; L73-L96 HydrophobicContact CG-CD2 4.33Å; L73-N99 PolarHBondContact O-ND2 3.23Å
74T95.1Very high95.4Very high20 Ų2038 Ų3812%0.12322%0.215CC..THydrogen-bonded Turntrans-66.6147.1-175.2-171.90000112.8S51 H52 N76 S97S51-T74 VanDerWaalsContact CA-O 3.26Å; S51-T74 WeakPolarHBondContact CA-O 3.44Å; H52-T74 PolarHBondContact N-O 3.41Å; T74-N76 PolarHBondContact O-N 2.7Å; T74-N76 PolarHBondContact O-ND2 3.07Å; T74-S97 CarbonylContact C-O 3.08Å; T74-S97 VanDerWaalsContact CA-O 3.25Å; T74-S97 WeakPolarHBondContact CA-O 3.46Å; T74-S97 WeakPolarHBondContact CB-OG 3.29Å; T74-S97 PolarHBondContact OG1-O 2.77Å; T74-S97 PolarHBondContact OG1-OG 3.37Å
75S94.6Very high95.4Very high36 Ų3634 Ų3425%0.25220%0.197SC..THydrogen-bonded Turntrans5844.7172.9-55.40000113.3H52 T53 S97 F98H52-S75 WeakPolarHBondContact CA-O 3.38Å; H52-S75 PolarHBondContact N-O 2.78Å; H52-S75 WeakPolarHBondContact ND1-CB 3.47Å; T53-S75 PolarHBondContact N-O 3.43Å; S75-S97 PolarHBondContact N-O 3.43Å; S75-F98 VanDerWaalsContact CA-O 3.25Å; S75-F98 WeakPolarHBondContact CA-O 3.49Å; S75-F98 PolarHBondContact N-O 3.06Å
76N96.3Very high95.2Very high5 Ų534.2 Ų34.23%0.02720%0.199CC..SBendtrans-112-163.7167.6-58.1-70.6000110.9I50 T53 L55 L73 T74 L78 F98 N99I50-N76 PolarHBondContact O-ND2 2.87Å; T53-N76 WeakPolarHBondContact CA-OD1 3.42Å; T53-N76 WeakPolarHBondContact CB-OD1 3.38Å; T53-N76 PolarHBondContact N-OD1 3.07Å; T53-N76 VanDerWaalsContact N-OD1 3.11Å; T53-N76 WeakPolarHBondContact O-CA 3.33Å; T53-N76 PolarHBondContact O-OD1 3.36Å; T53-N76 PolarHBondContact OG1-OD1 3.16Å; L55-N76 HydrophobicContact CB-CB 4.11Å; L73-N76 PolarHBondContact O-ND2 3.27Å; T74-N76 PolarHBondContact O-N 2.7Å; T74-N76 PolarHBondContact O-ND2 3.07Å; N76-L78 HydrophobicContact CB-CG 4.35Å; N76-F98 PolarHBondContact N-O 2.89Å; N76-N99 VanDerWaalsContact CA-OD1 3.3Å; N76-N99 WeakPolarHBondContact CA-OD1 3.29Å; N76-N99 WeakPolarHBondContact CB-OD1 3.27Å; N76-N99 PolarHBondContact N-OD1 2.95Å; N76-N99 PolarHBondContact O-OD1 3.47Å
77M96Very high95.3Very high89 Ų8934 Ų3444%0.43820%0.197SC..  trans-113.823.5-179.6-62.7-63.2-78.400111.9L55 E56 K79 N99 N100L55-M77 CarbonylContact O-C 3.22Å; L55-M77 WeakPolarHBondContact O-CA 3.36Å; L55-M77 PolarHBondContact O-N 3.33Å; E56-M77 HydrophobicContact CG-CB 4.19Å; M77-K79 PolarHBondContact O-N 3Å; M77-N99 PolarHBondContact N-OD1 3.05Å; M77-N100 VanDerWaalsContact CE-ND2 3.3Å; M77-N100 WeakPolarHBondContact CE-ND2 3.27Å
78L97Very high95.4Very high3 Ų331.7 Ų31.72%0.01619%0.185CC..  trans-57.8126.2-174.2-65.5173.1000110.7L55 E56 L58 L73 N76 L96 N99 N100 I101L55-L78 HydrophobicContact CD2-CD2 4.02Å; L55-L78 HydrophobicContact CG-CD2 4Å; L55-L78 PolarHBondContact O-N 3.11Å; L55-L78 VanDerWaalsContact O-N 3.13Å; E56-L78 WeakPolarHBondContact O-CA 3.4Å; L58-L78 HydrophobicContact CB-CD2 4.41Å; L73-L78 HydrophobicContact CB-CD1 3.84Å; L73-L78 HydrophobicContact CD1-CD1 3.91Å; L73-L78 HydrophobicContact CG-CD1 4.43Å; N76-L78 HydrophobicContact CB-CG 4.35Å; L78-L96 HydrophobicContact CD1-CD2 4.48Å; L78-N99 HydrophobicContact CB-CB 4.05Å; L78-N99 VanDerWaalsContact CB-OD1 3.29Å; L78-N99 WeakPolarHBondContact CB-OD1 3.43Å; L78-N99 WeakPolarHBondContact CG-OD1 3.22Å; L78-N99 PolarHBondContact N-OD1 3.09Å; L78-N100 CarbonylContact O-C 3.56Å; L78-N100 VanDerWaalsContact O-CA 3.26Å; L78-N100 WeakPolarHBondContact O-CA 3.42Å; L78-N100 PolarHBondContact O-N 3.34Å; L78-I101 HydrophobicContact CB-CD1 4.49Å; L78-I101 HydrophobicContact CB-CG1 4.21Å; L78-I101 WeakPolarHBondContact O-CG1 3.34Å; L78-I101 PolarHBondContact O-N 3.4Å; L78-I101 VanDerWaalsContact O-N 3.11Å
79K95.5Very high95.2Very high115 Ų11536.6 Ų36.650%0.521%0.208SC..  trans-93.1-25.6179-67.8168.7-178.4158.90112.7E56 M77E56-K79 PolarHBondContact O-N 3.33Å; E56-K79 VanDerWaalsContact O-N 3.15Å; E56-K79 IonicContact OE1-NZ 3.54Å; E56-K79 IonicContact OE2-NZ 3.71Å; E56-K79 PolarHBondContact OE2-NZ 2.99Å; M77-K79 PolarHBondContact O-N 3Å
80A95Very high95.1Very high59 Ų5938.3 Ų38.349%0.48822%0.218SC..SBendtrans-147.3159.1-178.500000110.6
81V95.4Very high95Very high11 Ų1135.1 Ų35.17%0.06720%0.203CC..  trans-100.1133172.8-177.20000108.1L85 L96 I101 I104 P105 I107V81-L85 HydrophobicContact CG1-CB 4.44Å; V81-L85 HydrophobicContact CG1-CD1 3.84Å; V81-L96 HydrophobicContact CG1-CD1 4.24Å; V81-L96 HydrophobicContact CG2-CD1 3.63Å; V81-I101 HydrophobicContact CG2-CD1 3.82Å; V81-I101 HydrophobicContact CG2-CG1 4.42Å; V81-I101 HydrophobicContact CG2-CG2 4.08Å; V81-I104 HydrophobicContact CG2-CD1 3.77Å; V81-P105 HydrophobicContact CB-CG 4.16Å; V81-P105 HydrophobicContact CG1-CG 4.35Å; V81-I107 HydrophobicContact CG1-CD1 4.15Å
82P94.8Very high94.9Very high8 Ų840.1 Ų40.15%0.05222%0.222CC..  trans-64.7140.7179.123.7-30.9000111.5L58 E60 I62 N84 L85L58-P82 HydrophobicContact CB-CG 4.17Å; L58-P82 HydrophobicContact CD2-CG 3.95Å; L58-P82 HydrophobicContact CG-CG 4.31Å; E60-P82 WeakPolarHBondContact OE1-CA 3.15Å; E60-P82 VanDerWaalsContact OE1-CB 3.32Å; E60-P82 WeakPolarHBondContact OE1-CB 3.41Å; I62-P82 HydrophobicContact CG2-CB 4.39Å; I62-P82 HydrophobicContact CG2-CG 3.88Å; P82-N84 VanDerWaalsContact C-N 3.31Å; P82-N84 PolarHBondContact O-N 2.81Å; P82-L85 HydrophobicContact CG-CB 4.36Å; P82-L85 HydrophobicContact CG-CD1 4.44Å; P82-L85 VanDerWaalsContact O-CB 3.28Å; P82-L85 WeakPolarHBondContact O-CB 3.32Å; P82-L85 PolarHBondContact O-N 3.44Å
83T93Very high94.9Very high82 Ų8240.7 Ų40.750%0.50323%0.226SC..G310 helixtrans-66.2-33.9-176.245.50000112.5E60 L85 G86 P105 I107E60-T83 PolarHBondContact OE1-N 2.85Å; E60-T83 PolarHBondContact OE1-OG1 2.85Å; E60-T83 PolarHBondContact OE2-N 2.77Å; E60-T83 VanDerWaalsContact OE2-N 3.14Å; E60-T83 PolarHBondContact OE2-OG1 3.42Å; T83-L85 PolarHBondContact O-N 3.23Å; T83-G86 PolarHBondContact O-N 3.03Å; T83-P105 HydrophobicContact CG2-CB 3.92Å; T83-I107 VanDerWaalsContact O-CG2 3.25Å; T83-I107 WeakPolarHBondContact O-CG2 3.45Å
84N94.6Very high95Very high65 Ų6540.7 Ų40.735%0.34823%0.226SC..G310 helixtrans-77.40.3-178.7-61.80.5000113E60 P82 G86 S87E60-N84 WeakPolarHBondContact OE2-CB 3.37Å; E60-N84 PolarHBondContact OE2-N 3.1Å; E60-N84 PolarHBondContact OE2-OD1 3.37Å; P82-N84 VanDerWaalsContact C-N 3.31Å; P82-N84 PolarHBondContact O-N 2.81Å; N84-G86 PolarHBondContact O-N 3.27Å; N84-S87 WeakPolarHBondContact O-CB 3.47Å; N84-S87 PolarHBondContact O-N 3.28Å; N84-S87 VanDerWaalsContact O-N 3.07Å; N84-S87 PolarHBondContact O-OG 3.28Å
85L95.1Very high95.1Very high0 Ų041.3 Ų41.30%023%0.229CC..G310 helixtrans-58.8-30.2169.7-162.8150000111.1L71 V81 P82 T83 S87 L88 L91 L94 I107 L111L71-L85 HydrophobicContact CD2-CD1 3.86Å; V81-L85 HydrophobicContact CG1-CB 4.44Å; V81-L85 HydrophobicContact CG1-CD1 3.84Å; P82-L85 HydrophobicContact CG-CB 4.36Å; P82-L85 HydrophobicContact CG-CD1 4.44Å; P82-L85 VanDerWaalsContact O-CB 3.28Å; P82-L85 WeakPolarHBondContact O-CB 3.32Å; P82-L85 PolarHBondContact O-N 3.44Å; T83-L85 PolarHBondContact O-N 3.23Å; L85-S87 PolarHBondContact O-N 2.84Å; L85-S87 VanDerWaalsContact O-N 3.14Å; L85-L88 HydrophobicContact CG-CD1 4.22Å; L85-L88 WeakPolarHBondContact O-CB 3.2Å; L85-L88 WeakPolarHBondContact O-CG 3.15Å; L85-L88 PolarHBondContact O-N 2.93Å; L85-L88 VanDerWaalsContact O-N 3.13Å; L85-L91 HydrophobicContact CD2-CD2 4.03Å; L85-L94 HydrophobicContact CD1-CD1 4.27Å; L85-L94 HydrophobicContact CD2-CD1 4.44Å; L85-L94 HydrophobicContact CD2-CD2 3.8Å; L85-I107 HydrophobicContact CB-CD1 4.12Å; L85-I107 HydrophobicContact CD2-CD1 3.72Å; L85-I107 HydrophobicContact CG-CD1 4.43Å; L85-L111 HydrophobicContact CD2-CD1 4.13Å
86G92.2Very high95.3Very high4 Ų439.8 Ų39.84%0.04122%0.218CC..G310 helixtrans-60.6-18.5174.900000114.9T83 N84 L88 H110T83-G86 PolarHBondContact O-N 3.03Å; N84-G86 PolarHBondContact O-N 3.27Å; G86-L88 VanDerWaalsContact C-N 3.27Å; G86-L88 PolarHBondContact O-N 3.28Å; G86-H110 WeakPolarHBondContact O-CB 3.46Å
87S93.6Very high95.3Very high58 Ų5839.8 Ų39.841%0.40622%0.218SC..G310 helixtrans-78.3-7.2177.1-53.90000113.8N84 L85 H89N84-S87 WeakPolarHBondContact O-CB 3.47Å; N84-S87 PolarHBondContact O-N 3.28Å; N84-S87 VanDerWaalsContact O-N 3.07Å; N84-S87 PolarHBondContact O-OG 3.28Å; L85-S87 PolarHBondContact O-N 2.84Å; L85-S87 VanDerWaalsContact O-N 3.14Å; S87-H89 VanDerWaalsContact C-N 3.28Å; S87-H89 PolarHBondContact O-CD2 3.12Å; S87-H89 VanDerWaalsContact O-CD2 3.26Å; S87-H89 PolarHBondContact O-N 3.07Å; S87-H89 PolarHBondContact O-NE2 3.16Å
88L95.1Very high95.3Very high0 Ų040.6 Ų40.60%022%0.22CC..  trans-80.869.5-179.6-59.6-179.1000111.7I62 L65 L68 L85 G86 C90 L91 L111I62-L88 HydrophobicContact CG1-CD1 4.23Å; L65-L88 WeakPolarHBondContact O-CD2 3.49Å; L68-L88 HydrophobicContact CD2-CD1 4.12Å; L85-L88 HydrophobicContact CG-CD1 4.22Å; L85-L88 WeakPolarHBondContact O-CB 3.2Å; L85-L88 WeakPolarHBondContact O-CG 3.15Å; L85-L88 PolarHBondContact O-N 2.93Å; L85-L88 VanDerWaalsContact O-N 3.13Å; G86-L88 VanDerWaalsContact C-N 3.27Å; G86-L88 PolarHBondContact O-N 3.28Å; L88-C90 PolarHBondContact O-N 3.09Å; L88-C90 VanDerWaalsContact O-N 3.08Å; L88-L91 HydrophobicContact CB-CB 4.08Å; L88-L91 WeakPolarHBondContact O-CB 3.47Å; L88-L91 PolarHBondContact O-N 3.12Å; L88-L111 HydrophobicContact CB-CD2 4.5Å; L88-L111 VanDerWaalsContact O-CD2 3.31Å; L88-L111 WeakPolarHBondContact O-CD2 3.35Å
89H91.5Very high95.4Very high104 Ų10440.8 Ų40.848%0.48122%0.221SC..THydrogen-bonded Turntrans-61.9-20.5-174.3-54.9-55.6000114.6S87 H110 N113S87-H89 VanDerWaalsContact C-N 3.28Å; S87-H89 PolarHBondContact O-CD2 3.12Å; S87-H89 VanDerWaalsContact O-CD2 3.26Å; S87-H89 PolarHBondContact O-N 3.07Å; S87-H89 PolarHBondContact O-NE2 3.16Å; H89-H110 PolarHBondContact ND1-O 3.15Å; H89-N113 PolarHBondContact O-ND2 2.68Å
90C92.9Very high95.4Very high56 Ų5637.2 Ų37.238%0.37821%0.207SC..THydrogen-bonded Turntrans-84.1-7176.5-68.40000113.9L68 L88 R92L68-C90 CarbonylContact O-C 3.12Å; L88-C90 PolarHBondContact O-N 3.09Å; L88-C90 VanDerWaalsContact O-N 3.08Å; C90-R92 PolarHBondContact O-N 2.96Å
91L96.1Very high95.6Very high0 Ų034.4 Ų34.40%018%0.184CC..  trans-66.9126.7-174-160.571000111.2L68 L71 L85 L88 L94 L111 N113 L114L68-L91 HydrophobicContact CD2-CD1 4.34Å; L68-L91 HydrophobicContact CG-CD1 4.29Å; L68-L91 WeakPolarHBondContact O-CA 3.49Å; L68-L91 PolarHBondContact O-N 2.95Å; L71-L91 HydrophobicContact CB-CD1 3.89Å; L85-L91 HydrophobicContact CD2-CD2 4.03Å; L88-L91 HydrophobicContact CB-CB 4.08Å; L88-L91 WeakPolarHBondContact O-CB 3.47Å; L88-L91 PolarHBondContact O-N 3.12Å; L91-L94 HydrophobicContact CD2-CB 4.03Å; L91-L94 HydrophobicContact CD2-CD1 4.34Å; L91-L94 HydrophobicContact CD2-CD2 4.47Å; L91-L111 HydrophobicContact CB-CD2 4.38Å; L91-N113 CarbonylContact O-C 3.59Å; L91-L114 HydrophobicContact CB-CD1 4.34Å; L91-L114 HydrophobicContact CD2-CD1 4.03Å; L91-L114 HydrophobicContact CG-CD1 3.94Å; L91-L114 WeakPolarHBondContact O-CA 3.31Å; L91-L114 PolarHBondContact O-N 2.81Å
92R96Very high95.6Very high106 Ų10637 Ų3740%0.420%0.203SC..  trans-112.2-30.7179.9-60.9-178.3-176.3-1371.5112.1A69 C90 S115 S116A69-R92 WeakPolarHBondContact O-CA 3.38Å; A69-R92 WeakPolarHBondContact O-CB 3.27Å; A69-R92 PolarHBondContact O-N 2.77Å; C90-R92 PolarHBondContact O-N 2.96Å; R92-S115 PolarHBondContact O-N 3.22Å; R92-S115 PolarHBondContact O-OG 3.07Å; R92-S116 PolarHBondContact O-N 3.05Å; R92-S116 VanDerWaalsContact O-N 3.1Å
93S96.8Very high95.6Very high32 Ų3243.3 Ų43.322%0.22423%0.233CC..EExtended strand (participates in β ladder)trans-133.7130.2177.5-178.90000110.4A69 Q70 L71 S116A69-S93 PolarHBondContact O-N 3.32Å; A69-S93 VanDerWaalsContact O-N 3.13Å; Q70-S93 WeakPolarHBondContact CA-O 3.49Å; L71-S93 PolarHBondContact N-O 3.48Å; S93-S116 WeakPolarHBondContact CA-O 3.37Å
94L97.8Very high95.7Very high1 Ų139.8 Ų39.81%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-128.6114174.5178.659.4000109.2L71 L85 L91 L96 L114 S116 L117 I118L71-L94 HydrophobicContact CB-CD1 4.08Å; L71-L94 HydrophobicContact CD2-CD1 3.92Å; L71-L94 HydrophobicContact CG-CD1 4.05Å; L71-L94 WeakPolarHBondContact O-CA 3.1Å; L85-L94 HydrophobicContact CD1-CD1 4.27Å; L85-L94 HydrophobicContact CD2-CD1 4.44Å; L85-L94 HydrophobicContact CD2-CD2 3.8Å; L91-L94 HydrophobicContact CD2-CB 4.03Å; L91-L94 HydrophobicContact CD2-CD1 4.34Å; L91-L94 HydrophobicContact CD2-CD2 4.47Å; L94-L96 HydrophobicContact CD1-CD1 4.24Å; L94-L96 HydrophobicContact CD1-CD2 4.02Å; L94-L96 HydrophobicContact CD1-CG 3.88Å; L94-L96 HydrophobicContact CD2-CD1 4.05Å; L94-L96 HydrophobicContact CD2-CG 4.48Å; L94-L96 HydrophobicContact CG-CD1 4.15Å; L94-L96 HydrophobicContact CG-CG 4.03Å; L94-L114 HydrophobicContact CB-CD1 3.96Å; L94-L114 HydrophobicContact CB-CD2 4.49Å; L94-S116 PolarHBondContact N-O 3.07Å; L94-L117 HydrophobicContact CB-CD1 4.18Å; L94-L117 HydrophobicContact CD2-CD1 3.94Å; L94-L117 HydrophobicContact CG-CD1 4.18Å; L94-I118 PolarHBondContact O-N 3.35Å
95D98Very high95.7Very high34 Ų3437.9 Ų37.918%0.18220%0.202CC..EExtended strand (participates in β ladder)trans-114.2115173.2-171.3-11.1000110L71 C72 L73 S97 I118L71-D95 PolarHBondContact O-N 3.32Å; C72-D95 HydrophobicContact CB-CB 4.49Å; L73-D95 PolarHBondContact N-O 3.41Å; D95-S97 WeakPolarHBondContact OD1-CB 3.18Å; D95-S97 PolarHBondContact OD1-N 3.14Å; D95-S97 PolarHBondContact OD1-OG 3.25Å; D95-I118 HydrophobicContact CB-CB 4.28Å
96L97.8Very high95.7Very high3 Ų344.3 Ų44.32%0.01624%0.236CC..  trans-119.119.7176.2-61.7172.8000111L73 L78 V81 L94 N99 I101 I118 L119 N122L73-L96 HydrophobicContact CB-CD2 4Å; L73-L96 HydrophobicContact CD1-CD2 3.72Å; L73-L96 HydrophobicContact CG-CD2 4.33Å; L78-L96 HydrophobicContact CD1-CD2 4.48Å; V81-L96 HydrophobicContact CG1-CD1 4.24Å; V81-L96 HydrophobicContact CG2-CD1 3.63Å; L94-L96 HydrophobicContact CD1-CD1 4.24Å; L94-L96 HydrophobicContact CD1-CD2 4.02Å; L94-L96 HydrophobicContact CD1-CG 3.88Å; L94-L96 HydrophobicContact CD2-CD1 4.05Å; L94-L96 HydrophobicContact CD2-CG 4.48Å; L94-L96 HydrophobicContact CG-CD1 4.15Å; L94-L96 HydrophobicContact CG-CG 4.03Å; L96-N99 PolarHBondContact O-ND2 2.78Å; L96-I101 HydrophobicContact CB-CD1 3.85Å; L96-I101 HydrophobicContact CD1-CD1 4.25Å; L96-I101 HydrophobicContact CG-CD1 4.47Å; L96-I118 PolarHBondContact N-O 3.45Å; L96-L119 HydrophobicContact CB-CD2 3.99Å; L96-L119 HydrophobicContact CD1-CD2 3.78Å; L96-L119 HydrophobicContact CG-CD2 4.32Å; L96-N122 PolarHBondContact O-ND2 2.94Å
97S97Very high95.8Very high6 Ų644.3 Ų44.34%0.04224%0.236CC..  trans-63.7154.7-174.157.50000113.6T74 S75 D95 N99 S120T74-S97 CarbonylContact C-O 3.08Å; T74-S97 VanDerWaalsContact CA-O 3.25Å; T74-S97 WeakPolarHBondContact CA-O 3.46Å; T74-S97 WeakPolarHBondContact CB-OG 3.29Å; T74-S97 PolarHBondContact OG1-O 2.77Å; T74-S97 PolarHBondContact OG1-OG 3.37Å; S75-S97 PolarHBondContact N-O 3.43Å; D95-S97 WeakPolarHBondContact OD1-CB 3.18Å; D95-S97 PolarHBondContact OD1-N 3.14Å; D95-S97 PolarHBondContact OD1-OG 3.25Å; S97-N99 PolarHBondContact O-N 2.81Å; S97-N99 PolarHBondContact O-ND2 3.49Å; S97-N99 VanDerWaalsContact O-ND2 3.07Å; S97-S120 CarbonylContact C-O 3.2Å; S97-S120 WeakPolarHBondContact CA-O 3.38Å; S97-S120 VanDerWaalsContact CB-O 3.24Å; S97-S120 WeakPolarHBondContact CB-O 3.49Å
98F96.5Very high95.8Very high106 Ų10641.7 Ų41.747%0.46522%0.217SC..SBendtrans54.348.7175.9-56.6-74.3000113.2S75 N76 S120 G121S75-F98 VanDerWaalsContact CA-O 3.25Å; S75-F98 WeakPolarHBondContact CA-O 3.49Å; S75-F98 PolarHBondContact N-O 3.06Å; N76-F98 PolarHBondContact N-O 2.89Å; F98-S120 PolarHBondContact N-O 3.01Å; F98-G121 VanDerWaalsContact CA-O 3.29Å; F98-G121 WeakPolarHBondContact CA-O 3.41Å
99N97.7Very high95.6Very high7 Ų745.7 Ų45.74%0.03724%0.238CC..SBendtrans-117.2-169.5172.3-79.5-80.4000110.4L73 N76 M77 L78 L96 S97 I101 N122L73-N99 PolarHBondContact O-ND2 3.23Å; N76-N99 VanDerWaalsContact CA-OD1 3.3Å; N76-N99 WeakPolarHBondContact CA-OD1 3.29Å; N76-N99 WeakPolarHBondContact CB-OD1 3.27Å; N76-N99 PolarHBondContact N-OD1 2.95Å; N76-N99 PolarHBondContact O-OD1 3.47Å; M77-N99 PolarHBondContact N-OD1 3.05Å; L78-N99 HydrophobicContact CB-CB 4.05Å; L78-N99 VanDerWaalsContact CB-OD1 3.29Å; L78-N99 WeakPolarHBondContact CB-OD1 3.43Å; L78-N99 WeakPolarHBondContact CG-OD1 3.22Å; L78-N99 PolarHBondContact N-OD1 3.09Å; L96-N99 PolarHBondContact O-ND2 2.78Å; S97-N99 PolarHBondContact O-N 2.81Å; S97-N99 PolarHBondContact O-ND2 3.49Å; S97-N99 VanDerWaalsContact O-ND2 3.07Å; N99-I101 HydrophobicContact CB-CD1 4.01Å; N99-I101 HydrophobicContact CB-CG1 3.95Å; N99-N122 VanDerWaalsContact CA-OD1 3.27Å; N99-N122 WeakPolarHBondContact CA-OD1 3.29Å; N99-N122 WeakPolarHBondContact CB-OD1 3.06Å; N99-N122 PolarHBondContact N-OD1 2.82Å; N99-N122 PolarHBondContact O-OD1 3.22Å
100N97.3Very high95.4Very high39 Ų3945.9 Ų45.921%0.20924%0.239CC..  trans-108.227.5175.9-75.2-54.9000112.5M77 L78 S102 K123M77-N100 VanDerWaalsContact CE-ND2 3.3Å; M77-N100 WeakPolarHBondContact CE-ND2 3.27Å; L78-N100 CarbonylContact O-C 3.56Å; L78-N100 VanDerWaalsContact O-CA 3.26Å; L78-N100 WeakPolarHBondContact O-CA 3.42Å; L78-N100 PolarHBondContact O-N 3.34Å; N100-S102 PolarHBondContact O-N 3.44Å; N100-K123 WeakPolarHBondContact OD1-CE 3.35Å; N100-K123 PolarHBondContact OD1-NZ 3.26Å
101I97.7Very high95.5Very high0 Ų043.2 Ų43.20%022%0.221CC..  trans-70.5125.3-173.6-58.8164.7000109.3L78 V81 L96 N99 M103 I104 N122 K123 I124L78-I101 HydrophobicContact CB-CD1 4.49Å; L78-I101 HydrophobicContact CB-CG1 4.21Å; L78-I101 WeakPolarHBondContact O-CG1 3.34Å; L78-I101 PolarHBondContact O-N 3.4Å; L78-I101 VanDerWaalsContact O-N 3.11Å; V81-I101 HydrophobicContact CG2-CD1 3.82Å; V81-I101 HydrophobicContact CG2-CG1 4.42Å; V81-I101 HydrophobicContact CG2-CG2 4.08Å; L96-I101 HydrophobicContact CB-CD1 3.85Å; L96-I101 HydrophobicContact CD1-CD1 4.25Å; L96-I101 HydrophobicContact CG-CD1 4.47Å; N99-I101 HydrophobicContact CB-CD1 4.01Å; N99-I101 HydrophobicContact CB-CG1 3.95Å; I101-M103 VanDerWaalsContact CG2-O 3.27Å; I101-M103 WeakPolarHBondContact CG2-O 3.23Å; I101-I104 HydrophobicContact CG2-CD1 3.7Å; I101-N122 HydrophobicContact CB-CB 4.33Å; I101-N122 WeakPolarHBondContact CB-OD1 3.24Å; I101-N122 WeakPolarHBondContact CG1-OD1 3.29Å; I101-N122 PolarHBondContact N-OD1 3.41Å; I101-K123 CarbonylContact O-C 3.52Å; I101-K123 VanDerWaalsContact O-C 3.22Å; I101-K123 WeakPolarHBondContact O-CA 3.16Å; I101-K123 PolarHBondContact O-N 3.38Å; I101-I124 HydrophobicContact CB-CG1 4.44Å; I101-I124 HydrophobicContact CG2-CG1 4.19Å; I101-I124 WeakPolarHBondContact O-CG1 3.48Å; I101-I124 PolarHBondContact O-N 3.07Å
102S96.2Very high95.3Very high67 Ų6745.9 Ų45.947%0.46924%0.24SC..  trans-102.5-25.317757.10000113.6N100N100-S102 PolarHBondContact O-N 3.44Å
103M94.4Very high95.1Very high139 Ų13944.5 Ų44.569%0.68524%0.24SC*.  trans-139.8141.3-176.2-174.5171.567.900110.4I101I101-M103 VanDerWaalsContact CG2-O 3.27Å; I101-M103 WeakPolarHBondContact CG2-O 3.23Å
104I95.7Very high95.1Very high9 Ų943 Ų435%0.04623%0.229CC..  trans-110.9127174.8-58.1-66.9000107.9V81 I101 F108 L119 I124 P128V81-I104 HydrophobicContact CG2-CD1 3.77Å; I101-I104 HydrophobicContact CG2-CD1 3.7Å; I104-F108 HydrophobicContact CG2-CE2 3.67Å; I104-F108 HydrophobicContact CG2-CZ 3.59Å; I104-L119 HydrophobicContact CD1-CD1 4.46Å; I104-L119 HydrophobicContact CD1-CD2 4.17Å; I104-L119 HydrophobicContact CG1-CD1 4.46Å; I104-I124 HydrophobicContact CD1-CD1 3.86Å; I104-I124 HydrophobicContact CD1-CG1 4.43Å; I104-I124 HydrophobicContact CG1-CD1 3.92Å; I104-I124 HydrophobicContact CG1-CG1 4.3Å; I104-I124 HydrophobicContact CG1-CG2 4.19Å; I104-P128 HydrophobicContact CB-CG 4.31Å; I104-P128 HydrophobicContact CG2-CG 3.94Å
105P94.5Very high95.1Very high24 Ų2444.9 Ų44.916%0.15624%0.243CC..  trans-69.7159.7175.929.8-34.6000111.8V81 T83 I107 P128V81-P105 HydrophobicContact CB-CG 4.16Å; V81-P105 HydrophobicContact CG1-CG 4.35Å; T83-P105 HydrophobicContact CG2-CB 3.92Å; P105-I107 HydrophobicContact CB-CG2 4.03Å; P105-I107 HydrophobicContact CG-CD1 4.41Å; P105-I107 HydrophobicContact CG-CG1 4.48Å; P105-I107 HydrophobicContact CG-CG2 3.75Å; P105-I107 PolarHBondContact O-N 3.23Å; P105-P128 WeakPolarHBondContact O-CG 3.32Å
106D94.1Very high95Very high135 Ų13543.9 Ų43.972%0.72224%0.239SC*.SBendtrans-70.671.4178.3-65.6-38000112.1P128D106-P128 WeakPolarHBondContact OD1-CB 3.43Å
107I94.1Very high95.1Very high5 Ų543.8 Ų43.83%0.02624%0.238CC..  trans-109.3-16.7-174.661.1172.3000113.9V81 T83 L85 P105 D109 H110 L111V81-I107 HydrophobicContact CG1-CD1 4.15Å; T83-I107 VanDerWaalsContact O-CG2 3.25Å; T83-I107 WeakPolarHBondContact O-CG2 3.45Å; L85-I107 HydrophobicContact CB-CD1 4.12Å; L85-I107 HydrophobicContact CD2-CD1 3.72Å; L85-I107 HydrophobicContact CG-CD1 4.43Å; P105-I107 HydrophobicContact CB-CG2 4.03Å; P105-I107 HydrophobicContact CG-CD1 4.41Å; P105-I107 HydrophobicContact CG-CG1 4.48Å; P105-I107 HydrophobicContact CG-CG2 3.75Å; P105-I107 PolarHBondContact O-N 3.23Å; I107-D109 VanDerWaalsContact C-N 3.29Å; I107-D109 PolarHBondContact O-N 3.18Å; I107-H110 PolarHBondContact O-N 3.08Å; I107-L111 HydrophobicContact CD1-CD1 4.46Å
108F94.7Very high95.1Very high3 Ų344.7 Ų44.71%0.01324%0.242CC..G310 helixtrans-72.5-19.4-169.2-63.5-42.2000114.2I104 H110 L111 L117 L119 I127 P128 V130 L133I104-F108 HydrophobicContact CG2-CE2 3.67Å; I104-F108 HydrophobicContact CG2-CZ 3.59Å; F108-H110 PolarHBondContact O-N 3.17Å; F108-L111 HydrophobicContact CD1-CD1 4.27Å; F108-L111 PolarHBondContact O-N 3.03Å; F108-L117 HydrophobicContact CD1-CD2 4.37Å; F108-L117 HydrophobicContact CE1-CD1 4.08Å; F108-L117 HydrophobicContact CE1-CD2 3.73Å; F108-L117 HydrophobicContact CE2-CD2 4.35Å; F108-L117 HydrophobicContact CZ-CD1 4.35Å; F108-L117 HydrophobicContact CZ-CD2 3.72Å; F108-L119 HydrophobicContact CZ-CD1 4.43Å; F108-I127 HydrophobicContact CD2-CG2 4.49Å; F108-I127 HydrophobicContact CE2-CG2 3.78Å; F108-P128 HydrophobicContact CD2-CG 3.83Å; F108-P128 HydrophobicContact CE2-CG 3.86Å; F108-V130 HydrophobicContact CD2-CG1 3.99Å; F108-V130 HydrophobicContact CE2-CG1 4.4Å; F108-L133 HydrophobicContact CB-CD1 4.13Å; F108-L133 HydrophobicContact CB-CD2 3.85Å; F108-L133 HydrophobicContact CB-CG 3.94Å; F108-L133 HydrophobicContact CD1-CD1 4.08Å; F108-L133 HydrophobicContact CD1-CD2 4.14Å; F108-L133 HydrophobicContact CG-CD1 4.05Å; F108-L133 HydrophobicContact CG-CD2 4.32Å; F108-L133 HydrophobicContact CG-CG 4.39Å; F108-L133 WeakPolarHBondContact O-CD2 3.48Å
109D89.9Confident95.2Very high84 Ų8439.6 Ų39.645%0.44922%0.22SC..G310 helixtrans-64.4-22175.8-79.6-17.7000112.9I107I107-D109 VanDerWaalsContact C-N 3.29Å; I107-D109 PolarHBondContact O-N 3.18Å
110H88.5Confident95.2Very high108 Ų10839.6 Ų39.650%0.522%0.221SC..G310 helixtrans-101.9-7.8-176.7-58.9-56000114.7G86 H89 I107 F108 S112G86-H110 WeakPolarHBondContact O-CB 3.46Å; H89-H110 PolarHBondContact ND1-O 3.15Å; I107-H110 PolarHBondContact O-N 3.08Å; F108-H110 PolarHBondContact O-N 3.17Å; H110-S112 PolarHBondContact O-N 2.95Å
111L94.6Very high95.2Very high0 Ų038.6 Ų38.60%022%0.22CC..  trans-99.752.8-175.2-61.1179000111.8L85 L88 L91 I107 F108 N113 L114 L133L85-L111 HydrophobicContact CD2-CD1 4.13Å; L88-L111 HydrophobicContact CB-CD2 4.5Å; L88-L111 VanDerWaalsContact O-CD2 3.31Å; L88-L111 WeakPolarHBondContact O-CD2 3.35Å; L91-L111 HydrophobicContact CB-CD2 4.38Å; I107-L111 HydrophobicContact CD1-CD1 4.46Å; F108-L111 HydrophobicContact CD1-CD1 4.27Å; F108-L111 PolarHBondContact O-N 3.03Å; L111-N113 PolarHBondContact O-N 2.88Å; L111-N113 VanDerWaalsContact O-N 3.14Å; L111-L114 HydrophobicContact CB-CB 4.2Å; L111-L114 HydrophobicContact CD1-CD2 4.5Å; L111-L114 VanDerWaalsContact O-CB 3.29Å; L111-L114 WeakPolarHBondContact O-CB 3.37Å; L111-L114 PolarHBondContact O-N 3.37Å; L111-L114 VanDerWaalsContact O-N 3.08Å; L111-L133 HydrophobicContact CB-CD2 3.88Å; L111-L133 WeakPolarHBondContact O-CD2 3.47Å
112S91.6Very high95.2Very high56 Ų5639.1 Ų39.139%0.39222%0.222SC..THydrogen-bonded Turntrans-63.6-20.7-173.459.70000114.9H110 S135H110-S112 PolarHBondContact O-N 2.95Å; S112-S135 VanDerWaalsContact O-CB 3.27Å; S112-S135 WeakPolarHBondContact O-CB 3.18Å; S112-S135 PolarHBondContact O-OG 2.92Å
113N92.9Very high95.3Very high76 Ų7640.7 Ų40.741%0.40622%0.221SC..THydrogen-bonded Turntrans-90.5-3.9177.8-68.8-51000114H89 L91 L111 S115H89-N113 PolarHBondContact O-ND2 2.68Å; L91-N113 CarbonylContact O-C 3.59Å; L111-N113 PolarHBondContact O-N 2.88Å; L111-N113 VanDerWaalsContact O-N 3.14Å; N113-S115 PolarHBondContact O-N 2.69Å
114L96.9Very high95.4Very high0 Ų034.1 Ų34.10%019%0.188CC..  trans-67121.5-177.7-15974.4000110.3L91 L94 L111 L117 L133 S135 L136L91-L114 HydrophobicContact CB-CD1 4.34Å; L91-L114 HydrophobicContact CD2-CD1 4.03Å; L91-L114 HydrophobicContact CG-CD1 3.94Å; L91-L114 WeakPolarHBondContact O-CA 3.31Å; L91-L114 PolarHBondContact O-N 2.81Å; L94-L114 HydrophobicContact CB-CD1 3.96Å; L94-L114 HydrophobicContact CB-CD2 4.49Å; L111-L114 HydrophobicContact CB-CB 4.2Å; L111-L114 HydrophobicContact CD1-CD2 4.5Å; L111-L114 VanDerWaalsContact O-CB 3.29Å; L111-L114 WeakPolarHBondContact O-CB 3.37Å; L111-L114 PolarHBondContact O-N 3.37Å; L111-L114 VanDerWaalsContact O-N 3.08Å; L114-L117 HydrophobicContact CD2-CB 3.95Å; L114-L117 HydrophobicContact CD2-CD1 4.21Å; L114-L117 HydrophobicContact CD2-CG 4.45Å; L114-L133 HydrophobicContact CB-CD2 4.11Å; L114-L133 HydrophobicContact CD2-CD1 4.39Å; L114-L133 HydrophobicContact CD2-CD2 4.02Å; L114-S135 CarbonylContact O-C 3.47Å; L114-L136 HydrophobicContact CD2-CD1 4.31Å; L114-L136 HydrophobicContact CG-CD1 4.31Å; L114-L136 VanDerWaalsContact O-CA 3.29Å; L114-L136 WeakPolarHBondContact O-CA 3.21Å; L114-L136 PolarHBondContact O-N 3.23Å; L114-L136 VanDerWaalsContact O-N 3.13Å
115S96.5Very high95.5Very high41 Ų4138.8 Ų38.829%0.28721%0.21SC..  trans-106.5-24.9-179.865.80000113.5R92 N113 S135 H137 E138R92-S115 PolarHBondContact O-N 3.22Å; R92-S115 PolarHBondContact O-OG 3.07Å; N113-S115 PolarHBondContact O-N 2.69Å; S115-S135 WeakPolarHBondContact CA-O 3.27Å; S115-H137 WeakPolarHBondContact O-CA 3.33Å; S115-H137 PolarHBondContact O-N 3.18Å; S115-E138 PolarHBondContact O-N 2.7Å
116S97.1Very high95.5Very high14 Ų1442.7 Ų42.710%0.09823%0.229CC..EExtended strand (participates in β ladder)trans-136127.2175.1-178.10000110.8R92 S93 L94 E138R92-S116 PolarHBondContact O-N 3.05Å; R92-S116 VanDerWaalsContact O-N 3.1Å; S93-S116 WeakPolarHBondContact CA-O 3.37Å; L94-S116 PolarHBondContact N-O 3.07Å; S116-E138 WeakPolarHBondContact CA-O 3.28Å; S116-E138 PolarHBondContact OG-OE2 2.82Å
117L98.3Very high95.7Very high0 Ų037 Ų370%020%0.199CC..EExtended strand (participates in β ladder)trans-127.2112.4177.4175.760.1000109.7L94 F108 L114 L119 L133 L136 E138 F139 S140L94-L117 HydrophobicContact CB-CD1 4.18Å; L94-L117 HydrophobicContact CD2-CD1 3.94Å; L94-L117 HydrophobicContact CG-CD1 4.18Å; F108-L117 HydrophobicContact CD1-CD2 4.37Å; F108-L117 HydrophobicContact CE1-CD1 4.08Å; F108-L117 HydrophobicContact CE1-CD2 3.73Å; F108-L117 HydrophobicContact CE2-CD2 4.35Å; F108-L117 HydrophobicContact CZ-CD1 4.35Å; F108-L117 HydrophobicContact CZ-CD2 3.72Å; L114-L117 HydrophobicContact CD2-CB 3.95Å; L114-L117 HydrophobicContact CD2-CD1 4.21Å; L114-L117 HydrophobicContact CD2-CG 4.45Å; L117-L119 HydrophobicContact CD1-CD1 4.35Å; L117-L119 HydrophobicContact CD1-CD2 3.89Å; L117-L119 HydrophobicContact CD1-CG 3.96Å; L117-L119 HydrophobicContact CD2-CD1 4.29Å; L117-L119 HydrophobicContact CG-CD1 4.3Å; L117-L119 HydrophobicContact CG-CG 4.1Å; L117-L133 HydrophobicContact CD2-CD1 3.88Å; L117-L136 HydrophobicContact CB-CD1 3.86Å; L117-E138 PolarHBondContact N-O 2.97Å; L117-F139 HydrophobicContact CB-CD2 4.12Å; L117-F139 HydrophobicContact CD2-CD2 3.85Å; L117-F139 HydrophobicContact CD2-CE2 3.75Å; L117-F139 HydrophobicContact CG-CD2 3.97Å; L117-F139 HydrophobicContact CG-CE2 4.11Å; L117-F139 WeakPolarHBondContact O-CA 3.34Å; L117-S140 PolarHBondContact O-N 3.06Å
118I98.1Very high95.8Very high25 Ų2537.6 Ų37.613%0.12820%0.203CC..EExtended strand (participates in β ladder)trans-117.1113.2-178.8-45.8-61.4000109.3L94 D95 L96 E138 S140L94-I118 PolarHBondContact O-N 3.35Å; D95-I118 HydrophobicContact CB-CB 4.28Å; L96-I118 PolarHBondContact N-O 3.45Å; I118-E138 HydrophobicContact CD1-CG 3.96Å; I118-S140 CarbonylContact C-O 3.5Å; I118-S140 WeakPolarHBondContact CA-O 3.41Å
119L98.3Very high95.8Very high0 Ų038.7 Ų38.70%021%0.211CC..  trans-119.510-179.9-59.5179.1000112.1L96 I104 F108 L117 N122 I124 I127 F139 S140 A141 N144L96-L119 HydrophobicContact CB-CD2 3.99Å; L96-L119 HydrophobicContact CD1-CD2 3.78Å; L96-L119 HydrophobicContact CG-CD2 4.32Å; I104-L119 HydrophobicContact CD1-CD1 4.46Å; I104-L119 HydrophobicContact CD1-CD2 4.17Å; I104-L119 HydrophobicContact CG1-CD1 4.46Å; F108-L119 HydrophobicContact CZ-CD1 4.43Å; L117-L119 HydrophobicContact CD1-CD1 4.35Å; L117-L119 HydrophobicContact CD1-CD2 3.89Å; L117-L119 HydrophobicContact CD1-CG 3.96Å; L117-L119 HydrophobicContact CD2-CD1 4.29Å; L117-L119 HydrophobicContact CG-CD1 4.3Å; L117-L119 HydrophobicContact CG-CG 4.1Å; L119-N122 PolarHBondContact O-ND2 2.86Å; L119-I124 HydrophobicContact CB-CD1 3.9Å; L119-I124 HydrophobicContact CD1-CD1 4.27Å; L119-I124 HydrophobicContact CG-CD1 4.5Å; L119-I127 HydrophobicContact CD1-CD1 3.89Å; L119-I127 HydrophobicContact CD1-CG1 4.39Å; L119-F139 HydrophobicContact CD1-CE2 4.2Å; L119-S140 PolarHBondContact N-O 2.79Å; L119-A141 HydrophobicContact CB-CB 4.28Å; L119-N144 PolarHBondContact O-ND2 3.19Å
120S97.8Very high96.2Very high7 Ų734.7 Ų34.75%0.04919%0.19CC..  trans-62.4145.3-171.5-75.30000113.9S97 F98 S140 S142S97-S120 CarbonylContact C-O 3.2Å; S97-S120 WeakPolarHBondContact CA-O 3.38Å; S97-S120 VanDerWaalsContact CB-O 3.24Å; S97-S120 WeakPolarHBondContact CB-O 3.49Å; F98-S120 PolarHBondContact N-O 3.01Å; S120-S140 PolarHBondContact N-O 3.4Å; S120-S140 PolarHBondContact OG-OG 3.3Å; S120-S142 CarbonylContact C-O 3.41Å; S120-S142 WeakPolarHBondContact CA-O 3.32Å; S120-S142 VanDerWaalsContact CB-OG 3.29Å; S120-S142 WeakPolarHBondContact CB-OG 3.36Å; S120-S142 PolarHBondContact OG-N 3.06Å; S120-S142 PolarHBondContact OG-OG 2.84Å
121G97.1Very high96.5Very high18 Ų1833.2 Ų33.219%0.18618%0.183CC..SBendtrans71.938.9175.600000114F98 S142 K143F98-G121 VanDerWaalsContact CA-O 3.29Å; F98-G121 WeakPolarHBondContact CA-O 3.41Å; G121-S142 PolarHBondContact N-O 3.36Å; G121-K143 VanDerWaalsContact CA-O 3.29Å; G121-K143 WeakPolarHBondContact CA-O 3.47Å; G121-K143 PolarHBondContact N-O 3.1Å
122N98.2Very high96.4Very high10 Ų1033.8 Ų33.85%0.05319%0.189CC..SBendtrans-115.2-166.1174.8-82.4-75.8000110.5L96 N99 I101 L119 I124 K143 N144L96-N122 PolarHBondContact O-ND2 2.94Å; N99-N122 VanDerWaalsContact CA-OD1 3.27Å; N99-N122 WeakPolarHBondContact CA-OD1 3.29Å; N99-N122 WeakPolarHBondContact CB-OD1 3.06Å; N99-N122 PolarHBondContact N-OD1 2.82Å; N99-N122 PolarHBondContact O-OD1 3.22Å; I101-N122 HydrophobicContact CB-CB 4.33Å; I101-N122 WeakPolarHBondContact CB-OD1 3.24Å; I101-N122 WeakPolarHBondContact CG1-OD1 3.29Å; I101-N122 PolarHBondContact N-OD1 3.41Å; L119-N122 PolarHBondContact O-ND2 2.86Å; N122-I124 HydrophobicContact CB-CD1 3.87Å; N122-I124 HydrophobicContact CB-CG1 3.81Å; N122-K143 PolarHBondContact N-O 2.87Å; N122-N144 VanDerWaalsContact CA-OD1 3.29Å; N122-N144 WeakPolarHBondContact CA-OD1 3.16Å; N122-N144 WeakPolarHBondContact CB-OD1 3.13Å; N122-N144 PolarHBondContact N-OD1 3.23Å; N122-N144 PolarHBondContact O-OD1 3.22Å
123K97.5Very high96.6Very high101 Ų10131.1 Ų31.144%0.43917%0.17SC..  trans-11528.4176.6-61.4175.8-174.8165.60111.2N100 I101 Q125 N144N100-K123 WeakPolarHBondContact OD1-CE 3.35Å; N100-K123 PolarHBondContact OD1-NZ 3.26Å; I101-K123 CarbonylContact O-C 3.52Å; I101-K123 VanDerWaalsContact O-C 3.22Å; I101-K123 WeakPolarHBondContact O-CA 3.16Å; I101-K123 PolarHBondContact O-N 3.38Å; K123-Q125 PolarHBondContact O-N 2.83Å; K123-N144 PolarHBondContact N-OD1 2.59Å
124I98Very high96.6Very high0 Ų032.6 Ų32.60%017%0.173CC..  trans-72.2126.1-171.9-57163.9000109.5I101 I104 L119 N122 N126 I127 N144 Q145 L146I101-I124 HydrophobicContact CB-CG1 4.44Å; I101-I124 HydrophobicContact CG2-CG1 4.19Å; I101-I124 WeakPolarHBondContact O-CG1 3.48Å; I101-I124 PolarHBondContact O-N 3.07Å; I104-I124 HydrophobicContact CD1-CD1 3.86Å; I104-I124 HydrophobicContact CD1-CG1 4.43Å; I104-I124 HydrophobicContact CG1-CD1 3.92Å; I104-I124 HydrophobicContact CG1-CG1 4.3Å; I104-I124 HydrophobicContact CG1-CG2 4.19Å; L119-I124 HydrophobicContact CB-CD1 3.9Å; L119-I124 HydrophobicContact CD1-CD1 4.27Å; L119-I124 HydrophobicContact CG-CD1 4.5Å; N122-I124 HydrophobicContact CB-CD1 3.87Å; N122-I124 HydrophobicContact CB-CG1 3.81Å; I124-N126 WeakPolarHBondContact CG2-O 3.38Å; I124-I127 HydrophobicContact CG2-CG1 3.74Å; I124-N144 HydrophobicContact CB-CB 4.45Å; I124-N144 WeakPolarHBondContact CB-OD1 3.14Å; I124-N144 WeakPolarHBondContact CG1-OD1 3.23Å; I124-N144 PolarHBondContact N-OD1 3.13Å; I124-Q145 CarbonylContact O-C 3.57Å; I124-Q145 WeakPolarHBondContact O-CA 3.25Å; I124-Q145 PolarHBondContact O-N 3.14Å; I124-L146 HydrophobicContact CB-CD2 4.38Å; I124-L146 HydrophobicContact CG2-CD2 3.88Å; I124-L146 PolarHBondContact O-N 3.34Å
125Q96.6Very high96.5Very high108 Ų10834.7 Ų34.751%0.50519%0.188SC..SBendtrans-94.7-35.9177.2-67.1178.94.200112.6K123 Q145 L146K123-Q125 PolarHBondContact O-N 2.83Å; Q125-Q145 HydrophobicContact CG-CB 4.02Å; Q125-L146 WeakPolarHBondContact O-CA 3.39Å
126N95.6Very high96.5Very high105 Ų10532.8 Ų32.856%0.56117%0.174SC*.  trans-139143.4178-64.5-59.3000109.8I124I124-N126 WeakPolarHBondContact CG2-O 3.38Å
127I96.8Very high96.5Very high15 Ų1536.3 Ų36.38%0.07719%0.189CC..  trans-113131.7173-66.1173.2000106.7F108 L119 I124 V130 F139 A141 L146 P150F108-I127 HydrophobicContact CD2-CG2 4.49Å; F108-I127 HydrophobicContact CE2-CG2 3.78Å; L119-I127 HydrophobicContact CD1-CD1 3.89Å; L119-I127 HydrophobicContact CD1-CG1 4.39Å; I124-I127 HydrophobicContact CG2-CG1 3.74Å; I127-V130 HydrophobicContact CG2-CG1 4.11Å; I127-F139 HydrophobicContact CD1-CE2 4.35Å; I127-F139 HydrophobicContact CD1-CZ 3.74Å; I127-A141 HydrophobicContact CD1-CB 3.85Å; I127-L146 HydrophobicContact CD1-CD1 3.74Å; I127-L146 HydrophobicContact CD1-CD2 3.88Å; I127-L146 HydrophobicContact CD1-CG 4.46Å; I127-L146 HydrophobicContact CG1-CD2 3.76Å; I127-P150 HydrophobicContact CB-CB 4.01Å; I127-P150 HydrophobicContact CB-CG 4.49Å; I127-P150 HydrophobicContact CG2-CB 3.89Å; I127-P150 HydrophobicContact CG2-CG 4.27Å
128P96Very high96.4Very high18 Ų1840 Ų4012%0.11721%0.206CC..  trans-65.1174179.328.8-35.6000111.8I104 P105 D106 F108 V130I104-P128 HydrophobicContact CB-CG 4.31Å; I104-P128 HydrophobicContact CG2-CG 3.94Å; P105-P128 WeakPolarHBondContact O-CG 3.32Å; D106-P128 WeakPolarHBondContact OD1-CB 3.43Å; F108-P128 HydrophobicContact CD2-CG 3.83Å; F108-P128 HydrophobicContact CE2-CG 3.86Å; P128-V130 PolarHBondContact O-N 2.89Å
129S96.2Very high96.5Very high26 Ų2638.8 Ų38.818%0.18220%0.2CC..  trans-54.3129.4-177.7-172.40000111.2Q131 E151S129-Q131 WeakPolarHBondContact OG-CG 3.07Å; S129-E151 PolarHBondContact OG-O 3.36Å
130V96.9Very high96.4Very high0 Ų039.7 Ų39.70%021%0.206CC..  trans-99.16.6179-66.50000111.9F108 I127 P128 G132 L133 P150 E151 I153 L156F108-V130 HydrophobicContact CD2-CG1 3.99Å; F108-V130 HydrophobicContact CE2-CG1 4.4Å; I127-V130 HydrophobicContact CG2-CG1 4.11Å; P128-V130 PolarHBondContact O-N 2.89Å; V130-G132 PolarHBondContact O-N 2.97Å; V130-G132 VanDerWaalsContact O-N 3.07Å; V130-L133 HydrophobicContact CB-CD1 4.05Å; V130-L133 HydrophobicContact CB-CG 4.49Å; V130-L133 HydrophobicContact CG1-CD1 4.15Å; V130-L133 WeakPolarHBondContact O-CB 3.49Å; V130-L133 PolarHBondContact O-N 3.39Å; V130-P150 HydrophobicContact CG1-CB 3.87Å; V130-P150 HydrophobicContact CG1-CG 3.9Å; V130-P150 HydrophobicContact CG2-CB 4.03Å; V130-P150 HydrophobicContact CG2-CG 3.85Å; V130-E151 WeakPolarHBondContact CG2-O 3.25Å; V130-E151 PolarHBondContact N-O 2.99Å; V130-I153 HydrophobicContact CG2-CB 4.21Å; V130-I153 HydrophobicContact CG2-CD1 4.11Å; V130-L156 HydrophobicContact CB-CD1 4.37Å; V130-L156 HydrophobicContact CG2-CD1 4Å; V130-L156 WeakPolarHBondContact O-CD2 3.26Å
131Q94.7Very high96.5Very high78 Ų7839.3 Ų39.336%0.36420%0.204SC..THydrogen-bonded Turntrans-56.9-28.8-173.469.2-177.7-12.600114S129 L133 K134 L155S129-Q131 WeakPolarHBondContact OG-CG 3.07Å; Q131-L133 VanDerWaalsContact C-N 3.32Å; Q131-L133 PolarHBondContact O-N 2.9Å; Q131-K134 WeakPolarHBondContact O-CD 3.47Å; Q131-K134 WeakPolarHBondContact O-CE 3.45Å; Q131-K134 PolarHBondContact O-NZ 3.07Å; Q131-L155 HydrophobicContact CB-CD1 4.23Å
132G93.7Very high96.5Very high12 Ų1239.3 Ų39.312%0.12420%0.201CC..THydrogen-bonded Turntrans-71.8-18.6178.400000115V130 K134V130-G132 PolarHBondContact O-N 2.97Å; V130-G132 VanDerWaalsContact O-N 3.07Å; G132-K134 PolarHBondContact O-N 3.5Å
133L96.3Very high96.5Very high0 Ų044 Ų440%022%0.221CC..  trans-79.255.2-175.6-52.9-178.8000112.4F108 L111 L114 L117 V130 Q131 S135 L136 L156F108-L133 HydrophobicContact CB-CD1 4.13Å; F108-L133 HydrophobicContact CB-CD2 3.85Å; F108-L133 HydrophobicContact CB-CG 3.94Å; F108-L133 HydrophobicContact CD1-CD1 4.08Å; F108-L133 HydrophobicContact CD1-CD2 4.14Å; F108-L133 HydrophobicContact CG-CD1 4.05Å; F108-L133 HydrophobicContact CG-CD2 4.32Å; F108-L133 HydrophobicContact CG-CG 4.39Å; F108-L133 WeakPolarHBondContact O-CD2 3.48Å; L111-L133 HydrophobicContact CB-CD2 3.88Å; L111-L133 WeakPolarHBondContact O-CD2 3.47Å; L114-L133 HydrophobicContact CB-CD2 4.11Å; L114-L133 HydrophobicContact CD2-CD1 4.39Å; L114-L133 HydrophobicContact CD2-CD2 4.02Å; L117-L133 HydrophobicContact CD2-CD1 3.88Å; V130-L133 HydrophobicContact CB-CD1 4.05Å; V130-L133 HydrophobicContact CB-CG 4.49Å; V130-L133 HydrophobicContact CG1-CD1 4.15Å; V130-L133 WeakPolarHBondContact O-CB 3.49Å; V130-L133 PolarHBondContact O-N 3.39Å; Q131-L133 VanDerWaalsContact C-N 3.32Å; Q131-L133 PolarHBondContact O-N 2.9Å; L133-S135 PolarHBondContact O-N 2.82Å; L133-S135 VanDerWaalsContact O-N 3.09Å; L133-L136 HydrophobicContact CB-CB 3.96Å; L133-L136 HydrophobicContact CB-CD2 4.2Å; L133-L136 HydrophobicContact CB-CG 4.49Å; L133-L136 HydrophobicContact CD1-CD1 4.38Å; L133-L136 HydrophobicContact CD1-CD2 3.87Å; L133-L136 VanDerWaalsContact O-CB 3.25Å; L133-L136 WeakPolarHBondContact O-CB 3.41Å; L133-L136 PolarHBondContact O-N 2.88Å; L133-L156 HydrophobicContact CB-CD2 4.44Å; L133-L156 WeakPolarHBondContact O-CD2 3.42Å
134K91.9Very high96.5Very high107 Ų10739.8 Ų39.847%0.46520%0.203SC..THydrogen-bonded Turntrans-60.4-24.2-172.9-59.4-53.5-173.1-164.30114.1Q131 G132 N158Q131-K134 WeakPolarHBondContact O-CD 3.47Å; Q131-K134 WeakPolarHBondContact O-CE 3.45Å; Q131-K134 PolarHBondContact O-NZ 3.07Å; G132-K134 PolarHBondContact O-N 3.5Å; K134-N158 PolarHBondContact O-ND2 3.48Å
135S94Very high96.5Very high44 Ų4443.4 Ų43.431%0.30822%0.22SC..THydrogen-bonded Turntrans-93.32.3179.3-54.50000113.9S112 L114 S115 L133 H137S112-S135 VanDerWaalsContact O-CB 3.27Å; S112-S135 WeakPolarHBondContact O-CB 3.18Å; S112-S135 PolarHBondContact O-OG 2.92Å; L114-S135 CarbonylContact O-C 3.47Å; S115-S135 WeakPolarHBondContact CA-O 3.27Å; L133-S135 PolarHBondContact O-N 2.82Å; L133-S135 VanDerWaalsContact O-N 3.09Å; S135-H137 PolarHBondContact O-N 3.02Å
136L97.4Very high96.5Very high0 Ų038.3 Ų38.30%020%0.196CC..  trans-67.1125.1-172.6-156.769.6000111.4L114 L117 L133 F139 L156 N158 L159L114-L136 HydrophobicContact CD2-CD1 4.31Å; L114-L136 HydrophobicContact CG-CD1 4.31Å; L114-L136 VanDerWaalsContact O-CA 3.29Å; L114-L136 WeakPolarHBondContact O-CA 3.21Å; L114-L136 PolarHBondContact O-N 3.23Å; L114-L136 VanDerWaalsContact O-N 3.13Å; L117-L136 HydrophobicContact CB-CD1 3.86Å; L133-L136 HydrophobicContact CB-CB 3.96Å; L133-L136 HydrophobicContact CB-CD2 4.2Å; L133-L136 HydrophobicContact CB-CG 4.49Å; L133-L136 HydrophobicContact CD1-CD1 4.38Å; L133-L136 HydrophobicContact CD1-CD2 3.87Å; L133-L136 VanDerWaalsContact O-CB 3.25Å; L133-L136 WeakPolarHBondContact O-CB 3.41Å; L133-L136 PolarHBondContact O-N 2.88Å; L136-F139 HydrophobicContact CD2-CB 3.85Å; L136-F139 HydrophobicContact CD2-CG 4.31Å; L136-L156 HydrophobicContact CB-CD1 4.28Å; L136-L156 HydrophobicContact CD2-CD1 3.7Å; L136-N158 CarbonylContact O-C 3.56Å; L136-L159 HydrophobicContact CB-CD1 4.48Å; L136-L159 HydrophobicContact CD2-CD1 4.09Å; L136-L159 HydrophobicContact CG-CD1 4.1Å; L136-L159 VanDerWaalsContact O-CA 3.27Å; L136-L159 WeakPolarHBondContact O-CA 3.44Å; L136-L159 PolarHBondContact O-N 2.97Å; L136-L159 VanDerWaalsContact O-N 3.1Å
137H96.6Very high96.6Very high88 Ų8836.3 Ų36.341%0.40719%0.188SC..  trans-107.8-30.9176-70.5-31000112.1S115 S135 N158 A160 V161S115-H137 WeakPolarHBondContact O-CA 3.33Å; S115-H137 PolarHBondContact O-N 3.18Å; S135-H137 PolarHBondContact O-N 3.02Å; H137-N158 PolarHBondContact ND1-O 3.09Å; H137-A160 WeakPolarHBondContact O-CA 3.43Å; H137-A160 PolarHBondContact O-N 2.88Å; H137-V161 PolarHBondContact O-N 2.78Å
138E97.6Very high96.6Very high78 Ų7840.1 Ų40.136%0.36421%0.208SC..EExtended strand (participates in β ladder)trans-131.8127.4-178.6179.3175.2-148.800110.3S115 S116 L117 I118 V161S115-E138 PolarHBondContact O-N 2.7Å; S116-E138 WeakPolarHBondContact CA-O 3.28Å; S116-E138 PolarHBondContact OG-OE2 2.82Å; L117-E138 PolarHBondContact N-O 2.97Å; I118-E138 HydrophobicContact CD1-CG 3.96Å; E138-V161 WeakPolarHBondContact CA-O 3.46Å; E138-V161 HydrophobicContact CB-CB 4.43Å; E138-V161 HydrophobicContact CG-CB 4.22Å; E138-V161 HydrophobicContact CG-CG1 4.4Å
139F98.4Very high96.7Very high0 Ų040.3 Ų40.30%021%0.208CC..EExtended strand (participates in β ladder)trans-131.6118.6172.6-179-139.1000109.8L117 L119 I127 L136 A141 P150 I153 L159 V161 L162 D163L117-F139 HydrophobicContact CB-CD2 4.12Å; L117-F139 HydrophobicContact CD2-CD2 3.85Å; L117-F139 HydrophobicContact CD2-CE2 3.75Å; L117-F139 HydrophobicContact CG-CD2 3.97Å; L117-F139 HydrophobicContact CG-CE2 4.11Å; L117-F139 WeakPolarHBondContact O-CA 3.34Å; L119-F139 HydrophobicContact CD1-CE2 4.2Å; I127-F139 HydrophobicContact CD1-CE2 4.35Å; I127-F139 HydrophobicContact CD1-CZ 3.74Å; L136-F139 HydrophobicContact CD2-CB 3.85Å; L136-F139 HydrophobicContact CD2-CG 4.31Å; F139-A141 HydrophobicContact CE2-CB 4.18Å; F139-A141 HydrophobicContact CZ-CB 4.04Å; F139-P150 HydrophobicContact CE1-CG 3.81Å; F139-P150 HydrophobicContact CZ-CG 4.12Å; F139-I153 HydrophobicContact CD1-CD1 3.68Å; F139-I153 HydrophobicContact CE1-CD1 4.01Å; F139-L159 HydrophobicContact CB-CD1 3.79Å; F139-V161 PolarHBondContact N-O 3.14Å; F139-L162 HydrophobicContact CB-CD1 4.31Å; F139-L162 HydrophobicContact CD1-CD1 3.55Å; F139-L162 HydrophobicContact CE1-CD1 4.3Å; F139-L162 HydrophobicContact CG-CD1 4.32Å; F139-L162 WeakPolarHBondContact O-CA 3.41Å; F139-D163 PolarHBondContact O-N 3.06Å
140S98.1Very high96.7Very high18 Ų1839.3 Ų39.313%0.12620%0.201CC..EExtended strand (participates in β ladder)trans-128.1117.3-180-173.60000109.7L117 I118 L119 S120 D163L117-S140 PolarHBondContact O-N 3.06Å; I118-S140 CarbonylContact C-O 3.5Å; I118-S140 WeakPolarHBondContact CA-O 3.41Å; L119-S140 PolarHBondContact N-O 2.79Å; S120-S140 PolarHBondContact N-O 3.4Å; S120-S140 PolarHBondContact OG-OG 3.3Å; S140-D163 CarbonylContact C-O 3.49Å; S140-D163 WeakPolarHBondContact CA-O 3.44Å
141A98.2Very high96.6Very high0 Ų046.2 Ų46.20%023%0.233CC..  trans-133.233.1175.500000110.8L119 I127 F139 N144 L146 D163 N167L119-A141 HydrophobicContact CB-CB 4.28Å; I127-A141 HydrophobicContact CD1-CB 3.85Å; F139-A141 HydrophobicContact CE2-CB 4.18Å; F139-A141 HydrophobicContact CZ-CB 4.04Å; A141-N144 PolarHBondContact O-ND2 3.4Å; A141-L146 HydrophobicContact CB-CD1 3.88Å; A141-D163 PolarHBondContact N-O 2.81Å; A141-N167 PolarHBondContact O-ND2 3.46Å
142S97.5Very high96.6Very high17 Ų1742.6 Ų42.612%0.11922%0.217CC..  trans-62.2158.4178.971.80000112.3S120 G121 N144 D163 S165S120-S142 CarbonylContact C-O 3.41Å; S120-S142 WeakPolarHBondContact CA-O 3.32Å; S120-S142 VanDerWaalsContact CB-OG 3.29Å; S120-S142 WeakPolarHBondContact CB-OG 3.36Å; S120-S142 PolarHBondContact OG-N 3.06Å; S120-S142 PolarHBondContact OG-OG 2.84Å; G121-S142 PolarHBondContact N-O 3.36Å; S142-N144 PolarHBondContact O-N 3.35Å; S142-N144 PolarHBondContact O-ND2 3.31Å; S142-D163 PolarHBondContact N-O 3.41Å; S142-S165 CarbonylContact C-O 3.6Å; S142-S165 WeakPolarHBondContact CA-O 3.43Å; S142-S165 WeakPolarHBondContact CB-O 3.14Å; S142-S165 WeakPolarHBondContact CB-OG 3.42Å
143K97.5Very high96.7Very high110 Ų11042 Ų4248%0.47821%0.211SC..SBendtrans54.151.9177.3-59.6178.7179.9179.30112.2G121 N122 S165 Y166G121-K143 VanDerWaalsContact CA-O 3.29Å; G121-K143 WeakPolarHBondContact CA-O 3.47Å; G121-K143 PolarHBondContact N-O 3.1Å; N122-K143 PolarHBondContact N-O 2.87Å; K143-S165 PolarHBondContact N-O 3.43Å; K143-Y166 WeakPolarHBondContact CA-O 3.36Å; K143-Y166 HydrophobicContact CG-CD2 4.3Å; K143-Y166 HydrophobicContact CG-CG 4.08Å; K143-Y166 PolarHBondContact N-O 3.35Å
144N98.3Very high96.6Very high12 Ų1244.3 Ų44.36%0.06422%0.221CC..SBendtrans-124.8-164.2174.1-86.9-73.4000109.2L119 N122 K123 I124 A141 S142 L146 Y166 N167L119-N144 PolarHBondContact O-ND2 3.19Å; N122-N144 VanDerWaalsContact CA-OD1 3.29Å; N122-N144 WeakPolarHBondContact CA-OD1 3.16Å; N122-N144 WeakPolarHBondContact CB-OD1 3.13Å; N122-N144 PolarHBondContact N-OD1 3.23Å; N122-N144 PolarHBondContact O-OD1 3.22Å; K123-N144 PolarHBondContact N-OD1 2.59Å; I124-N144 HydrophobicContact CB-CB 4.45Å; I124-N144 WeakPolarHBondContact CB-OD1 3.14Å; I124-N144 WeakPolarHBondContact CG1-OD1 3.23Å; I124-N144 PolarHBondContact N-OD1 3.13Å; A141-N144 PolarHBondContact O-ND2 3.4Å; S142-N144 PolarHBondContact O-N 3.35Å; S142-N144 PolarHBondContact O-ND2 3.31Å; N144-L146 HydrophobicContact CB-CG 4.1Å; N144-Y166 PolarHBondContact N-O 3.11Å; N144-N167 VanDerWaalsContact CA-OD1 3.25Å; N144-N167 WeakPolarHBondContact CA-OD1 3.25Å; N144-N167 WeakPolarHBondContact CB-OD1 3.4Å; N144-N167 PolarHBondContact N-OD1 3.25Å; N144-N167 PolarHBondContact O-OD1 3.25Å
145Q97.7Very high96.7Very high75 Ų7543 Ų4335%0.3522%0.219SC..  trans-117.325.7178.8-61.117224.300111.4I124 Q125 T147 N167I124-Q145 CarbonylContact O-C 3.57Å; I124-Q145 WeakPolarHBondContact O-CA 3.25Å; I124-Q145 PolarHBondContact O-N 3.14Å; Q125-Q145 HydrophobicContact CG-CB 4.02Å; Q145-T147 PolarHBondContact O-N 3.01Å; Q145-N167 PolarHBondContact N-OD1 3.17Å
146L98Very high96.8Very high1 Ų141 Ų411%0.00521%0.205CC..  trans-64.4129.6-175.2-57.6176.3000110.9I124 Q125 I127 A141 N144 N167 N168 I169I124-L146 HydrophobicContact CB-CD2 4.38Å; I124-L146 HydrophobicContact CG2-CD2 3.88Å; I124-L146 PolarHBondContact O-N 3.34Å; Q125-L146 WeakPolarHBondContact O-CA 3.39Å; I127-L146 HydrophobicContact CD1-CD1 3.74Å; I127-L146 HydrophobicContact CD1-CD2 3.88Å; I127-L146 HydrophobicContact CD1-CG 4.46Å; I127-L146 HydrophobicContact CG1-CD2 3.76Å; A141-L146 HydrophobicContact CB-CD1 3.88Å; N144-L146 HydrophobicContact CB-CG 4.1Å; L146-N167 HydrophobicContact CB-CB 4.22Å; L146-N167 WeakPolarHBondContact CB-OD1 3.4Å; L146-N167 WeakPolarHBondContact CG-OD1 3.42Å; L146-N167 PolarHBondContact N-OD1 3.47Å; L146-N168 CarbonylContact O-C 3.59Å; L146-N168 VanDerWaalsContact O-CA 3.27Å; L146-N168 WeakPolarHBondContact O-CA 3.29Å; L146-N168 PolarHBondContact O-N 3.07Å; L146-I169 HydrophobicContact CB-CG1 4.29Å; L146-I169 PolarHBondContact O-N 2.95Å; L146-I169 VanDerWaalsContact O-N 3.12Å
147T97.1Very high96.6Very high64 Ų6444.2 Ų44.239%0.39323%0.225SC..SBendtrans-95.2-17.9175.154.50000113.2Q145 N168 I169 S170Q145-T147 PolarHBondContact O-N 3.01Å; T147-N168 HydrophobicContact CG2-CB 4.35Å; T147-I169 WeakPolarHBondContact O-CA 3.13Å; T147-S170 PolarHBondContact O-N 3.03Å
148L97Very high96.4Very high95 Ų9542.9 Ų42.950%0.49722%0.221SC..SBendtrans-144.5159.5-178.6-65.3169.6000109.3
149L96.9Very high96.4Very high21 Ų2139.2 Ų39.211%0.1120%0.204CC..PPolyproline II helixtrans-71.7152.2164.4-69.7-177.6000110.7I153 V164 I169 L172 P173 L176 F187L149-I153 HydrophobicContact CB-CG2 4.09Å; L149-I153 HydrophobicContact CD1-CG2 4.13Å; L149-V164 HydrophobicContact CD2-CB 4.29Å; L149-V164 HydrophobicContact CD2-CG1 3.79Å; L149-V164 HydrophobicContact CD2-CG2 3.94Å; L149-I169 HydrophobicContact CD2-CD1 3.83Å; L149-I169 HydrophobicContact CG-CD1 4.42Å; L149-L172 HydrophobicContact CD1-CD2 3.71Å; L149-L172 HydrophobicContact CG-CD2 4.02Å; L149-P173 HydrophobicContact CD1-CG 4.43Å; L149-L176 HydrophobicContact CD1-CD1 4.14Å; L149-L176 HydrophobicContact CD1-CD2 3.89Å; L149-F187 HydrophobicContact CD1-CE1 4.3Å
150P96.4Very high96.3Very high6 Ų640 Ų404%0.03921%0.21CC..PPolyproline II helixtrans-63.3149.2176.625.6-33.1000111.9I127 V130 F139 I153I127-P150 HydrophobicContact CB-CB 4.01Å; I127-P150 HydrophobicContact CB-CG 4.49Å; I127-P150 HydrophobicContact CG2-CB 3.89Å; I127-P150 HydrophobicContact CG2-CG 4.27Å; V130-P150 HydrophobicContact CG1-CB 3.87Å; V130-P150 HydrophobicContact CG1-CG 3.9Å; V130-P150 HydrophobicContact CG2-CB 4.03Å; V130-P150 HydrophobicContact CG2-CG 3.85Å; F139-P150 HydrophobicContact CE1-CG 3.81Å; F139-P150 HydrophobicContact CZ-CG 4.12Å; P150-I153 HydrophobicContact CG-CB 4.4Å; P150-I153 HydrophobicContact CG-CD1 4.36Å; P150-I153 WeakPolarHBondContact O-CB 3.46Å; P150-I153 WeakPolarHBondContact O-CG2 3.38Å; P150-I153 PolarHBondContact O-N 3.05Å
151E95.3Very high96.2Very high144 Ų14441.7 Ų41.767%0.67322%0.219SC*.THydrogen-bonded Turntrans-60.2140.9175.2-171.9177.4176.500110.9S129 V130 I153S129-E151 PolarHBondContact OG-O 3.36Å; V130-E151 WeakPolarHBondContact CG2-O 3.25Å; V130-E151 PolarHBondContact N-O 2.99Å; E151-I153 VanDerWaalsContact C-N 3.28Å; E151-I153 PolarHBondContact O-N 3.48Å
152G94.5Very high96.2Very high3 Ų341.7 Ų41.73%0.03122%0.22CC..THydrogen-bonded Turntrans80.40.8178.500000114.9Q154 L155G152-Q154 PolarHBondContact O-N 3.17Å; G152-L155 VanDerWaalsContact O-CB 3.28Å; G152-L155 WeakPolarHBondContact O-CB 3.35Å; G152-L155 PolarHBondContact O-N 3.06Å
153I96.4Very high96.2Very high0 Ų042.7 Ų42.70%022%0.224CC..G310 helixtrans-53.2-40.2177.5-168.468.6000112V130 F139 L149 P150 E151 L155 L156 L159 L162 P173 L176 L179V130-I153 HydrophobicContact CG2-CB 4.21Å; V130-I153 HydrophobicContact CG2-CD1 4.11Å; F139-I153 HydrophobicContact CD1-CD1 3.68Å; F139-I153 HydrophobicContact CE1-CD1 4.01Å; L149-I153 HydrophobicContact CB-CG2 4.09Å; L149-I153 HydrophobicContact CD1-CG2 4.13Å; P150-I153 HydrophobicContact CG-CB 4.4Å; P150-I153 HydrophobicContact CG-CD1 4.36Å; P150-I153 WeakPolarHBondContact O-CB 3.46Å; P150-I153 WeakPolarHBondContact O-CG2 3.38Å; P150-I153 PolarHBondContact O-N 3.05Å; E151-I153 VanDerWaalsContact C-N 3.28Å; E151-I153 PolarHBondContact O-N 3.48Å; I153-L155 PolarHBondContact O-N 3.07Å; I153-L155 VanDerWaalsContact O-N 3.13Å; I153-L156 HydrophobicContact CD1-CD1 3.95Å; I153-L156 WeakPolarHBondContact O-CB 3.46Å; I153-L156 WeakPolarHBondContact O-CG 3.48Å; I153-L156 PolarHBondContact O-N 3.34Å; I153-L156 VanDerWaalsContact O-N 3.13Å; I153-L159 HydrophobicContact CD1-CD2 4.04Å; I153-L162 HydrophobicContact CD1-CD1 4.49Å; I153-P173 HydrophobicContact CG2-CG 4.36Å; I153-L176 HydrophobicContact CG2-CD2 4.12Å; I153-L179 VanDerWaalsContact O-CD2 3.29Å; I153-L179 WeakPolarHBondContact O-CD2 3.06Å
154Q93.3Very high96.3Very high47 Ų4737.5 Ų37.522%0.2220%0.201CC..G310 helixtrans-65.3-14.1179.168.3-83.52100114.1G152 D175 N178G152-Q154 PolarHBondContact O-N 3.17Å; Q154-D175 HydrophobicContact CB-CB 4.25Å; Q154-D175 HydrophobicContact CG-CB 4.18Å; Q154-N178 WeakPolarHBondContact O-CB 3.41Å
155L94.5Very high96.3Very high80 Ų8037.1 Ų37.142%0.41920%0.2SC..G310 helixtrans-88.5-8.6178.2-55.2175.8000112.6Q131 G152 I153 T157Q131-L155 HydrophobicContact CB-CD1 4.23Å; G152-L155 VanDerWaalsContact O-CB 3.28Å; G152-L155 WeakPolarHBondContact O-CB 3.35Å; G152-L155 PolarHBondContact O-N 3.06Å; I153-L155 PolarHBondContact O-N 3.07Å; I153-L155 VanDerWaalsContact O-N 3.13Å; L155-T157 VanDerWaalsContact C-N 3.25Å; L155-T157 PolarHBondContact O-N 2.88Å
156L95.5Very high96.3Very high1 Ų139.3 Ų39.31%0.00521%0.205CC..  trans-81.469.1-177.4-55-168000111V130 L133 L136 I153 N158 L159 L179V130-L156 HydrophobicContact CB-CD1 4.37Å; V130-L156 HydrophobicContact CG2-CD1 4Å; V130-L156 WeakPolarHBondContact O-CD2 3.26Å; L133-L156 HydrophobicContact CB-CD2 4.44Å; L133-L156 WeakPolarHBondContact O-CD2 3.42Å; L136-L156 HydrophobicContact CB-CD1 4.28Å; L136-L156 HydrophobicContact CD2-CD1 3.7Å; I153-L156 HydrophobicContact CD1-CD1 3.95Å; I153-L156 WeakPolarHBondContact O-CB 3.46Å; I153-L156 WeakPolarHBondContact O-CG 3.48Å; I153-L156 PolarHBondContact O-N 3.34Å; I153-L156 VanDerWaalsContact O-N 3.13Å; L156-N158 PolarHBondContact O-N 2.8Å; L156-L159 HydrophobicContact CB-CB 4Å; L156-L159 WeakPolarHBondContact O-CB 3.36Å; L156-L159 PolarHBondContact O-N 2.85Å; L156-L179 HydrophobicContact CB-CD2 4.26Å; L156-L179 WeakPolarHBondContact O-CD2 3.34Å
157T93.3Very high96.3Very high69 Ų6939.5 Ų39.542%0.42321%0.207SC..THydrogen-bonded Turntrans-60.2-20-17456.30000114L155 N181L155-T157 VanDerWaalsContact C-N 3.25Å; L155-T157 PolarHBondContact O-N 2.88Å; T157-N181 VanDerWaalsContact O-CB 3.27Å; T157-N181 WeakPolarHBondContact O-CB 3.14Å; T157-N181 PolarHBondContact O-N 3.11Å; T157-N181 PolarHBondContact O-ND2 2.73Å
158N93.7Very high96.3Very high60 Ų6040.4 Ų40.432%0.32121%0.209SC..THydrogen-bonded Turntrans-85.9-9176.2-75.1-35.5000114.4K134 L136 H137 L156 A160K134-N158 PolarHBondContact O-ND2 3.48Å; L136-N158 CarbonylContact O-C 3.56Å; H137-N158 PolarHBondContact ND1-O 3.09Å; L156-N158 PolarHBondContact O-N 2.8Å; N158-A160 PolarHBondContact O-N 3.02Å
159L97.1Very high96.4Very high0 Ų035.9 Ų35.90%019%0.185CC..  trans-66123.2-176.8-166.769.8000110.3L136 F139 I153 L156 L162 L179 N181 L182L136-L159 HydrophobicContact CB-CD1 4.48Å; L136-L159 HydrophobicContact CD2-CD1 4.09Å; L136-L159 HydrophobicContact CG-CD1 4.1Å; L136-L159 VanDerWaalsContact O-CA 3.27Å; L136-L159 WeakPolarHBondContact O-CA 3.44Å; L136-L159 PolarHBondContact O-N 2.97Å; L136-L159 VanDerWaalsContact O-N 3.1Å; F139-L159 HydrophobicContact CB-CD1 3.79Å; I153-L159 HydrophobicContact CD1-CD2 4.04Å; L156-L159 HydrophobicContact CB-CB 4Å; L156-L159 WeakPolarHBondContact O-CB 3.36Å; L156-L159 PolarHBondContact O-N 2.85Å; L159-L162 HydrophobicContact CD2-CB 4.17Å; L159-L162 HydrophobicContact CD2-CD1 4.38Å; L159-L179 HydrophobicContact CB-CD2 4.23Å; L159-L179 HydrophobicContact CD2-CD1 4.29Å; L159-L179 HydrophobicContact CD2-CD2 4.34Å; L159-N181 CarbonylContact O-C 3.33Å; L159-L182 HydrophobicContact CG-CD1 4.5Å; L159-L182 VanDerWaalsContact O-CA 3.25Å; L159-L182 WeakPolarHBondContact O-CA 3.44Å; L159-L182 PolarHBondContact O-N 2.91Å
160A96Very high96.3Very high17 Ų1737.1 Ų37.114%0.1420%0.196CC..  trans-109.3-31-17800000112.5H137 N158 N181 K183 S184H137-A160 WeakPolarHBondContact O-CA 3.43Å; H137-A160 PolarHBondContact O-N 2.88Å; N158-A160 PolarHBondContact O-N 3.02Å; A160-N181 WeakPolarHBondContact CA-O 3.37Å; A160-K183 HydrophobicContact CB-CG 4.48Å; A160-K183 PolarHBondContact O-N 2.98Å; A160-S184 PolarHBondContact O-N 3.12Å
161V96.5Very high96.2Very high53 Ų5341.6 Ų41.632%0.32122%0.219SC..EExtended strand (participates in β ladder)trans-129.3124.3-179.5-177.70000109.1H137 E138 F139 S184H137-V161 PolarHBondContact O-N 2.78Å; E138-V161 WeakPolarHBondContact CA-O 3.46Å; E138-V161 HydrophobicContact CB-CB 4.43Å; E138-V161 HydrophobicContact CG-CB 4.22Å; E138-V161 HydrophobicContact CG-CG1 4.4Å; F139-V161 PolarHBondContact N-O 3.14Å; V161-S184 WeakPolarHBondContact CA-O 3.32Å
162L98Very high96.2Very high1 Ų135.7 Ų35.71%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-126.6117.5174.717659.7000109.5F139 I153 L159 V164 L182 S184 A185 N186 F187F139-L162 HydrophobicContact CB-CD1 4.31Å; F139-L162 HydrophobicContact CD1-CD1 3.55Å; F139-L162 HydrophobicContact CE1-CD1 4.3Å; F139-L162 HydrophobicContact CG-CD1 4.32Å; F139-L162 WeakPolarHBondContact O-CA 3.41Å; I153-L162 HydrophobicContact CD1-CD1 4.49Å; L159-L162 HydrophobicContact CD2-CB 4.17Å; L159-L162 HydrophobicContact CD2-CD1 4.38Å; L162-V164 HydrophobicContact CD1-CG1 3.96Å; L162-L182 HydrophobicContact CB-CD1 3.97Å; L162-S184 PolarHBondContact N-O 2.85Å; L162-A185 CarbonylContact O-C 3.51Å; L162-A185 VanDerWaalsContact O-CA 3.29Å; L162-A185 WeakPolarHBondContact O-CA 3.27Å; L162-N186 PolarHBondContact O-N 3.19Å; L162-F187 HydrophobicContact CD2-CE1 3.92Å; L162-F187 HydrophobicContact CD2-CZ 3.71Å
163D98.1Very high96.1Very high38 Ų3837.5 Ų37.520%0.20320%0.204CC..EExtended strand (participates in β ladder)trans-123.9114.7171.9-165-23.3000110.8F139 S140 A141 S142 S165 N186F139-D163 PolarHBondContact O-N 3.06Å; S140-D163 CarbonylContact C-O 3.49Å; S140-D163 WeakPolarHBondContact CA-O 3.44Å; A141-D163 PolarHBondContact N-O 2.81Å; S142-D163 PolarHBondContact N-O 3.41Å; D163-S165 VanDerWaalsContact OD1-CB 3.29Å; D163-S165 WeakPolarHBondContact OD1-CB 3.41Å; D163-S165 PolarHBondContact OD1-N 3.21Å; D163-S165 PolarHBondContact OD1-OG 3.49Å; D163-N186 HydrophobicContact CB-CB 4.29Å; D163-N186 PolarHBondContact OD1-ND2 2.91Å; D163-N186 PolarHBondContact OD2-ND2 2.78Å
164V98.4Very high95.7Very high0 Ų043 Ų430%023%0.233CC..  trans-128.926.8173.8-65.90000110.5L149 L162 N167 I169 N186 F187 N190L149-V164 HydrophobicContact CD2-CB 4.29Å; L149-V164 HydrophobicContact CD2-CG1 3.79Å; L149-V164 HydrophobicContact CD2-CG2 3.94Å; L162-V164 HydrophobicContact CD1-CG1 3.96Å; V164-N167 PolarHBondContact O-ND2 2.78Å; V164-I169 HydrophobicContact CB-CD1 3.76Å; V164-I169 HydrophobicContact CG1-CD1 4.49Å; V164-I169 HydrophobicContact CG2-CD1 3.65Å; V164-N186 PolarHBondContact N-O 2.94Å; V164-F187 HydrophobicContact CG2-CD1 3.34Å; V164-F187 HydrophobicContact CG2-CE1 3.69Å; V164-F187 HydrophobicContact CG2-CG 4.35Å; V164-N190 PolarHBondContact O-ND2 3Å
165S97.7Very high95.6Very high5 Ų544.5 Ų44.54%0.03524%0.242CC..  trans-63.8158.7179.158.80000112.6S142 K143 D163 N167 N186 S188S142-S165 CarbonylContact C-O 3.6Å; S142-S165 WeakPolarHBondContact CA-O 3.43Å; S142-S165 WeakPolarHBondContact CB-O 3.14Å; S142-S165 WeakPolarHBondContact CB-OG 3.42Å; K143-S165 PolarHBondContact N-O 3.43Å; D163-S165 VanDerWaalsContact OD1-CB 3.29Å; D163-S165 WeakPolarHBondContact OD1-CB 3.41Å; D163-S165 PolarHBondContact OD1-N 3.21Å; D163-S165 PolarHBondContact OD1-OG 3.49Å; S165-N167 PolarHBondContact O-ND2 2.78Å; S165-N186 WeakPolarHBondContact CB-ND2 3.49Å; S165-N186 PolarHBondContact N-O 3.05Å; S165-N186 PolarHBondContact OG-ND2 2.73Å; S165-S188 CarbonylContact C-O 3.58Å; S165-S188 WeakPolarHBondContact CA-O 3.42Å; S165-S188 WeakPolarHBondContact CB-O 3.47Å; S165-S188 WeakPolarHBondContact CB-OG 3.48Å
166Y98.1Very high95.5Very high120 Ų12040.7 Ų40.747%0.47122%0.223SC..SBendtrans55.654.7-178.3-61.1-93.7000112K143 N144 S188 E189K143-Y166 WeakPolarHBondContact CA-O 3.36Å; K143-Y166 HydrophobicContact CG-CD2 4.3Å; K143-Y166 HydrophobicContact CG-CG 4.08Å; K143-Y166 PolarHBondContact N-O 3.35Å; N144-Y166 PolarHBondContact N-O 3.11Å; Y166-S188 PolarHBondContact N-O 2.94Å; Y166-E189 CarbonylContact C-O 3.22Å; Y166-E189 WeakPolarHBondContact CA-O 3.45Å; Y166-E189 HydrophobicContact CD1-CB 3.7Å; Y166-E189 HydrophobicContact CD1-CG 3.87Å; Y166-E189 HydrophobicContact CD2-CB 4.25Å; Y166-E189 HydrophobicContact CD2-CG 4.36Å; Y166-E189 HydrophobicContact CE1-CB 3.96Å; Y166-E189 HydrophobicContact CE1-CG 3.56Å; Y166-E189 HydrophobicContact CE2-CB 4.45Å; Y166-E189 HydrophobicContact CE2-CG 4.05Å; Y166-E189 HydrophobicContact CG-CB 3.86Å; Y166-E189 HydrophobicContact CG-CG 4.27Å; Y166-E189 PolarHBondContact N-O 2.76Å; Y166-E189 VanDerWaalsContact N-O 3.14Å
167N98.5Very high95.3Very high6 Ų643.1 Ų43.13%0.03223%0.233CC..SBendtrans-132-172.2175-85.1-76.1000109.4A141 N144 Q145 L146 V164 S165 I169 E189 N190A141-N167 PolarHBondContact O-ND2 3.46Å; N144-N167 VanDerWaalsContact CA-OD1 3.25Å; N144-N167 WeakPolarHBondContact CA-OD1 3.25Å; N144-N167 WeakPolarHBondContact CB-OD1 3.4Å; N144-N167 PolarHBondContact N-OD1 3.25Å; N144-N167 PolarHBondContact O-OD1 3.25Å; Q145-N167 PolarHBondContact N-OD1 3.17Å; L146-N167 HydrophobicContact CB-CB 4.22Å; L146-N167 WeakPolarHBondContact CB-OD1 3.4Å; L146-N167 WeakPolarHBondContact CG-OD1 3.42Å; L146-N167 PolarHBondContact N-OD1 3.47Å; V164-N167 PolarHBondContact O-ND2 2.78Å; S165-N167 PolarHBondContact O-ND2 2.78Å; N167-I169 HydrophobicContact CB-CD1 4.32Å; N167-I169 HydrophobicContact CB-CG1 4.1Å; N167-E189 PolarHBondContact N-O 3.33Å; N167-N190 WeakPolarHBondContact CA-OD1 3.46Å; N167-N190 WeakPolarHBondContact CB-OD1 2.93Å; N167-N190 WeakPolarHBondContact O-CA 3.49Å; N167-N190 PolarHBondContact O-OD1 2.96Å
168N97.9Very high95.3Very high82 Ų8243.2 Ų43.244%0.43923%0.231SC..  trans-11129.2178-60.8-49.3000111.6L146 T147 S170L146-N168 CarbonylContact O-C 3.59Å; L146-N168 VanDerWaalsContact O-CA 3.27Å; L146-N168 WeakPolarHBondContact O-CA 3.29Å; L146-N168 PolarHBondContact O-N 3.07Å; T147-N168 HydrophobicContact CG2-CB 4.35Å; N168-S170 PolarHBondContact O-N 3.14Å
169I98Very high95.3Very high1 Ų140.4 Ų40.41%0.00522%0.216CC..  trans-67.7121-174.6-59.5169.9000108.9L146 T147 L149 V164 N167 N171 L172 N190 S191 L192L146-I169 HydrophobicContact CB-CG1 4.29Å; L146-I169 PolarHBondContact O-N 2.95Å; L146-I169 VanDerWaalsContact O-N 3.12Å; T147-I169 WeakPolarHBondContact O-CA 3.13Å; L149-I169 HydrophobicContact CD2-CD1 3.83Å; L149-I169 HydrophobicContact CG-CD1 4.42Å; V164-I169 HydrophobicContact CB-CD1 3.76Å; V164-I169 HydrophobicContact CG1-CD1 4.49Å; V164-I169 HydrophobicContact CG2-CD1 3.65Å; N167-I169 HydrophobicContact CB-CD1 4.32Å; N167-I169 HydrophobicContact CB-CG1 4.1Å; I169-N171 VanDerWaalsContact CG2-O 3.22Å; I169-N171 WeakPolarHBondContact CG2-O 3.33Å; I169-L172 HydrophobicContact CG2-CD2 3.93Å; I169-N190 HydrophobicContact CB-CB 4.45Å; I169-N190 WeakPolarHBondContact CB-OD1 3.31Å; I169-N190 WeakPolarHBondContact CG1-OD1 3.15Å; I169-N190 PolarHBondContact N-OD1 3.23Å; I169-S191 CarbonylContact O-C 3.18Å; I169-S191 VanDerWaalsContact O-C 3.22Å; I169-S191 WeakPolarHBondContact O-CA 3.32Å; I169-S191 PolarHBondContact O-N 2.79Å; I169-L192 HydrophobicContact CG2-CD2 4.03Å; I169-L192 WeakPolarHBondContact O-CD2 3.32Å; I169-L192 PolarHBondContact O-N 3.31Å
170S96.1Very high95Very high47 Ų4743.3 Ų43.333%0.32924%0.236SC..  trans-96.9-28.1-176.654.50000113.3T147 N168T147-S170 PolarHBondContact O-N 3.03Å; N168-S170 PolarHBondContact O-N 3.14Å
171N94.1Very high94.9Very high100 Ų10044.4 Ų44.454%0.53524%0.24SC..  trans-141.5151.5-178.4-67-48.3000111I169I169-N171 VanDerWaalsContact CG2-O 3.22Å; I169-N171 WeakPolarHBondContact CG2-O 3.33Å
172L95.4Very high94.9Very high20 Ų2042 Ų4211%0.10523%0.225CC..  trans-116.6145.3172.4-63.7179.3000109.7L149 I169 L176 F187 L192 F195 P196L149-L172 HydrophobicContact CD1-CD2 3.71Å; L149-L172 HydrophobicContact CG-CD2 4.02Å; I169-L172 HydrophobicContact CG2-CD2 3.93Å; L172-L176 HydrophobicContact CB-CD1 3.78Å; L172-L176 HydrophobicContact CD1-CD1 4.07Å; L172-L176 HydrophobicContact CD2-CD1 4.25Å; L172-L176 HydrophobicContact CG-CD1 4.25Å; L172-F187 HydrophobicContact CD1-CD1 4.04Å; L172-F187 HydrophobicContact CD1-CD2 4.4Å; L172-F187 HydrophobicContact CD1-CE1 4.1Å; L172-F187 HydrophobicContact CD1-CE2 4.41Å; L172-F187 HydrophobicContact CD1-CG 4.21Å; L172-F187 HydrophobicContact CD1-CZ 4.27Å; L172-F187 HydrophobicContact CD2-CD1 3.85Å; L172-F187 HydrophobicContact CD2-CE1 3.75Å; L172-L192 HydrophobicContact CD1-CD1 3.9Å; L172-L192 HydrophobicContact CD1-CD2 4.38Å; L172-L192 HydrophobicContact CD2-CD2 4.3Å; L172-L192 HydrophobicContact CG-CD1 4.21Å; L172-L192 HydrophobicContact CG-CD2 3.8Å; L172-F195 HydrophobicContact CD1-CD2 3.99Å; L172-F195 HydrophobicContact CD1-CE2 3.43Å; L172-F195 VanDerWaalsContact CD1-CE2 3.43Å; L172-F195 HydrophobicContact CD1-CZ 3.78Å; L172-P196 HydrophobicContact CB-CG 4.03Å; L172-P196 HydrophobicContact CD1-CG 4.23Å
173P92.5Very high94.7Very high41 Ų4147.3 Ų47.327%0.26625%0.248SC..  trans-67.513917820.4-21.4000110.8L149 I153 D175 L176L149-P173 HydrophobicContact CD1-CG 4.43Å; I153-P173 HydrophobicContact CG2-CG 4.36Å; P173-D175 PolarHBondContact O-N 2.65Å; P173-D175 VanDerWaalsContact O-N 3.11Å; P173-L176 HydrophobicContact CG-CD2 3.95Å; P173-L176 HydrophobicContact CG-CG 3.81Å; P173-L176 WeakPolarHBondContact O-CG 3.37Å; P173-L176 PolarHBondContact O-N 3.25Å
174N87Confident94.5Very high114 Ų11447.1 Ų47.161%0.6125%0.25SC*.G310 helixtrans-61.9-20.1178.4-74.7-29.9000112.5F177 N198N174-F177 WeakPolarHBondContact O-CD1 3.08Å; N174-F177 VanDerWaalsContact O-CE1 3.28Å; N174-F177 WeakPolarHBondContact O-CE1 3.49Å; N174-N198 PolarHBondContact O-ND2 3.26Å; N174-N198 PolarHBondContact O-OD1 3.08Å
175D92.1Very high94.4Very high79 Ų7947.1 Ų47.142%0.42225%0.25SC..G310 helixtrans-90.99.9-178.4-61.2-42.7000114.2Q154 P173 F177 N178Q154-D175 HydrophobicContact CB-CB 4.25Å; Q154-D175 HydrophobicContact CG-CB 4.18Å; P173-D175 PolarHBondContact O-N 2.65Å; P173-D175 VanDerWaalsContact O-N 3.11Å; D175-F177 PolarHBondContact O-N 2.95Å; D175-N178 VanDerWaalsContact O-CB 3.3Å; D175-N178 WeakPolarHBondContact O-CB 3.35Å; D175-N178 PolarHBondContact O-N 2.95Å
176L92.4Very high94.3Very high1 Ų148 Ų481%0.00525%0.254CS..G310 helixtrans-55.9-23.3175.6-80.9-178.2000113.5L149 I153 L172 P173 N178 L179 F187 I199L149-L176 HydrophobicContact CD1-CD1 4.14Å; L149-L176 HydrophobicContact CD1-CD2 3.89Å; I153-L176 HydrophobicContact CG2-CD2 4.12Å; L172-L176 HydrophobicContact CB-CD1 3.78Å; L172-L176 HydrophobicContact CD1-CD1 4.07Å; L172-L176 HydrophobicContact CD2-CD1 4.25Å; L172-L176 HydrophobicContact CG-CD1 4.25Å; P173-L176 HydrophobicContact CG-CD2 3.95Å; P173-L176 HydrophobicContact CG-CG 3.81Å; P173-L176 WeakPolarHBondContact O-CG 3.37Å; P173-L176 PolarHBondContact O-N 3.25Å; L176-N178 PolarHBondContact O-N 2.88Å; L176-N178 VanDerWaalsContact O-N 3.14Å; L176-L179 HydrophobicContact CD2-CD1 4.06Å; L176-L179 WeakPolarHBondContact O-CB 3.07Å; L176-L179 WeakPolarHBondContact O-CG 3.29Å; L176-L179 PolarHBondContact O-N 3.38Å; L176-F187 HydrophobicContact CD1-CZ 4.14Å; L176-I199 HydrophobicContact CB-CD1 3.79Å; L176-I199 HydrophobicContact CD1-CD1 4.36Å
177F91.1Very high94.2Very high52 Ų5242.3 Ų42.323%0.22823%0.232CC..G310 helixtrans-64.1-13.9176.270.6-90.8000114N174 D175 L179 N198 R201N174-F177 WeakPolarHBondContact O-CD1 3.08Å; N174-F177 VanDerWaalsContact O-CE1 3.28Å; N174-F177 WeakPolarHBondContact O-CE1 3.49Å; D175-F177 PolarHBondContact O-N 2.95Å; F177-L179 PolarHBondContact O-N 2.79Å; F177-N198 WeakPolarHBondContact CB-O 3.36Å; F177-N198 HydrophobicContact CD1-CB 4.25Å; F177-N198 VanDerWaalsContact CD1-ND2 3.27Å; F177-N198 WeakPolarHBondContact CD1-ND2 3.44Å; F177-R201 HydrophobicContact CB-CB 4.05Å
178N92.8Very high94.1Very high70 Ų7042.2 Ų42.237%0.37423%0.231SC..G310 helixtrans-68.9-13.4175.1-71.9-20.1000113.3Q154 D175 L176 S180Q154-N178 WeakPolarHBondContact O-CB 3.41Å; D175-N178 VanDerWaalsContact O-CB 3.3Å; D175-N178 WeakPolarHBondContact O-CB 3.35Å; D175-N178 PolarHBondContact O-N 2.95Å; L176-N178 PolarHBondContact O-N 2.88Å; L176-N178 VanDerWaalsContact O-N 3.14Å; N178-S180 PolarHBondContact O-N 2.76Å
179L94.5Very high94.1Very high1 Ų141.7 Ų41.71%0.00523%0.226CC..  trans-71.271.6173.1-59.4176.8000110.7I153 L156 L159 L176 F177 N181 L182 C202I153-L179 VanDerWaalsContact O-CD2 3.29Å; I153-L179 WeakPolarHBondContact O-CD2 3.06Å; L156-L179 HydrophobicContact CB-CD2 4.26Å; L156-L179 WeakPolarHBondContact O-CD2 3.34Å; L159-L179 HydrophobicContact CB-CD2 4.23Å; L159-L179 HydrophobicContact CD2-CD1 4.29Å; L159-L179 HydrophobicContact CD2-CD2 4.34Å; L176-L179 HydrophobicContact CD2-CD1 4.06Å; L176-L179 WeakPolarHBondContact O-CB 3.07Å; L176-L179 WeakPolarHBondContact O-CG 3.29Å; L176-L179 PolarHBondContact O-N 3.38Å; F177-L179 PolarHBondContact O-N 2.79Å; L179-N181 PolarHBondContact O-N 2.97Å; L179-N181 VanDerWaalsContact O-N 3.14Å; L179-L182 HydrophobicContact CB-CB 3.84Å; L179-L182 HydrophobicContact CB-CD2 4.2Å; L179-L182 HydrophobicContact CB-CG 4.5Å; L179-L182 HydrophobicContact CD1-CD1 4.37Å; L179-L182 HydrophobicContact CD1-CD2 3.92Å; L179-L182 VanDerWaalsContact O-CB 3.28Å; L179-L182 WeakPolarHBondContact O-CB 3.37Å; L179-L182 PolarHBondContact O-N 2.9Å; L179-C202 PolarHBondContact O-SG 3.46Å
180S90.3Very high94.1Very high62 Ų6242 Ų4243%0.43423%0.228SC..THydrogen-bonded Turntrans-63.7-20.3-171.966.20000114.5N178N178-S180 PolarHBondContact O-N 2.76Å
181N93.5Very high94.2Very high40 Ų4042.2 Ų42.221%0.21423%0.229CC..THydrogen-bonded Turntrans-99.3-0.7176.4-73-56.9000114.7T157 L159 A160 L179 K183 K204T157-N181 VanDerWaalsContact O-CB 3.27Å; T157-N181 WeakPolarHBondContact O-CB 3.14Å; T157-N181 PolarHBondContact O-N 3.11Å; T157-N181 PolarHBondContact O-ND2 2.73Å; L159-N181 CarbonylContact O-C 3.33Å; A160-N181 WeakPolarHBondContact CA-O 3.37Å; L179-N181 PolarHBondContact O-N 2.97Å; L179-N181 VanDerWaalsContact O-N 3.14Å; N181-K183 WeakPolarHBondContact O-CG 3.33Å; N181-K183 PolarHBondContact O-N 3.28Å; N181-K204 PolarHBondContact OD1-NZ 2.77Å
182L95.9Very high94.3Very high1 Ų137.4 Ų37.41%0.00520%0.204CC..  trans-62.3124.3-176.6-163.765.6000110.7L159 L162 L179 A185 K204 L205L159-L182 HydrophobicContact CG-CD1 4.5Å; L159-L182 VanDerWaalsContact O-CA 3.25Å; L159-L182 WeakPolarHBondContact O-CA 3.44Å; L159-L182 PolarHBondContact O-N 2.91Å; L162-L182 HydrophobicContact CB-CD1 3.97Å; L179-L182 HydrophobicContact CB-CB 3.84Å; L179-L182 HydrophobicContact CB-CD2 4.2Å; L179-L182 HydrophobicContact CB-CG 4.5Å; L179-L182 HydrophobicContact CD1-CD1 4.37Å; L179-L182 HydrophobicContact CD1-CD2 3.92Å; L179-L182 VanDerWaalsContact O-CB 3.28Å; L179-L182 WeakPolarHBondContact O-CB 3.37Å; L179-L182 PolarHBondContact O-N 2.9Å; L182-A185 HydrophobicContact CD2-CB 4Å; L182-A185 HydrophobicContact CG-CB 4.45Å; L182-K204 CarbonylContact O-C 3.33Å; L182-K204 WeakPolarHBondContact O-CB 3.21Å; L182-L205 HydrophobicContact CD2-CD1 4.27Å; L182-L205 HydrophobicContact CG-CD1 4.21Å; L182-L205 VanDerWaalsContact O-CA 3.29Å; L182-L205 WeakPolarHBondContact O-CA 3.34Å; L182-L205 PolarHBondContact O-N 3.36Å
183K93.8Very high94.2Very high113 Ų11338.7 Ų38.749%0.49121%0.212SC..  trans-110.2-43.9179.2-58.7-179.5-175.7170.60111.5A160 N181 K204 L205 N206 V207A160-K183 HydrophobicContact CB-CG 4.48Å; A160-K183 PolarHBondContact O-N 2.98Å; N181-K183 WeakPolarHBondContact O-CG 3.33Å; N181-K183 PolarHBondContact O-N 3.28Å; K183-K204 WeakPolarHBondContact CA-O 3.27Å; K183-K204 HydrophobicContact CG-CB 4.34Å; K183-L205 WeakPolarHBondContact O-CA 3.37Å; K183-N206 PolarHBondContact O-N 3.41Å; K183-N206 PolarHBondContact O-OD1 3.29Å; K183-V207 PolarHBondContact O-N 3.47Å; K183-V207 VanDerWaalsContact O-N 3.13Å
184S94Very high94.2Very high34 Ų3440.9 Ų40.924%0.23822%0.222CC..EExtended strand (participates in β ladder)trans-125.9131.1-179.6-174.30000110.3A160 V161 L162 V207A160-S184 PolarHBondContact O-N 3.12Å; V161-S184 WeakPolarHBondContact CA-O 3.32Å; L162-S184 PolarHBondContact N-O 2.85Å; S184-V207 CarbonylContact C-O 3.09Å; S184-V207 WeakPolarHBondContact CA-O 3.27Å
185A95.8Very high94.5Very high0 Ų036.4 Ų36.40%020%0.197CC..EExtended strand (participates in β ladder)trans-135.7128.5174.200000110.7L162 L182 F187 L205 V207 L208 K209L162-A185 CarbonylContact O-C 3.51Å; L162-A185 VanDerWaalsContact O-CA 3.29Å; L162-A185 WeakPolarHBondContact O-CA 3.27Å; L182-A185 HydrophobicContact CD2-CB 4Å; L182-A185 HydrophobicContact CG-CB 4.45Å; A185-F187 HydrophobicContact CB-CD2 4.31Å; A185-F187 HydrophobicContact CB-CE2 3.66Å; A185-F187 HydrophobicContact CB-CZ 4.31Å; A185-L205 HydrophobicContact CB-CD1 3.94Å; A185-V207 PolarHBondContact N-O 3.49Å; A185-L208 HydrophobicContact CB-CD1 4.07Å; A185-L208 WeakPolarHBondContact O-CA 3.24Å; A185-K209 PolarHBondContact O-N 2.88Å
186N96.2Very high94.5Very high24 Ų2433.3 Ų33.313%0.12818%0.181CC..EExtended strand (participates in β ladder)trans-123.4110.9178.7-171.89.9000110.8L162 D163 V164 S165 S188 K209L162-N186 PolarHBondContact O-N 3.19Å; D163-N186 HydrophobicContact CB-CB 4.29Å; D163-N186 PolarHBondContact OD1-ND2 2.91Å; D163-N186 PolarHBondContact OD2-ND2 2.78Å; V164-N186 PolarHBondContact N-O 2.94Å; S165-N186 WeakPolarHBondContact CB-ND2 3.49Å; S165-N186 PolarHBondContact N-O 3.05Å; S165-N186 PolarHBondContact OG-ND2 2.73Å; N186-S188 WeakPolarHBondContact OD1-CB 3.46Å; N186-S188 PolarHBondContact OD1-N 2.9Å; N186-S188 VanDerWaalsContact OD1-N 3.15Å; N186-S188 PolarHBondContact OD1-OG 3.13Å; N186-K209 HydrophobicContact CB-CB 4.35Å; N186-K209 VanDerWaalsContact OD1-CB 3.3Å; N186-K209 WeakPolarHBondContact OD1-CB 3.28Å
187F97Very high94.4Very high1 Ų134.3 Ų34.30%0.00419%0.19CC..  trans-117.618.6176.6-56.5-79.3000111.3L149 L162 V164 L172 L176 A185 N190 L192 F195 L208 K209 I210 N213L149-F187 HydrophobicContact CD1-CE1 4.3Å; L162-F187 HydrophobicContact CD2-CE1 3.92Å; L162-F187 HydrophobicContact CD2-CZ 3.71Å; V164-F187 HydrophobicContact CG2-CD1 3.34Å; V164-F187 HydrophobicContact CG2-CE1 3.69Å; V164-F187 HydrophobicContact CG2-CG 4.35Å; L172-F187 HydrophobicContact CD1-CD1 4.04Å; L172-F187 HydrophobicContact CD1-CD2 4.4Å; L172-F187 HydrophobicContact CD1-CE1 4.1Å; L172-F187 HydrophobicContact CD1-CE2 4.41Å; L172-F187 HydrophobicContact CD1-CG 4.21Å; L172-F187 HydrophobicContact CD1-CZ 4.27Å; L172-F187 HydrophobicContact CD2-CD1 3.85Å; L172-F187 HydrophobicContact CD2-CE1 3.75Å; L176-F187 HydrophobicContact CD1-CZ 4.14Å; A185-F187 HydrophobicContact CB-CD2 4.31Å; A185-F187 HydrophobicContact CB-CE2 3.66Å; A185-F187 HydrophobicContact CB-CZ 4.31Å; F187-N190 PolarHBondContact O-ND2 3.12Å; F187-L192 HydrophobicContact CB-CD1 4.08Å; F187-F195 HydrophobicContact CB-CE2 4.39Å; F187-F195 AromaticContact CD2-CE2 3.89Å; F187-F195 HydrophobicContact CD2-CE2 3.89Å; F187-F195 AromaticContact CD2-CZ 3.8Å; F187-F195 HydrophobicContact CD2-CZ 3.8Å; F187-F195 HydrophobicContact CE2-CE2 4.48Å; F187-F195 HydrophobicContact CE2-CZ 4.02Å; F187-F195 HydrophobicContact CG-CE2 4.27Å; F187-L208 HydrophobicContact CD2-CD1 4.09Å; F187-L208 HydrophobicContact CE2-CD1 4.26Å; F187-K209 PolarHBondContact N-O 2.93Å; F187-I210 HydrophobicContact CB-CG2 4.35Å; F187-I210 HydrophobicContact CD2-CG2 4.31Å; F187-N213 PolarHBondContact O-ND2 3.4Å
188S96Very high94.5Very high3 Ų333 Ų332%0.02119%0.185CC..  trans-66.1159-177.165.50000112.7S165 Y166 N186 N190 K209 H211S165-S188 CarbonylContact C-O 3.58Å; S165-S188 WeakPolarHBondContact CA-O 3.42Å; S165-S188 WeakPolarHBondContact CB-O 3.47Å; S165-S188 WeakPolarHBondContact CB-OG 3.48Å; Y166-S188 PolarHBondContact N-O 2.94Å; N186-S188 WeakPolarHBondContact OD1-CB 3.46Å; N186-S188 PolarHBondContact OD1-N 2.9Å; N186-S188 VanDerWaalsContact OD1-N 3.15Å; N186-S188 PolarHBondContact OD1-OG 3.13Å; S188-N190 PolarHBondContact O-N 3.39Å; S188-N190 PolarHBondContact O-ND2 3.01Å; S188-K209 PolarHBondContact N-O 3.27Å; S188-H211 CarbonylContact C-O 3.33Å; S188-H211 WeakPolarHBondContact CA-O 3.07Å; S188-H211 WeakPolarHBondContact CB-CE1 3.45Å; S188-H211 VanDerWaalsContact CB-NE2 3.28Å; S188-H211 WeakPolarHBondContact CB-NE2 3.3Å; S188-H211 VanDerWaalsContact CB-O 3.3Å; S188-H211 WeakPolarHBondContact CB-O 3.38Å; S188-H211 PolarHBondContact OG-NE2 3.44Å
189E97.4Very high94.5Very high72 Ų7229.6 Ų29.634%0.33617%0.167SC..SBendtrans53.158.5177.5-53.7-58.8149.400111.5Y166 N167 H211 G212Y166-E189 CarbonylContact C-O 3.22Å; Y166-E189 WeakPolarHBondContact CA-O 3.45Å; Y166-E189 HydrophobicContact CD1-CB 3.7Å; Y166-E189 HydrophobicContact CD1-CG 3.87Å; Y166-E189 HydrophobicContact CD2-CB 4.25Å; Y166-E189 HydrophobicContact CD2-CG 4.36Å; Y166-E189 HydrophobicContact CE1-CB 3.96Å; Y166-E189 HydrophobicContact CE1-CG 3.56Å; Y166-E189 HydrophobicContact CE2-CB 4.45Å; Y166-E189 HydrophobicContact CE2-CG 4.05Å; Y166-E189 HydrophobicContact CG-CB 3.86Å; Y166-E189 HydrophobicContact CG-CG 4.27Å; Y166-E189 PolarHBondContact N-O 2.76Å; Y166-E189 VanDerWaalsContact N-O 3.14Å; N167-E189 PolarHBondContact N-O 3.33Å; E189-H211 PolarHBondContact N-O 3.25Å; E189-H211 IonicContact OE1-CE1 3.99Å; E189-H211 IonicContact OE1-ND1 3.66Å; E189-H211 PolarHBondContact OE1-ND1 3.21Å; E189-H211 VanDerWaalsContact OE1-ND1 3.14Å; E189-G212 WeakPolarHBondContact CA-O 3.47Å; E189-G212 WeakPolarHBondContact OE1-CA 3.48Å
190N98Very high94.3Very high8 Ų831.6 Ų31.64%0.04318%0.176CC..SBendtrans-132-173.2178.1-89.1-80.7000109.7V164 N167 I169 F187 S188 L192 G212 N213 P214V164-N190 PolarHBondContact O-ND2 3Å; N167-N190 WeakPolarHBondContact CA-OD1 3.46Å; N167-N190 WeakPolarHBondContact CB-OD1 2.93Å; N167-N190 WeakPolarHBondContact O-CA 3.49Å; N167-N190 PolarHBondContact O-OD1 2.96Å; I169-N190 HydrophobicContact CB-CB 4.45Å; I169-N190 WeakPolarHBondContact CB-OD1 3.31Å; I169-N190 WeakPolarHBondContact CG1-OD1 3.15Å; I169-N190 PolarHBondContact N-OD1 3.23Å; F187-N190 PolarHBondContact O-ND2 3.12Å; S188-N190 PolarHBondContact O-N 3.39Å; S188-N190 PolarHBondContact O-ND2 3.01Å; N190-L192 HydrophobicContact CB-CG 4.29Å; N190-G212 PolarHBondContact N-O 3.48Å; N190-N213 VanDerWaalsContact CA-OD1 3.29Å; N190-N213 WeakPolarHBondContact CA-OD1 3.19Å; N190-N213 WeakPolarHBondContact CB-OD1 3.47Å; N190-N213 PolarHBondContact N-OD1 2.98Å; N190-N213 PolarHBondContact O-OD1 3.23Å; N190-N213 VanDerWaalsContact O-OD1 3.11Å; N190-P214 WeakPolarHBondContact O-CD 3.33Å
191S97.4Very high94.4Very high50 Ų5034.5 Ų34.535%0.3518%0.177SC..  trans-107.527.3-178.5-65.90000113.1I169 T193 N213I169-S191 CarbonylContact O-C 3.18Å; I169-S191 VanDerWaalsContact O-C 3.22Å; I169-S191 WeakPolarHBondContact O-CA 3.32Å; I169-S191 PolarHBondContact O-N 2.79Å; S191-T193 PolarHBondContact O-N 3.32Å; S191-N213 PolarHBondContact N-OD1 3.38Å
192L96.4Very high94.3Very high0 Ų032.8 Ų32.80%017%0.169CC..  trans-70.6117-178-57.6173.2000111.1I169 L172 F187 N190 F195 N213 P214 F215I169-L192 HydrophobicContact CG2-CD2 4.03Å; I169-L192 WeakPolarHBondContact O-CD2 3.32Å; I169-L192 PolarHBondContact O-N 3.31Å; L172-L192 HydrophobicContact CD1-CD1 3.9Å; L172-L192 HydrophobicContact CD1-CD2 4.38Å; L172-L192 HydrophobicContact CD2-CD2 4.3Å; L172-L192 HydrophobicContact CG-CD1 4.21Å; L172-L192 HydrophobicContact CG-CD2 3.8Å; F187-L192 HydrophobicContact CB-CD1 4.08Å; N190-L192 HydrophobicContact CB-CG 4.29Å; L192-F195 HydrophobicContact CD1-CD2 3.94Å; L192-F195 HydrophobicContact CD1-CE2 4.03Å; L192-N213 HydrophobicContact CB-CB 4.12Å; L192-N213 WeakPolarHBondContact CB-OD1 3.3Å; L192-N213 VanDerWaalsContact CG-OD1 3.29Å; L192-N213 WeakPolarHBondContact CG-OD1 3.33Å; L192-N213 PolarHBondContact N-OD1 2.91Å; L192-P214 CarbonylContact O-C 3.5Å; L192-P214 WeakPolarHBondContact O-CD 3.37Å; L192-F215 HydrophobicContact CB-CE1 3.81Å; L192-F215 HydrophobicContact CB-CZ 4.43Å; L192-F215 WeakPolarHBondContact O-CD1 3.42Å; L192-F215 PolarHBondContact O-N 3.23Å
193T94.4Very high93.9Very high46 Ų4644.3 Ų44.328%0.28221%0.212SC..SBendtrans-86-23173.864.60000113.2S191 P214 F215 K216S191-T193 PolarHBondContact O-N 3.32Å; T193-P214 HydrophobicContact CG2-CG 4.41Å; T193-F215 WeakPolarHBondContact O-CA 3.29Å; T193-K216 PolarHBondContact O-N 2.83Å; T193-K216 PolarHBondContact OG1-NZ 2.93Å
194D92.4Very high93.7Very high87 Ų8744.1 Ų44.147%0.46521%0.211SC..SBendtrans-141.8159.7-178.4-64.2-68.8000108.3K216D194-K216 IonicContact OD2-NZ 3.78Å; D194-K216 PolarHBondContact OD2-NZ 2.96Å
195F92.9Very high93.6Very high21 Ų2143.1 Ų43.19%0.09220%0.203CC..  trans-132.2136.1-178.9-159.4-84.8000110.6L172 F187 L192 A197 I199 L208 I210 F215 L220 L237L172-F195 HydrophobicContact CD1-CD2 3.99Å; L172-F195 HydrophobicContact CD1-CE2 3.43Å; L172-F195 VanDerWaalsContact CD1-CE2 3.43Å; L172-F195 HydrophobicContact CD1-CZ 3.78Å; F187-F195 HydrophobicContact CB-CE2 4.39Å; F187-F195 AromaticContact CD2-CE2 3.89Å; F187-F195 HydrophobicContact CD2-CE2 3.89Å; F187-F195 AromaticContact CD2-CZ 3.8Å; F187-F195 HydrophobicContact CD2-CZ 3.8Å; F187-F195 HydrophobicContact CE2-CE2 4.48Å; F187-F195 HydrophobicContact CE2-CZ 4.02Å; F187-F195 HydrophobicContact CG-CE2 4.27Å; L192-F195 HydrophobicContact CD1-CD2 3.94Å; L192-F195 HydrophobicContact CD1-CE2 4.03Å; F195-A197 PolarHBondContact O-N 3.08Å; F195-I199 HydrophobicContact CD1-CG2 4.38Å; F195-I199 HydrophobicContact CE1-CB 4.01Å; F195-I199 HydrophobicContact CE1-CG1 4.26Å; F195-I199 HydrophobicContact CE1-CG2 3.77Å; F195-L208 HydrophobicContact CE1-CD2 4.42Å; F195-L208 HydrophobicContact CZ-CD1 4.11Å; F195-I210 HydrophobicContact CD2-CB 4.44Å; F195-I210 HydrophobicContact CD2-CD1 4.26Å; F195-I210 HydrophobicContact CD2-CG2 4Å; F195-I210 HydrophobicContact CE2-CB 4.24Å; F195-I210 HydrophobicContact CE2-CG2 3.4Å; F195-I210 HydrophobicContact CG-CD1 4.36Å; F195-I210 HydrophobicContact CZ-CG2 3.76Å; F195-F215 HydrophobicContact CB-CE1 3.92Å; F195-F215 HydrophobicContact CB-CZ 4.38Å; F195-F215 HydrophobicContact CD2-CE1 4.16Å; F195-F215 HydrophobicContact CD2-CZ 4.06Å; F195-L220 HydrophobicContact CB-CD2 3.87Å; F195-L237 HydrophobicContact CD1-CD1 4.17Å; F195-L237 HydrophobicContact CD1-CD2 4.28Å; F195-L237 HydrophobicContact CE1-CD1 4.43Å
196P92.3Very high93.3Very high13 Ų1347.9 Ų47.98%0.08423%0.229CC..  trans-63110.3-177.824.9-34.4000111.3L172 N198 I199L172-P196 HydrophobicContact CB-CG 4.03Å; L172-P196 HydrophobicContact CD1-CG 4.23Å; P196-N198 WeakPolarHBondContact CB-OD1 3.33Å; P196-N198 PolarHBondContact O-N 3.42Å; P196-N198 VanDerWaalsContact O-N 3.16Å; P196-I199 PolarHBondContact O-N 2.96Å; P196-I199 VanDerWaalsContact O-N 3.16Å
197A91.3Very high93Very high23 Ų2349.5 Ų49.519%0.1924%0.239CC..G310 helixtrans-60.8-27-176.700000112.8F195 I199 H200 L240 D241F195-A197 PolarHBondContact O-N 3.08Å; A197-I199 VanDerWaalsContact C-N 3.27Å; A197-I199 PolarHBondContact O-N 3.48Å; A197-H200 PolarHBondContact O-ND1 3.44Å; A197-L240 HydrophobicContact CB-CB 3.96Å; A197-D241 HydrophobicContact CB-CB 3.99Å
198N92.5Very high92.9Very high23 Ų2350 Ų5012%0.12324%0.242CC..G310 helixtrans-74.4-4.2179.662.71.6000114.7N174 F177 P196 H200 R201N174-N198 PolarHBondContact O-ND2 3.26Å; N174-N198 PolarHBondContact O-OD1 3.08Å; F177-N198 WeakPolarHBondContact CB-O 3.36Å; F177-N198 HydrophobicContact CD1-CB 4.25Å; F177-N198 VanDerWaalsContact CD1-ND2 3.27Å; F177-N198 WeakPolarHBondContact CD1-ND2 3.44Å; P196-N198 WeakPolarHBondContact CB-OD1 3.33Å; P196-N198 PolarHBondContact O-N 3.42Å; P196-N198 VanDerWaalsContact O-N 3.16Å; N198-H200 PolarHBondContact O-N 3.05Å; N198-H200 VanDerWaalsContact O-N 3.09Å; N198-R201 VanDerWaalsContact O-CB 3.26Å; N198-R201 WeakPolarHBondContact O-CB 3.29Å; N198-R201 WeakPolarHBondContact O-CG 3.3Å; N198-R201 PolarHBondContact O-N 2.83Å
199I92.8Very high92.7Very high0 Ų053.6 Ų53.60%026%0.257CS..G310 helixtrans-55.9-29.1174.7-157.173.4000112.3L176 F195 P196 A197 R201 C202 L205 L208 L237L176-I199 HydrophobicContact CB-CD1 3.79Å; L176-I199 HydrophobicContact CD1-CD1 4.36Å; F195-I199 HydrophobicContact CD1-CG2 4.38Å; F195-I199 HydrophobicContact CE1-CB 4.01Å; F195-I199 HydrophobicContact CE1-CG1 4.26Å; F195-I199 HydrophobicContact CE1-CG2 3.77Å; P196-I199 PolarHBondContact O-N 2.96Å; P196-I199 VanDerWaalsContact O-N 3.16Å; A197-I199 VanDerWaalsContact C-N 3.27Å; A197-I199 PolarHBondContact O-N 3.48Å; I199-R201 PolarHBondContact O-N 3.42Å; I199-C202 VanDerWaalsContact O-CB 3.32Å; I199-C202 WeakPolarHBondContact O-CB 3.45Å; I199-C202 PolarHBondContact O-N 2.96Å; I199-L205 HydrophobicContact CG1-CD2 3.89Å; I199-L208 HydrophobicContact CG2-CD2 4.15Å; I199-L237 HydrophobicContact CG2-CD1 3.63Å
200H89.3Confident92.6Very high43 Ų4350.2 Ų50.220%0.19924%0.241CC..G310 helixtrans-62.2-14.217978.9-77.4000112.7A197 N198 C202 R238 D241A197-H200 PolarHBondContact O-ND1 3.44Å; N198-H200 PolarHBondContact O-N 3.05Å; N198-H200 VanDerWaalsContact O-N 3.09Å; H200-C202 VanDerWaalsContact C-N 3.27Å; H200-R238 HydrophobicContact CB-CB 4.27Å; H200-D241 IonicContact CE1-OD2 2.78Å; H200-D241 PolarHBondContact CE1-OD2 3.36Å
201R92.6Very high92.4Very high122 Ų12251.6 Ų51.646%0.4625%0.248SC..G310 helixtrans-75.4-13.7174.5-59.5179.6-177.5-1661.6112.6F177 N198 I199 R203 D241F177-R201 HydrophobicContact CB-CB 4.05Å; N198-R201 VanDerWaalsContact O-CB 3.26Å; N198-R201 WeakPolarHBondContact O-CB 3.29Å; N198-R201 WeakPolarHBondContact O-CG 3.3Å; N198-R201 PolarHBondContact O-N 2.83Å; I199-R201 PolarHBondContact O-N 3.42Å; R201-R203 VanDerWaalsContact C-N 3.3Å; R201-R203 WeakPolarHBondContact O-CG 3.35Å; R201-R203 PolarHBondContact O-N 2.88Å; R201-D241 IonicContact CZ-OD2 2.79Å; R201-D241 IonicContact NE-OD2 3.81Å; R201-D241 PolarHBondContact NE-OD2 2.88Å; R201-D241 IonicContact NH2-OD1 3.43Å; R201-D241 IonicContact NH2-OD2 3.3Å; R201-D241 PolarHBondContact NH2-OD2 3.31Å
202C91.9Very high92.2Very high4 Ų451 Ų513%0.02725%0.249CC..  trans-66.786.9165-71.70000109.6L179 I199 H200 K204 L205L179-C202 PolarHBondContact O-SG 3.46Å; I199-C202 VanDerWaalsContact O-CB 3.32Å; I199-C202 WeakPolarHBondContact O-CB 3.45Å; I199-C202 PolarHBondContact O-N 2.96Å; H200-C202 VanDerWaalsContact C-N 3.27Å; C202-K204 PolarHBondContact O-N 3.26Å; C202-L205 HydrophobicContact CB-CB 3.8Å; C202-L205 HydrophobicContact CB-CD2 4.35Å; C202-L205 VanDerWaalsContact O-CB 3.25Å; C202-L205 WeakPolarHBondContact O-CB 3.35Å; C202-L205 PolarHBondContact O-N 3.11Å
203R87.5Confident92.2Very high243 Ų24351.3 Ų51.392%0.91725%0.251SS*.THydrogen-bonded Turntrans-60.9-17.2-170.3-62.3-174.9-179.1171.30.4115.2R201R201-R203 VanDerWaalsContact C-N 3.3Å; R201-R203 WeakPolarHBondContact O-CG 3.35Å; R201-R203 PolarHBondContact O-N 2.88Å
204K90.8Very high92.2Very high109 Ų10952.3 Ų52.347%0.47426%0.258SS..THydrogen-bonded Turntrans-96.7-7178.6-57.3-166.9-167176.80113.3N181 L182 K183 C202 N206N181-K204 PolarHBondContact OD1-NZ 2.77Å; L182-K204 CarbonylContact O-C 3.33Å; L182-K204 WeakPolarHBondContact O-CB 3.21Å; K183-K204 WeakPolarHBondContact CA-O 3.27Å; K183-K204 HydrophobicContact CG-CB 4.34Å; C202-K204 PolarHBondContact O-N 3.26Å; K204-N206 PolarHBondContact O-N 3.28Å
205L91.9Very high92.3Very high13 Ų1348.6 Ų48.67%0.06824%0.238CC..  trans-70.9112.9-177.2-177.367.7000109.4L182 K183 A185 I199 C202 V207 L208 L234L182-L205 HydrophobicContact CD2-CD1 4.27Å; L182-L205 HydrophobicContact CG-CD1 4.21Å; L182-L205 VanDerWaalsContact O-CA 3.29Å; L182-L205 WeakPolarHBondContact O-CA 3.34Å; L182-L205 PolarHBondContact O-N 3.36Å; K183-L205 WeakPolarHBondContact O-CA 3.37Å; A185-L205 HydrophobicContact CB-CD1 3.94Å; I199-L205 HydrophobicContact CG1-CD2 3.89Å; C202-L205 HydrophobicContact CB-CB 3.8Å; C202-L205 HydrophobicContact CB-CD2 4.35Å; C202-L205 VanDerWaalsContact O-CB 3.25Å; C202-L205 WeakPolarHBondContact O-CB 3.35Å; C202-L205 PolarHBondContact O-N 3.11Å; L205-V207 WeakPolarHBondContact CD1-O 3.39Å; L205-L208 HydrophobicContact CD2-CB 4.37Å; L205-L208 HydrophobicContact CD2-CD2 4.42Å; L205-L234 HydrophobicContact CD2-CD2 3.99Å
206N89.1Confident92.2Very high101 Ų10154.3 Ų54.354%0.5426%0.262SS..  trans-118.6-18.8179.364.4-12.3000112.8K183 K204 P230K183-N206 PolarHBondContact O-N 3.41Å; K183-N206 PolarHBondContact O-OD1 3.29Å; K204-N206 PolarHBondContact O-N 3.28Å; N206-P230 WeakPolarHBondContact O-CG 3.47Å
207V89.9Confident92.2Very high57 Ų5755.9 Ų55.935%0.34527%0.27SS..EExtended strand (participates in β ladder)trans-122.1115.7175.2-178.70000108.8K183 S184 A185 L205K183-V207 PolarHBondContact O-N 3.47Å; K183-V207 VanDerWaalsContact O-N 3.13Å; S184-V207 CarbonylContact C-O 3.09Å; S184-V207 WeakPolarHBondContact CA-O 3.27Å; A185-V207 PolarHBondContact N-O 3.49Å; L205-V207 WeakPolarHBondContact CD1-O 3.39Å
208L93.7Very high92.2Very high11 Ų1160.2 Ų60.26%0.05829%0.29CS..EExtended strand (participates in β ladder)trans-131.5114.8175.6176.761.9000109A185 F187 F195 I199 L205 I210 L233 L234 L237A185-L208 HydrophobicContact CB-CD1 4.07Å; A185-L208 WeakPolarHBondContact O-CA 3.24Å; F187-L208 HydrophobicContact CD2-CD1 4.09Å; F187-L208 HydrophobicContact CE2-CD1 4.26Å; F195-L208 HydrophobicContact CE1-CD2 4.42Å; F195-L208 HydrophobicContact CZ-CD1 4.11Å; I199-L208 HydrophobicContact CG2-CD2 4.15Å; L205-L208 HydrophobicContact CD2-CB 4.37Å; L205-L208 HydrophobicContact CD2-CD2 4.42Å; L208-I210 HydrophobicContact CD1-CG2 3.7Å; L208-I210 HydrophobicContact CD2-CG2 4.45Å; L208-I210 HydrophobicContact CG-CG2 3.9Å; L208-L233 HydrophobicContact CD2-CD2 3.91Å; L208-L233 HydrophobicContact CD2-CG 4.37Å; L208-L233 HydrophobicContact CG-CD2 4.06Å; L208-L234 HydrophobicContact CD2-CD2 3.94Å; L208-L237 HydrophobicContact CD2-CD1 3.91Å
209K93.5Very high92.1Very high80 Ų8065.6 Ų65.635%0.34831%0.309SS..EExtended strand (participates in β ladder)trans-111.6122.3176.8-65.3-168.7176.4-150.30109.9A185 N186 F187 S188 E227A185-K209 PolarHBondContact O-N 2.88Å; N186-K209 HydrophobicContact CB-CB 4.35Å; N186-K209 VanDerWaalsContact OD1-CB 3.3Å; N186-K209 WeakPolarHBondContact OD1-CB 3.28Å; F187-K209 PolarHBondContact N-O 2.93Å; S188-K209 PolarHBondContact N-O 3.27Å; K209-E227 IonicContact NZ-OE1 3.23Å; K209-E227 PolarHBondContact NZ-OE1 2.87Å
210I94.7Very high92Very high0 Ų066 Ų660%031%0.31CS..  trans-138.212.7-177.869.8173.8000112.9F187 F195 L208 N213 F215 L220 S224 L233F187-I210 HydrophobicContact CB-CG2 4.35Å; F187-I210 HydrophobicContact CD2-CG2 4.31Å; F195-I210 HydrophobicContact CD2-CB 4.44Å; F195-I210 HydrophobicContact CD2-CD1 4.26Å; F195-I210 HydrophobicContact CD2-CG2 4Å; F195-I210 HydrophobicContact CE2-CB 4.24Å; F195-I210 HydrophobicContact CE2-CG2 3.4Å; F195-I210 HydrophobicContact CG-CD1 4.36Å; F195-I210 HydrophobicContact CZ-CG2 3.76Å; L208-I210 HydrophobicContact CD1-CG2 3.7Å; L208-I210 HydrophobicContact CD2-CG2 4.45Å; L208-I210 HydrophobicContact CG-CG2 3.9Å; I210-N213 PolarHBondContact O-ND2 3.04Å; I210-F215 HydrophobicContact CB-CE2 4.18Å; I210-F215 HydrophobicContact CB-CZ 4Å; I210-F215 HydrophobicContact CD1-CE2 3.76Å; I210-F215 HydrophobicContact CD1-CZ 3.76Å; I210-F215 HydrophobicContact CG1-CE2 3.84Å; I210-F215 HydrophobicContact CG1-CZ 4.03Å; I210-F215 VanDerWaalsContact O-CE2 3.24Å; I210-F215 WeakPolarHBondContact O-CE2 3.3Å; I210-L220 HydrophobicContact CD1-CD1 3.93Å; I210-L220 HydrophobicContact CD1-CG 4.3Å; I210-S224 VanDerWaalsContact CG1-CB 3.49Å; I210-L233 HydrophobicContact CD1-CD1 3.84Å; I210-L233 HydrophobicContact CD1-CD2 3.82Å; I210-L233 HydrophobicContact CD1-CG 4.4Å; I210-L233 HydrophobicContact CG1-CD2 3.92Å
211H93.3Very high92.1Very high38 Ų3868.9 Ų68.918%0.17632%0.322CS..  trans-60.4168.1177.366.383.9000112.2S188 E189 N213 S224S188-H211 CarbonylContact C-O 3.33Å; S188-H211 WeakPolarHBondContact CA-O 3.07Å; S188-H211 WeakPolarHBondContact CB-CE1 3.45Å; S188-H211 VanDerWaalsContact CB-NE2 3.28Å; S188-H211 WeakPolarHBondContact CB-NE2 3.3Å; S188-H211 VanDerWaalsContact CB-O 3.3Å; S188-H211 WeakPolarHBondContact CB-O 3.38Å; S188-H211 PolarHBondContact OG-NE2 3.44Å; E189-H211 PolarHBondContact N-O 3.25Å; E189-H211 IonicContact OE1-CE1 3.99Å; E189-H211 IonicContact OE1-ND1 3.66Å; E189-H211 PolarHBondContact OE1-ND1 3.21Å; E189-H211 VanDerWaalsContact OE1-ND1 3.14Å; H211-N213 VanDerWaalsContact C-N 3.25Å; H211-N213 PolarHBondContact O-N 3.35Å; H211-N213 PolarHBondContact O-ND2 3.09Å; H211-S224 WeakPolarHBondContact CB-O 3.5Å
212G93.5Very high92Very high36 Ų3672.8 Ų72.837%0.37134%0.337SS..SBendtrans67.425177.700000114.2E189 N190E189-G212 WeakPolarHBondContact CA-O 3.47Å; E189-G212 WeakPolarHBondContact OE1-CA 3.48Å; N190-G212 PolarHBondContact N-O 3.48Å
213N96.2Very high91.9Very high8 Ų874.1 Ų74.14%0.04334%0.344CS..SBendtrans-115.1143.6175.2-79.3-82000110.7F187 N190 S191 L192 I210 H211 F215F187-N213 PolarHBondContact O-ND2 3.4Å; N190-N213 VanDerWaalsContact CA-OD1 3.29Å; N190-N213 WeakPolarHBondContact CA-OD1 3.19Å; N190-N213 WeakPolarHBondContact CB-OD1 3.47Å; N190-N213 PolarHBondContact N-OD1 2.98Å; N190-N213 PolarHBondContact O-OD1 3.23Å; N190-N213 VanDerWaalsContact O-OD1 3.11Å; S191-N213 PolarHBondContact N-OD1 3.38Å; L192-N213 HydrophobicContact CB-CB 4.12Å; L192-N213 WeakPolarHBondContact CB-OD1 3.3Å; L192-N213 VanDerWaalsContact CG-OD1 3.29Å; L192-N213 WeakPolarHBondContact CG-OD1 3.33Å; L192-N213 PolarHBondContact N-OD1 2.91Å; I210-N213 PolarHBondContact O-ND2 3.04Å; H211-N213 VanDerWaalsContact C-N 3.25Å; H211-N213 PolarHBondContact O-N 3.35Å; H211-N213 PolarHBondContact O-ND2 3.09Å; N213-F215 HydrophobicContact CB-CD1 4.36Å; N213-F215 HydrophobicContact CB-CD2 4.05Å; N213-F215 HydrophobicContact CB-CE1 3.97Å; N213-F215 HydrophobicContact CB-CE2 3.65Å; N213-F215 HydrophobicContact CB-CG 4.38Å; N213-F215 HydrophobicContact CB-CZ 3.58Å; N213-F215 PolarHBondContact O-N 2.83Å
214P94.8Very high92Very high67 Ų6763 Ų6344%0.43530%0.304SS..  trans-77.552.5-179.534.5-38000112.8N190 L192 T193 K216N190-P214 WeakPolarHBondContact O-CD 3.33Å; L192-P214 CarbonylContact O-C 3.5Å; L192-P214 WeakPolarHBondContact O-CD 3.37Å; T193-P214 HydrophobicContact CG2-CG 4.41Å; P214-K216 PolarHBondContact O-N 3.03Å
215F94.4Very high91.7Very high9 Ų962.6 Ų62.64%0.03931%0.31CS..  trans-59.4133-179.6-65.2-53.2000112.4L192 T193 F195 I210 N213 D217 L220 K221L192-F215 HydrophobicContact CB-CE1 3.81Å; L192-F215 HydrophobicContact CB-CZ 4.43Å; L192-F215 WeakPolarHBondContact O-CD1 3.42Å; L192-F215 PolarHBondContact O-N 3.23Å; T193-F215 WeakPolarHBondContact O-CA 3.29Å; F195-F215 HydrophobicContact CB-CE1 3.92Å; F195-F215 HydrophobicContact CB-CZ 4.38Å; F195-F215 HydrophobicContact CD2-CE1 4.16Å; F195-F215 HydrophobicContact CD2-CZ 4.06Å; I210-F215 HydrophobicContact CB-CE2 4.18Å; I210-F215 HydrophobicContact CB-CZ 4Å; I210-F215 HydrophobicContact CD1-CE2 3.76Å; I210-F215 HydrophobicContact CD1-CZ 3.76Å; I210-F215 HydrophobicContact CG1-CE2 3.84Å; I210-F215 HydrophobicContact CG1-CZ 4.03Å; I210-F215 VanDerWaalsContact O-CE2 3.24Å; I210-F215 WeakPolarHBondContact O-CE2 3.3Å; N213-F215 HydrophobicContact CB-CD1 4.36Å; N213-F215 HydrophobicContact CB-CD2 4.05Å; N213-F215 HydrophobicContact CB-CE1 3.97Å; N213-F215 HydrophobicContact CB-CE2 3.65Å; N213-F215 HydrophobicContact CB-CG 4.38Å; N213-F215 HydrophobicContact CB-CZ 3.58Å; N213-F215 PolarHBondContact O-N 2.83Å; F215-D217 VanDerWaalsContact C-N 3.33Å; F215-L220 HydrophobicContact CB-CD2 4.34Å; F215-L220 HydrophobicContact CD1-CD2 3.69Å; F215-L220 HydrophobicContact CD2-CD2 4.1Å; F215-L220 HydrophobicContact CD2-CG 4.08Å; F215-L220 HydrophobicContact CE1-CD2 3.97Å; F215-L220 HydrophobicContact CE2-CD2 4.32Å; F215-L220 HydrophobicContact CE2-CG 4.32Å; F215-L220 HydrophobicContact CG-CD2 3.79Å; F215-L220 HydrophobicContact CG-CG 4.2Å; F215-L220 HydrophobicContact CZ-CD2 4.28Å; F215-K221 HydrophobicContact CB-CB 4.31Å
216K91.3Very high91Very high140 Ų14065.6 Ų65.661%0.60933%0.326SS*.SBendtrans-69-33.8173-67.1171.1-171.8147.20112T193 D194 P214 N218T193-K216 PolarHBondContact O-N 2.83Å; T193-K216 PolarHBondContact OG1-NZ 2.93Å; D194-K216 IonicContact OD2-NZ 3.78Å; D194-K216 PolarHBondContact OD2-NZ 2.96Å; P214-K216 PolarHBondContact O-N 3.03Å; K216-N218 PolarHBondContact O-N 2.97Å
217D91.5Very high89.8Confident47 Ų4766.5 Ų66.525%0.25133%0.327SS..  trans-77.1105.6177-179.2-7.1000110.8F215 R219 L220 K221 Y236F215-D217 VanDerWaalsContact C-N 3.33Å; D217-R219 PolarHBondContact O-N 3.06Å; D217-R219 WeakPolarHBondContact OD1-CA 3.08Å; D217-R219 WeakPolarHBondContact OD1-CB 3.39Å; D217-R219 PolarHBondContact OD1-N 3.41Å; D217-L220 HydrophobicContact CB-CB 3.79Å; D217-L220 WeakPolarHBondContact O-CB 3.22Å; D217-L220 PolarHBondContact O-N 3.25Å; D217-L220 PolarHBondContact OD1-N 3.21Å; D217-K221 WeakPolarHBondContact O-CB 3.49Å; D217-K221 PolarHBondContact O-N 2.94Å; D217-Y236 PolarHBondContact OD1-OH 2.97Å; D217-Y236 VanDerWaalsContact OD2-CE1 3.26Å; D217-Y236 WeakPolarHBondContact OD2-CE1 3.34Å; D217-Y236 VanDerWaalsContact OD2-CZ 3.28Å; D217-Y236 PolarHBondContact OD2-OH 3.3Å
218N90.5Very high88.4Confident113 Ų11372 Ų7260%0.60435%0.348SS*.Hα-helixtrans-57.9-29.6177.7-75.7-42.3000113.5K216 R222K216-N218 PolarHBondContact O-N 2.97Å; N218-R222 WeakPolarHBondContact O-CG 3.37Å; N218-R222 PolarHBondContact O-N 3.25Å; N218-R222 VanDerWaalsContact O-N 3.14Å
219R90.6Very high87Confident137 Ų13773 Ų7352%0.51736%0.357SS..Hα-helixtrans-75.7-43.7177.5-178.9169.8177.3108.29.7110.8D217 K221 R222 L223 Y236D217-R219 PolarHBondContact O-N 3.06Å; D217-R219 WeakPolarHBondContact OD1-CA 3.08Å; D217-R219 WeakPolarHBondContact OD1-CB 3.39Å; D217-R219 PolarHBondContact OD1-N 3.41Å; R219-K221 VanDerWaalsContact C-N 3.28Å; R219-K221 PolarHBondContact O-N 2.87Å; R219-R222 PolarHBondContact O-N 3.41Å; R219-L223 HydrophobicContact CG-CD1 4.14Å; R219-L223 WeakPolarHBondContact O-CG 3.29Å; R219-L223 PolarHBondContact O-N 2.8Å; R219-Y236 HydrophobicContact CB-CE1 4.45Å; R219-Y236 HydrophobicContact CB-CE2 4.48Å; R219-Y236 HydrophobicContact CG-CD2 4.32Å; R219-Y236 HydrophobicContact CG-CE1 4.26Å; R219-Y236 HydrophobicContact CG-CE2 3.88Å
220L91.8Very high86.1Confident7 Ų771 Ų714%0.03735%0.352CS..Hα-helixtrans-57.7-44.4172.5-173.465000110.8F195 I210 F215 D217 R222 L223 S224 L233 Y236 L237F195-L220 HydrophobicContact CB-CD2 3.87Å; I210-L220 HydrophobicContact CD1-CD1 3.93Å; I210-L220 HydrophobicContact CD1-CG 4.3Å; F215-L220 HydrophobicContact CB-CD2 4.34Å; F215-L220 HydrophobicContact CD1-CD2 3.69Å; F215-L220 HydrophobicContact CD2-CD2 4.1Å; F215-L220 HydrophobicContact CD2-CG 4.08Å; F215-L220 HydrophobicContact CE1-CD2 3.97Å; F215-L220 HydrophobicContact CE2-CD2 4.32Å; F215-L220 HydrophobicContact CE2-CG 4.32Å; F215-L220 HydrophobicContact CG-CD2 3.79Å; F215-L220 HydrophobicContact CG-CG 4.2Å; F215-L220 HydrophobicContact CZ-CD2 4.28Å; D217-L220 HydrophobicContact CB-CB 3.79Å; D217-L220 WeakPolarHBondContact O-CB 3.22Å; D217-L220 PolarHBondContact O-N 3.25Å; D217-L220 PolarHBondContact OD1-N 3.21Å; L220-R222 VanDerWaalsContact C-N 3.33Å; L220-R222 PolarHBondContact O-N 2.74Å; L220-L223 PolarHBondContact O-N 2.87Å; L220-S224 WeakPolarHBondContact O-CB 3.39Å; L220-S224 PolarHBondContact O-N 3.5Å; L220-L233 HydrophobicContact CD1-CD1 3.57Å; L220-Y236 HydrophobicContact CB-CE1 4.06Å; L220-Y236 HydrophobicContact CD1-CD1 4.13Å; L220-Y236 HydrophobicContact CD1-CE1 4.3Å; L220-L237 HydrophobicContact CD1-CD2 3.84Å; L220-L237 HydrophobicContact CD1-CG 4.48Å
221K91Very high85.4Confident104 Ų10475.9 Ų75.945%0.45238%0.382SS..Hα-helixtrans-61.3-35.1177.4-169.2176.3-178.8177.40113.7F215 D217 R219 S224F215-K221 HydrophobicContact CB-CB 4.31Å; D217-K221 WeakPolarHBondContact O-CB 3.49Å; D217-K221 PolarHBondContact O-N 2.94Å; R219-K221 VanDerWaalsContact C-N 3.28Å; R219-K221 PolarHBondContact O-N 2.87Å; K221-S224 PolarHBondContact O-OG 3.15Å
222R90.4Very high85.2Confident204 Ų20475.8 Ų75.877%0.7739%0.387SS*.Hα-helixtrans-73.6-41.6175.2-73.6175.9-169.7179.13111.8N218 R219 L220 S224N218-R222 WeakPolarHBondContact O-CG 3.37Å; N218-R222 PolarHBondContact O-N 3.25Å; N218-R222 VanDerWaalsContact O-N 3.14Å; R219-R222 PolarHBondContact O-N 3.41Å; L220-R222 VanDerWaalsContact C-N 3.33Å; L220-R222 PolarHBondContact O-N 2.74Å; R222-S224 VanDerWaalsContact C-N 3.29Å; R222-S224 PolarHBondContact O-N 3.41Å
223L90.4Very high85.1Confident33 Ų3374.3 Ų74.317%0.17337%0.371CS..Hα-helixtrans-70.4-25179.7-69.9171.7000112.8R219 L220 V225 A232 L233 Y236R219-L223 HydrophobicContact CG-CD1 4.14Å; R219-L223 WeakPolarHBondContact O-CG 3.29Å; R219-L223 PolarHBondContact O-N 2.8Å; L220-L223 PolarHBondContact O-N 2.87Å; L223-V225 VanDerWaalsContact C-N 3.31Å; L223-V225 PolarHBondContact O-N 2.98Å; L223-A232 HydrophobicContact CD2-CB 4.18Å; L223-L233 HydrophobicContact CB-CD1 4.1Å; L223-Y236 HydrophobicContact CD1-CD1 3.79Å; L223-Y236 HydrophobicContact CD1-CD2 4.28Å; L223-Y236 HydrophobicContact CD1-CG 3.58Å
224S88.7Confident84.8Confident10 Ų1075.3 Ų75.37%0.0738%0.376CS..THydrogen-bonded Turntrans-70.5-25.2-179.664.50000114.2I210 H211 L220 K221 R222I210-S224 VanDerWaalsContact CG1-CB 3.49Å; H211-S224 WeakPolarHBondContact CB-O 3.5Å; L220-S224 WeakPolarHBondContact O-CB 3.39Å; L220-S224 PolarHBondContact O-N 3.5Å; K221-S224 PolarHBondContact O-OG 3.15Å; R222-S224 VanDerWaalsContact C-N 3.29Å; R222-S224 PolarHBondContact O-N 3.41Å
225V85.5Confident84.6Confident100 Ų10074.3 Ų74.361%0.60637%0.374SS*.THydrogen-bonded Turntrans-85.8-19.5-177.6-177.80000112L223 E227L223-V225 VanDerWaalsContact C-N 3.31Å; L223-V225 PolarHBondContact O-N 2.98Å; V225-E227 PolarHBondContact O-N 3.46Å
226D76.7Confident84.5Confident75 Ų7575.5 Ų75.540%0.40138%0.378SS..  trans-78.993.3179.9-172.20.2000111H228D226-H228 PolarHBondContact O-N 3.21Å; D226-H228 PolarHBondContact OD1-N 2.93Å; D226-H228 IonicContact OD1-ND1 3.9Å
227E64.4Low84.6Confident120 Ų12068.9 Ų68.956%0.56135%0.349SS*.THydrogen-bonded Turntrans-64.8-16.6178-67.1-157.1121.600113.5K209 V225K209-E227 IonicContact NZ-OE1 3.23Å; K209-E227 PolarHBondContact NZ-OE1 2.87Å; V225-E227 PolarHBondContact O-N 3.46Å
228H60.3Low84.6Confident172 Ų17273.3 Ų73.380%0.79636%0.363SS*.THydrogen-bonded Turntrans-90.9-7.9-171.4-60.381.9000113.3D226D226-H228 PolarHBondContact O-N 3.21Å; D226-H228 PolarHBondContact OD1-N 2.93Å; D226-H228 IonicContact OD1-ND1 3.9Å
229S64.1Low84.7Confident33 Ų3375.6 Ų75.623%0.23136%0.363CS..  trans-141.967.4-175.6-156.70000114.5T231 A232S229-T231 PolarHBondContact O-N 2.77Å; S229-T231 VanDerWaalsContact O-N 3.09Å; S229-T231 PolarHBondContact OG-OG1 2.83Å; S229-A232 PolarHBondContact O-N 2.91Å
230P73.6Confident84.7Confident39 Ų3971.9 Ų71.925%0.25335%0.353SS..Hα-helixtrans-58.2-25.2172.824.2-33.3000112.4N206 L233 L234N206-P230 WeakPolarHBondContact O-CG 3.47Å; P230-L233 PolarHBondContact O-N 2.75Å; P230-L234 WeakPolarHBondContact O-CB 3.41Å; P230-L234 WeakPolarHBondContact O-CG 3.25Å; P230-L234 PolarHBondContact O-N 2.93Å
231T81.5Confident84.6Confident102 Ų10273 Ų7363%0.62636%0.359SS*.Hα-helixtrans-63.7-37.8175.248.70000112.8S229 A235S229-T231 PolarHBondContact O-N 2.77Å; S229-T231 VanDerWaalsContact O-N 3.09Å; S229-T231 PolarHBondContact OG-OG1 2.83Å; T231-A235 WeakPolarHBondContact O-CB 3.46Å; T231-A235 PolarHBondContact O-N 2.9Å
232A88Confident84.5Confident35 Ų3572.4 Ų72.429%0.28936%0.358SS..Hα-helixtrans-67.2-41.8177.300000111.6L223 S229 A235 Y236L223-A232 HydrophobicContact CD2-CB 4.18Å; S229-A232 PolarHBondContact O-N 2.91Å; A232-A235 PolarHBondContact O-N 3.3Å; A232-Y236 WeakPolarHBondContact O-CB 3.35Å; A232-Y236 PolarHBondContact O-N 2.78Å
233L91Very high84Confident5 Ų566.9 Ų66.93%0.02635%0.347CS..Hα-helixtrans-62.4-50.3175.3176.761.1000111.4L208 I210 L220 L223 P230 A235 Y236 L237L208-L233 HydrophobicContact CD2-CD2 3.91Å; L208-L233 HydrophobicContact CD2-CG 4.37Å; L208-L233 HydrophobicContact CG-CD2 4.06Å; I210-L233 HydrophobicContact CD1-CD1 3.84Å; I210-L233 HydrophobicContact CD1-CD2 3.82Å; I210-L233 HydrophobicContact CD1-CG 4.4Å; I210-L233 HydrophobicContact CG1-CD2 3.92Å; L220-L233 HydrophobicContact CD1-CD1 3.57Å; L223-L233 HydrophobicContact CB-CD1 4.1Å; P230-L233 PolarHBondContact O-N 2.75Å; L233-A235 VanDerWaalsContact C-N 3.34Å; L233-A235 PolarHBondContact O-N 3.31Å; L233-Y236 WeakPolarHBondContact O-CB 3.48Å; L233-Y236 PolarHBondContact O-N 3.25Å; L233-Y236 VanDerWaalsContact O-N 3.13Å; L233-L237 HydrophobicContact CD1-CD1 4.31Å; L233-L237 HydrophobicContact CD1-CG 4.42Å; L233-L237 HydrophobicContact CG-CD1 4.25Å; L233-L237 WeakPolarHBondContact O-CG 3.22Å; L233-L237 PolarHBondContact O-N 3.28Å
234L90.7Very high82.7Confident29 Ų2968.3 Ų68.315%0.15237%0.369CS..Hα-helixtrans-63-39.2178.3-71171.1000112.3L205 L208 P230 Y236 L237 R238L205-L234 HydrophobicContact CD2-CD2 3.99Å; L208-L234 HydrophobicContact CD2-CD2 3.94Å; P230-L234 WeakPolarHBondContact O-CB 3.41Å; P230-L234 WeakPolarHBondContact O-CG 3.25Å; P230-L234 PolarHBondContact O-N 2.93Å; L234-Y236 VanDerWaalsContact C-N 3.3Å; L234-Y236 PolarHBondContact O-N 2.97Å; L234-L237 PolarHBondContact O-N 2.75Å; L234-R238 WeakPolarHBondContact O-CB 3.42Å; L234-R238 PolarHBondContact O-N 2.86Å
235A90.3Very high80.7Confident47 Ų4772.5 Ų72.539%0.38840%0.399SS..Hα-helixtrans-64-36174.700000112T231 A232 L233 R239T231-A235 WeakPolarHBondContact O-CB 3.46Å; T231-A235 PolarHBondContact O-N 2.9Å; A232-A235 PolarHBondContact O-N 3.3Å; L233-A235 VanDerWaalsContact C-N 3.34Å; L233-A235 PolarHBondContact O-N 3.31Å; A235-R239 WeakPolarHBondContact O-CG 3.43Å; A235-R239 PolarHBondContact O-N 3.13Å; A235-R239 VanDerWaalsContact O-N 3.14Å
236Y92.4Very high78.4Confident33 Ų3375.2 Ų75.213%0.12940%0.402CS..Hα-helixtrans-67.6-47.7175.2-178.2-114.2000112.2D217 R219 L220 L223 A232 L233 L234 R238 R239 L240D217-Y236 PolarHBondContact OD1-OH 2.97Å; D217-Y236 VanDerWaalsContact OD2-CE1 3.26Å; D217-Y236 WeakPolarHBondContact OD2-CE1 3.34Å; D217-Y236 VanDerWaalsContact OD2-CZ 3.28Å; D217-Y236 PolarHBondContact OD2-OH 3.3Å; R219-Y236 HydrophobicContact CB-CE1 4.45Å; R219-Y236 HydrophobicContact CB-CE2 4.48Å; R219-Y236 HydrophobicContact CG-CD2 4.32Å; R219-Y236 HydrophobicContact CG-CE1 4.26Å; R219-Y236 HydrophobicContact CG-CE2 3.88Å; L220-Y236 HydrophobicContact CB-CE1 4.06Å; L220-Y236 HydrophobicContact CD1-CD1 4.13Å; L220-Y236 HydrophobicContact CD1-CE1 4.3Å; L223-Y236 HydrophobicContact CD1-CD1 3.79Å; L223-Y236 HydrophobicContact CD1-CD2 4.28Å; L223-Y236 HydrophobicContact CD1-CG 3.58Å; A232-Y236 WeakPolarHBondContact O-CB 3.35Å; A232-Y236 PolarHBondContact O-N 2.78Å; L233-Y236 WeakPolarHBondContact O-CB 3.48Å; L233-Y236 PolarHBondContact O-N 3.25Å; L233-Y236 VanDerWaalsContact O-N 3.13Å; L234-Y236 VanDerWaalsContact C-N 3.3Å; L234-Y236 PolarHBondContact O-N 2.97Å; Y236-R238 VanDerWaalsContact C-N 3.29Å; Y236-R238 PolarHBondContact O-N 3.1Å; Y236-R239 WeakPolarHBondContact O-CB 3.47Å; Y236-R239 PolarHBondContact O-N 2.8Å; Y236-R239 VanDerWaalsContact O-N 3.1Å; Y236-L240 HydrophobicContact CD1-CD1 3.98Å; Y236-L240 HydrophobicContact CE1-CD1 3.45Å; Y236-L240 VanDerWaalsContact CE1-CD1 3.45Å; Y236-L240 HydrophobicContact CE1-CG 4.07Å; Y236-L240 HydrophobicContact CE2-CD2 4.45Å; Y236-L240 HydrophobicContact CE2-CG 4.32Å; Y236-L240 PolarHBondContact O-N 3.04Å
237L92.3Very high76.3Confident1 Ų182 Ų821%0.00543%0.428CS..Hα-helixtrans-60-39.5176.4-67.6171.7000111.7F195 I199 L208 L220 L233 L234 R239 L240 D241F195-L237 HydrophobicContact CD1-CD1 4.17Å; F195-L237 HydrophobicContact CD1-CD2 4.28Å; F195-L237 HydrophobicContact CE1-CD1 4.43Å; I199-L237 HydrophobicContact CG2-CD1 3.63Å; L208-L237 HydrophobicContact CD2-CD1 3.91Å; L220-L237 HydrophobicContact CD1-CD2 3.84Å; L220-L237 HydrophobicContact CD1-CG 4.48Å; L233-L237 HydrophobicContact CD1-CD1 4.31Å; L233-L237 HydrophobicContact CD1-CG 4.42Å; L233-L237 HydrophobicContact CG-CD1 4.25Å; L233-L237 WeakPolarHBondContact O-CG 3.22Å; L233-L237 PolarHBondContact O-N 3.28Å; L234-L237 PolarHBondContact O-N 2.75Å; L237-R239 PolarHBondContact O-N 3.27Å; L237-L240 HydrophobicContact CD2-CD1 4.48Å; L237-L240 WeakPolarHBondContact O-CB 3.47Å; L237-L240 PolarHBondContact O-N 3.03Å; L237-D241 PolarHBondContact O-N 3.16Å
238R92.7Very high74.7Confident141 Ų14179.2 Ų79.253%0.53243%0.432SS..Hα-helixtrans-58.4-46.5172.5178.9174.1174170.51.6112.5H200 L234 Y236 L240 D241 E242H200-R238 HydrophobicContact CB-CB 4.27Å; L234-R238 WeakPolarHBondContact O-CB 3.42Å; L234-R238 PolarHBondContact O-N 2.86Å; Y236-R238 VanDerWaalsContact C-N 3.29Å; Y236-R238 PolarHBondContact O-N 3.1Å; R238-L240 VanDerWaalsContact C-N 3.31Å; R238-L240 PolarHBondContact O-N 3.08Å; R238-D241 PolarHBondContact O-N 3.11Å; R238-E242 HydrophobicContact CG-CG 4.44Å; R238-E242 WeakPolarHBondContact CG-OE1 3.39Å; R238-E242 IonicContact CZ-OE1 3.91Å; R238-E242 IonicContact NE-OE1 2.81Å; R238-E242 PolarHBondContact NE-OE1 2.8Å; R238-E242 IonicContact NH2-OE1 3.6Å; R238-E242 PolarHBondContact NH2-OE1 3.33Å; R238-E242 WeakPolarHBondContact O-CB 3.48Å; R238-E242 WeakPolarHBondContact O-CG 3.49Å; R238-E242 PolarHBondContact O-N 3.04Å
239R92.8Very high73.2Confident161 Ų16180.4 Ų80.461%0.60844%0.435SS*.Hα-helixtrans-63.3-37.3176.8-72.3176.6-179-178.81.8112A235 Y236 L237 T243A235-R239 WeakPolarHBondContact O-CG 3.43Å; A235-R239 PolarHBondContact O-N 3.13Å; A235-R239 VanDerWaalsContact O-N 3.14Å; Y236-R239 WeakPolarHBondContact O-CB 3.47Å; Y236-R239 PolarHBondContact O-N 2.8Å; Y236-R239 VanDerWaalsContact O-N 3.1Å; L237-R239 PolarHBondContact O-N 3.27Å; R239-T243 WeakPolarHBondContact O-CB 3.41Å; R239-T243 WeakPolarHBondContact O-CG2 3.32Å; R239-T243 PolarHBondContact O-N 3.27Å; R239-T243 PolarHBondContact O-OG1 2.97Å
240L90.7Very high71.4Confident59 Ų5989 Ų8931%0.30947%0.468SS..Hα-helixtrans-63.7-42.9174.7-72.4177.8000111.8A197 Y236 L237 R238 T243 G244A197-L240 HydrophobicContact CB-CB 3.96Å; Y236-L240 HydrophobicContact CD1-CD1 3.98Å; Y236-L240 HydrophobicContact CE1-CD1 3.45Å; Y236-L240 VanDerWaalsContact CE1-CD1 3.45Å; Y236-L240 HydrophobicContact CE1-CG 4.07Å; Y236-L240 HydrophobicContact CE2-CD2 4.45Å; Y236-L240 HydrophobicContact CE2-CG 4.32Å; Y236-L240 PolarHBondContact O-N 3.04Å; L237-L240 HydrophobicContact CD2-CD1 4.48Å; L237-L240 WeakPolarHBondContact O-CB 3.47Å; L237-L240 PolarHBondContact O-N 3.03Å; R238-L240 VanDerWaalsContact C-N 3.31Å; R238-L240 PolarHBondContact O-N 3.08Å; L240-T243 PolarHBondContact O-N 3.35Å; L240-T243 PolarHBondContact O-OG1 3.42Å; L240-G244 PolarHBondContact O-N 3.14Å
241D90.1Very high69.5Low31 Ų3193.3 Ų93.317%0.16649%0.493CS..Hα-helixtrans-65.2-43.8176.6-166.538.6000111.8A197 H200 R201 L237 R238 T243 S245A197-D241 HydrophobicContact CB-CB 3.99Å; H200-D241 IonicContact CE1-OD2 2.78Å; H200-D241 PolarHBondContact CE1-OD2 3.36Å; R201-D241 IonicContact CZ-OD2 2.79Å; R201-D241 IonicContact NE-OD2 3.81Å; R201-D241 PolarHBondContact NE-OD2 2.88Å; R201-D241 IonicContact NH2-OD1 3.43Å; R201-D241 IonicContact NH2-OD2 3.3Å; R201-D241 PolarHBondContact NH2-OD2 3.31Å; L237-D241 PolarHBondContact O-N 3.16Å; R238-D241 PolarHBondContact O-N 3.11Å; D241-T243 VanDerWaalsContact C-N 3.35Å; D241-T243 PolarHBondContact O-N 2.97Å; D241-S245 PolarHBondContact O-N 3.39Å
242E88.4Confident67Low90 Ų9095 Ų9542%0.42150%0.499SS..Hα-helixtrans-65.8-33.4179.3-72.4174.8-175.800113.1R238R238-E242 HydrophobicContact CG-CG 4.44Å; R238-E242 WeakPolarHBondContact CG-OE1 3.39Å; R238-E242 IonicContact CZ-OE1 3.91Å; R238-E242 IonicContact NE-OE1 2.81Å; R238-E242 PolarHBondContact NE-OE1 2.8Å; R238-E242 IonicContact NH2-OE1 3.6Å; R238-E242 PolarHBondContact NH2-OE1 3.33Å; R238-E242 WeakPolarHBondContact O-CB 3.48Å; R238-E242 WeakPolarHBondContact O-CG 3.49Å; R238-E242 PolarHBondContact O-N 3.04Å
243T79.5Confident64.5Low89 Ų89101 Ų10155%0.54653%0.526SS..Hα-helixtrans-87.2-30.2179.252.90000112.9R239 L240 D241 S245 K246R239-T243 WeakPolarHBondContact O-CB 3.41Å; R239-T243 WeakPolarHBondContact O-CG2 3.32Å; R239-T243 PolarHBondContact O-N 3.27Å; R239-T243 PolarHBondContact O-OG1 2.97Å; L240-T243 PolarHBondContact O-N 3.35Å; L240-T243 PolarHBondContact O-OG1 3.42Å; D241-T243 VanDerWaalsContact C-N 3.35Å; D241-T243 PolarHBondContact O-N 2.97Å; T243-S245 PolarHBondContact O-N 3.31Å; T243-K246 CarbonylContact O-C 3.53Å; T243-K246 PolarHBondContact O-N 3.24Å
244G62.7Low61.8Low62 Ų62108.8 Ų108.864%0.63956%0.56SS**Hα-helixtrans-62-30.7175.100000113.5L240 K246L240-G244 PolarHBondContact O-N 3.14Å; G244-K246 VanDerWaalsContact C-N 3.26Å; G244-K246 PolarHBondContact O-N 3.23Å
245S47.7Very low59Low98 Ų98115.3 Ų115.369%0.68559%0.594SS**THydrogen-bonded Turntrans-77.1-7.7173-64.30000113.8D241 T243D241-S245 PolarHBondContact O-N 3.39Å; T243-S245 PolarHBondContact O-N 3.31Å
246K37.4Very low56.2Low157 Ų157118 Ų11868%0.68361%0.611SS**  trans-116.655.2-175-66.5-177.9-178.9174.70112.4T243 G244 G248T243-K246 CarbonylContact O-C 3.53Å; T243-K246 PolarHBondContact O-N 3.24Å; G244-K246 VanDerWaalsContact C-N 3.26Å; G244-K246 PolarHBondContact O-N 3.23Å; K246-G248 PolarHBondContact O-N 2.82Å
247K32.2Very low53.5Low218 Ų218121.7 Ų121.795%0.94864%0.639SS**  trans-68.276.9150.4-84.1-173.1177.4176.90108.3
248G29.8Very low50.5Low62 Ų62126.8 Ų126.864%0.63967%0.674SS**SBendtrans158.149.5179.600000116.9K246K246-G248 PolarHBondContact O-N 2.82Å
249K29.3Very low47.7Very low197 Ų197129.4 Ų129.486%0.85769%0.689SS**  trans167.4112141.4-99169.5175.6173.90110.5V251K249-V251 PolarHBondContact O-N 3.32Å
250K26.9Very low44.8Very low212 Ų212126.2 Ų126.292%0.92269%0.692SS**  trans-61.7123.9159.6-77.9175.2171.8175.60108.7
251V32.3Very low41.9Very low131 Ų131128.4 Ų128.479%0.79471%0.712SS**  trans-135.2111.3147.2-1790000106.7K249K249-V251 PolarHBondContact O-N 3.32Å
252N29.5Very low39.1Very low138 Ų138133.5 Ų133.574%0.73874%0.744SS**  trans-59.2132.9162.2-93.7-24.8000108
253D35Very low36.4Very low160 Ų160136.8 Ų136.886%0.85676%0.76SS**  trans-142124.1136.2-112.7-24.8000111.3
254K34.6Very low34.2Very low169 Ų169140.4 Ų140.474%0.73577%0.77SS**  trans-80137.6174.4-66.9169.6174.4175.50106.9
255N32.9Very low32.6Very low165 Ų165146.4 Ų146.488%0.88278%0.782SS**  trans179.498.3137.4-87.9-14.7000110
256S31.1Very low31.6Very low105 Ų105151 Ų15173%0.73479%0.792SS**  trans-79177.6140.1530000107.8
257P35.7Very low31.3Very low110 Ų110151.8 Ų151.871%0.71480%0.8SS**  cis-150.7168.12043.9-22.4000118.4
258S29.2Very low31.1Very low107 Ų107148.9 Ų148.975%0.74880%0.795SS**  trans16.6140.3142.864.50000123.2
259K33.6Very low31.2Very low197 Ų197152.1 Ų152.186%0.85780%0.798SS**  trans-159.1111.4138.1-107.4176.3-175.6-176.70108.9
260S32.2Very low31Very low94 Ų94148.3 Ų148.366%0.65780%0.796SS**  90.310394.164.70000111.7
261S29.5Very low31.3Very low104 Ų104145.2 Ų145.273%0.72779%0.788SS**  83110.167.968.10000114.4
262T31.9Very low31.2Very low138 Ų138143.2 Ų143.285%0.84779%0.786SS**  trans-177.1103.8145.418.80000106.3
263E31.6Very low31Very low159 Ų159148 Ų14874%0.74379%0.793SS**  78.6114.566-82.2-172.1-171.900115.5
264H32.2Very low30.8Very low165 Ų165146 Ų14676%0.76479%0.789SS**  trans64.1139.1150.7-56.7-67.2000117.9
265E30.3Very low30.5Very low189 Ų189143.1 Ų143.188%0.88379%0.787SS**  cis-152.2151.340.8-73.6173.6144.200112.4
266E27Very low30.2Very low193 Ų193144.3 Ų144.390%0.90279%0.788SS**  trans-76.2137.8165.9-67.7174.8148.100110.8
267M31.6Very low30.1Very low174 Ų174144.7 Ų144.786%0.85779%0.785SS**  trans-146.7112.4154.7-124.1176.2117.400110.1
268N27.4Very low29.6Very low158 Ų158145.7 Ų145.785%0.84579%0.789SS**  trans-54131.7164.5-83.5-37000110.3
269N31.8Very low29.6Very low129 Ų129143.9 Ų143.969%0.6979%0.788SS**  trans-153.4116.8151.1-103.1-21000111.3I271N269-I271 PolarHBondContact O-N 3.17Å
270S25.7Very low29.8Very low118 Ų118140.9 Ų140.983%0.82578%0.78SS**  trans-61.5119.3162.749.80000110.7
271I31.5Very low31.1Very low146 Ų146139.6 Ų139.675%0.74977%0.771SS**  trans-142.892.5171.4-56.8179.4000106.4N269N269-I271 PolarHBondContact O-N 3.17Å
272A30.2Very low33.1Very low90 Ų90138.1 Ų138.174%0.74476%0.758SS**  83.6120.498.700000113.1
273R25.9Very low35.7Very low238 Ų238133.8 Ų133.890%0.89873%0.732SS**PPolyproline II helixtrans-51.2138.9171.8-83.3176.2169.6-175-4.7110.2
274P31.5Very low38.3Very low117 Ų117128.2 Ų128.276%0.7671%0.706SS**PPolyproline II helixtrans-66.4144.6164.730.3-31.1000108.6
275P28.8Very low41Very low109 Ų109120.4 Ų120.471%0.70867%0.669SS**PPolyproline II helixtrans-69.7149.4-172.831.6-35000110.7V277P275-V277 PolarHBondContact O-N 3.36Å
276E24.8Very low43.9Very low191 Ų191111.7 Ų111.789%0.89363%0.629SS**  trans-54.6106166.1-73.5173.1163.200109.1T278E276-T278 PolarHBondContact O-N 3.21Å
277V28.9Very low46.9Very low112 Ų112102.9 Ų102.968%0.67959%0.588SS**  trans-80.7101.9169.5-179.80000107.2P275 G279 I280P275-V277 PolarHBondContact O-N 3.36Å; V277-G279 PolarHBondContact O-N 2.99Å; V277-I280 HydrophobicContact CG1-CD1 4.32Å
278T25.9Very low49.7Very low131 Ų13197.3 Ų97.380%0.80456%0.56SS**  trans-55122.6168.448.30000111.4E276E276-T278 PolarHBondContact O-N 3.21Å
279G28.6Very low52.4Low70 Ų7096.4 Ų96.472%0.72255%0.545SS*.  trans96.56.3144.700000120.5V277V277-G279 PolarHBondContact O-N 2.99Å
280I38.2Very low54.8Low133 Ų13391.9 Ų91.968%0.68252%0.523SS*.  trans-91.2108.7174.5-55175000109.2V277 T282V277-I280 HydrophobicContact CG1-CD1 4.32Å; I280-T282 PolarHBondContact O-N 3.05Å; I280-T282 VanDerWaalsContact O-N 3.09Å
281S60.6Low57.3Low67 Ų6790.7 Ų90.747%0.46951%0.507SS..  trans-60.3111.5175-168.90000109.9N537S281-N537 VanDerWaalsContact C-ND2 3.31Å; S281-N537 WeakPolarHBondContact CB-ND2 3.29Å; S281-N537 PolarHBondContact O-ND2 3.46Å; S281-N537 PolarHBondContact OG-ND2 3.21Å
282T71.7Confident59.2Low74 Ų7493 Ų9345%0.45452%0.515SS..  trans-62.6131.9-177.548.30000110.7I280 H284 N537I280-T282 PolarHBondContact O-N 3.05Å; I280-T282 VanDerWaalsContact O-N 3.09Å; T282-H284 PolarHBondContact O-CD2 3.3Å; T282-H284 PolarHBondContact O-NE2 3.19Å; T282-H284 VanDerWaalsContact O-NE2 3.1Å; T282-N537 PolarHBondContact O-ND2 3.38Å
283P84.7Confident61.4Low46 Ų4696.1 Ų96.130%0.29952%0.519SS..  trans-65.4145.9-179.628.8-35000111L490 C494 N537 N571P283-L490 HydrophobicContact CB-CD1 3.78Å; P283-L490 HydrophobicContact CB-CG 4.01Å; P283-L490 HydrophobicContact CG-CD1 4.46Å; P283-L490 HydrophobicContact CG-CG 4.16Å; P283-C494 HydrophobicContact CB-CB 4.23Å; P283-N537 WeakPolarHBondContact CA-O 3.39Å; P283-N571 PolarHBondContact O-ND2 3.33Å
284H86.6Confident63.8Low43 Ų4387.4 Ų87.420%0.19949%0.488CS..EExtended strand (participates in β ladder)trans-120.3148.6-176.5-66.2-82.6000112.3T282 L490 N537 A538 L539 N571 I573T282-H284 PolarHBondContact O-CD2 3.3Å; T282-H284 PolarHBondContact O-NE2 3.19Å; T282-H284 VanDerWaalsContact O-NE2 3.1Å; H284-L490 WeakPolarHBondContact O-CD1 3.44Å; H284-N537 PolarHBondContact N-O 3.41Å; H284-N537 VanDerWaalsContact N-O 3.09Å; H284-A538 HydrophobicContact CB-CB 4.12Å; H284-A538 CarbonylContact O-C 3.53Å; H284-A538 WeakPolarHBondContact O-CA 3.21Å; H284-L539 PolarHBondContact O-N 2.94Å; H284-N571 WeakPolarHBondContact ND1-CB 3.15Å; H284-N571 PolarHBondContact ND1-O 3.09Å; H284-I573 HydrophobicContact CB-CD1 4.39Å
285I90.1Very high66.3Low0 Ų087.4 Ų87.40%048%0.478CS..EExtended strand (participates in β ladder)trans-98.2128161.3-66.1-173.7000108.8I287 I486 L490 L539 V541 L565 F570 T572 I573I285-I287 HydrophobicContact CG2-CG1 4.01Å; I285-I486 HydrophobicContact CD1-CG2 3.27Å; I285-I486 HydrophobicContact CG1-CG2 4.48Å; I285-L490 HydrophobicContact CD1-CD2 4.23Å; I285-L490 HydrophobicContact CG1-CD1 3.83Å; I285-L490 HydrophobicContact CG1-CD2 3.98Å; I285-L490 HydrophobicContact CG1-CG 4.42Å; I285-L539 WeakPolarHBondContact CA-O 3.36Å; I285-V541 HydrophobicContact CG2-CB 4.17Å; I285-V541 HydrophobicContact CG2-CG2 3.72Å; I285-L565 HydrophobicContact CD1-CD1 4.5Å; I285-L565 HydrophobicContact CG2-CD1 4.39Å; I285-F570 HydrophobicContact CD1-CB 3.94Å; I285-F570 HydrophobicContact CD1-CD1 3.45Å; I285-F570 VanDerWaalsContact CD1-CD1 3.45Å; I285-F570 HydrophobicContact CD1-CE1 4.23Å; I285-F570 HydrophobicContact CD1-CG 3.99Å; I285-F570 HydrophobicContact CG1-CB 4.43Å; I285-F570 PolarHBondContact N-O 3.28Å; I285-F570 VanDerWaalsContact N-O 3.15Å; I285-T572 HydrophobicContact CG2-CG2 4.46Å; I285-T572 CarbonylContact O-C 3.56Å; I285-T572 WeakPolarHBondContact O-CA 3.07Å; I285-I573 PolarHBondContact O-N 3.11Å
286V91Very high69.3Low6 Ų683.6 Ų83.64%0.03645%0.45CS..EExtended strand (participates in β ladder)trans-107.7111.1169.2179.60000108.4Q288 I534 A538 L539 V540 V541 I573V286-Q288 PolarHBondContact O-N 3.19Å; V286-I534 HydrophobicContact CG2-CG2 4.3Å; V286-A538 HydrophobicContact CG2-CB 3.94Å; V286-L539 PolarHBondContact N-O 3Å; V286-V540 HydrophobicContact CB-CG2 4.46Å; V286-V540 CarbonylContact O-C 3.56Å; V286-V540 VanDerWaalsContact O-CA 3.31Å; V286-V540 WeakPolarHBondContact O-CA 3.39Å; V286-V541 PolarHBondContact O-N 2.61Å; V286-I573 CarbonylContact C-O 3.2Å; V286-I573 WeakPolarHBondContact CA-O 3.27Å; V286-I573 HydrophobicContact CG2-CB 4.25Å; V286-I573 HydrophobicContact CG2-CD1 4.32Å
287I90.3Very high72.6Confident8 Ų876 Ų764%0.04141%0.414CS..EExtended strand (participates in β ladder)trans-83.1108.1173.7-62.1175.7000108.1I285 V541 P560 L565 T572 I573 R574I285-I287 HydrophobicContact CG2-CG1 4.01Å; I287-V541 VanDerWaalsContact CA-O 3.27Å; I287-V541 WeakPolarHBondContact CA-O 3.41Å; I287-P560 HydrophobicContact CD1-CB 4.22Å; I287-P560 HydrophobicContact CD1-CG 4.01Å; I287-P560 HydrophobicContact CG1-CG 4.27Å; I287-P560 HydrophobicContact CG2-CG 4.28Å; I287-L565 HydrophobicContact CD1-CB 4.34Å; I287-L565 HydrophobicContact CD1-CD1 4.12Å; I287-T572 HydrophobicContact CD1-CG2 3.5Å; I287-T572 HydrophobicContact CG1-CG2 3.88Å; I287-I573 PolarHBondContact N-O 3.25Å; I287-R574 HydrophobicContact CB-CG 4.15Å; I287-R574 HydrophobicContact CD1-CG 4.19Å; I287-R574 VanDerWaalsContact CD1-NH1 3.34Å; I287-R574 VanDerWaalsContact O-OXT 3.12Å
288Q89.1Confident75.9Confident58 Ų5870.6 Ų70.627%0.27138%0.382SS..  trans-110.5129.3179.8-170.2-173.45.600109.6V286 V540 V541 R542 P543V286-Q288 PolarHBondContact O-N 3.19Å; Q288-V540 HydrophobicContact CB-CG1 3.71Å; Q288-V541 PolarHBondContact N-O 2.97Å; Q288-R542 HydrophobicContact CB-CG 4.37Å; Q288-R542 WeakPolarHBondContact O-CA 3.36Å; Q288-R542 WeakPolarHBondContact O-CB 3.37Å; Q288-R542 WeakPolarHBondContact O-CG 3.49Å; Q288-R542 VanDerWaalsContact OE1-NH2 3.16Å; Q288-P543 WeakPolarHBondContact O-CD 3.34Å
289R84.8Confident79.2Confident138 Ų13865.8 Ų65.852%0.52135%0.351SS..PPolyproline II helixtrans-64137.2171-72.3-178.5177.9168.1-3.7109.9E14E14-R289 IonicContact OE2-NH1 2.91Å
290P81.4Confident82.4Confident35 Ų3562.8 Ų62.823%0.22732%0.318CS..PPolyproline II helixtrans-57.8148.4171.7-17.530.2000110.3E294 Y296 R542 P543P290-E294 WeakPolarHBondContact CA-OE2 3.42Å; P290-E294 HydrophobicContact CB-CB 3.85Å; P290-Y296 HydrophobicContact CB-CD2 3.91Å; P290-Y296 HydrophobicContact CB-CG 4.29Å; P290-Y296 HydrophobicContact CG-CD2 3.7Å; P290-Y296 HydrophobicContact CG-CG 4.21Å; P290-R542 HydrophobicContact CG-CB 4.21Å; P290-P543 WeakPolarHBondContact CG-O 3.46Å
291N79.2Confident85.1Confident92 Ų9257.9 Ų57.949%0.49229%0.294SS..PPolyproline II helixtrans-66.9161.4173.1-65.8-34000110.4N293 E294N291-N293 PolarHBondContact O-N 3.2Å; N291-N293 VanDerWaalsContact O-N 3.1Å; N291-E294 HydrophobicContact CB-CG 4.24Å; N291-E294 PolarHBondContact N-OE2 3.06Å; N291-E294 WeakPolarHBondContact O-CB 3.33Å; N291-E294 PolarHBondContact O-N 3.07Å
292E71.9Confident86.5Confident195 Ų19562.3 Ų62.391%0.91130%0.301SS*.THydrogen-bonded Turntrans-56.5-30.4178.8-65.9-176.9168.500113.2E294E292-E294 VanDerWaalsContact C-N 3.31Å
293N75.9Confident87.4Confident156 Ų15660.6 Ų60.683%0.83429%0.292SS*.THydrogen-bonded Turntrans-79.1-12.8177.6-58-12.7000113.4N291 E295N291-N293 PolarHBondContact O-N 3.2Å; N291-N293 VanDerWaalsContact O-N 3.1Å; N293-E295 PolarHBondContact O-N 2.91Å
294E76.3Confident87.8Confident54 Ų5458.5 Ų58.525%0.25228%0.278SS..  trans-95.292-179.7-65.5179.8151.200108.9P290 N291 E292 Y296 R542P290-E294 WeakPolarHBondContact CA-OE2 3.42Å; P290-E294 HydrophobicContact CB-CB 3.85Å; N291-E294 HydrophobicContact CB-CG 4.24Å; N291-E294 PolarHBondContact N-OE2 3.06Å; N291-E294 WeakPolarHBondContact O-CB 3.33Å; N291-E294 PolarHBondContact O-N 3.07Å; E292-E294 VanDerWaalsContact C-N 3.31Å; E294-Y296 HydrophobicContact CB-CD1 4.31Å; E294-Y296 HydrophobicContact CB-CE1 4.26Å; E294-Y296 PolarHBondContact O-N 2.96Å; E294-R542 VanDerWaalsContact CD-NH1 3.29Å; E294-R542 IonicContact OE1-CZ 2.69Å; E294-R542 IonicContact OE1-NH1 3Å; E294-R542 PolarHBondContact OE1-NH1 3.45Å; E294-R542 IonicContact OE2-CZ 2.8Å; E294-R542 IonicContact OE2-NH1 2.75Å; E294-R542 PolarHBondContact OE2-NH1 3.22Å
295E82.7Confident88Confident118 Ų11860.2 Ų60.255%0.55129%0.285SS*.  trans-73.654.8179.6-67.2-169164.800113.1N293 Q297 F361N293-E295 PolarHBondContact O-N 2.91Å; E295-Q297 PolarHBondContact O-N 3.27Å; E295-F361 VanDerWaalsContact O-CB 3.3Å; E295-F361 WeakPolarHBondContact O-CB 3.47Å
296Y92.3Very high87.9Confident29 Ų2965.9 Ų65.911%0.11432%0.32CS..  trans-67.981178.1-77.45.3000111.4P290 E294 T316 F361 R542 R545P290-Y296 HydrophobicContact CB-CD2 3.91Å; P290-Y296 HydrophobicContact CB-CG 4.29Å; P290-Y296 HydrophobicContact CG-CD2 3.7Å; P290-Y296 HydrophobicContact CG-CG 4.21Å; E294-Y296 HydrophobicContact CB-CD1 4.31Å; E294-Y296 HydrophobicContact CB-CE1 4.26Å; E294-Y296 PolarHBondContact O-N 2.96Å; Y296-T316 HydrophobicContact CD2-CG2 4.12Å; Y296-T316 HydrophobicContact CE2-CG2 3.8Å; Y296-T316 WeakPolarHBondContact CE2-OG1 3.37Å; Y296-F361 HydrophobicContact CD1-CD1 4.29Å; Y296-F361 AromaticContact CD1-CD2 3.74Å; Y296-F361 HydrophobicContact CD1-CD2 3.74Å; Y296-F361 HydrophobicContact CD1-CE1 4.31Å; Y296-F361 AromaticContact CD1-CE2 3.77Å; Y296-F361 HydrophobicContact CD1-CE2 3.77Å; Y296-F361 HydrophobicContact CD1-CG 4.01Å; Y296-F361 HydrophobicContact CD1-CZ 4.07Å; Y296-F361 AromaticContact CE1-CD2 3.89Å; Y296-F361 HydrophobicContact CE1-CD2 3.89Å; Y296-F361 AromaticContact CE1-CE2 3.86Å; Y296-F361 HydrophobicContact CE1-CE2 3.86Å; Y296-R542 HydrophobicContact CD2-CB 4.21Å; Y296-R542 HydrophobicContact CE2-CB 4.16Å; Y296-R545 PolarHBondContact O-N 2.92Å
297Q94.6Very high87.8Confident30 Ų3066.4 Ų66.414%0.1433%0.327CS..EExtended strand (participates in β ladder)trans-141.4141-173.2-174.4171.1-61.100111.4E295 N299 P362 L363 R545 V547E295-Q297 PolarHBondContact O-N 3.27Å; Q297-N299 PolarHBondContact NE2-OD1 3.29Å; Q297-P362 HydrophobicContact CB-CB 4.46Å; Q297-L363 PolarHBondContact O-N 3.22Å; Q297-R545 CarbonylContact C-O 3.57Å; Q297-R545 VanDerWaalsContact CA-O 3.25Å; Q297-R545 WeakPolarHBondContact CA-O 3.49Å; Q297-R545 HydrophobicContact CG-CB 4.34Å; Q297-V547 HydrophobicContact CG-CG1 4.36Å; Q297-V547 HydrophobicContact CG-CG2 3.77Å
298I97.1Very high87.9Confident0 Ų067.7 Ų67.70%034%0.336CS..EExtended strand (participates in β ladder)trans-112.2117168.5-60.8174.5000108Q300 I312 A314 L363 I544 R545 V546 V547I298-Q300 PolarHBondContact O-N 2.95Å; I298-I312 HydrophobicContact CD1-CD1 4.2Å; I298-I312 HydrophobicContact CD1-CG1 4.49Å; I298-I312 HydrophobicContact CG2-CG2 4.46Å; I298-A314 HydrophobicContact CD1-CB 3.51Å; I298-L363 CarbonylContact C-O 3.35Å; I298-L363 WeakPolarHBondContact CA-O 3.45Å; I298-L363 HydrophobicContact CG1-CB 4.09Å; I298-L363 HydrophobicContact CG1-CD1 4.19Å; I298-I544 HydrophobicContact CD1-CG2 4.04Å; I298-I544 HydrophobicContact CG1-CG2 3.8Å; I298-R545 PolarHBondContact N-O 2.96Å; I298-V546 HydrophobicContact CB-CG1 4.47Å; I298-V546 HydrophobicContact CB-CG2 4.23Å; I298-V546 HydrophobicContact CD1-CG2 4.33Å; I298-V546 HydrophobicContact CG2-CG1 4.47Å; I298-V546 WeakPolarHBondContact O-CA 3.45Å; I298-V547 PolarHBondContact O-N 3.23Å
299N96.4Very high88.2Confident29 Ų2965.1 Ų65.116%0.15532%0.323CS..EExtended strand (participates in β ladder)trans-83.299.1174-72-9.5000108.9Q297 L363 A364 Y365 V547 V549Q297-N299 PolarHBondContact NE2-OD1 3.29Å; N299-L363 WeakPolarHBondContact CB-O 3.46Å; N299-L363 PolarHBondContact N-O 3.32Å; N299-A364 CarbonylContact O-C 3.33Å; N299-A364 WeakPolarHBondContact O-CA 3.41Å; N299-Y365 PolarHBondContact O-N 3.23Å; N299-V547 WeakPolarHBondContact OD1-CG2 3.29Å; N299-V549 HydrophobicContact CB-CG1 3.47Å; N299-V549 VanDerWaalsContact CB-CG1 3.47Å
300Q95.7Very high88.7Confident7 Ų759.9 Ų59.93%0.03331%0.307CS..EExtended strand (participates in β ladder)trans-88.8128.1179.1-175.61799.600110.1I298 V304 P310 Y365 V546 V547 D548 V549I298-Q300 PolarHBondContact O-N 2.95Å; Q300-V304 HydrophobicContact CG-CG2 3.37Å; Q300-V304 VanDerWaalsContact NE2-CG2 3.28Å; Q300-P310 PolarHBondContact NE2-O 2.97Å; Q300-Y365 WeakPolarHBondContact CA-O 3.47Å; Q300-Y365 HydrophobicContact CG-CD1 4.11Å; Q300-V546 HydrophobicContact CB-CG1 3.94Å; Q300-V547 WeakPolarHBondContact CB-O 3.11Å; Q300-V547 PolarHBondContact N-O 3.41Å; Q300-D548 WeakPolarHBondContact O-CA 3.46Å; Q300-V549 PolarHBondContact O-N 3.26Å
301T93.8Very high89.4Confident30 Ų3062 Ų6218%0.18431%0.311CS..  trans-87.9156.217260.30000111.4S303 V304 Y365 T366 V549T301-S303 PolarHBondContact O-N 2.94Å; T301-S303 PolarHBondContact OG1-OG 3.23Å; T301-V304 WeakPolarHBondContact O-CG2 3.4Å; T301-V304 PolarHBondContact O-N 3.14Å; T301-Y365 PolarHBondContact N-O 3.08Å; T301-Y365 VanDerWaalsContact N-O 3.09Å; T301-Y365 PolarHBondContact OG1-O 2.98Å; T301-T366 WeakPolarHBondContact OG1-CA 3.49Å; T301-T366 WeakPolarHBondContact OG1-CB 3.28Å; T301-T366 PolarHBondContact OG1-OG1 3.39Å; T301-V549 HydrophobicContact CG2-CG2 3.87Å
302R90.4Very high90.3Very high160 Ų16057.8 Ų57.860%0.60429%0.289SS*.Hα-helixtrans-59.2-28.3175.4-175177-178-173.51.8112.5V304 K305 D550R302-V304 VanDerWaalsContact C-N 3.26Å; R302-V304 PolarHBondContact O-N 3.46Å; R302-K305 WeakPolarHBondContact O-CB 3.33Å; R302-K305 PolarHBondContact O-N 3.46Å; R302-D550 HydrophobicContact CB-CB 4.24Å; R302-D550 WeakPolarHBondContact CB-OD2 3.45Å; R302-D550 PolarHBondContact N-OD2 3.33Å
303S91.7Very high91.5Very high39 Ų3948.5 Ų48.527%0.27325%0.245SC..Hα-helixtrans-60.8-32.4-177.565.30000113.2T301 T306 G307 L367T301-S303 PolarHBondContact O-N 2.94Å; T301-S303 PolarHBondContact OG1-OG 3.23Å; S303-T306 PolarHBondContact O-OG1 2.91Å; S303-T306 VanDerWaalsContact O-OG1 3.1Å; S303-G307 PolarHBondContact O-N 3.03Å; S303-L367 WeakPolarHBondContact OG-CB 3.07Å; S303-L367 PolarHBondContact OG-N 3.21Å
304V93Very high92.6Very high1 Ų141.1 Ų41.11%0.00621%0.206CC..Hα-helixtrans-76-28.6175.4-680000113Q300 T301 R302 T306 G307 P310 Y365 L367Q300-V304 HydrophobicContact CG-CG2 3.37Å; Q300-V304 VanDerWaalsContact NE2-CG2 3.28Å; T301-V304 WeakPolarHBondContact O-CG2 3.4Å; T301-V304 PolarHBondContact O-N 3.14Å; R302-V304 VanDerWaalsContact C-N 3.26Å; R302-V304 PolarHBondContact O-N 3.46Å; V304-T306 PolarHBondContact O-N 3.25Å; V304-G307 WeakPolarHBondContact O-CA 3.34Å; V304-G307 PolarHBondContact O-N 3.07Å; V304-P310 VanDerWaalsContact O-CA 3.29Å; V304-P310 WeakPolarHBondContact O-CA 3.43Å; V304-Y365 HydrophobicContact CB-CD1 4.26Å; V304-Y365 HydrophobicContact CB-CE1 3.95Å; V304-Y365 HydrophobicContact CG1-CD1 4.25Å; V304-Y365 HydrophobicContact CG1-CE1 4.09Å; V304-Y365 HydrophobicContact CG1-CE2 4.41Å; V304-Y365 HydrophobicContact CG1-CG 4.48Å; V304-Y365 HydrophobicContact CG2-CD1 3.77Å; V304-Y365 HydrophobicContact CG2-CE1 3.88Å; V304-L367 HydrophobicContact CG1-CB 4.12Å
305K89.7Confident93.6Very high80 Ų8038.6 Ų38.635%0.34819%0.194SC..Hα-helixtrans-62.7-28.1178.3-66.8-174.2173.9-178.30112.4R302 P310 D548R302-K305 WeakPolarHBondContact O-CB 3.33Å; R302-K305 PolarHBondContact O-N 3.46Å; K305-P310 WeakPolarHBondContact O-CB 3.43Å; K305-D548 WeakPolarHBondContact CE-OD2 3.38Å; K305-D548 IonicContact NZ-OD2 3.06Å; K305-D548 PolarHBondContact NZ-OD2 2.91Å
306T88.8Confident94.3Very high119 Ų11933 Ų3373%0.7317%0.168SC*.THydrogen-bonded Turntrans-96.6-2.7173.453.30000113.1S303 V304S303-T306 PolarHBondContact O-OG1 2.91Å; S303-T306 VanDerWaalsContact O-OG1 3.1Å; V304-T306 PolarHBondContact O-N 3.25Å
307G89.4Confident94.5Very high17 Ų1731.6 Ų31.618%0.17516%0.163CC..SBendtrans-89.9-173.7-177.700000113.2S303 V304 R309S303-G307 PolarHBondContact O-N 3.03Å; V304-G307 WeakPolarHBondContact O-CA 3.34Å; V304-G307 PolarHBondContact O-N 3.07Å; G307-R309 PolarHBondContact O-N 3.46Å
308P92.5Very high94.5Very high35 Ų3531.2 Ų31.223%0.22716%0.161CC..SBendtrans-75.6-9.5-174.130.6-36.6000114.5V418 L419 P436P308-V418 HydrophobicContact CB-CG1 3.73Å; P308-V418 WeakPolarHBondContact CB-O 3.43Å; P308-L419 HydrophobicContact CG-CD2 3.95Å; P308-P436 HydrophobicContact CG-CG 3.81Å
309R94.6Very high94.3Very high3 Ų332.7 Ų32.71%0.01118%0.176CC..  trans-136.377.7178.6-67.8-70.1175.9-103.88.6109.7G307 Y311 R346 H347 Y365 V418 P436G307-R309 PolarHBondContact O-N 3.46Å; R309-Y311 VanDerWaalsContact C-N 3.32Å; R309-Y311 PolarHBondContact O-N 3.48Å; R309-R346 PolarHBondContact NH2-O 2.83Å; R309-H347 PolarHBondContact NH1-O 3.12Å; R309-H347 PolarHBondContact NH2-O 2.91Å; R309-Y365 WeakPolarHBondContact CB-OH 3.27Å; R309-Y365 PolarHBondContact O-OH 2.86Å; R309-V418 VanDerWaalsContact CZ-CG1 3.48Å; R309-P436 HydrophobicContact CB-CG 4.19Å; R309-P436 HydrophobicContact CG-CG 4.36Å
310P94.9Very high94.2Very high28 Ų2831.3 Ų31.318%0.18217%0.169CC..  trans-75.5-16.3-173.725.2-31.4000115.1Q300 V304 K305 G472Q300-P310 PolarHBondContact NE2-O 2.97Å; V304-P310 VanDerWaalsContact O-CA 3.29Å; V304-P310 WeakPolarHBondContact O-CA 3.43Å; K305-P310 WeakPolarHBondContact O-CB 3.43Å; P310-G472 WeakPolarHBondContact CD-O 3.4Å
311Y96.8Very high94.1Very high80 Ų8035.4 Ų35.431%0.31419%0.188SC..EExtended strand (participates in β ladder)trans-117.7138.8-177.8-57.3-85.8000111.1R309 S471 G472 I473 L475R309-Y311 VanDerWaalsContact C-N 3.32Å; R309-Y311 PolarHBondContact O-N 3.48Å; Y311-S471 CarbonylContact O-C 3.46Å; Y311-S471 WeakPolarHBondContact O-CA 3.32Å; Y311-G472 PolarHBondContact N-O 2.89Å; Y311-G472 PolarHBondContact O-N 3.27Å; Y311-I473 VanDerWaalsContact CD2-C 3.44Å; Y311-I473 WeakPolarHBondContact CD2-O 3.34Å; Y311-I473 WeakPolarHBondContact CE2-O 3.26Å; Y311-L475 HydrophobicContact CD1-CB 3.88Å; Y311-L475 HydrophobicContact CE1-CB 4.33Å; Y311-L475 HydrophobicContact CG-CB 4.4Å
312I97.8Very high94.1Very high3 Ų334.4 Ų34.42%0.01518%0.181CC..EExtended strand (participates in β ladder)trans-134.7140.3169.7-169.7166.5000109.2I298 Y365 V438 V470 V546 V557I298-I312 HydrophobicContact CD1-CD1 4.2Å; I298-I312 HydrophobicContact CD1-CG1 4.49Å; I298-I312 HydrophobicContact CG2-CG2 4.46Å; I312-Y365 HydrophobicContact CB-CD1 3.85Å; I312-Y365 HydrophobicContact CB-CE1 3.8Å; I312-Y365 HydrophobicContact CD1-CD1 4.07Å; I312-Y365 HydrophobicContact CD1-CD2 4.01Å; I312-Y365 HydrophobicContact CD1-CE1 4.35Å; I312-Y365 HydrophobicContact CD1-CE2 4.28Å; I312-Y365 HydrophobicContact CD1-CG 3.89Å; I312-Y365 HydrophobicContact CG2-CD1 3.49Å; I312-Y365 VanDerWaalsContact CG2-CD1 3.49Å; I312-Y365 HydrophobicContact CG2-CE1 3.92Å; I312-Y365 HydrophobicContact CG2-CG 4.2Å; I312-V438 HydrophobicContact CD1-CG2 4.07Å; I312-V470 CarbonylContact C-O 3.57Å; I312-V470 WeakPolarHBondContact CA-O 3.5Å; I312-V546 HydrophobicContact CG2-CG1 3.76Å; I312-V546 HydrophobicContact CG2-CG2 4.13Å; I312-V557 WeakPolarHBondContact O-CG1 3.34Å
313V98Very high94Very high0 Ų031.8 Ų31.80%019%0.185CC..EExtended strand (participates in β ladder)trans-127.2150.1165.1-570000108.3E469 V470 L475 C478 K479 A482 V557 F559V313-E469 WeakPolarHBondContact O-CA 3.44Å; V313-V470 HydrophobicContact CG2-CB 3.98Å; V313-V470 PolarHBondContact N-O 2.97Å; V313-V470 PolarHBondContact O-N 3.43Å; V313-L475 HydrophobicContact CG1-CD1 3.35Å; V313-C478 HydrophobicContact CG1-CB 4.04Å; V313-C478 HydrophobicContact CG2-CB 3.8Å; V313-K479 HydrophobicContact CG1-CG 4.13Å; V313-A482 HydrophobicContact CG2-CB 4.26Å; V313-V557 HydrophobicContact CG1-CG1 4.33Å; V313-V557 HydrophobicContact CG1-CG2 4.26Å; V313-F559 HydrophobicContact CB-CB 3.97Å; V313-F559 HydrophobicContact CB-CG 4.22Å; V313-F559 HydrophobicContact CG1-CB 4.43Å; V313-F559 HydrophobicContact CG2-CG 4.49Å
314A98Very high94Very high2 Ų232.2 Ų32.22%0.01719%0.188CC..EExtended strand (participates in β ladder)trans-148.7157.2174.900000111.4I298 L467 I468 E469 I544I298-A314 HydrophobicContact CD1-CB 3.51Å; A314-L467 HydrophobicContact CB-CD1 4.29Å; A314-I468 CarbonylContact C-O 3.5Å; A314-I468 WeakPolarHBondContact CA-O 3.42Å; A314-I468 WeakPolarHBondContact CB-O 3.38Å; A314-E469 HydrophobicContact CB-CB 4.21Å; A314-I544 HydrophobicContact CB-CB 4.21Å; A314-I544 HydrophobicContact CB-CD1 3.74Å; A314-I544 HydrophobicContact CB-CG2 4.28Å; A314-I544 WeakPolarHBondContact O-CB 3.47Å
315C97.7Very high94Very high0 Ų037.4 Ų37.40%021%0.212CC..EExtended strand (participates in β ladder)trans-151.9163.4168.464.30000109.6I468 V541 F559C315-I468 PolarHBondContact N-O 2.92Å; C315-I468 PolarHBondContact O-N 3.29Å; C315-V541 HydrophobicContact CB-CG1 4.11Å; C315-F559 HydrophobicContact CB-CD1 3.97Å; C315-F559 HydrophobicContact CB-CE1 4.28Å
316T97.1Very high94.2Very high0 Ų038.6 Ų38.60%023%0.226CC..EExtended strand (participates in β ladder)trans-105141.2169.662.40000110Y296 H318 L356 I466 L467 V541 R542 I544Y296-T316 HydrophobicContact CD2-CG2 4.12Å; Y296-T316 HydrophobicContact CE2-CG2 3.8Å; Y296-T316 WeakPolarHBondContact CE2-OG1 3.37Å; T316-H318 WeakPolarHBondContact CB-NE2 3.44Å; T316-H318 PolarHBondContact OG1-NE2 2.85Å; T316-L356 HydrophobicContact CG2-CD1 3.67Å; T316-L356 HydrophobicContact CG2-CD2 3.91Å; T316-L356 HydrophobicContact CG2-CG 4.46Å; T316-I466 CarbonylContact C-O 3.42Å; T316-I466 WeakPolarHBondContact CA-O 3.28Å; T316-L467 HydrophobicContact CG2-CD1 4.29Å; T316-V541 CarbonylContact O-C 3.58Å; T316-V541 VanDerWaalsContact O-CA 3.26Å; T316-V541 WeakPolarHBondContact O-CA 3.16Å; T316-R542 PolarHBondContact N-O 3.41Å; T316-R542 PolarHBondContact O-N 3.5Å; T316-R542 WeakPolarHBondContact OG1-CB 3.43Å; T316-I544 HydrophobicContact CG2-CD1 3.98Å; T316-I544 HydrophobicContact CG2-CG1 4.46Å
317V96.8Very high94.4Very high0 Ų036.8 Ų36.80%021%0.208CC..EExtended strand (participates in β ladder)trans-121.2119.9176-171.70000107.9V320 N465 I466 I468 I486 L489 L539 V540 V541V317-V320 HydrophobicContact CB-CG2 4.32Å; V317-V320 HydrophobicContact CG1-CG2 3.8Å; V317-N465 CarbonylContact O-C 3.57Å; V317-N465 WeakPolarHBondContact O-CA 3.46Å; V317-I466 PolarHBondContact N-O 3.09Å; V317-I466 PolarHBondContact O-N 2.81Å; V317-I468 HydrophobicContact CG2-CD1 3.53Å; V317-I468 HydrophobicContact CG2-CG1 4.25Å; V317-I486 HydrophobicContact CG2-CG1 4.32Å; V317-L489 HydrophobicContact CB-CD1 4.42Å; V317-L489 HydrophobicContact CG1-CD1 4.26Å; V317-L489 HydrophobicContact CG2-CD1 4.37Å; V317-L539 HydrophobicContact CG1-CB 4.1Å; V317-L539 HydrophobicContact CG1-CD1 4.07Å; V317-L539 HydrophobicContact CG1-CG 4.48Å; V317-V540 CarbonylContact C-O 3.53Å; V317-V540 WeakPolarHBondContact CA-O 3.31Å; V317-V541 HydrophobicContact CG1-CG2 4.38Å; V317-V541 HydrophobicContact CG2-CG2 4.28Å
318H95Very high94.7Very high22 Ų2236.6 Ų36.610%0.10220%0.203CC..EExtended strand (participates in β ladder)trans-112.6152.5-176-54.1-116.2000110.6T316 N465 V540T316-H318 WeakPolarHBondContact CB-NE2 3.44Å; T316-H318 PolarHBondContact OG1-NE2 2.85Å; H318-N465 WeakPolarHBondContact CA-OD1 3.23Å; H318-N465 WeakPolarHBondContact CB-OD1 3.29Å; H318-V540 HydrophobicContact CB-CB 4.2Å; H318-V540 PolarHBondContact CD2-O 3.05Å; H318-V540 PolarHBondContact N-O 3.23Å; H318-V540 PolarHBondContact O-N 2.87Å
319G92.6Very high94.8Very high32 Ų3240.9 Ų40.933%0.3322%0.215SC..SBendtrans81.219.3-178.700000113.7H464 P495 L539G319-H464 PolarHBondContact N-O 2.93Å; G319-H464 VanDerWaalsContact N-O 3.11Å; G319-P495 VanDerWaalsContact O-CD 3.23Å; G319-P495 WeakPolarHBondContact O-CD 3.1Å; G319-P495 VanDerWaalsContact O-CG 3.25Å; G319-P495 WeakPolarHBondContact O-CG 3.39Å; G319-L539 WeakPolarHBondContact O-CD2 3.34Å
320V94.3Very high94.9Very high0 Ų042.5 Ų42.50%023%0.229CC..  trans-71.3132.3176.3-178.10000109.3V317 F322 H464 I466 L489 A493 L539V317-V320 HydrophobicContact CB-CG2 4.32Å; V317-V320 HydrophobicContact CG1-CG2 3.8Å; V320-F322 HydrophobicContact CG1-CD2 4.34Å; V320-F322 HydrophobicContact CG1-CE1 4.39Å; V320-F322 HydrophobicContact CG1-CE2 3.83Å; V320-F322 HydrophobicContact CG1-CZ 3.85Å; V320-H464 PolarHBondContact N-O 3.26Å; V320-H464 VanDerWaalsContact O-CA 3.3Å; V320-H464 WeakPolarHBondContact O-CA 3.09Å; V320-I466 HydrophobicContact CB-CD1 4.26Å; V320-I466 HydrophobicContact CG1-CD1 3.9Å; V320-I466 HydrophobicContact CG2-CD1 4.11Å; V320-I466 HydrophobicContact CG2-CG1 4.32Å; V320-L489 HydrophobicContact CG1-CD2 3.99Å; V320-A493 HydrophobicContact CG1-CB 3.7Å; V320-L539 HydrophobicContact CG2-CD2 4.1Å
321E93.7Very high95Very high92 Ų9241.2 Ų41.243%0.4322%0.22SC..  trans-121.9125.2173.7-71.4-176.2-176.500110.2P323 A493 P495E321-P323 VanDerWaalsContact O-CD 3.32Å; E321-P323 WeakPolarHBondContact O-CD 3.48Å; E321-A493 PolarHBondContact N-O 3.13Å; E321-A493 VanDerWaalsContact O-CA 3.29Å; E321-A493 WeakPolarHBondContact O-CA 3.48Å; E321-A493 WeakPolarHBondContact O-CB 3.5Å; E321-P495 HydrophobicContact CG-CG 4.15Å
322F93.1Very high94.9Very high10 Ų1040.1 Ų40.14%0.04422%0.22CC..  trans-103.796.6168.3-65.1-67000109.1V320 S324 L328 F331 I466 W488 L489 A493V320-F322 HydrophobicContact CG1-CD2 4.34Å; V320-F322 HydrophobicContact CG1-CE1 4.39Å; V320-F322 HydrophobicContact CG1-CE2 3.83Å; V320-F322 HydrophobicContact CG1-CZ 3.85Å; F322-S324 PolarHBondContact O-N 2.91Å; F322-L328 HydrophobicContact CB-CB 4.34Å; F322-L328 HydrophobicContact CD1-CB 4.44Å; F322-L328 HydrophobicContact CD2-CD1 4.02Å; F322-L328 HydrophobicContact CE1-CD1 4.48Å; F322-L328 HydrophobicContact CE2-CD1 3.98Å; F322-L328 HydrophobicContact CG-CB 4.28Å; F322-L328 HydrophobicContact CG-CD1 4.29Å; F322-L328 HydrophobicContact CZ-CD1 4.23Å; F322-F331 HydrophobicContact CE1-CB 3.85Å; F322-F331 HydrophobicContact CE1-CD1 4.06Å; F322-F331 HydrophobicContact CE1-CG 4.04Å; F322-F331 HydrophobicContact CZ-CB 4.34Å; F322-F331 AromaticContact CZ-CD1 3.66Å; F322-F331 HydrophobicContact CZ-CD1 3.66Å; F322-F331 HydrophobicContact CZ-CE1 4.17Å; F322-F331 HydrophobicContact CZ-CG 4.11Å; F322-I466 HydrophobicContact CE2-CD1 3.95Å; F322-I466 HydrophobicContact CZ-CD1 3.97Å; F322-W488 HydrophobicContact CE1-CZ3 4.21Å; F322-L489 HydrophobicContact CE1-CD2 4.49Å; F322-L489 HydrophobicContact CZ-CD2 4.21Å; F322-A493 HydrophobicContact CD1-CB 4.32Å; F322-A493 HydrophobicContact CE1-CB 4.12Å
323P87.9Confident94.9Very high105 Ų10547.8 Ų47.868%0.68225%0.249SC*.  trans-63.8-14.9-171.2-23.534000114.7E321E321-P323 VanDerWaalsContact O-CD 3.32Å; E321-P323 WeakPolarHBondContact O-CD 3.48Å
324S91.5Very high94.8Very high48 Ų4848.4 Ų48.434%0.33625%0.253SS..SBendtrans-156.6160.2-179.9610000110.9F322 T326 K327 L328F322-S324 PolarHBondContact O-N 2.91Å; S324-T326 PolarHBondContact O-N 3.17Å; S324-K327 PolarHBondContact O-N 2.82Å; S324-K327 PolarHBondContact OG-N 3.2Å; S324-L328 PolarHBondContact O-N 2.97Å; S324-L328 VanDerWaalsContact O-N 3.17Å
325E94Very high94.7Very high109 Ų10949.2 Ų49.251%0.50926%0.257SS..Hα-helixtrans-58.5-30.9171.6-159.8-171.4162.700111.9K327 L328 R329 V461E325-K327 VanDerWaalsContact C-N 3.34Å; E325-K327 PolarHBondContact O-N 2.94Å; E325-L328 PolarHBondContact O-N 3.34Å; E325-R329 VanDerWaalsContact CD-NH2 3.26Å; E325-R329 HydrophobicContact CG-CG 4.5Å; E325-R329 WeakPolarHBondContact O-CB 3.39Å; E325-R329 VanDerWaalsContact O-CG 3.25Å; E325-R329 WeakPolarHBondContact O-CG 3.49Å; E325-R329 PolarHBondContact O-N 3.35Å; E325-R329 IonicContact OE1-CZ 2.73Å; E325-R329 VanDerWaalsContact OE1-CZ 3.24Å; E325-R329 IonicContact OE1-NE 2.78Å; E325-R329 PolarHBondContact OE1-NE 3.48Å; E325-R329 IonicContact OE1-NH2 3.14Å; E325-R329 PolarHBondContact OE1-NH2 3.06Å; E325-R329 IonicContact OE2-NH2 3.58Å; E325-R329 PolarHBondContact OE2-NH2 3.27Å; E325-V461 HydrophobicContact CB-CG1 4.29Å
326T93.6Very high94.5Very high105 Ų10554.8 Ų54.864%0.64428%0.283SS*.Hα-helixtrans-61-41.7174.8-56.50000112S324 R329 A330S324-T326 PolarHBondContact O-N 3.17Å; T326-R329 PolarHBondContact O-N 3.45Å; T326-A330 WeakPolarHBondContact O-CB 3.35Å; T326-A330 PolarHBondContact O-N 3.42Å
327K92.4Very high94.4Very high81 Ų8158.2 Ų58.235%0.35230%0.301SS..Hα-helixtrans-70.5-39.8177.5-76.9-72.5-172169.60111.9S324 E325 A330 F331S324-K327 PolarHBondContact O-N 2.82Å; S324-K327 PolarHBondContact OG-N 3.2Å; E325-K327 VanDerWaalsContact C-N 3.34Å; E325-K327 PolarHBondContact O-N 2.94Å; K327-A330 WeakPolarHBondContact O-CB 3.46Å; K327-A330 PolarHBondContact O-N 2.91Å; K327-F331 PolarHBondContact O-N 3.03Å
328L95.8Very high94.4Very high14 Ų1459.7 Ų59.77%0.07331%0.307CS..Hα-helixtrans-60-46.7171178.163.2000111.3F322 S324 E325 A330 F331 L332 L459 V461F322-L328 HydrophobicContact CB-CB 4.34Å; F322-L328 HydrophobicContact CD1-CB 4.44Å; F322-L328 HydrophobicContact CD2-CD1 4.02Å; F322-L328 HydrophobicContact CE1-CD1 4.48Å; F322-L328 HydrophobicContact CE2-CD1 3.98Å; F322-L328 HydrophobicContact CG-CB 4.28Å; F322-L328 HydrophobicContact CG-CD1 4.29Å; F322-L328 HydrophobicContact CZ-CD1 4.23Å; S324-L328 PolarHBondContact O-N 2.97Å; S324-L328 VanDerWaalsContact O-N 3.17Å; E325-L328 PolarHBondContact O-N 3.34Å; L328-A330 VanDerWaalsContact C-N 3.28Å; L328-A330 PolarHBondContact O-N 3.11Å; L328-F331 WeakPolarHBondContact O-CB 3.14Å; L328-F331 PolarHBondContact O-N 3.42Å; L328-F331 VanDerWaalsContact O-N 3.12Å; L328-L332 HydrophobicContact CG-CD1 4.47Å; L328-L332 WeakPolarHBondContact O-CG 3.47Å; L328-L332 PolarHBondContact O-N 2.91Å; L328-L459 HydrophobicContact CD1-CB 4.08Å; L328-V461 HydrophobicContact CB-CG1 4.33Å; L328-V461 HydrophobicContact CD2-CG1 4.04Å
329R95.8Very high94.4Very high125 Ų12559.2 Ų59.247%0.47231%0.305SS..Hα-helixtrans-62-34.9175.9-72174.4-173.9-172.83.6112.2E325 T326 L332 R333E325-R329 VanDerWaalsContact CD-NH2 3.26Å; E325-R329 HydrophobicContact CG-CG 4.5Å; E325-R329 WeakPolarHBondContact O-CB 3.39Å; E325-R329 VanDerWaalsContact O-CG 3.25Å; E325-R329 WeakPolarHBondContact O-CG 3.49Å; E325-R329 PolarHBondContact O-N 3.35Å; E325-R329 IonicContact OE1-CZ 2.73Å; E325-R329 VanDerWaalsContact OE1-CZ 3.24Å; E325-R329 IonicContact OE1-NE 2.78Å; E325-R329 PolarHBondContact OE1-NE 3.48Å; E325-R329 IonicContact OE1-NH2 3.14Å; E325-R329 PolarHBondContact OE1-NH2 3.06Å; E325-R329 IonicContact OE2-NH2 3.58Å; E325-R329 PolarHBondContact OE2-NH2 3.27Å; T326-R329 PolarHBondContact O-N 3.45Å; R329-L332 PolarHBondContact O-N 2.98Å; R329-R333 WeakPolarHBondContact O-CG 3.32Å; R329-R333 PolarHBondContact O-N 3.49Å
330A96Very high94.5Very high37 Ų3762.6 Ų62.631%0.30631%0.307SS..Hα-helixtrans-63.8-41.7173.500000111.5T326 K327 L328 R333 A334 W488T326-A330 WeakPolarHBondContact O-CB 3.35Å; T326-A330 PolarHBondContact O-N 3.42Å; K327-A330 WeakPolarHBondContact O-CB 3.46Å; K327-A330 PolarHBondContact O-N 2.91Å; L328-A330 VanDerWaalsContact C-N 3.28Å; L328-A330 PolarHBondContact O-N 3.11Å; A330-R333 PolarHBondContact O-N 2.93Å; A330-A334 PolarHBondContact O-N 2.98Å; A330-W488 HydrophobicContact CB-CZ2 4.24Å
331F97.1Very high94.4Very high0 Ų067.1 Ų67.10%033%0.331CS..Hα-helixtrans-60.8-47.8173.7-175-131.5000111.7F322 K327 L328 R333 A334 Q335 W338 T353 L459 I466 V485 W488 L489F322-F331 HydrophobicContact CE1-CB 3.85Å; F322-F331 HydrophobicContact CE1-CD1 4.06Å; F322-F331 HydrophobicContact CE1-CG 4.04Å; F322-F331 HydrophobicContact CZ-CB 4.34Å; F322-F331 AromaticContact CZ-CD1 3.66Å; F322-F331 HydrophobicContact CZ-CD1 3.66Å; F322-F331 HydrophobicContact CZ-CE1 4.17Å; F322-F331 HydrophobicContact CZ-CG 4.11Å; K327-F331 PolarHBondContact O-N 3.03Å; L328-F331 WeakPolarHBondContact O-CB 3.14Å; L328-F331 PolarHBondContact O-N 3.42Å; L328-F331 VanDerWaalsContact O-N 3.12Å; F331-R333 VanDerWaalsContact C-N 3.32Å; F331-R333 PolarHBondContact O-N 3.27Å; F331-A334 WeakPolarHBondContact O-CB 3.49Å; F331-A334 PolarHBondContact O-N 2.81Å; F331-Q335 WeakPolarHBondContact O-CG 3.3Å; F331-Q335 PolarHBondContact O-N 2.76Å; F331-W338 HydrophobicContact CD2-CH2 4.41Å; F331-W338 HydrophobicContact CD2-CZ3 4.48Å; F331-W338 HydrophobicContact CE2-CH2 4.15Å; F331-W338 HydrophobicContact CE2-CZ3 4.02Å; F331-T353 HydrophobicContact CE1-CG2 4.36Å; F331-T353 HydrophobicContact CZ-CG2 4.17Å; F331-L459 HydrophobicContact CD1-CD1 3.91Å; F331-L459 HydrophobicContact CE1-CD1 3.59Å; F331-I466 HydrophobicContact CE1-CD1 4.31Å; F331-V485 HydrophobicContact CE2-CG1 4.05Å; F331-V485 HydrophobicContact CZ-CG1 4.02Å; F331-W488 VanDerWaalsContact CA-CH2 3.46Å; F331-W488 HydrophobicContact CB-CE3 4.36Å; F331-W488 HydrophobicContact CB-CH2 3.43Å; F331-W488 VanDerWaalsContact CB-CH2 3.43Å; F331-W488 HydrophobicContact CB-CZ2 4.17Å; F331-W488 HydrophobicContact CB-CZ3 3.54Å; F331-W488 AromaticContact CD2-CD2 3.91Å; F331-W488 HydrophobicContact CD2-CD2 3.91Å; F331-W488 AromaticContact CD2-CE3 3.25Å; F331-W488 HydrophobicContact CD2-CE3 3.25Å; F331-W488 AromaticContact CD2-CH2 3.95Å; F331-W488 HydrophobicContact CD2-CH2 3.95Å; F331-W488 HydrophobicContact CD2-CZ2 4.48Å; F331-W488 AromaticContact CD2-CZ3 3.3Å; F331-W488 HydrophobicContact CD2-CZ3 3.3Å; F331-W488 AromaticContact CE2-CE3 3.83Å; F331-W488 HydrophobicContact CE2-CE3 3.83Å; F331-W488 HydrophobicContact CE2-CZ3 4.2Å; F331-W488 HydrophobicContact CG-CE3 4.13Å; F331-W488 HydrophobicContact CG-CH2 4.1Å; F331-W488 AromaticContact CG-CZ3 3.69Å; F331-W488 HydrophobicContact CG-CZ3 3.69Å; F331-L489 HydrophobicContact CD2-CD2 4.25Å; F331-L489 HydrophobicContact CE1-CD2 4.36Å; F331-L489 HydrophobicContact CE2-CD2 3.8Å; F331-L489 HydrophobicContact CE2-CG 4.1Å; F331-L489 HydrophobicContact CZ-CD1 4.45Å; F331-L489 HydrophobicContact CZ-CD2 3.87Å; F331-L489 HydrophobicContact CZ-CG 4.28Å
332L95.4Very high94.4Very high58 Ų5864.3 Ų64.330%0.30432%0.319SS..Hα-helixtrans-60.8-40178.8-63.2176.6000112.2L328 R329 Q335 E336L328-L332 HydrophobicContact CG-CD1 4.47Å; L328-L332 WeakPolarHBondContact O-CG 3.47Å; L328-L332 PolarHBondContact O-N 2.91Å; R329-L332 PolarHBondContact O-N 2.98Å; L332-Q335 WeakPolarHBondContact O-CB 3.34Å; L332-Q335 PolarHBondContact O-N 2.85Å; L332-E336 PolarHBondContact O-N 3.49Å
333R96.1Very high94.4Very high164 Ų16463.8 Ų63.862%0.61932%0.317SS*.Hα-helixtrans-65.4-37.7173.1-72.7174.2-174.6170.61.1112.5R329 A330 F331 Q335 E336 N337R329-R333 WeakPolarHBondContact O-CG 3.32Å; R329-R333 PolarHBondContact O-N 3.49Å; A330-R333 PolarHBondContact O-N 2.93Å; F331-R333 VanDerWaalsContact C-N 3.32Å; F331-R333 PolarHBondContact O-N 3.27Å; R333-Q335 VanDerWaalsContact C-N 3.3Å; R333-Q335 PolarHBondContact O-N 2.95Å; R333-E336 PolarHBondContact O-N 3Å; R333-N337 PolarHBondContact O-N 2.94Å; R333-N337 VanDerWaalsContact O-N 3.1Å
334A96.9Very high94.6Very high12 Ų1263.8 Ų63.810%0.09931%0.308CS..Hα-helixtrans-61.8-41.1175.500000110.9A330 F331 E336 N337 W338A330-A334 PolarHBondContact O-N 2.98Å; F331-A334 WeakPolarHBondContact O-CB 3.49Å; F331-A334 PolarHBondContact O-N 2.81Å; A334-E336 PolarHBondContact O-N 2.78Å; A334-N337 PolarHBondContact O-N 3.31Å; A334-N337 VanDerWaalsContact O-N 3.17Å; A334-W338 HydrophobicContact CB-CD2 4.5Å; A334-W338 HydrophobicContact CB-CE3 4.5Å; A334-W338 HydrophobicContact CB-CH2 3.73Å; A334-W338 HydrophobicContact CB-CZ2 3.74Å; A334-W338 HydrophobicContact CB-CZ3 4.12Å; A334-W338 VanDerWaalsContact O-CD2 3.23Å; A334-W338 VanDerWaalsContact O-CG 3.29Å; A334-W338 PolarHBondContact O-N 3.13Å
335Q96.8Very high94.6Very high19 Ų1963.9 Ų63.99%0.08930%0.303CS..Hα-helixtrans-59.3-43.5174.4-62.2-173.125.100112.8F331 L332 R333 N337 W338 H339 L351 T353F331-Q335 WeakPolarHBondContact O-CG 3.3Å; F331-Q335 PolarHBondContact O-N 2.76Å; L332-Q335 WeakPolarHBondContact O-CB 3.34Å; L332-Q335 PolarHBondContact O-N 2.85Å; R333-Q335 VanDerWaalsContact C-N 3.3Å; R333-Q335 PolarHBondContact O-N 2.95Å; Q335-N337 VanDerWaalsContact C-N 3.31Å; Q335-N337 PolarHBondContact O-N 3.33Å; Q335-W338 HydrophobicContact CB-CE3 4.49Å; Q335-W338 HydrophobicContact CG-CE3 4.25Å; Q335-W338 HydrophobicContact CG-CZ3 4.09Å; Q335-W338 PolarHBondContact O-N 3.13Å; Q335-H339 PolarHBondContact O-N 3.36Å; Q335-L351 HydrophobicContact CB-CD2 4.22Å; Q335-L351 HydrophobicContact CG-CD2 3.83Å; Q335-T353 PolarHBondContact NE2-OG1 2.93Å; Q335-T353 PolarHBondContact OE1-OG1 2.95Å
336E93.2Very high94.6Very high118 Ų11861.7 Ų61.755%0.55129%0.291SS*.Hα-helixtrans-61-39.9175.6-68.8177.1-177.900112.2L332 R333 A334 R340L332-E336 PolarHBondContact O-N 3.49Å; R333-E336 PolarHBondContact O-N 3Å; A334-E336 PolarHBondContact O-N 2.78Å; E336-R340 PolarHBondContact O-N 2.88Å; E336-R340 VanDerWaalsContact O-N 3.14Å
337N95.2Very high94.5Very high71 Ų7160.9 Ų60.938%0.3828%0.279SS..Hα-helixtrans-68.8-41.9176.3-69.8-23.4000111.9R333 A334 Q335 H339 R340 D341R333-N337 PolarHBondContact O-N 2.94Å; R333-N337 VanDerWaalsContact O-N 3.1Å; A334-N337 PolarHBondContact O-N 3.31Å; A334-N337 VanDerWaalsContact O-N 3.17Å; Q335-N337 VanDerWaalsContact C-N 3.31Å; Q335-N337 PolarHBondContact O-N 3.33Å; N337-H339 VanDerWaalsContact C-N 3.34Å; N337-H339 PolarHBondContact O-N 3.1Å; N337-R340 WeakPolarHBondContact O-CA 3.33Å; N337-R340 VanDerWaalsContact O-CB 3.26Å; N337-R340 WeakPolarHBondContact O-CB 3.45Å; N337-R340 PolarHBondContact O-N 2.82Å; N337-R340 VanDerWaalsContact O-N 3.1Å; N337-R340 PolarHBondContact OD1-NH2 3.19Å; N337-D341 PolarHBondContact O-N 3.07Å
338W96.9Very high94.6Very high31 Ų3160 Ų6012%0.11728%0.276CS..Hα-helixtrans-67.5-34.7176.3-57.9-40.2000112.7F331 A334 Q335 R340 D341 I342 G343 L351 F481 V484 V485 W488F331-W338 HydrophobicContact CD2-CH2 4.41Å; F331-W338 HydrophobicContact CD2-CZ3 4.48Å; F331-W338 HydrophobicContact CE2-CH2 4.15Å; F331-W338 HydrophobicContact CE2-CZ3 4.02Å; A334-W338 HydrophobicContact CB-CD2 4.5Å; A334-W338 HydrophobicContact CB-CE3 4.5Å; A334-W338 HydrophobicContact CB-CH2 3.73Å; A334-W338 HydrophobicContact CB-CZ2 3.74Å; A334-W338 HydrophobicContact CB-CZ3 4.12Å; A334-W338 VanDerWaalsContact O-CD2 3.23Å; A334-W338 VanDerWaalsContact O-CG 3.29Å; A334-W338 PolarHBondContact O-N 3.13Å; Q335-W338 HydrophobicContact CB-CE3 4.49Å; Q335-W338 HydrophobicContact CG-CE3 4.25Å; Q335-W338 HydrophobicContact CG-CZ3 4.09Å; Q335-W338 PolarHBondContact O-N 3.13Å; W338-R340 VanDerWaalsContact C-N 3.26Å; W338-R340 PolarHBondContact O-N 3.38Å; W338-D341 PolarHBondContact O-N 3.38Å; W338-I342 HydrophobicContact CB-CD1 4.28Å; W338-I342 HydrophobicContact CG-CD1 4.26Å; W338-I342 WeakPolarHBondContact O-CA 3.46Å; W338-I342 PolarHBondContact O-N 3.41Å; W338-G343 PolarHBondContact O-N 3.02Å; W338-L351 HydrophobicContact CE3-CD2 3.91Å; W338-L351 HydrophobicContact CZ3-CD2 4.33Å; W338-F481 HydrophobicContact CB-CD2 4.24Å; W338-F481 HydrophobicContact CB-CE2 3.28Å; W338-F481 HydrophobicContact CB-CZ 3.67Å; W338-F481 HydrophobicContact CD2-CE2 4.49Å; W338-F481 HydrophobicContact CE3-CE2 4.4Å; W338-F481 HydrophobicContact CG-CE2 4.11Å; W338-V484 HydrophobicContact CD2-CG1 4.26Å; W338-V484 HydrophobicContact CG-CG1 4.37Å; W338-V484 HydrophobicContact CZ2-CG1 4.13Å; W338-V485 HydrophobicContact CE3-CG2 3.79Å; W338-V485 HydrophobicContact CH2-CG2 4.45Å; W338-V485 HydrophobicContact CZ3-CB 4.19Å; W338-V485 HydrophobicContact CZ3-CG1 4.17Å; W338-V485 HydrophobicContact CZ3-CG2 3.7Å; W338-W488 HydrophobicContact CH2-CB 3.45Å; W338-W488 VanDerWaalsContact CH2-CB 3.45Å; W338-W488 AromaticContact CH2-CD1 3.95Å; W338-W488 HydrophobicContact CH2-CD2 4.16Å; W338-W488 AromaticContact CH2-CG 3.54Å; W338-W488 HydrophobicContact CH2-CG 3.54Å; W338-W488 HydrophobicContact CZ2-CB 3.51Å; W338-W488 AromaticContact CZ2-CD1 3.61Å; W338-W488 AromaticContact CZ2-CG 3.6Å; W338-W488 HydrophobicContact CZ2-CG 3.6Å
339H95Very high94.6Very high13 Ų1359.4 Ų59.46%0.0627%0.273CS..Hα-helixtrans-61-36.9170.7-78.1152.2000112Q335 N337 G343 Q344 M345 R346 L351 F481Q335-H339 PolarHBondContact O-N 3.36Å; N337-H339 VanDerWaalsContact C-N 3.34Å; N337-H339 PolarHBondContact O-N 3.1Å; H339-G343 CarbonylContact O-C 3.43Å; H339-G343 WeakPolarHBondContact O-CA 3.16Å; H339-Q344 PolarHBondContact O-N 3.09Å; H339-M345 CarbonylContact O-C 3.52Å; H339-M345 WeakPolarHBondContact O-CA 3.37Å; H339-M345 PolarHBondContact O-N 3.02Å; H339-R346 HydrophobicContact CB-CG 3.79Å; H339-R346 PolarHBondContact CE1-NE 3.07Å; H339-R346 PolarHBondContact ND1-NE 2.94Å; H339-R346 PolarHBondContact ND1-NH2 2.98Å; H339-R346 PolarHBondContact O-N 2.83Å; H339-L351 PolarHBondContact CE1-O 3.17Å; H339-L351 PolarHBondContact NE2-N 2.75Å; H339-L351 PolarHBondContact NE2-O 3.43Å; H339-F481 AromaticContact CD2-CZ 3.84Å
340R93.1Very high94.7Very high103 Ų10353.8 Ų53.839%0.38925%0.253SS..Hα-helixtrans-65.6-50.9175.8-174-170.7-26.3-81.7-3.6111.3E336 N337 W338 Q344 M345E336-R340 PolarHBondContact O-N 2.88Å; E336-R340 VanDerWaalsContact O-N 3.14Å; N337-R340 WeakPolarHBondContact O-CA 3.33Å; N337-R340 VanDerWaalsContact O-CB 3.26Å; N337-R340 WeakPolarHBondContact O-CB 3.45Å; N337-R340 PolarHBondContact O-N 2.82Å; N337-R340 VanDerWaalsContact O-N 3.1Å; N337-R340 PolarHBondContact OD1-NH2 3.19Å; W338-R340 VanDerWaalsContact C-N 3.26Å; W338-R340 PolarHBondContact O-N 3.38Å; R340-Q344 WeakPolarHBondContact O-CA 3.38Å; R340-M345 HydrophobicContact CB-SD 4.16Å; R340-M345 HydrophobicContact CG-CE 3.51Å; R340-M345 HydrophobicContact CG-SD 3.74Å; R340-M345 PolarHBondContact O-N 2.89Å
341D93.1Very high94.8Very high94 Ų9452.2 Ų52.250%0.50324%0.239SC..Hα-helixtrans-91.5-65.6-167.9-57-24.9000111.6N337 W338 Q344N337-D341 PolarHBondContact O-N 3.07Å; W338-D341 PolarHBondContact O-N 3.38Å; D341-Q344 PolarHBondContact O-N 2.58Å; D341-Q344 PolarHBondContact O-NE2 2.92Å
342I93.5Very high94.9Very high33 Ų3352.3 Ų52.317%0.16924%0.24CC..THydrogen-bonded Turntrans-71.6-47.1-177.2-55.6174.2000110.5W338 Q344 L477 F481 V484W338-I342 HydrophobicContact CB-CD1 4.28Å; W338-I342 HydrophobicContact CG-CD1 4.26Å; W338-I342 WeakPolarHBondContact O-CA 3.46Å; W338-I342 PolarHBondContact O-N 3.41Å; I342-Q344 PolarHBondContact O-N 3.07Å; I342-L477 HydrophobicContact CG2-CD1 3.96Å; I342-F481 HydrophobicContact CB-CD1 4.46Å; I342-F481 HydrophobicContact CB-CD2 4.42Å; I342-F481 HydrophobicContact CB-CG 4.36Å; I342-F481 HydrophobicContact CD1-CD2 4.34Å; I342-F481 HydrophobicContact CG2-CB 3.82Å; I342-F481 HydrophobicContact CG2-CD1 3.95Å; I342-F481 HydrophobicContact CG2-CD2 4.18Å; I342-F481 HydrophobicContact CG2-CG 3.73Å; I342-V484 HydrophobicContact CD1-CB 3.92Å; I342-V484 HydrophobicContact CD1-CG1 3.77Å; I342-V484 HydrophobicContact CD1-CG2 3.8Å
343G92.4Very high95Very high0 Ų050 Ų500%023%0.228CC..THydrogen-bonded Turntrans-71-9.8177.200000114.2W338 H339 R346 H347 H348 A349W338-G343 PolarHBondContact O-N 3.02Å; H339-G343 CarbonylContact O-C 3.43Å; H339-G343 WeakPolarHBondContact O-CA 3.16Å; G343-R346 CarbonylContact O-C 3.58Å; G343-R346 WeakPolarHBondContact O-CA 3.44Å; G343-R346 PolarHBondContact O-N 3.36Å; G343-H347 PolarHBondContact O-N 3.37Å; G343-H348 PolarHBondContact O-N 2.73Å; G343-A349 WeakPolarHBondContact CA-O 3.17Å; G343-A349 PolarHBondContact O-N 3.5Å
344Q92.7Very high95.1Very high104 Ų10442.1 Ų42.149%0.48620%0.199SC..THydrogen-bonded Turntrans53.259.8-176.5-67.5-73.1-5000111.7H339 R340 D341 I342 R346 H347 H348H339-Q344 PolarHBondContact O-N 3.09Å; R340-Q344 WeakPolarHBondContact O-CA 3.38Å; D341-Q344 PolarHBondContact O-N 2.58Å; D341-Q344 PolarHBondContact O-NE2 2.92Å; I342-Q344 PolarHBondContact O-N 3.07Å; Q344-R346 VanDerWaalsContact C-N 3.29Å; Q344-R346 PolarHBondContact O-N 3.43Å; Q344-H347 WeakPolarHBondContact O-CB 3.38Å; Q344-H347 PolarHBondContact O-N 3.43Å; Q344-H348 HydrophobicContact CB-CB 4.31Å; Q344-H348 WeakPolarHBondContact CG-ND1 3.49Å
345M92Very high95.1Very high50 Ų5042 Ų4225%0.24620%0.196CC..THydrogen-bonded Turntrans53.645-170.5-58.2-73.3-169.300112.4H339 R340 H347 Q411H339-M345 CarbonylContact O-C 3.52Å; H339-M345 WeakPolarHBondContact O-CA 3.37Å; H339-M345 PolarHBondContact O-N 3.02Å; R340-M345 HydrophobicContact CB-SD 4.16Å; R340-M345 HydrophobicContact CG-CE 3.51Å; R340-M345 HydrophobicContact CG-SD 3.74Å; R340-M345 PolarHBondContact O-N 2.89Å; M345-H347 PolarHBondContact O-N 2.99Å; M345-Q411 HydrophobicContact CE-CB 4.11Å; M345-Q411 HydrophobicContact CG-CB 4.49Å
346R94.2Very high95.1Very high64 Ų6441.9 Ų41.924%0.24220%0.196CC..THydrogen-bonded Turntrans57.69.2-172.9-54.7-178.1-179.4172.22.8115.7R309 H339 G343 Q344 A349 Y415 P450 L451R309-R346 PolarHBondContact NH2-O 2.83Å; H339-R346 HydrophobicContact CB-CG 3.79Å; H339-R346 PolarHBondContact CE1-NE 3.07Å; H339-R346 PolarHBondContact ND1-NE 2.94Å; H339-R346 PolarHBondContact ND1-NH2 2.98Å; H339-R346 PolarHBondContact O-N 2.83Å; G343-R346 CarbonylContact O-C 3.58Å; G343-R346 WeakPolarHBondContact O-CA 3.44Å; G343-R346 PolarHBondContact O-N 3.36Å; Q344-R346 VanDerWaalsContact C-N 3.29Å; Q344-R346 PolarHBondContact O-N 3.43Å; R346-A349 WeakPolarHBondContact CA-O 3.2Å; R346-Y415 HydrophobicContact CB-CG 4.31Å; R346-P450 HydrophobicContact CB-CB 4.43Å; R346-L451 PolarHBondContact NH1-O 3.38Å
347H91.3Very high95.2Very high87 Ų8741.6 Ų41.640%0.40320%0.195SC..THydrogen-bonded Turntrans-71.9-36.5-178.9-173-100.8000112.3R309 G343 Q344 M345R309-H347 PolarHBondContact NH1-O 3.12Å; R309-H347 PolarHBondContact NH2-O 2.91Å; G343-H347 PolarHBondContact O-N 3.37Å; Q344-H347 WeakPolarHBondContact O-CB 3.38Å; Q344-H347 PolarHBondContact O-N 3.43Å; M345-H347 PolarHBondContact O-N 2.99Å
348H93.7Very high95.2Very high64 Ų6442.6 Ų42.630%0.29620%0.199SC..SBendtrans-102-33.5-177.6-65168.1000113.8G343 Q344 G472 I473 L477G343-H348 PolarHBondContact O-N 2.73Å; Q344-H348 HydrophobicContact CB-CB 4.31Å; Q344-H348 WeakPolarHBondContact CG-ND1 3.49Å; H348-G472 CarbonylContact O-C 3.53Å; H348-G472 WeakPolarHBondContact O-CA 3.27Å; H348-I473 HydrophobicContact CB-CD1 3.89Å; H348-I473 HydrophobicContact CB-CG1 4.14Å; H348-I473 PolarHBondContact O-N 3.45Å; H348-L477 HydrophobicContact CB-CD2 3.54Å
349A96.9Very high95.1Very high0 Ų041.4 Ų41.40%020%0.195CC..EExtended strand (participates in β ladder)trans-151.3152.9178.800000111.4G343 R346 V470 S471 L477 F481G343-A349 WeakPolarHBondContact CA-O 3.17Å; G343-A349 PolarHBondContact O-N 3.5Å; R346-A349 WeakPolarHBondContact CA-O 3.2Å; A349-V470 HydrophobicContact CB-CG1 4.29Å; A349-S471 CarbonylContact C-O 3.57Å; A349-S471 WeakPolarHBondContact CA-O 3.4Å; A349-L477 HydrophobicContact CB-CD2 3.83Å; A349-L477 HydrophobicContact CB-CG 4.04Å; A349-F481 HydrophobicContact CB-CD1 3.84Å; A349-F481 HydrophobicContact CB-CE1 4.3Å
350T97.5Very high95.1Very high8 Ų847.1 Ų47.15%0.04922%0.216CC..EExtended strand (participates in β ladder)trans-131.3115.2178.7-54.80000108.8P449 P450 V470 S471T350-P449 HydrophobicContact CG2-CB 4.3Å; T350-P450 WeakPolarHBondContact OG1-CA 3.27Å; T350-P450 VanDerWaalsContact OG1-CB 3.27Å; T350-P450 WeakPolarHBondContact OG1-CB 3.27Å; T350-V470 WeakPolarHBondContact O-CA 3.39Å; T350-S471 PolarHBondContact N-O 2.87Å; T350-S471 PolarHBondContact O-N 3.31Å
351L98.2Very high95.2Very high3 Ų343.9 Ų43.92%0.01621%0.205CC..EExtended strand (participates in β ladder)trans-77137.5165.7170.467.9000110.2Q335 W338 H339 T353 I468 V470 F481 V485Q335-L351 HydrophobicContact CB-CD2 4.22Å; Q335-L351 HydrophobicContact CG-CD2 3.83Å; W338-L351 HydrophobicContact CE3-CD2 3.91Å; W338-L351 HydrophobicContact CZ3-CD2 4.33Å; H339-L351 PolarHBondContact CE1-O 3.17Å; H339-L351 PolarHBondContact NE2-N 2.75Å; H339-L351 PolarHBondContact NE2-O 3.43Å; L351-T353 HydrophobicContact CD1-CG2 3.99Å; L351-T353 HydrophobicContact CD2-CG2 4.39Å; L351-T353 HydrophobicContact CG-CG2 4.21Å; L351-I468 HydrophobicContact CD1-CG2 3.86Å; L351-V470 HydrophobicContact CD1-CG2 3.91Å; L351-F481 HydrophobicContact CB-CD2 4.4Å; L351-F481 HydrophobicContact CB-CE1 3.9Å; L351-F481 HydrophobicContact CB-CE2 3.7Å; L351-F481 HydrophobicContact CB-CZ 3.44Å; L351-F481 VanDerWaalsContact CB-CZ 3.44Å; L351-F481 HydrophobicContact CD2-CE2 3.85Å; L351-F481 HydrophobicContact CD2-CZ 4.27Å; L351-F481 HydrophobicContact CG-CE2 4.34Å; L351-F481 HydrophobicContact CG-CZ 4.48Å; L351-V485 HydrophobicContact CD1-CG2 3.81Å; L351-V485 HydrophobicContact CD2-CG2 3.52Å; L351-V485 HydrophobicContact CG-CG2 4.3Å
352A98Very high95.2Very high3 Ų341.1 Ų41.13%0.02519%0.192CC..EExtended strand (participates in β ladder)trans-133.7136.816500000109.5N453 E469A352-N453 WeakPolarHBondContact CB-ND2 3.21Å; A352-N453 WeakPolarHBondContact CB-OD1 3.29Å; A352-E469 HydrophobicContact CB-CG 3.52Å; A352-E469 VanDerWaalsContact CB-OE1 3.27Å; A352-E469 WeakPolarHBondContact CB-OE1 3.39Å; A352-E469 PolarHBondContact N-O 3.48Å; A352-E469 WeakPolarHBondContact O-CG 3.43Å; A352-E469 PolarHBondContact O-N 2.72Å
353T98.1Very high95.4Very high8 Ų839.6 Ų39.65%0.04918%0.184CC..EExtended strand (participates in β ladder)trans-124.4138.2179.259.40000109.9F331 Q335 L351 N453 L459 I466 L467F331-T353 HydrophobicContact CE1-CG2 4.36Å; F331-T353 HydrophobicContact CZ-CG2 4.17Å; Q335-T353 PolarHBondContact NE2-OG1 2.93Å; Q335-T353 PolarHBondContact OE1-OG1 2.95Å; L351-T353 HydrophobicContact CD1-CG2 3.99Å; L351-T353 HydrophobicContact CD2-CG2 4.39Å; L351-T353 HydrophobicContact CG-CG2 4.21Å; T353-N453 PolarHBondContact N-ND2 3.44Å; T353-N453 PolarHBondContact O-ND2 2.73Å; T353-N453 VanDerWaalsContact O-ND2 3.08Å; T353-L459 WeakPolarHBondContact OG1-CD1 3.44Å; T353-I466 HydrophobicContact CG2-CG2 4.5Å; T353-L467 WeakPolarHBondContact CA-O 3.49Å
354H97.9Very high95.6Very high0 Ų041.3 Ų41.30%020%0.198CC..EExtended strand (participates in β ladder)trans-135.9149.4-173.6-53.2-87.6000111.7L356 I359 I446 N453 T457 L459 I466 L467 E469H354-L356 PolarHBondContact O-N 2.91Å; H354-I359 HydrophobicContact CB-CD1 3.35Å; H354-I446 PolarHBondContact CE1-O 3Å; H354-N453 PolarHBondContact CE1-ND2 3.03Å; H354-N453 VanDerWaalsContact CE1-ND2 3.32Å; H354-T457 WeakPolarHBondContact CA-O 3.43Å; H354-T457 PolarHBondContact ND1-OG1 3.31Å; H354-L459 VanDerWaalsContact C-CD2 3.49Å; H354-I466 WeakPolarHBondContact O-CA 3.26Å; H354-L467 HydrophobicContact CB-CB 4.19Å; H354-L467 PolarHBondContact N-O 2.92Å; H354-L467 PolarHBondContact O-N 3.29Å; H354-E469 IonicContact NE2-OE1 3.57Å; H354-E469 IonicContact NE2-OE2 2.73Å
355D97.5Very high95.8Very high9 Ų936.3 Ų36.35%0.04818%0.175CC..EExtended strand (participates in β ladder)trans-68.8115.4165.5-167.6-39.8000109.2Q357 L358 T457 L459 T463D355-Q357 PolarHBondContact O-N 2.91Å; D355-Q357 WeakPolarHBondContact OD1-CB 3.49Å; D355-Q357 PolarHBondContact OD1-N 3.37Å; D355-L358 HydrophobicContact CB-CD1 3.9Å; D355-L358 HydrophobicContact CB-CG 4.13Å; D355-L358 PolarHBondContact O-N 3.42Å; D355-T457 PolarHBondContact N-O 3.32Å; D355-L459 HydrophobicContact CB-CD2 4.5Å; D355-T463 HydrophobicContact CB-CG2 3.89Å; D355-T463 WeakPolarHBondContact OD2-CB 3.37Å; D355-T463 WeakPolarHBondContact OD2-CG2 3.42Å; D355-T463 PolarHBondContact OD2-OG1 3.13Å
356L96.3Very high96.1Very high16 Ų1635 Ų358%0.08417%0.17CC..G310 helixtrans-63.4-30-175.2-175.465.5000112.3T316 H354 L358 I359 F361 N465 L467T316-L356 HydrophobicContact CG2-CD1 3.67Å; T316-L356 HydrophobicContact CG2-CD2 3.91Å; T316-L356 HydrophobicContact CG2-CG 4.46Å; H354-L356 PolarHBondContact O-N 2.91Å; L356-L358 PolarHBondContact O-N 2.83Å; L356-I359 PolarHBondContact O-N 3.29Å; L356-F361 HydrophobicContact CD1-CE2 3.82Å; L356-F361 HydrophobicContact CD1-CZ 4.46Å; L356-N465 HydrophobicContact CB-CB 3.79Å; L356-N465 VanDerWaalsContact CB-O 3.27Å; L356-N465 WeakPolarHBondContact CB-O 3.27Å; L356-N465 HydrophobicContact CD2-CB 3.8Å; L356-N465 HydrophobicContact CG-CB 4.39Å; L356-N465 PolarHBondContact N-O 3.48Å; L356-L467 HydrophobicContact CD1-CB 4.19Å
357Q94.9Very high96.2Very high112 Ų11233.1 Ų33.152%0.52317%0.165SC..G310 helixtrans-66.4-23.8-177.7-61-175.40.700112.1D355 R360D355-Q357 PolarHBondContact O-N 2.91Å; D355-Q357 WeakPolarHBondContact OD1-CB 3.49Å; D355-Q357 PolarHBondContact OD1-N 3.37Å; Q357-R360 PolarHBondContact O-NH1 3.41Å
358L95.7Very high96.4Very high92 Ų9232.9 Ų32.948%0.48216%0.163SC..G310 helixtrans-93.67.4-176.5-54.6178.4000112.9D355 L356 H456D355-L358 HydrophobicContact CB-CD1 3.9Å; D355-L358 HydrophobicContact CB-CG 4.13Å; D355-L358 PolarHBondContact O-N 3.42Å; L356-L358 PolarHBondContact O-N 2.83Å; L358-H456 WeakPolarHBondContact CD1-O 3.43Å
359I94.9Very high96.5Very high6 Ų633.3 Ų33.33%0.03117%0.165CC..  trans-117.4149.7-176.9-67.4179.5000110.8H354 L356 F361 L363 D440 I446 T457 L467H354-I359 HydrophobicContact CB-CD1 3.35Å; L356-I359 PolarHBondContact O-N 3.29Å; I359-F361 HydrophobicContact CG2-CD2 4.47Å; I359-F361 HydrophobicContact CG2-CE2 4.25Å; I359-L363 HydrophobicContact CG2-CD2 3.67Å; I359-D440 HydrophobicContact CG2-CB 4.46Å; I359-I446 HydrophobicContact CD1-CD1 3.83Å; I359-I446 HydrophobicContact CG1-CD1 4.49Å; I359-I446 HydrophobicContact CG1-CG2 4.39Å; I359-T457 HydrophobicContact CD1-CG2 4.23Å; I359-T457 HydrophobicContact CG1-CG2 3.87Å; I359-L467 HydrophobicContact CD1-CB 4.3Å; I359-L467 HydrophobicContact CD1-CD2 3.55Å
360R94.9Very high96.5Very high134 Ų13433.3 Ų33.351%0.50617%0.165SC..  trans-124.2126.4172.9-59.4-66.3178.5-98.60.5111.3Q357 D440 S441 T442Q357-R360 PolarHBondContact O-NH1 3.41Å; R360-D440 WeakPolarHBondContact O-CB 3.39Å; R360-S441 WeakPolarHBondContact CB-OG 3.41Å; R360-S441 PolarHBondContact O-N 3.25Å; R360-S441 PolarHBondContact O-OG 2.88Å; R360-T442 HydrophobicContact CB-CG2 4.1Å; R360-T442 HydrophobicContact CG-CG2 3.86Å
361F94.6Very high96.4Very high35 Ų3537.6 Ų37.615%0.15418%0.183CC..SBendtrans-86.9163.5176-78.1-90.5000111.5E295 Y296 L356 I359 L363 S441 L467 I544E295-F361 VanDerWaalsContact O-CB 3.3Å; E295-F361 WeakPolarHBondContact O-CB 3.47Å; Y296-F361 HydrophobicContact CD1-CD1 4.29Å; Y296-F361 AromaticContact CD1-CD2 3.74Å; Y296-F361 HydrophobicContact CD1-CD2 3.74Å; Y296-F361 HydrophobicContact CD1-CE1 4.31Å; Y296-F361 AromaticContact CD1-CE2 3.77Å; Y296-F361 HydrophobicContact CD1-CE2 3.77Å; Y296-F361 HydrophobicContact CD1-CG 4.01Å; Y296-F361 HydrophobicContact CD1-CZ 4.07Å; Y296-F361 AromaticContact CE1-CD2 3.89Å; Y296-F361 HydrophobicContact CE1-CD2 3.89Å; Y296-F361 AromaticContact CE1-CE2 3.86Å; Y296-F361 HydrophobicContact CE1-CE2 3.86Å; L356-F361 HydrophobicContact CD1-CE2 3.82Å; L356-F361 HydrophobicContact CD1-CZ 4.46Å; I359-F361 HydrophobicContact CG2-CD2 4.47Å; I359-F361 HydrophobicContact CG2-CE2 4.25Å; F361-L363 HydrophobicContact CD1-CD1 4.41Å; F361-L363 HydrophobicContact CD1-CG 3.84Å; F361-L363 HydrophobicContact CE1-CD1 3.81Å; F361-L363 HydrophobicContact CE1-CG 3.75Å; F361-L363 HydrophobicContact CZ-CD1 4.16Å; F361-L363 HydrophobicContact CZ-CG 4.38Å; F361-S441 WeakPolarHBondContact O-CB 3.47Å; F361-S441 PolarHBondContact O-OG 3.37Å; F361-L467 HydrophobicContact CZ-CD1 4.27Å; F361-I544 HydrophobicContact CE1-CD1 4.09Å; F361-I544 HydrophobicContact CZ-CD1 3.93Å
362P94.3Very high96.3Very high35 Ų3540.2 Ų40.223%0.22720%0.201CC..SBendcis-68.9152.8-9.130.7-35.5000111.6Q297 S441Q297-P362 HydrophobicContact CB-CB 4.46Å; P362-S441 PolarHBondContact O-N 2.97Å
363L97.2Very high96.2Very high1 Ų140.7 Ų40.71%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-88.7154.7174.1-56.7-179.1000110.1Q297 I298 N299 I359 F361 V438 V439 D440 I446 L467Q297-L363 PolarHBondContact O-N 3.22Å; I298-L363 CarbonylContact C-O 3.35Å; I298-L363 WeakPolarHBondContact CA-O 3.45Å; I298-L363 HydrophobicContact CG1-CB 4.09Å; I298-L363 HydrophobicContact CG1-CD1 4.19Å; N299-L363 WeakPolarHBondContact CB-O 3.46Å; N299-L363 PolarHBondContact N-O 3.32Å; I359-L363 HydrophobicContact CG2-CD2 3.67Å; F361-L363 HydrophobicContact CD1-CD1 4.41Å; F361-L363 HydrophobicContact CD1-CG 3.84Å; F361-L363 HydrophobicContact CE1-CD1 3.81Å; F361-L363 HydrophobicContact CE1-CG 3.75Å; F361-L363 HydrophobicContact CZ-CD1 4.16Å; F361-L363 HydrophobicContact CZ-CG 4.38Å; L363-V438 HydrophobicContact CB-CG1 4.2Å; L363-V438 HydrophobicContact CD1-CG1 4.14Å; L363-V439 CarbonylContact C-O 3.56Å; L363-V439 VanDerWaalsContact CA-O 3.3Å; L363-V439 WeakPolarHBondContact CA-O 3.44Å; L363-D440 HydrophobicContact CD2-CB 3.86Å; L363-I446 HydrophobicContact CD1-CD1 4.09Å; L363-I446 HydrophobicContact CD2-CD1 4.1Å; L363-L467 HydrophobicContact CD1-CD2 3.87Å
364A96.8Very high96.1Very high36 Ų3646 Ų4630%0.29823%0.23SC..EExtended strand (participates in β ladder)trans-115.8125.7170.800000110.3N299 V438 V439N299-A364 CarbonylContact O-C 3.33Å; N299-A364 WeakPolarHBondContact O-CA 3.41Å; A364-V438 WeakPolarHBondContact O-CA 3.47Å; A364-V439 HydrophobicContact CB-CB 4.49Å; A364-V439 PolarHBondContact N-O 2.96Å; A364-V439 PolarHBondContact O-N 3.43Å
365Y97.7Very high96Very high0 Ų046.2 Ų46.20%023%0.231CC..EExtended strand (participates in β ladder)trans-107.5109.5172.3-176.4-132.5000110N299 Q300 T301 V304 R309 I312 P436 I437 V438 P449N299-Y365 PolarHBondContact O-N 3.23Å; Q300-Y365 WeakPolarHBondContact CA-O 3.47Å; Q300-Y365 HydrophobicContact CG-CD1 4.11Å; T301-Y365 PolarHBondContact N-O 3.08Å; T301-Y365 VanDerWaalsContact N-O 3.09Å; T301-Y365 PolarHBondContact OG1-O 2.98Å; V304-Y365 HydrophobicContact CB-CD1 4.26Å; V304-Y365 HydrophobicContact CB-CE1 3.95Å; V304-Y365 HydrophobicContact CG1-CD1 4.25Å; V304-Y365 HydrophobicContact CG1-CE1 4.09Å; V304-Y365 HydrophobicContact CG1-CE2 4.41Å; V304-Y365 HydrophobicContact CG1-CG 4.48Å; V304-Y365 HydrophobicContact CG2-CD1 3.77Å; V304-Y365 HydrophobicContact CG2-CE1 3.88Å; R309-Y365 WeakPolarHBondContact CB-OH 3.27Å; R309-Y365 PolarHBondContact O-OH 2.86Å; I312-Y365 HydrophobicContact CB-CD1 3.85Å; I312-Y365 HydrophobicContact CB-CE1 3.8Å; I312-Y365 HydrophobicContact CD1-CD1 4.07Å; I312-Y365 HydrophobicContact CD1-CD2 4.01Å; I312-Y365 HydrophobicContact CD1-CE1 4.35Å; I312-Y365 HydrophobicContact CD1-CE2 4.28Å; I312-Y365 HydrophobicContact CD1-CG 3.89Å; I312-Y365 HydrophobicContact CG2-CD1 3.49Å; I312-Y365 VanDerWaalsContact CG2-CD1 3.49Å; I312-Y365 HydrophobicContact CG2-CE1 3.92Å; I312-Y365 HydrophobicContact CG2-CG 4.2Å; Y365-P436 HydrophobicContact CE2-CB 3.96Å; Y365-I437 WeakPolarHBondContact CD2-O 3.25Å; Y365-V438 HydrophobicContact CD2-CG2 3.66Å; Y365-V438 HydrophobicContact CE2-CG2 4.18Å; Y365-P449 HydrophobicContact CE2-CG 4.21Å
366T96.7Very high95.9Very high22 Ų2247.1 Ų47.114%0.13524%0.235CC..EExtended strand (participates in β ladder)trans-146.1164.9-170.3-167.70000112.4T301 K368 P436 I437T301-T366 WeakPolarHBondContact OG1-CA 3.49Å; T301-T366 WeakPolarHBondContact OG1-CB 3.28Å; T301-T366 PolarHBondContact OG1-OG1 3.39Å; T366-K368 HydrophobicContact CG2-CG 4.16Å; T366-P436 WeakPolarHBondContact O-CA 3.37Å; T366-I437 HydrophobicContact CG2-CD1 4.21Å; T366-I437 HydrophobicContact CG2-CG1 3.85Å; T366-I437 PolarHBondContact N-O 2.94Å; T366-I437 VanDerWaalsContact N-O 3.1Å; T366-I437 PolarHBondContact O-N 3.13Å
367L96.1Very high95.8Very high24 Ų2446.5 Ų46.513%0.12623%0.232CC..EExtended strand (participates in β ladder)trans-101.2125.7175.2-160.275.2000109.4S303 V304 M434 P436S303-L367 WeakPolarHBondContact OG-CB 3.07Å; S303-L367 PolarHBondContact OG-N 3.21Å; V304-L367 HydrophobicContact CG1-CB 4.12Å; L367-M434 HydrophobicContact CB-CE 4.2Å; L367-M434 HydrophobicContact CD1-CB 4.35Å; L367-M434 HydrophobicContact CD2-CB 3.71Å; L367-M434 HydrophobicContact CD2-CE 3.79Å; L367-M434 HydrophobicContact CD2-CG 4.32Å; L367-M434 HydrophobicContact CG-CB 3.85Å; L367-M434 HydrophobicContact CG-CE 3.83Å; L367-P436 HydrophobicContact CD1-CB 4.33Å; L367-P436 HydrophobicContact CD1-CG 3.76Å
368K95.9Very high95.5Very high83 Ų8343.7 Ų43.736%0.36122%0.22SC..EExtended strand (participates in β ladder)trans-131.6150179.9-77.4-154.1-174.3179.60112.5T366 F373 V435 I437T366-K368 HydrophobicContact CG2-CG 4.16Å; K368-F373 HydrophobicContact CB-CD1 4.17Å; K368-V435 PolarHBondContact N-O 3.45Å; K368-V435 PolarHBondContact O-N 3.37Å; K368-I437 HydrophobicContact CB-CD1 3.94Å; K368-I437 HydrophobicContact CB-CG1 4.43Å; K368-I437 HydrophobicContact CD-CD1 3.5Å; K368-I437 HydrophobicContact CG-CD1 3.64Å; K368-I437 HydrophobicContact CG-CG1 4.27Å
369E96.6Very high95Very high73 Ų7344.9 Ų44.934%0.34123%0.227SC..EExtended strand (participates in β ladder)trans-62.7138.7170.1-64.9176.6165.300110.2K371 S372 F373 V433 M434E369-K371 HydrophobicContact CB-CG 4.3Å; E369-K371 PolarHBondContact O-N 3.15Å; E369-K371 VanDerWaalsContact O-N 3.13Å; E369-K371 WeakPolarHBondContact OE2-CE 3.45Å; E369-K371 IonicContact OE2-NZ 2.8Å; E369-K371 PolarHBondContact OE2-NZ 3.4Å; E369-S372 WeakPolarHBondContact O-CB 3.37Å; E369-S372 PolarHBondContact O-N 3.1Å; E369-S372 PolarHBondContact O-OG 3.44Å; E369-F373 WeakPolarHBondContact O-CD1 3.36Å; E369-V433 CarbonylContact C-O 3.52Å; E369-V433 WeakPolarHBondContact CA-O 3.11Å; E369-M434 HydrophobicContact CB-SD 4.33Å; E369-M434 HydrophobicContact CG-SD 3.52Å; E369-M434 VanDerWaalsContact CG-SD 3.52Å
370A96.5Very high94.7Very high0 Ų046.9 Ų46.90%023%0.234CC..G310 helixtrans-57.8-30.6-175.700000113.8S372 G386 E387 F430 S431 V433 V435A370-S372 VanDerWaalsContact C-N 3.27Å; A370-S372 PolarHBondContact O-N 2.97Å; A370-G386 CarbonylContact O-C 3.56Å; A370-G386 WeakPolarHBondContact O-CA 3.48Å; A370-G386 PolarHBondContact O-N 3.25Å; A370-G386 VanDerWaalsContact O-N 3.14Å; A370-E387 HydrophobicContact CB-CB 4.26Å; A370-E387 PolarHBondContact O-N 2.97Å; A370-F430 VanDerWaalsContact CB-O 3.31Å; A370-F430 WeakPolarHBondContact CB-O 3.39Å; A370-S431 PolarHBondContact N-O 3.5Å; A370-V433 HydrophobicContact CB-CB 4.47Å; A370-V433 PolarHBondContact N-O 3.1Å; A370-V435 HydrophobicContact CB-CG2 4.34Å
371K96.2Very high94Very high98 Ų9846 Ų4643%0.42625%0.249SC..G310 helixtrans-70-20.8175.368.4-176.2171-149.80114.1E369 S431 D432E369-K371 HydrophobicContact CB-CG 4.3Å; E369-K371 PolarHBondContact O-N 3.15Å; E369-K371 VanDerWaalsContact O-N 3.13Å; E369-K371 WeakPolarHBondContact OE2-CE 3.45Å; E369-K371 IonicContact OE2-NZ 2.8Å; E369-K371 PolarHBondContact OE2-NZ 3.4Å; K371-S431 WeakPolarHBondContact CG-O 3.39Å; K371-S431 PolarHBondContact N-O 3.28Å; K371-S431 VanDerWaalsContact N-O 3.13Å; K371-D432 IonicContact NZ-OD1 3.24Å; K371-D432 PolarHBondContact NZ-OD1 3.03Å
372S95.8Very high93.4Very high58 Ų5850.3 Ų50.341%0.40627%0.272SS..G310 helixtrans-91.40.5-165.473.40000114.9E369 A370E369-S372 WeakPolarHBondContact O-CB 3.37Å; E369-S372 PolarHBondContact O-N 3.1Å; E369-S372 PolarHBondContact O-OG 3.44Å; A370-S372 VanDerWaalsContact C-N 3.27Å; A370-S372 PolarHBondContact O-N 2.97Å
373F95.5Very high93.1Very high12 Ų1253 Ų535%0.05328%0.284CS..  trans-138.3154.1179.570.2-93.8000112.4K368 E369 I375 T385 G386 V435 I437 V445 V448K368-F373 HydrophobicContact CB-CD1 4.17Å; E369-F373 WeakPolarHBondContact O-CD1 3.36Å; F373-I375 HydrophobicContact CD2-CB 4.4Å; F373-I375 HydrophobicContact CE2-CB 4.27Å; F373-I375 HydrophobicContact CE2-CG2 4.18Å; F373-T385 CarbonylContact O-C 3.46Å; F373-T385 WeakPolarHBondContact O-CA 3.25Å; F373-G386 VanDerWaalsContact CE2-CA 3.49Å; F373-G386 PolarHBondContact O-N 3.09Å; F373-V435 HydrophobicContact CE1-CB 4.22Å; F373-V435 HydrophobicContact CZ-CB 4.36Å; F373-I437 HydrophobicContact CB-CD1 4.49Å; F373-I437 HydrophobicContact CD1-CG2 4.21Å; F373-I437 HydrophobicContact CD2-CG2 4.42Å; F373-I437 HydrophobicContact CE1-CG2 3.97Å; F373-I437 HydrophobicContact CE2-CG2 4.23Å; F373-I437 HydrophobicContact CG-CG2 4.41Å; F373-I437 HydrophobicContact CZ-CG2 3.99Å; F373-V445 HydrophobicContact CB-CG2 4.08Å; F373-V445 HydrophobicContact CD2-CG2 4.19Å; F373-V445 HydrophobicContact CG-CG2 4.48Å; F373-V448 HydrophobicContact CE2-CG1 4.38Å; F373-V448 HydrophobicContact CE2-CG2 3.99Å; F373-V448 HydrophobicContact CZ-CG1 4.12Å
374L96.2Very high92.9Very high120 Ų12053.9 Ų53.963%0.62829%0.294SS*.EExtended strand (participates in β ladder)trans-103144.8171.9-63.2176000109.4G384 T385 V445L374-G384 WeakPolarHBondContact CA-O 3.47Å; L374-T385 HydrophobicContact CD2-CG2 3.94Å; L374-V445 WeakPolarHBondContact O-CG2 3.22Å
375I95.4Very high92.9Very high4 Ų454.6 Ų54.62%0.02130%0.295CS..EExtended strand (participates in β ladder)trans-139.3142.8174.8-175.761.1000109.5F373 P377 G384 F389 V445 V448 T452F373-I375 HydrophobicContact CD2-CB 4.4Å; F373-I375 HydrophobicContact CE2-CB 4.27Å; F373-I375 HydrophobicContact CE2-CG2 4.18Å; I375-P377 HydrophobicContact CG1-CG 4.38Å; I375-P377 HydrophobicContact CG2-CG 4.12Å; I375-P377 WeakPolarHBondContact O-CD 3.39Å; I375-G384 PolarHBondContact N-O 3.26Å; I375-G384 PolarHBondContact O-N 2.88Å; I375-G384 VanDerWaalsContact O-N 3.13Å; I375-F389 HydrophobicContact CG2-CB 4.13Å; I375-F389 HydrophobicContact CG2-CD1 4.22Å; I375-F389 HydrophobicContact CG2-CG 4.32Å; I375-V445 HydrophobicContact CD1-CB 4.18Å; I375-V445 HydrophobicContact CD1-CG1 3.95Å; I375-V448 HydrophobicContact CB-CG2 4.45Å; I375-V448 HydrophobicContact CD1-CG2 3.94Å; I375-V448 HydrophobicContact CG1-CG2 3.95Å; I375-T452 HydrophobicContact CG1-CG2 4.45Å
376H95Very high92.8Very high28 Ų2854.7 Ų54.713%0.1330%0.296CS..  trans-99.991.2162.3-166.3177.4000108.3L378 R380 N383 S454 H455 H456H376-L378 PolarHBondContact O-N 2.53Å; H376-R380 PolarHBondContact CD2-O 2.81Å; H376-R380 PolarHBondContact NE2-O 2.53Å; H376-N383 WeakPolarHBondContact CA-OD1 3.46Å; H376-N383 WeakPolarHBondContact CB-OD1 3.33Å; H376-N383 PolarHBondContact CD2-OD1 3.04Å; H376-N383 VanDerWaalsContact CD2-OD1 3.28Å; H376-N383 PolarHBondContact ND1-OD1 2.78Å; H376-S454 CarbonylContact O-C 3.07Å; H376-S454 VanDerWaalsContact O-CA 3.31Å; H376-S454 WeakPolarHBondContact O-CA 3.46Å; H376-H455 HydrophobicContact CB-CB 4.22Å; H376-H455 AromaticContact CE1-CD2 3.51Å; H376-H455 AromaticContact CE1-CG 3.76Å; H376-H455 AromaticContact ND1-CD2 3.83Å; H376-H455 AromaticContact ND1-CG 3.98Å; H376-H455 PolarHBondContact O-N 3.34Å; H376-H456 AromaticContact ND1-CD2 3.52Å; H376-H456 AromaticContact ND1-NE2 3.47Å; H376-H456 PolarHBondContact ND1-NE2 3.3Å
377P94.2Very high92.7Very high4 Ų455.2 Ų55.23%0.02630%0.297CS..BIsolated β-bridgetrans-63.1139.1-174.1-22.735.1000111.4I375 N379 R380 F389 T452I375-P377 HydrophobicContact CG1-CG 4.38Å; I375-P377 HydrophobicContact CG2-CG 4.12Å; I375-P377 WeakPolarHBondContact O-CD 3.39Å; P377-N379 PolarHBondContact O-N 3.22Å; P377-R380 HydrophobicContact CB-CB 4.15Å; P377-R380 HydrophobicContact CB-CG 4.01Å; P377-R380 PolarHBondContact O-N 3.05Å; P377-F389 HydrophobicContact CB-CD2 3.84Å; P377-F389 HydrophobicContact CB-CE2 3.48Å; P377-F389 VanDerWaalsContact CB-CE2 3.48Å; P377-F389 HydrophobicContact CB-CZ 3.86Å; P377-F389 HydrophobicContact CG-CB 4.33Å; P377-F389 HydrophobicContact CG-CD1 4.28Å; P377-F389 HydrophobicContact CG-CD2 3.32Å; P377-F389 HydrophobicContact CG-CE1 4.45Å; P377-F389 HydrophobicContact CG-CE2 3.54Å; P377-F389 HydrophobicContact CG-CG 3.72Å; P377-F389 HydrophobicContact CG-CZ 4.1Å; P377-T452 HydrophobicContact CB-CG2 4.05Å
378L90.3Very high92.6Very high53 Ų5356.3 Ų56.328%0.27731%0.31SS..THydrogen-bonded Turntrans-51135.2173.8-166.968.4000111.1H376 R380 N453 R458H376-L378 PolarHBondContact O-N 2.53Å; L378-R380 PolarHBondContact O-N 3.25Å; L378-N453 WeakPolarHBondContact CB-O 3.39Å; L378-N453 PolarHBondContact N-O 2.86Å; L378-R458 HydrophobicContact CD1-CB 3.81Å; L378-R458 HydrophobicContact CD1-CG 3.74Å
379N84.8Confident92.6Very high116 Ų11652.9 Ų52.962%0.6230%0.295SS*.THydrogen-bonded Turntrans62.319.3-177.3-53.4-36000115.7P377P377-N379 PolarHBondContact O-N 3.22Å
380R87.9Confident92.5Very high48 Ų4849.5 Ų49.518%0.18128%0.279CS..  trans-114.4148.7170-60.3-164.9177.9-165.1-6.8111H376 P377 L378 Q392 E396H376-R380 PolarHBondContact CD2-O 2.81Å; H376-R380 PolarHBondContact NE2-O 2.53Å; P377-R380 HydrophobicContact CB-CB 4.15Å; P377-R380 HydrophobicContact CB-CG 4.01Å; P377-R380 PolarHBondContact O-N 3.05Å; L378-R380 PolarHBondContact O-N 3.25Å; R380-Q392 VanDerWaalsContact NH1-NE2 3.17Å; R380-E396 IonicContact CZ-OE1 2.95Å; R380-E396 IonicContact NH1-OE1 2.58Å; R380-E396 IonicContact NH2-OE1 3.89Å; R380-E396 PolarHBondContact NH2-OE1 3.42Å; R380-E396 IonicContact NH2-OE2 2.96Å; R380-E396 PolarHBondContact NH2-OE2 3.13Å
381S79.4Confident92.4Very high116 Ų11652.8 Ų52.881%0.81129%0.291SS*.SBendtrans-84-16.6-175.548.60000114.3
382I83.5Confident92.2Very high125 Ų12552.3 Ų52.364%0.64129%0.29SS*.  trans-121.8134.8-167.4-63.1168.3000110.7
383N88.4Confident92.1Very high91 Ų9150 Ų5049%0.48727%0.273SS..  trans-74.7134164.2-77.96.3000110.1H376H376-N383 WeakPolarHBondContact CA-OD1 3.46Å; H376-N383 WeakPolarHBondContact CB-OD1 3.33Å; H376-N383 PolarHBondContact CD2-OD1 3.04Å; H376-N383 VanDerWaalsContact CD2-OD1 3.28Å; H376-N383 PolarHBondContact ND1-OD1 2.78Å
384G92.8Very high92Very high21 Ų2149.5 Ų49.522%0.21627%0.271CS..EExtended strand (participates in β ladder)trans-148.2171.917900000112L374 I375L374-G384 WeakPolarHBondContact CA-O 3.47Å; I375-G384 PolarHBondContact N-O 3.26Å; I375-G384 PolarHBondContact O-N 2.88Å; I375-G384 VanDerWaalsContact O-N 3.13Å
385T95.8Very high91.9Very high51 Ų5148.1 Ų48.131%0.31326%0.262SS..EExtended strand (participates in β ladder)trans-65.5153.3169.559.70000110.2F373 L374 E387 A388 F389F373-T385 CarbonylContact O-C 3.46Å; F373-T385 WeakPolarHBondContact O-CA 3.25Å; L374-T385 HydrophobicContact CD2-CG2 3.94Å; T385-E387 PolarHBondContact O-N 2.89Å; T385-A388 PolarHBondContact O-N 2.78Å; T385-A388 VanDerWaalsContact O-N 3.12Å; T385-A388 WeakPolarHBondContact OG1-CB 3.43Å; T385-A388 PolarHBondContact OG1-N 2.92Å; T385-A388 VanDerWaalsContact OG1-N 3.13Å; T385-F389 PolarHBondContact O-N 2.91Å
386G94.9Very high91.9Very high2 Ų250.6 Ų50.62%0.02127%0.273CS..Hα-helixtrans-53-36.5170.400000112.1A370 F373 F389 L390A370-G386 CarbonylContact O-C 3.56Å; A370-G386 WeakPolarHBondContact O-CA 3.48Å; A370-G386 PolarHBondContact O-N 3.25Å; A370-G386 VanDerWaalsContact O-N 3.14Å; F373-G386 VanDerWaalsContact CE2-CA 3.49Å; F373-G386 PolarHBondContact O-N 3.09Å; G386-F389 PolarHBondContact O-N 2.95Å; G386-L390 VanDerWaalsContact O-CB 3.31Å; G386-L390 WeakPolarHBondContact O-CB 3.38Å; G386-L390 PolarHBondContact O-N 2.78Å
387E95.5Very high91.8Very high33 Ų3349.3 Ų49.315%0.15427%0.267CS..Hα-helixtrans-60.3-51.7174.7-170.9-165.5151.900112A370 T385 F389 L390 R391 F430 S431A370-E387 HydrophobicContact CB-CB 4.26Å; A370-E387 PolarHBondContact O-N 2.97Å; T385-E387 PolarHBondContact O-N 2.89Å; E387-F389 VanDerWaalsContact C-N 3.27Å; E387-F389 PolarHBondContact O-N 3.24Å; E387-L390 PolarHBondContact O-N 2.85Å; E387-R391 VanDerWaalsContact O-CB 3.31Å; E387-R391 WeakPolarHBondContact O-CB 3.41Å; E387-R391 PolarHBondContact O-N 3.05Å; E387-R391 IonicContact OE1-CZ 3.22Å; E387-R391 IonicContact OE1-NH2 3.84Å; E387-R391 PolarHBondContact OE1-NH2 2.92Å; E387-F430 HydrophobicContact CG-CB 3.74Å; E387-S431 PolarHBondContact OE1-OG 2.87Å; E387-S431 WeakPolarHBondContact OE2-CB 3.22Å; E387-S431 PolarHBondContact OE2-OG 3.42Å
388A94.6Very high91.7Very high47 Ų4751.8 Ų51.839%0.38828%0.279SS..Hα-helixtrans-60.9-41.2-179.700000111T385 Q392T385-A388 PolarHBondContact O-N 2.78Å; T385-A388 VanDerWaalsContact O-N 3.12Å; T385-A388 WeakPolarHBondContact OG1-CB 3.43Å; T385-A388 PolarHBondContact OG1-N 2.92Å; T385-A388 VanDerWaalsContact OG1-N 3.13Å; A388-Q392 PolarHBondContact O-N 2.98Å; A388-Q392 VanDerWaalsContact O-N 3.08Å
389F94.6Very high91.9Very high11 Ų1154.8 Ų54.85%0.04829%0.294CS..Hα-helixtrans-63.7-48.1176.4175.7-125.2000112.5I375 P377 T385 G386 E387 R391 Q392 L393 L451 T452I375-F389 HydrophobicContact CG2-CB 4.13Å; I375-F389 HydrophobicContact CG2-CD1 4.22Å; I375-F389 HydrophobicContact CG2-CG 4.32Å; P377-F389 HydrophobicContact CB-CD2 3.84Å; P377-F389 HydrophobicContact CB-CE2 3.48Å; P377-F389 VanDerWaalsContact CB-CE2 3.48Å; P377-F389 HydrophobicContact CB-CZ 3.86Å; P377-F389 HydrophobicContact CG-CB 4.33Å; P377-F389 HydrophobicContact CG-CD1 4.28Å; P377-F389 HydrophobicContact CG-CD2 3.32Å; P377-F389 HydrophobicContact CG-CE1 4.45Å; P377-F389 HydrophobicContact CG-CE2 3.54Å; P377-F389 HydrophobicContact CG-CG 3.72Å; P377-F389 HydrophobicContact CG-CZ 4.1Å; T385-F389 PolarHBondContact O-N 2.91Å; G386-F389 PolarHBondContact O-N 2.95Å; E387-F389 VanDerWaalsContact C-N 3.27Å; E387-F389 PolarHBondContact O-N 3.24Å; F389-R391 PolarHBondContact O-N 2.79Å; F389-Q392 PolarHBondContact O-N 3.09Å; F389-L393 HydrophobicContact CD1-CD1 4.16Å; F389-L393 HydrophobicContact CD2-CD1 4.34Å; F389-L393 HydrophobicContact CD2-CG 4.27Å; F389-L393 HydrophobicContact CE1-CD1 3.56Å; F389-L393 HydrophobicContact CE1-CG 4.45Å; F389-L393 HydrophobicContact CE2-CD1 3.76Å; F389-L393 HydrophobicContact CE2-CD2 4.2Å; F389-L393 HydrophobicContact CE2-CG 3.77Å; F389-L393 HydrophobicContact CZ-CD1 3.33Å; F389-L393 HydrophobicContact CZ-CD2 4.3Å; F389-L393 HydrophobicContact CZ-CG 3.89Å; F389-L393 PolarHBondContact O-N 2.94Å; F389-L451 HydrophobicContact CD1-CD1 4.38Å; F389-L451 HydrophobicContact CE1-CB 3.89Å; F389-L451 HydrophobicContact CE1-CD1 4.12Å; F389-T452 HydrophobicContact CD1-CG2 4.48Å; F389-T452 HydrophobicContact CE1-CG2 3.46Å; F389-T452 VanDerWaalsContact CE1-CG2 3.46Å; F389-T452 HydrophobicContact CZ-CG2 3.48Å; F389-T452 VanDerWaalsContact CZ-CG2 3.48Å
390L94.3Very high92.3Very high1 Ų150.7 Ų50.71%0.00527%0.272CS..Hα-helixtrans-63.1-42.9179.4-175.159.9000111.4G386 E387 Q392 L393 V394 L416 L419 I421 F430 V433 L451G386-L390 VanDerWaalsContact O-CB 3.31Å; G386-L390 WeakPolarHBondContact O-CB 3.38Å; G386-L390 PolarHBondContact O-N 2.78Å; E387-L390 PolarHBondContact O-N 2.85Å; L390-Q392 VanDerWaalsContact C-N 3.33Å; L390-Q392 PolarHBondContact O-N 3.29Å; L390-L393 PolarHBondContact O-N 3.09Å; L390-V394 HydrophobicContact CD1-CG2 4.42Å; L390-V394 WeakPolarHBondContact O-CG2 3.09Å; L390-V394 PolarHBondContact O-N 3.45Å; L390-L416 HydrophobicContact CD1-CD2 4.39Å; L390-L419 HydrophobicContact CD1-CD1 4.49Å; L390-I421 HydrophobicContact CD2-CG2 4.34Å; L390-F430 HydrophobicContact CD2-CB 4.21Å; L390-F430 HydrophobicContact CD2-CD1 3.79Å; L390-F430 HydrophobicContact CD2-CG 4.38Å; L390-F430 HydrophobicContact CG-CD1 3.86Å; L390-F430 HydrophobicContact CG-CG 4.41Å; L390-V433 HydrophobicContact CD2-CB 3.9Å; L390-V433 HydrophobicContact CD2-CG1 3.78Å; L390-V433 HydrophobicContact CD2-CG2 4.08Å; L390-L451 HydrophobicContact CD1-CD1 4.17Å
391R94.6Very high92.6Very high70 Ų7052 Ų5226%0.26428%0.277SS..Hα-helixtrans-56.5-46.4174.7-173.8-174.2-64.3-104.34.5111.3E387 F389 V394 Q395 N428 F430E387-R391 VanDerWaalsContact O-CB 3.31Å; E387-R391 WeakPolarHBondContact O-CB 3.41Å; E387-R391 PolarHBondContact O-N 3.05Å; E387-R391 IonicContact OE1-CZ 3.22Å; E387-R391 IonicContact OE1-NH2 3.84Å; E387-R391 PolarHBondContact OE1-NH2 2.92Å; F389-R391 PolarHBondContact O-N 2.79Å; R391-V394 PolarHBondContact O-N 3.1Å; R391-Q395 VanDerWaalsContact O-CG 3.3Å; R391-Q395 WeakPolarHBondContact O-CG 3.49Å; R391-Q395 PolarHBondContact O-N 3.16Å; R391-N428 PolarHBondContact NH1-ND2 3.27Å; R391-N428 PolarHBondContact NH1-O 3.06Å; R391-N428 PolarHBondContact NH2-O 3.42Å; R391-F430 HydrophobicContact CB-CD2 3.84Å; R391-F430 HydrophobicContact CB-CE2 4.15Å; R391-F430 HydrophobicContact CG-CD2 4.07Å; R391-F430 HydrophobicContact CG-CE2 4.06Å
392Q93.3Very high93.2Very high87 Ų8752.9 Ų52.941%0.40727%0.266SS..Hα-helixtrans-64.8-44.8178.4-169.4-172.1-14.800112R380 A388 F389 L390 V394 Q395 E396R380-Q392 VanDerWaalsContact NH1-NE2 3.17Å; A388-Q392 PolarHBondContact O-N 2.98Å; A388-Q392 VanDerWaalsContact O-N 3.08Å; F389-Q392 PolarHBondContact O-N 3.09Å; L390-Q392 VanDerWaalsContact C-N 3.33Å; L390-Q392 PolarHBondContact O-N 3.29Å; Q392-V394 VanDerWaalsContact C-N 3.32Å; Q392-V394 PolarHBondContact O-N 3.04Å; Q392-Q395 WeakPolarHBondContact O-CB 3.35Å; Q392-Q395 PolarHBondContact O-N 3.14Å; Q392-E396 WeakPolarHBondContact CG-OE1 3.27Å; Q392-E396 PolarHBondContact NE2-OE1 3.48Å; Q392-E396 VanDerWaalsContact NE2-OE1 3.07Å; Q392-E396 WeakPolarHBondContact O-CG 3.45Å; Q392-E396 PolarHBondContact O-N 3.46Å
393L93.4Very high93.8Very high9 Ų951.1 Ų51.15%0.04727%0.266CS..Hα-helixtrans-59.7-42177-80.7176.5000112.5F389 L390 E396 A397 L416 L451F389-L393 HydrophobicContact CD1-CD1 4.16Å; F389-L393 HydrophobicContact CD2-CD1 4.34Å; F389-L393 HydrophobicContact CD2-CG 4.27Å; F389-L393 HydrophobicContact CE1-CD1 3.56Å; F389-L393 HydrophobicContact CE1-CG 4.45Å; F389-L393 HydrophobicContact CE2-CD1 3.76Å; F389-L393 HydrophobicContact CE2-CD2 4.2Å; F389-L393 HydrophobicContact CE2-CG 3.77Å; F389-L393 HydrophobicContact CZ-CD1 3.33Å; F389-L393 HydrophobicContact CZ-CD2 4.3Å; F389-L393 HydrophobicContact CZ-CG 3.89Å; F389-L393 PolarHBondContact O-N 2.94Å; L390-L393 PolarHBondContact O-N 3.09Å; L393-E396 PolarHBondContact O-N 3.14Å; L393-A397 WeakPolarHBondContact O-CB 3.09Å; L393-A397 PolarHBondContact O-N 2.76Å; L393-L416 HydrophobicContact CB-CD2 4.45Å; L393-L416 HydrophobicContact CD1-CD2 4.41Å; L393-L451 HydrophobicContact CD1-CB 4.33Å; L393-L451 HydrophobicContact CD1-CD1 4.43Å; L393-L451 HydrophobicContact CD1-CD2 4.29Å
394V94.2Very high94Very high2 Ų253.6 Ų53.61%0.01227%0.268CS..Hα-helixtrans-66.5-39.4177.8170.90000111.1L390 R391 Q392 A397 Q398 L416 I421 M425 F430L390-V394 HydrophobicContact CD1-CG2 4.42Å; L390-V394 WeakPolarHBondContact O-CG2 3.09Å; L390-V394 PolarHBondContact O-N 3.45Å; R391-V394 PolarHBondContact O-N 3.1Å; Q392-V394 VanDerWaalsContact C-N 3.32Å; Q392-V394 PolarHBondContact O-N 3.04Å; V394-A397 PolarHBondContact O-N 3.04Å; V394-Q398 HydrophobicContact CG1-CG 4.33Å; V394-Q398 WeakPolarHBondContact O-CB 3.42Å; V394-Q398 VanDerWaalsContact O-CG 3.25Å; V394-Q398 WeakPolarHBondContact O-CG 3.22Å; V394-Q398 PolarHBondContact O-N 3.16Å; V394-L416 HydrophobicContact CG2-CD1 4.38Å; V394-I421 HydrophobicContact CG2-CD1 3.63Å; V394-M425 HydrophobicContact CG1-CE 4.48Å; V394-M425 HydrophobicContact CG1-CG 3.88Å; V394-M425 HydrophobicContact CG1-SD 4.4Å; V394-F430 HydrophobicContact CB-CE1 4.31Å; V394-F430 HydrophobicContact CB-CZ 4.05Å; V394-F430 HydrophobicContact CG1-CE1 4.38Å; V394-F430 HydrophobicContact CG1-CZ 3.92Å; V394-F430 HydrophobicContact CG2-CE1 3.81Å; V394-F430 HydrophobicContact CG2-CZ 4.08Å
395Q93.6Very high93.8Very high92 Ų9261.9 Ų61.943%0.4330%0.298SS..Hα-helixtrans-61-45.3174.4-73.3172.21.100111.6R391 Q392 A397 Q398 L399R391-Q395 VanDerWaalsContact O-CG 3.3Å; R391-Q395 WeakPolarHBondContact O-CG 3.49Å; R391-Q395 PolarHBondContact O-N 3.16Å; Q392-Q395 WeakPolarHBondContact O-CB 3.35Å; Q392-Q395 PolarHBondContact O-N 3.14Å; Q395-A397 PolarHBondContact O-N 3.36Å; Q395-Q398 PolarHBondContact O-N 3.19Å; Q395-L399 VanDerWaalsContact O-CG 3.32Å; Q395-L399 WeakPolarHBondContact O-CG 3.05Å; Q395-L399 PolarHBondContact O-N 2.92Å
396E94Very high93.4Very high56 Ų5663.4 Ų63.426%0.26230%0.301SS..Hα-helixtrans-58.9-46.6174.7-70.5166.4-155.100111.6R380 Q392 L393 Q398 L399 D400 Y413R380-E396 IonicContact CZ-OE1 2.95Å; R380-E396 IonicContact NH1-OE1 2.58Å; R380-E396 IonicContact NH2-OE1 3.89Å; R380-E396 PolarHBondContact NH2-OE1 3.42Å; R380-E396 IonicContact NH2-OE2 2.96Å; R380-E396 PolarHBondContact NH2-OE2 3.13Å; Q392-E396 WeakPolarHBondContact CG-OE1 3.27Å; Q392-E396 PolarHBondContact NE2-OE1 3.48Å; Q392-E396 VanDerWaalsContact NE2-OE1 3.07Å; Q392-E396 WeakPolarHBondContact O-CG 3.45Å; Q392-E396 PolarHBondContact O-N 3.46Å; L393-E396 PolarHBondContact O-N 3.14Å; E396-Q398 VanDerWaalsContact C-N 3.33Å; E396-Q398 PolarHBondContact O-N 3.31Å; E396-L399 PolarHBondContact O-N 2.92Å; E396-D400 PolarHBondContact O-N 3.01Å; E396-Y413 HydrophobicContact CB-CE1 4.44Å
397A93.5Very high92.9Very high0 Ų069.5 Ų69.50%034%0.338CS..Hα-helixtrans-62.1-38.617700000112.7L393 V394 Q395 R401 F409 Y413 L416L393-A397 WeakPolarHBondContact O-CB 3.09Å; L393-A397 PolarHBondContact O-N 2.76Å; V394-A397 PolarHBondContact O-N 3.04Å; Q395-A397 PolarHBondContact O-N 3.36Å; A397-R401 VanDerWaalsContact O-CB 3.29Å; A397-R401 WeakPolarHBondContact O-CB 3.43Å; A397-R401 PolarHBondContact O-N 3.19Å; A397-F409 HydrophobicContact CB-CD1 3.95Å; A397-F409 HydrophobicContact CB-CE1 3.75Å; A397-F409 HydrophobicContact CB-CE2 4.4Å; A397-F409 HydrophobicContact CB-CG 4.37Å; A397-F409 HydrophobicContact CB-CZ 3.97Å; A397-Y413 HydrophobicContact CB-CD1 3.61Å; A397-Y413 HydrophobicContact CB-CD2 4.09Å; A397-Y413 HydrophobicContact CB-CE1 4.21Å; A397-Y413 HydrophobicContact CB-CG 3.54Å; A397-L416 HydrophobicContact CB-CD1 3.8Å
398Q92.9Very high92.5Very high57 Ų5776.7 Ų76.727%0.26636%0.364SS..Hα-helixtrans-68.1-38.9175.7-74.4178.43.300112V394 Q395 E396 R401 K402 F409V394-Q398 HydrophobicContact CG1-CG 4.33Å; V394-Q398 WeakPolarHBondContact O-CB 3.42Å; V394-Q398 VanDerWaalsContact O-CG 3.25Å; V394-Q398 WeakPolarHBondContact O-CG 3.22Å; V394-Q398 PolarHBondContact O-N 3.16Å; Q395-Q398 PolarHBondContact O-N 3.19Å; E396-Q398 VanDerWaalsContact C-N 3.33Å; E396-Q398 PolarHBondContact O-N 3.31Å; Q398-R401 PolarHBondContact O-N 2.95Å; Q398-K402 WeakPolarHBondContact O-CB 3.24Å; Q398-K402 VanDerWaalsContact O-CG 3.28Å; Q398-K402 WeakPolarHBondContact O-CG 3.31Å; Q398-K402 PolarHBondContact O-N 3.11Å; Q398-F409 HydrophobicContact CG-CE1 4.08Å; Q398-F409 HydrophobicContact CG-CZ 4.48Å
399L94.2Very high92.2Very high115 Ų11575.1 Ų75.160%0.60235%0.349SS*.Hα-helixtrans-65.5-45.8175.7-71.4171.8000111.4Q395 E396 R401 K402 S403Q395-L399 VanDerWaalsContact O-CG 3.32Å; Q395-L399 WeakPolarHBondContact O-CG 3.05Å; Q395-L399 PolarHBondContact O-N 2.92Å; E396-L399 PolarHBondContact O-N 2.92Å; L399-R401 PolarHBondContact O-N 3.22Å; L399-K402 PolarHBondContact O-N 2.92Å; L399-S403 WeakPolarHBondContact O-CB 3.43Å; L399-S403 PolarHBondContact O-N 2.85Å; L399-S403 PolarHBondContact O-OG 3.44Å
400D93.6Very high91.8Very high30 Ų3075 Ų7516%0.1635%0.349CS..Hα-helixtrans-61.2-42.7174.6177.872.5000111.8E396 K402 S403 R404 S410 Y413E396-D400 PolarHBondContact O-N 3.01Å; D400-K402 PolarHBondContact O-N 2.94Å; D400-S403 PolarHBondContact O-N 2.7Å; D400-S403 PolarHBondContact O-OG 2.68Å; D400-R404 WeakPolarHBondContact O-CB 3.26Å; D400-R404 VanDerWaalsContact O-CG 3.31Å; D400-R404 WeakPolarHBondContact O-CG 3.34Å; D400-R404 PolarHBondContact O-N 2.95Å; D400-R404 IonicContact OD1-CZ 3.04Å; D400-R404 IonicContact OD1-NE 2.68Å; D400-R404 PolarHBondContact OD1-NE 3.49Å; D400-R404 IonicContact OD1-NH2 3.44Å; D400-R404 PolarHBondContact OD1-NH2 3.1Å; D400-R404 IonicContact OD2-NE 2.81Å; D400-R404 PolarHBondContact OD2-NE 2.91Å; D400-S410 WeakPolarHBondContact OD2-CB 3.43Å; D400-S410 PolarHBondContact OD2-OG 3.06Å; D400-Y413 HydrophobicContact CB-CD2 4.19Å; D400-Y413 HydrophobicContact CB-CE2 3.79Å
401R93.4Very high91.3Very high75 Ų7580.4 Ų80.428%0.28337%0.374SS..Hα-helixtrans-59.5-45.7175.2-178-176.87880.3-6.8112.1A397 Q398 L399 K405 Q406 R408 F409A397-R401 VanDerWaalsContact O-CB 3.29Å; A397-R401 WeakPolarHBondContact O-CB 3.43Å; A397-R401 PolarHBondContact O-N 3.19Å; Q398-R401 PolarHBondContact O-N 2.95Å; L399-R401 PolarHBondContact O-N 3.22Å; R401-K405 PolarHBondContact O-N 3.45Å; R401-Q406 HydrophobicContact CG-CB 4.37Å; R401-Q406 WeakPolarHBondContact CG-O 3.5Å; R401-Q406 PolarHBondContact NH1-O 2.91Å; R401-Q406 PolarHBondContact O-N 3.14Å; R401-R408 WeakPolarHBondContact CG-O 3.29Å; R401-F409 HydrophobicContact CB-CD1 4.27Å
402K93.3Very high90.8Very high135 Ų13581.3 Ų81.359%0.58739%0.387SS*.Hα-helixtrans-65.5-45.3179.4-76.3175.4-178179.20111.2Q398 L399 D400 R404 K405Q398-K402 WeakPolarHBondContact O-CB 3.24Å; Q398-K402 VanDerWaalsContact O-CG 3.28Å; Q398-K402 WeakPolarHBondContact O-CG 3.31Å; Q398-K402 PolarHBondContact O-N 3.11Å; L399-K402 PolarHBondContact O-N 2.92Å; D400-K402 PolarHBondContact O-N 2.94Å; K402-R404 VanDerWaalsContact C-N 3.31Å; K402-R404 PolarHBondContact O-N 3.1Å; K402-K405 PolarHBondContact O-N 3.43Å; K402-K405 VanDerWaalsContact O-N 3.11Å
403S94.3Very high90.7Very high89 Ų8979.4 Ų79.462%0.62238%0.377SS*.Hα-helixtrans-63.3-37.2179.3720000112.1L399 D400 K405L399-S403 WeakPolarHBondContact O-CB 3.43Å; L399-S403 PolarHBondContact O-N 2.85Å; L399-S403 PolarHBondContact O-OG 3.44Å; D400-S403 PolarHBondContact O-N 2.7Å; D400-S403 PolarHBondContact O-OG 2.68Å; S403-K405 VanDerWaalsContact C-N 3.3Å; S403-K405 PolarHBondContact O-N 3.04Å
404R92.4Very high90.4Very high142 Ų14283.7 Ų83.754%0.53639%0.392SS..THydrogen-bonded Turntrans-80.7-1.8175.8-64.9179.9-173.8-103.1-1114.7D400 K402 Q406D400-R404 WeakPolarHBondContact O-CB 3.26Å; D400-R404 VanDerWaalsContact O-CG 3.31Å; D400-R404 WeakPolarHBondContact O-CG 3.34Å; D400-R404 PolarHBondContact O-N 2.95Å; D400-R404 IonicContact OD1-CZ 3.04Å; D400-R404 IonicContact OD1-NE 2.68Å; D400-R404 PolarHBondContact OD1-NE 3.49Å; D400-R404 IonicContact OD1-NH2 3.44Å; D400-R404 PolarHBondContact OD1-NH2 3.1Å; D400-R404 IonicContact OD2-NE 2.81Å; D400-R404 PolarHBondContact OD2-NE 2.91Å; K402-R404 VanDerWaalsContact C-N 3.31Å; K402-R404 PolarHBondContact O-N 3.1Å; R404-Q406 HydrophobicContact CB-CG 3.99Å; R404-Q406 PolarHBondContact O-N 3.29Å
405K90.2Very high90.3Very high196 Ų19684.5 Ų84.585%0.85240%0.395SS*.THydrogen-bonded Turntrans52.536.4-175.4-56.8-179-179.7179.10113.3R401 K402 S403R401-K405 PolarHBondContact O-N 3.45Å; K402-K405 PolarHBondContact O-N 3.43Å; K402-K405 VanDerWaalsContact O-N 3.11Å; S403-K405 VanDerWaalsContact C-N 3.3Å; S403-K405 PolarHBondContact O-N 3.04Å
406Q86.7Confident90.3Very high82 Ų8280.1 Ų80.138%0.38338%0.375SS..  trans-96.8149.3-179.8-69.4-175-9.100112R401 R404 R408R401-Q406 HydrophobicContact CG-CB 4.37Å; R401-Q406 WeakPolarHBondContact CG-O 3.5Å; R401-Q406 PolarHBondContact NH1-O 2.91Å; R401-Q406 PolarHBondContact O-N 3.14Å; R404-Q406 HydrophobicContact CB-CG 3.99Å; R404-Q406 PolarHBondContact O-N 3.29Å; Q406-R408 WeakPolarHBondContact CB-O 3.45Å
407T84.9Confident90.2Very high130 Ų13080.3 Ų80.380%0.79838%0.378SS*.SBendtrans-77.9-28174.952.20000112.5
408R86.7Confident90.1Very high185 Ų18581 Ų8170%0.69838%0.382SS*.SBendtrans-114.8161.1-179.9-62.5-178.5177.8-177.4-1.7110.4R401 Q406R401-R408 WeakPolarHBondContact CG-O 3.29Å; Q406-R408 WeakPolarHBondContact CB-O 3.45Å
409F88.7Confident90.1Very high14 Ų1478.8 Ų78.86%0.06137%0.372CS..  trans-54.8145167.9-67.6-30.2000111.2A397 Q398 R401 R414 L416 I421 M425A397-F409 HydrophobicContact CB-CD1 3.95Å; A397-F409 HydrophobicContact CB-CE1 3.75Å; A397-F409 HydrophobicContact CB-CE2 4.4Å; A397-F409 HydrophobicContact CB-CG 4.37Å; A397-F409 HydrophobicContact CB-CZ 3.97Å; Q398-F409 HydrophobicContact CG-CE1 4.08Å; Q398-F409 HydrophobicContact CG-CZ 4.48Å; R401-F409 HydrophobicContact CB-CD1 4.27Å; F409-R414 PolarHBondContact O-NH2 3.04Å; F409-L416 HydrophobicContact CE2-CD1 4.33Å; F409-I421 HydrophobicContact CE2-CD1 4.47Å; F409-M425 HydrophobicContact CE1-CE 4.01Å; F409-M425 HydrophobicContact CE2-CE 4.01Å; F409-M425 HydrophobicContact CE2-SD 3.84Å; F409-M425 HydrophobicContact CZ-CE 3.29Å; F409-M425 HydrophobicContact CZ-SD 3.67Å
410S85.8Confident89.9Confident7 Ų780 Ų805%0.04938%0.379CS..  trans-60161.7172.865.70000110.1D400 V412 Y413 R414D400-S410 WeakPolarHBondContact OD2-CB 3.43Å; D400-S410 PolarHBondContact OD2-OG 3.06Å; S410-V412 PolarHBondContact O-N 2.81Å; S410-V412 VanDerWaalsContact O-N 3.1Å; S410-Y413 PolarHBondContact O-N 3.4Å; S410-R414 PolarHBondContact O-N 3.23Å; S410-R414 VanDerWaalsContact O-N 3.11Å
411Q82.9Confident89.8Confident115 Ų11578.6 Ų78.654%0.53737%0.371SS..THydrogen-bonded Turntrans-56.3-30.8-178.4-66.6177.1-7.600112.1M345M345-Q411 HydrophobicContact CE-CB 4.11Å; M345-Q411 HydrophobicContact CG-CB 4.49Å
412V85.1Confident89.6Confident89 Ų8981.5 Ų81.554%0.53939%0.388SS..THydrogen-bonded Turntrans-69-32.3-179.9-175.90000112.5S410 Y415S410-V412 PolarHBondContact O-N 2.81Å; S410-V412 VanDerWaalsContact O-N 3.1Å; V412-Y415 WeakPolarHBondContact O-CD1 3.46Å; V412-Y415 WeakPolarHBondContact O-CE1 3.19Å
413Y91.1Very high89.4Confident48 Ų4879.6 Ų79.619%0.18839%0.392CS..THydrogen-bonded Turntrans-101.3-3.2-179.7-71.1-73.4000113.8E396 A397 D400 S410 Y415 L416E396-Y413 HydrophobicContact CB-CE1 4.44Å; A397-Y413 HydrophobicContact CB-CD1 3.61Å; A397-Y413 HydrophobicContact CB-CD2 4.09Å; A397-Y413 HydrophobicContact CB-CE1 4.21Å; A397-Y413 HydrophobicContact CB-CG 3.54Å; D400-Y413 HydrophobicContact CB-CD2 4.19Å; D400-Y413 HydrophobicContact CB-CE2 3.79Å; S410-Y413 PolarHBondContact O-N 3.4Å; Y413-Y415 PolarHBondContact O-N 3.31Å; Y413-Y415 VanDerWaalsContact O-N 3.14Å; Y413-L416 HydrophobicContact CD1-CD1 4.26Å; Y413-L416 WeakPolarHBondContact O-CB 3.11Å; Y413-L416 WeakPolarHBondContact O-CG 3.21Å; Y413-L416 PolarHBondContact O-N 2.76Å
414R87.8Confident89.2Confident99 Ų9975.7 Ų75.737%0.37437%0.365SS..G310 helixtrans-63.5-22.5-175.9-168.7170-66.2157.32.7113.3F409 S410 L416 N417F409-R414 PolarHBondContact O-NH2 3.04Å; S410-R414 PolarHBondContact O-N 3.23Å; S410-R414 VanDerWaalsContact O-N 3.11Å; R414-L416 PolarHBondContact O-N 3.09Å; R414-N417 WeakPolarHBondContact O-CB 3.5Å; R414-N417 PolarHBondContact O-N 3.22Å; R414-N417 VanDerWaalsContact O-N 3.11Å
415Y92.1Very high89Confident19 Ų1971.5 Ų71.58%0.07535%0.352CS..G310 helixtrans-60.9-21.1174.174.4-95.8000113.1R346 V412 Y413 N417 V418 P450 L451R346-Y415 HydrophobicContact CB-CG 4.31Å; V412-Y415 WeakPolarHBondContact O-CD1 3.46Å; V412-Y415 WeakPolarHBondContact O-CE1 3.19Å; Y413-Y415 PolarHBondContact O-N 3.31Å; Y413-Y415 VanDerWaalsContact O-N 3.14Å; Y415-N417 PolarHBondContact O-N 3.26Å; Y415-V418 WeakPolarHBondContact O-CB 3.36Å; Y415-V418 VanDerWaalsContact O-CG2 3.23Å; Y415-V418 WeakPolarHBondContact O-CG2 3.36Å; Y415-V418 PolarHBondContact O-N 3.49Å; Y415-V418 VanDerWaalsContact O-N 3.09Å; Y415-P450 HydrophobicContact CD2-CB 4.12Å; Y415-P450 HydrophobicContact CD2-CG 3.95Å; Y415-L451 HydrophobicContact CD2-CD2 4.25Å; Y415-L451 HydrophobicContact CE2-CD2 3.68Å
416L93.4Very high89Confident0 Ų068.5 Ų68.50%035%0.35CS..G310 helixtrans-61.6-29.6175.3-68.1175.5000112.1L390 L393 V394 A397 F409 Y413 R414 V418 L419 I421 L451L390-L416 HydrophobicContact CD1-CD2 4.39Å; L393-L416 HydrophobicContact CB-CD2 4.45Å; L393-L416 HydrophobicContact CD1-CD2 4.41Å; V394-L416 HydrophobicContact CG2-CD1 4.38Å; A397-L416 HydrophobicContact CB-CD1 3.8Å; F409-L416 HydrophobicContact CE2-CD1 4.33Å; Y413-L416 HydrophobicContact CD1-CD1 4.26Å; Y413-L416 WeakPolarHBondContact O-CB 3.11Å; Y413-L416 WeakPolarHBondContact O-CG 3.21Å; Y413-L416 PolarHBondContact O-N 2.76Å; R414-L416 PolarHBondContact O-N 3.09Å; L416-V418 PolarHBondContact O-N 3.42Å; L416-L419 PolarHBondContact O-N 3.22Å; L416-L419 VanDerWaalsContact O-N 3.13Å; L416-I421 HydrophobicContact CB-CD1 3.74Å; L416-L451 HydrophobicContact CD2-CD2 3.68Å
417N90.9Very high89.2Confident60 Ų6067.7 Ų67.732%0.32135%0.354SS..G310 helixtrans-67.2-14.6177.8-66.57.8000112.8R414 Y415 L419 D420R414-N417 WeakPolarHBondContact O-CB 3.5Å; R414-N417 PolarHBondContact O-N 3.22Å; R414-N417 VanDerWaalsContact O-N 3.11Å; Y415-N417 PolarHBondContact O-N 3.26Å; N417-L419 PolarHBondContact O-N 2.81Å; N417-D420 PolarHBondContact O-N 2.91Å
418V91.6Very high89.5Confident15 Ų1565.5 Ų65.59%0.09134%0.337CS..G310 helixtrans-62.7-25.7173.5170.50000111.3P308 R309 Y415 L416 P450P308-V418 HydrophobicContact CB-CG1 3.73Å; P308-V418 WeakPolarHBondContact CB-O 3.43Å; R309-V418 VanDerWaalsContact CZ-CG1 3.48Å; Y415-V418 WeakPolarHBondContact O-CB 3.36Å; Y415-V418 VanDerWaalsContact O-CG2 3.23Å; Y415-V418 WeakPolarHBondContact O-CG2 3.36Å; Y415-V418 PolarHBondContact O-N 3.49Å; Y415-V418 VanDerWaalsContact O-N 3.09Å; L416-V418 PolarHBondContact O-N 3.42Å; V418-P450 HydrophobicContact CB-CG 4.12Å; V418-P450 HydrophobicContact CG1-CG 4.06Å
419L93Very high89.7Confident10 Ų1060.1 Ų60.15%0.05233%0.325CS..G310 helixtrans-95.615.1-178.2-59.9179.7000113.4P308 L390 L416 N417 I421 V433 V435 L451P308-L419 HydrophobicContact CG-CD2 3.95Å; L390-L419 HydrophobicContact CD1-CD1 4.49Å; L416-L419 PolarHBondContact O-N 3.22Å; L416-L419 VanDerWaalsContact O-N 3.13Å; N417-L419 PolarHBondContact O-N 2.81Å; L419-I421 HydrophobicContact CB-CG2 3.76Å; L419-I421 PolarHBondContact O-N 3.49Å; L419-I421 VanDerWaalsContact O-N 3.12Å; L419-V433 HydrophobicContact CB-CG1 4.38Å; L419-V435 HydrophobicContact CD1-CG1 4.07Å; L419-V435 HydrophobicContact CD1-CG2 4.25Å; L419-V435 HydrophobicContact CD2-CG1 4.28Å; L419-L451 HydrophobicContact CD1-CD1 3.92Å; L419-L451 HydrophobicContact CD1-CD2 3.65Å; L419-L451 HydrophobicContact CD1-CG 3.94Å
420D90Very high90Very high140 Ų14059.6 Ų59.675%0.74932%0.322SS*.THydrogen-bonded Turntrans49.439.9179.4-64.4-32.2000114.3N417 E422N417-D420 PolarHBondContact O-N 2.91Å; D420-E422 PolarHBondContact O-N 3.47Å; D420-E422 VanDerWaalsContact O-N 3.13Å
421I91.4Very high90.3Very high0 Ų060.3 Ų60.30%033%0.327CS..THydrogen-bonded Turntrans-75.73.6-172.163.3166.9000115.4L390 V394 F409 L416 L419 S423 A424 M425 V433L390-I421 HydrophobicContact CD2-CG2 4.34Å; V394-I421 HydrophobicContact CG2-CD1 3.63Å; F409-I421 HydrophobicContact CE2-CD1 4.47Å; L416-I421 HydrophobicContact CB-CD1 3.74Å; L419-I421 HydrophobicContact CB-CG2 3.76Å; L419-I421 PolarHBondContact O-N 3.49Å; L419-I421 VanDerWaalsContact O-N 3.12Å; I421-S423 VanDerWaalsContact C-N 3.33Å; I421-S423 PolarHBondContact O-N 2.9Å; I421-A424 PolarHBondContact O-N 3.03Å; I421-A424 VanDerWaalsContact O-N 3.16Å; I421-M425 HydrophobicContact CD1-CG 4.13Å; I421-M425 HydrophobicContact CD1-SD 3.8Å; I421-M425 HydrophobicContact CG1-CG 4.26Å; I421-M425 HydrophobicContact CG1-SD 3.97Å; I421-M425 VanDerWaalsContact O-CG 3.32Å; I421-M425 WeakPolarHBondContact O-CG 3.25Å; I421-M425 PolarHBondContact O-N 2.97Å; I421-V433 HydrophobicContact CG2-CG1 4.05Å
422E88.9Confident90.8Very high136 Ų13659.5 Ų59.564%0.63633%0.327SS*.Hα-helixtrans-59.5-43.4-172.2-64.5-171.216600112.1D420 M425 V426D420-E422 PolarHBondContact O-N 3.47Å; D420-E422 VanDerWaalsContact O-N 3.13Å; E422-M425 WeakPolarHBondContact O-CB 3.3Å; E422-M425 PolarHBondContact O-N 2.67Å; E422-V426 WeakPolarHBondContact O-CG2 3.48Å; E422-V426 PolarHBondContact O-N 3.41Å
423S89.2Confident91.3Very high95 Ų9556.1 Ų56.166%0.66431%0.306SS*.Hα-helixtrans-62.8-45.4176.2-176.90000111.9I421 M425 V426 S427I421-S423 VanDerWaalsContact C-N 3.33Å; I421-S423 PolarHBondContact O-N 2.9Å; S423-M425 VanDerWaalsContact C-N 3.28Å; S423-M425 PolarHBondContact O-N 3.17Å; S423-V426 PolarHBondContact O-N 3.41Å; S423-V426 VanDerWaalsContact O-N 3.14Å; S423-S427 PolarHBondContact O-N 3.03Å; S423-S427 VanDerWaalsContact O-N 3.11Å; S423-S427 PolarHBondContact O-OG 3.03Å
424A90Very high91.5Very high8 Ų857.6 Ų57.67%0.06632%0.316CS..Hα-helixtrans-63.7-32.8178.300000112.7I421 S427 N428 V429 F430 V433I421-A424 PolarHBondContact O-N 3.03Å; I421-A424 VanDerWaalsContact O-N 3.16Å; A424-S427 PolarHBondContact O-OG 2.99Å; A424-N428 VanDerWaalsContact O-CA 3.27Å; A424-N428 WeakPolarHBondContact O-CA 3.28Å; A424-N428 PolarHBondContact O-N 2.84Å; A424-V429 WeakPolarHBondContact CA-O 3.25Å; A424-V429 VanDerWaalsContact CB-O 3.22Å; A424-V429 WeakPolarHBondContact CB-O 3.27Å; A424-V429 PolarHBondContact O-N 3.18Å; A424-F430 HydrophobicContact CB-CD1 3.59Å; A424-F430 HydrophobicContact CB-CE1 3.75Å; A424-F430 HydrophobicContact CB-CG 4.3Å; A424-V433 HydrophobicContact CB-CG2 3.62Å
425M89.5Confident91.9Very high53 Ų5353 Ų5326%0.26130%0.298SS..Hα-helixtrans-67.1-34.8174.8-74.1179.459.100112.8V394 F409 I421 E422 S423 F430V394-M425 HydrophobicContact CG1-CE 4.48Å; V394-M425 HydrophobicContact CG1-CG 3.88Å; V394-M425 HydrophobicContact CG1-SD 4.4Å; F409-M425 HydrophobicContact CE1-CE 4.01Å; F409-M425 HydrophobicContact CE2-CE 4.01Å; F409-M425 HydrophobicContact CE2-SD 3.84Å; F409-M425 HydrophobicContact CZ-CE 3.29Å; F409-M425 HydrophobicContact CZ-SD 3.67Å; I421-M425 HydrophobicContact CD1-CG 4.13Å; I421-M425 HydrophobicContact CD1-SD 3.8Å; I421-M425 HydrophobicContact CG1-CG 4.26Å; I421-M425 HydrophobicContact CG1-SD 3.97Å; I421-M425 VanDerWaalsContact O-CG 3.32Å; I421-M425 WeakPolarHBondContact O-CG 3.25Å; I421-M425 PolarHBondContact O-N 2.97Å; E422-M425 WeakPolarHBondContact O-CB 3.3Å; E422-M425 PolarHBondContact O-N 2.67Å; S423-M425 VanDerWaalsContact C-N 3.28Å; S423-M425 PolarHBondContact O-N 3.17Å; M425-F430 HydrophobicContact CG-CE1 4.43Å
426V89.5Confident92.2Very high133 Ų13352.1 Ų52.181%0.80630%0.295SS*.Hα-helixtrans-74.1-44.6178.7175.70000110.8E422 S423E422-V426 WeakPolarHBondContact O-CG2 3.48Å; E422-V426 PolarHBondContact O-N 3.41Å; S423-V426 PolarHBondContact O-N 3.41Å; S423-V426 VanDerWaalsContact O-N 3.14Å
427S90.5Very high92.4Very high66 Ų6652.1 Ų52.146%0.46230%0.295SS..Hα-helixtrans-79.3-18.3-179.664.10000113.8S423 A424 V429S423-S427 PolarHBondContact O-N 3.03Å; S423-S427 VanDerWaalsContact O-N 3.11Å; S423-S427 PolarHBondContact O-OG 3.03Å; A424-S427 PolarHBondContact O-OG 2.99Å; S427-V429 PolarHBondContact O-N 2.7Å; S427-V429 PolarHBondContact OG-N 2.79Å
428N90.3Very high92.7Very high84 Ų8449.2 Ų49.245%0.44928%0.28SS..THydrogen-bonded Turntrans56.829.4-168-166.338.1000113.1R391 A424R391-N428 PolarHBondContact NH1-ND2 3.27Å; R391-N428 PolarHBondContact NH1-O 3.06Å; R391-N428 PolarHBondContact NH2-O 3.42Å; A424-N428 VanDerWaalsContact O-CA 3.27Å; A424-N428 WeakPolarHBondContact O-CA 3.28Å; A424-N428 PolarHBondContact O-N 2.84Å
429V92.1Very high93Very high72 Ų7249.2 Ų49.244%0.43628%0.28SS..  trans-120.2113.8176.3-179.60000108.2A424 S427A424-V429 WeakPolarHBondContact CA-O 3.25Å; A424-V429 VanDerWaalsContact CB-O 3.22Å; A424-V429 WeakPolarHBondContact CB-O 3.27Å; A424-V429 PolarHBondContact O-N 3.18Å; S427-V429 PolarHBondContact O-N 2.7Å; S427-V429 PolarHBondContact OG-N 2.79Å
430F94.1Very high93.1Very high2 Ų249.2 Ų49.21%0.00928%0.28CS..  trans-106.3-0.2-175.9-66.2-83.8000113A370 E387 L390 R391 V394 A424 M425 D432 V433A370-F430 VanDerWaalsContact CB-O 3.31Å; A370-F430 WeakPolarHBondContact CB-O 3.39Å; E387-F430 HydrophobicContact CG-CB 3.74Å; L390-F430 HydrophobicContact CD2-CB 4.21Å; L390-F430 HydrophobicContact CD2-CD1 3.79Å; L390-F430 HydrophobicContact CD2-CG 4.38Å; L390-F430 HydrophobicContact CG-CD1 3.86Å; L390-F430 HydrophobicContact CG-CG 4.41Å; R391-F430 HydrophobicContact CB-CD2 3.84Å; R391-F430 HydrophobicContact CB-CE2 4.15Å; R391-F430 HydrophobicContact CG-CD2 4.07Å; R391-F430 HydrophobicContact CG-CE2 4.06Å; V394-F430 HydrophobicContact CB-CE1 4.31Å; V394-F430 HydrophobicContact CB-CZ 4.05Å; V394-F430 HydrophobicContact CG1-CE1 4.38Å; V394-F430 HydrophobicContact CG1-CZ 3.92Å; V394-F430 HydrophobicContact CG2-CE1 3.81Å; V394-F430 HydrophobicContact CG2-CZ 4.08Å; A424-F430 HydrophobicContact CB-CD1 3.59Å; A424-F430 HydrophobicContact CB-CE1 3.75Å; A424-F430 HydrophobicContact CB-CG 4.3Å; M425-F430 HydrophobicContact CG-CE1 4.43Å; F430-D432 VanDerWaalsContact C-N 3.3Å; F430-D432 PolarHBondContact O-N 3.45Å; F430-V433 HydrophobicContact CB-CG2 4.48Å; F430-V433 HydrophobicContact CD1-CG2 4.35Å; F430-V433 WeakPolarHBondContact O-CB 3.4Å; F430-V433 WeakPolarHBondContact O-CG2 3.29Å; F430-V433 PolarHBondContact O-N 2.96Å
431S93.4Very high93.2Very high23 Ų2345.3 Ų45.316%0.16126%0.264CS..THydrogen-bonded Turntrans-59.6-38.8-166.6-46.30000113.2A370 K371 E387A370-S431 PolarHBondContact N-O 3.5Å; K371-S431 WeakPolarHBondContact CG-O 3.39Å; K371-S431 PolarHBondContact N-O 3.28Å; K371-S431 VanDerWaalsContact N-O 3.13Å; E387-S431 PolarHBondContact OE1-OG 2.87Å; E387-S431 WeakPolarHBondContact OE2-CB 3.22Å; E387-S431 PolarHBondContact OE2-OG 3.42Å
432D93.5Very high93.3Very high98 Ų9849 Ų4952%0.52429%0.286SS..THydrogen-bonded Turntrans-97.87.3-174.6-51.1-35.2000113K371 F430 M434K371-D432 IonicContact NZ-OD1 3.24Å; K371-D432 PolarHBondContact NZ-OD1 3.03Å; F430-D432 VanDerWaalsContact C-N 3.3Å; F430-D432 PolarHBondContact O-N 3.45Å; D432-M434 PolarHBondContact O-N 2.98Å
433V94.7Very high93.4Very high17 Ų1747.8 Ų47.810%0.10329%0.29CS..  trans-66.4123.9174.7178.10000108.5E369 A370 L390 L419 I421 A424 F430 V435E369-V433 CarbonylContact C-O 3.52Å; E369-V433 WeakPolarHBondContact CA-O 3.11Å; A370-V433 HydrophobicContact CB-CB 4.47Å; A370-V433 PolarHBondContact N-O 3.1Å; L390-V433 HydrophobicContact CD2-CB 3.9Å; L390-V433 HydrophobicContact CD2-CG1 3.78Å; L390-V433 HydrophobicContact CD2-CG2 4.08Å; L419-V433 HydrophobicContact CB-CG1 4.38Å; I421-V433 HydrophobicContact CG2-CG1 4.05Å; A424-V433 HydrophobicContact CB-CG2 3.62Å; F430-V433 HydrophobicContact CB-CG2 4.48Å; F430-V433 HydrophobicContact CD1-CG2 4.35Å; F430-V433 WeakPolarHBondContact O-CB 3.4Å; F430-V433 WeakPolarHBondContact O-CG2 3.29Å; F430-V433 PolarHBondContact O-N 2.96Å; V433-V435 HydrophobicContact CG1-CG2 4.08Å
434M95.8Very high93.6Very high79 Ų7945.6 Ų45.639%0.38927%0.272SS..EExtended strand (participates in β ladder)trans-83.4118179.8-68.4-59.7-76.600110.5L367 E369 D432L367-M434 HydrophobicContact CB-CE 4.2Å; L367-M434 HydrophobicContact CD1-CB 4.35Å; L367-M434 HydrophobicContact CD2-CB 3.71Å; L367-M434 HydrophobicContact CD2-CE 3.79Å; L367-M434 HydrophobicContact CD2-CG 4.32Å; L367-M434 HydrophobicContact CG-CB 3.85Å; L367-M434 HydrophobicContact CG-CE 3.83Å; E369-M434 HydrophobicContact CB-SD 4.33Å; E369-M434 HydrophobicContact CG-SD 3.52Å; E369-M434 VanDerWaalsContact CG-SD 3.52Å; D432-M434 PolarHBondContact O-N 2.98Å
435V96.2Very high93.9Very high2 Ų245.8 Ų45.81%0.01227%0.273CS..EExtended strand (participates in β ladder)trans-121.3131.7-173.6-167.50000110.3K368 A370 F373 L419 V433 V448 L451K368-V435 PolarHBondContact N-O 3.45Å; K368-V435 PolarHBondContact O-N 3.37Å; A370-V435 HydrophobicContact CB-CG2 4.34Å; F373-V435 HydrophobicContact CE1-CB 4.22Å; F373-V435 HydrophobicContact CZ-CB 4.36Å; L419-V435 HydrophobicContact CD1-CG1 4.07Å; L419-V435 HydrophobicContact CD1-CG2 4.25Å; L419-V435 HydrophobicContact CD2-CG1 4.28Å; V433-V435 HydrophobicContact CG1-CG2 4.08Å; V435-V448 HydrophobicContact CG1-CG1 3.35Å; V435-L451 HydrophobicContact CG1-CD1 4.2Å
436P97.5Very high94.3Very high1 Ų143.2 Ų43.21%0.00626%0.26CS..EExtended strand (participates in β ladder)trans-66.1134.3170.3-18.130.6000110.2P308 R309 Y365 T366 L367 P449P308-P436 HydrophobicContact CG-CG 3.81Å; R309-P436 HydrophobicContact CB-CG 4.19Å; R309-P436 HydrophobicContact CG-CG 4.36Å; Y365-P436 HydrophobicContact CE2-CB 3.96Å; T366-P436 WeakPolarHBondContact O-CA 3.37Å; L367-P436 HydrophobicContact CD1-CB 4.33Å; L367-P436 HydrophobicContact CD1-CG 3.76Å; P436-P449 HydrophobicContact CB-CG 4.27Å; P436-P449 WeakPolarHBondContact O-CD 3.49Å
437I97.8Very high94.6Very high0 Ų037 Ų370%022%0.222CC..EExtended strand (participates in β ladder)trans-134.3148.7176.963.2170.3000110.5Y365 T366 K368 F373 V439 V445 S447 V448Y365-I437 WeakPolarHBondContact CD2-O 3.25Å; T366-I437 HydrophobicContact CG2-CD1 4.21Å; T366-I437 HydrophobicContact CG2-CG1 3.85Å; T366-I437 PolarHBondContact N-O 2.94Å; T366-I437 VanDerWaalsContact N-O 3.1Å; T366-I437 PolarHBondContact O-N 3.13Å; K368-I437 HydrophobicContact CB-CD1 3.94Å; K368-I437 HydrophobicContact CB-CG1 4.43Å; K368-I437 HydrophobicContact CD-CD1 3.5Å; K368-I437 HydrophobicContact CG-CD1 3.64Å; K368-I437 HydrophobicContact CG-CG1 4.27Å; F373-I437 HydrophobicContact CB-CD1 4.49Å; F373-I437 HydrophobicContact CD1-CG2 4.21Å; F373-I437 HydrophobicContact CD2-CG2 4.42Å; F373-I437 HydrophobicContact CE1-CG2 3.97Å; F373-I437 HydrophobicContact CE2-CG2 4.23Å; F373-I437 HydrophobicContact CG-CG2 4.41Å; F373-I437 HydrophobicContact CZ-CG2 3.99Å; I437-V439 HydrophobicContact CD1-CG2 3.5Å; I437-V439 HydrophobicContact CG1-CG2 3.91Å; I437-V445 HydrophobicContact CB-CG1 4.15Å; I437-V445 HydrophobicContact CD1-CG2 4.34Å; I437-V445 HydrophobicContact CG2-CG1 4.32Å; I437-S447 WeakPolarHBondContact CA-O 3.03Å; I437-V448 HydrophobicContact CG2-CG1 4.25Å; I437-V448 HydrophobicContact CG2-CG2 4.28Å
438V97.9Very high95Very high0 Ų033.8 Ų33.80%020%0.2CC..EExtended strand (participates in β ladder)trans-109.6125.4165.6-172.70000108I312 L363 A364 Y365 V445 I446 S447I312-V438 HydrophobicContact CD1-CG2 4.07Å; L363-V438 HydrophobicContact CB-CG1 4.2Å; L363-V438 HydrophobicContact CD1-CG1 4.14Å; A364-V438 WeakPolarHBondContact O-CA 3.47Å; Y365-V438 HydrophobicContact CD2-CG2 3.66Å; Y365-V438 HydrophobicContact CE2-CG2 4.18Å; V438-V445 WeakPolarHBondContact O-CA 3.38Å; V438-I446 HydrophobicContact CB-CD1 4.38Å; V438-I446 HydrophobicContact CB-CG1 3.91Å; V438-I446 HydrophobicContact CG1-CD1 3.75Å; V438-I446 HydrophobicContact CG1-CG1 3.77Å; V438-I446 WeakPolarHBondContact O-CG1 3.4Å; V438-I446 PolarHBondContact O-N 3.02Å; V438-S447 VanDerWaalsContact CB-OG 3.31Å; V438-S447 WeakPolarHBondContact CB-OG 3.3Å; V438-S447 VanDerWaalsContact CG2-OG 3.24Å; V438-S447 WeakPolarHBondContact CG2-OG 3.34Å; V438-S447 PolarHBondContact N-O 2.98Å; V438-S447 PolarHBondContact O-N 3.09Å
439V97.1Very high95.2Very high15 Ų1530 Ų309%0.09118%0.18CC..EExtended strand (participates in β ladder)trans-119.2139.4-177.7-165.50000108.6L363 A364 I437 P443 V444 V445L363-V439 CarbonylContact C-O 3.56Å; L363-V439 VanDerWaalsContact CA-O 3.3Å; L363-V439 WeakPolarHBondContact CA-O 3.44Å; A364-V439 HydrophobicContact CB-CB 4.49Å; A364-V439 PolarHBondContact N-O 2.96Å; A364-V439 PolarHBondContact O-N 3.43Å; I437-V439 HydrophobicContact CD1-CG2 3.5Å; I437-V439 HydrophobicContact CG1-CG2 3.91Å; V439-P443 VanDerWaalsContact CG1-C 3.47Å; V439-V444 WeakPolarHBondContact CA-O 3.43Å; V439-V444 WeakPolarHBondContact CG1-O 3.29Å; V439-V445 HydrophobicContact CG2-CG2 4.29Å
440D94.8Very high95.4Very high10 Ų1026.6 Ų26.65%0.05316%0.159CC..  trans-84.5177.617384.3-4.8000112I359 R360 L363 T442 V444 I446I359-D440 HydrophobicContact CG2-CB 4.46Å; R360-D440 WeakPolarHBondContact O-CB 3.39Å; L363-D440 HydrophobicContact CD2-CB 3.86Å; D440-T442 VanDerWaalsContact CG-OG1 3.27Å; D440-T442 PolarHBondContact O-N 2.97Å; D440-T442 VanDerWaalsContact OD1-CA 3.3Å; D440-T442 WeakPolarHBondContact OD1-CA 3.35Å; D440-T442 PolarHBondContact OD1-N 2.97Å; D440-T442 PolarHBondContact OD1-OG1 3.23Å; D440-T442 PolarHBondContact OD2-OG1 2.79Å; D440-T442 VanDerWaalsContact OD2-OG1 3.05Å; D440-V444 PolarHBondContact N-O 2.96Å; D440-V444 PolarHBondContact OD1-N 2.76Å; D440-I446 HydrophobicContact CB-CG2 4.03Å
441S93.6Very high95.4Very high58 Ų5826.8 Ų26.841%0.40616%0.161SC..SBendtrans-73.1-4.7180600000114.5R360 F361 P362 P443R360-S441 WeakPolarHBondContact CB-OG 3.41Å; R360-S441 PolarHBondContact O-N 3.25Å; R360-S441 PolarHBondContact O-OG 2.88Å; F361-S441 WeakPolarHBondContact O-CB 3.47Å; F361-S441 PolarHBondContact O-OG 3.37Å; P362-S441 PolarHBondContact O-N 2.97Å; S441-P443 VanDerWaalsContact C-CD 3.41Å; S441-P443 WeakPolarHBondContact O-CD 3.42Å
442T92.9Very high95.5Very high77 Ų7726.9 Ų26.947%0.47216%0.16SC..SBendtrans-99.832.3173.467.60000112.9R360 D440 V444R360-T442 HydrophobicContact CB-CG2 4.1Å; R360-T442 HydrophobicContact CG-CG2 3.86Å; D440-T442 VanDerWaalsContact CG-OG1 3.27Å; D440-T442 PolarHBondContact O-N 2.97Å; D440-T442 VanDerWaalsContact OD1-CA 3.3Å; D440-T442 WeakPolarHBondContact OD1-CA 3.35Å; D440-T442 PolarHBondContact OD1-N 2.97Å; D440-T442 PolarHBondContact OD1-OG1 3.23Å; D440-T442 PolarHBondContact OD2-OG1 2.79Å; D440-T442 VanDerWaalsContact OD2-OG1 3.05Å; T442-V444 PolarHBondContact O-N 3.32Å; T442-V444 VanDerWaalsContact O-N 3.09Å
443P90Very high95.6Very high110 Ų11023.4 Ų23.471%0.71414%0.141SC*.SBendtrans34.824.9-162.3-10.1-16000119.8V439 S441V439-P443 VanDerWaalsContact CG1-C 3.47Å; S441-P443 VanDerWaalsContact C-CD 3.41Å; S441-P443 WeakPolarHBondContact O-CD 3.42Å
444V93.6Very high95.6Very high49 Ų4922.7 Ų22.730%0.29714%0.137SC..  trans-87.5128.7179177.50000109.8V439 D440 T442 I446V439-V444 WeakPolarHBondContact CA-O 3.43Å; V439-V444 WeakPolarHBondContact CG1-O 3.29Å; D440-V444 PolarHBondContact N-O 2.96Å; D440-V444 PolarHBondContact OD1-N 2.76Å; T442-V444 PolarHBondContact O-N 3.32Å; T442-V444 VanDerWaalsContact O-N 3.09Å; V444-I446 PolarHBondContact O-N 2.97Å
445V97Very high95.6Very high12 Ų1222.2 Ų22.27%0.07313%0.134CC..EExtended strand (participates in β ladder)trans-73114.3171.7-175.60000109F373 L374 I375 I437 V438 V439 S447 V448 S454F373-V445 HydrophobicContact CB-CG2 4.08Å; F373-V445 HydrophobicContact CD2-CG2 4.19Å; F373-V445 HydrophobicContact CG-CG2 4.48Å; L374-V445 WeakPolarHBondContact O-CG2 3.22Å; I375-V445 HydrophobicContact CD1-CB 4.18Å; I375-V445 HydrophobicContact CD1-CG1 3.95Å; I437-V445 HydrophobicContact CB-CG1 4.15Å; I437-V445 HydrophobicContact CD1-CG2 4.34Å; I437-V445 HydrophobicContact CG2-CG1 4.32Å; V438-V445 WeakPolarHBondContact O-CA 3.38Å; V439-V445 HydrophobicContact CG2-CG2 4.29Å; V445-S447 WeakPolarHBondContact CG1-O 3.37Å; V445-V448 HydrophobicContact CG1-CG2 3.7Å; V445-S454 VanDerWaalsContact O-CB 3.28Å; V445-S454 WeakPolarHBondContact O-CB 3.31Å; V445-S454 PolarHBondContact O-OG 2.9Å
446I96.9Very high95.4Very high0 Ų026.5 Ų26.50%015%0.154CC..EExtended strand (participates in β ladder)trans-92-28.2-178.964.7167.4000112.1H354 I359 L363 V438 D440 V444 S454 T457 L467H354-I446 PolarHBondContact CE1-O 3Å; I359-I446 HydrophobicContact CD1-CD1 3.83Å; I359-I446 HydrophobicContact CG1-CD1 4.49Å; I359-I446 HydrophobicContact CG1-CG2 4.39Å; L363-I446 HydrophobicContact CD1-CD1 4.09Å; L363-I446 HydrophobicContact CD2-CD1 4.1Å; V438-I446 HydrophobicContact CB-CD1 4.38Å; V438-I446 HydrophobicContact CB-CG1 3.91Å; V438-I446 HydrophobicContact CG1-CD1 3.75Å; V438-I446 HydrophobicContact CG1-CG1 3.77Å; V438-I446 WeakPolarHBondContact O-CG1 3.4Å; V438-I446 PolarHBondContact O-N 3.02Å; D440-I446 HydrophobicContact CB-CG2 4.03Å; V444-I446 PolarHBondContact O-N 2.97Å; I446-S454 VanDerWaalsContact O-CB 3.26Å; I446-S454 WeakPolarHBondContact O-CB 3.42Å; I446-S454 PolarHBondContact O-N 2.78Å; I446-T457 HydrophobicContact CB-CG2 4.12Å; I446-T457 HydrophobicContact CG2-CG2 3.91Å; I446-L467 HydrophobicContact CD1-CD2 4.2Å
447S97.4Very high95.3Very high1 Ų126.5 Ų26.51%0.00715%0.154CC..EExtended strand (participates in β ladder)trans-152.2156176.577.30000112.2I437 V438 V445 E469I437-S447 WeakPolarHBondContact CA-O 3.03Å; V438-S447 VanDerWaalsContact CB-OG 3.31Å; V438-S447 WeakPolarHBondContact CB-OG 3.3Å; V438-S447 VanDerWaalsContact CG2-OG 3.24Å; V438-S447 WeakPolarHBondContact CG2-OG 3.34Å; V438-S447 PolarHBondContact N-O 2.98Å; V438-S447 PolarHBondContact O-N 3.09Å; V445-S447 WeakPolarHBondContact CG1-O 3.37Å; S447-E469 WeakPolarHBondContact CB-OE1 3.47Å; S447-E469 PolarHBondContact OG-OE1 2.99Å
448V97.3Very high95.2Very high0 Ų031.9 Ų31.90%017%0.174CC..EExtended strand (participates in β ladder)trans-134.173179.8-172.60000108.1F373 I375 V435 I437 V445 L451 T452F373-V448 HydrophobicContact CE2-CG1 4.38Å; F373-V448 HydrophobicContact CE2-CG2 3.99Å; F373-V448 HydrophobicContact CZ-CG1 4.12Å; I375-V448 HydrophobicContact CB-CG2 4.45Å; I375-V448 HydrophobicContact CD1-CG2 3.94Å; I375-V448 HydrophobicContact CG1-CG2 3.95Å; V435-V448 HydrophobicContact CG1-CG1 3.35Å; I437-V448 HydrophobicContact CG2-CG1 4.25Å; I437-V448 HydrophobicContact CG2-CG2 4.28Å; V445-V448 HydrophobicContact CG1-CG2 3.7Å; V448-L451 HydrophobicContact CB-CB 4.48Å; V448-L451 HydrophobicContact CG1-CB 4.28Å; V448-L451 HydrophobicContact CG1-CD1 3.86Å; V448-L451 HydrophobicContact CG1-CG 4.21Å; V448-L451 VanDerWaalsContact O-CA 3.29Å; V448-L451 WeakPolarHBondContact O-CA 3.13Å; V448-L451 VanDerWaalsContact O-CB 3.23Å; V448-L451 WeakPolarHBondContact O-CB 3.26Å; V448-L451 PolarHBondContact O-N 2.89Å; V448-T452 PolarHBondContact N-O 3.25Å; V448-T452 PolarHBondContact O-N 2.69Å
449P96Very high95.1Very high4 Ų432.3 Ų32.33%0.02618%0.176CC..THydrogen-bonded Turntrans-69.7135.9-177.724.5-30.9000111.9T350 Y365 P436 S471T350-P449 HydrophobicContact CG2-CB 4.3Å; Y365-P449 HydrophobicContact CE2-CG 4.21Å; P436-P449 HydrophobicContact CB-CG 4.27Å; P436-P449 WeakPolarHBondContact O-CD 3.49Å; P449-S471 WeakPolarHBondContact CB-OG 3.47Å
450P94.9Very high95Very high0 Ų034.5 Ų34.50%019%0.19CC..THydrogen-bonded Turncis-91.29.18.136.2-37.2000115.7R346 T350 Y415 V418R346-P450 HydrophobicContact CB-CB 4.43Å; T350-P450 WeakPolarHBondContact OG1-CA 3.27Å; T350-P450 VanDerWaalsContact OG1-CB 3.27Å; T350-P450 WeakPolarHBondContact OG1-CB 3.27Å; Y415-P450 HydrophobicContact CD2-CB 4.12Å; Y415-P450 HydrophobicContact CD2-CG 3.95Å; V418-P450 HydrophobicContact CB-CG 4.12Å; V418-P450 HydrophobicContact CG1-CG 4.06Å
451L95Very high95Very high7 Ų736.8 Ų36.84%0.03720%0.204CC..THydrogen-bonded Turntrans-75.6-63.2-166.3-51.3-175.8000114.1R346 F389 L390 L393 Y415 L416 L419 V435 V448R346-L451 PolarHBondContact NH1-O 3.38Å; F389-L451 HydrophobicContact CD1-CD1 4.38Å; F389-L451 HydrophobicContact CE1-CB 3.89Å; F389-L451 HydrophobicContact CE1-CD1 4.12Å; L390-L451 HydrophobicContact CD1-CD1 4.17Å; L393-L451 HydrophobicContact CD1-CB 4.33Å; L393-L451 HydrophobicContact CD1-CD1 4.43Å; L393-L451 HydrophobicContact CD1-CD2 4.29Å; Y415-L451 HydrophobicContact CD2-CD2 4.25Å; Y415-L451 HydrophobicContact CE2-CD2 3.68Å; L416-L451 HydrophobicContact CD2-CD2 3.68Å; L419-L451 HydrophobicContact CD1-CD1 3.92Å; L419-L451 HydrophobicContact CD1-CD2 3.65Å; L419-L451 HydrophobicContact CD1-CG 3.94Å; V435-L451 HydrophobicContact CG1-CD1 4.2Å; V448-L451 HydrophobicContact CB-CB 4.48Å; V448-L451 HydrophobicContact CG1-CB 4.28Å; V448-L451 HydrophobicContact CG1-CD1 3.86Å; V448-L451 HydrophobicContact CG1-CG 4.21Å; V448-L451 VanDerWaalsContact O-CA 3.29Å; V448-L451 WeakPolarHBondContact O-CA 3.13Å; V448-L451 VanDerWaalsContact O-CB 3.23Å; V448-L451 WeakPolarHBondContact O-CB 3.26Å; V448-L451 PolarHBondContact O-N 2.89Å
452T95.2Very high95.1Very high25 Ų2539.5 Ų39.515%0.15321%0.214CC..EExtended strand (participates in β ladder)trans-165.1166.8-170.5-161.10000113.5I375 P377 F389 V448I375-T452 HydrophobicContact CG1-CG2 4.45Å; P377-T452 HydrophobicContact CB-CG2 4.05Å; F389-T452 HydrophobicContact CD1-CG2 4.48Å; F389-T452 HydrophobicContact CE1-CG2 3.46Å; F389-T452 VanDerWaalsContact CE1-CG2 3.46Å; F389-T452 HydrophobicContact CZ-CG2 3.48Å; F389-T452 VanDerWaalsContact CZ-CG2 3.48Å; V448-T452 PolarHBondContact N-O 3.25Å; V448-T452 PolarHBondContact O-N 2.69Å
453N96Very high95.3Very high24 Ų2435.8 Ų35.813%0.12819%0.191CC..EExtended strand (participates in β ladder)trans-95.7163.3165.9-70.719.1000110.6A352 T353 H354 L378A352-N453 WeakPolarHBondContact CB-ND2 3.21Å; A352-N453 WeakPolarHBondContact CB-OD1 3.29Å; T353-N453 PolarHBondContact N-ND2 3.44Å; T353-N453 PolarHBondContact O-ND2 2.73Å; T353-N453 VanDerWaalsContact O-ND2 3.08Å; H354-N453 PolarHBondContact CE1-ND2 3.03Å; H354-N453 VanDerWaalsContact CE1-ND2 3.32Å; L378-N453 WeakPolarHBondContact CB-O 3.39Å; L378-N453 PolarHBondContact N-O 2.86Å
454S95.2Very high95.5Very high2 Ų234.6 Ų34.61%0.01418%0.176CC..BIsolated β-bridgetrans-77.5134.1171.4-176.90000111.4H376 V445 I446 H456 T457H376-S454 CarbonylContact O-C 3.07Å; H376-S454 VanDerWaalsContact O-CA 3.31Å; H376-S454 WeakPolarHBondContact O-CA 3.46Å; V445-S454 VanDerWaalsContact O-CB 3.28Å; V445-S454 WeakPolarHBondContact O-CB 3.31Å; V445-S454 PolarHBondContact O-OG 2.9Å; I446-S454 VanDerWaalsContact O-CB 3.26Å; I446-S454 WeakPolarHBondContact O-CB 3.42Å; I446-S454 PolarHBondContact O-N 2.78Å; S454-H456 PolarHBondContact O-N 2.98Å; S454-H456 PolarHBondContact OG-N 3.24Å; S454-T457 PolarHBondContact O-N 3.26Å; S454-T457 VanDerWaalsContact O-N 3.1Å; S454-T457 PolarHBondContact O-OG1 3.03Å
455H94.9Very high95.6Very high69 Ų6934.1 Ų34.132%0.31917%0.172SC..G310 helixtrans-57.1-31.2174.2-174.482.3000112.2H376 T457 R458H376-H455 HydrophobicContact CB-CB 4.22Å; H376-H455 AromaticContact CE1-CD2 3.51Å; H376-H455 AromaticContact CE1-CG 3.76Å; H376-H455 AromaticContact ND1-CD2 3.83Å; H376-H455 AromaticContact ND1-CG 3.98Å; H376-H455 PolarHBondContact O-N 3.34Å; H455-T457 PolarHBondContact O-N 3.1Å; H455-T457 VanDerWaalsContact O-N 3.15Å; H455-R458 VanDerWaalsContact O-CB 3.27Å; H455-R458 WeakPolarHBondContact O-CB 3.18Å; H455-R458 PolarHBondContact O-N 3.36Å
456H92.7Very high95.7Very high92 Ų9233.6 Ų33.643%0.42617%0.168SC..G310 helixtrans-61.3-22.2178.5-63.2174.6000113.7L358 H376 S454L358-H456 WeakPolarHBondContact CD1-O 3.43Å; H376-H456 AromaticContact ND1-CD2 3.52Å; H376-H456 AromaticContact ND1-NE2 3.47Å; H376-H456 PolarHBondContact ND1-NE2 3.3Å; S454-H456 PolarHBondContact O-N 2.98Å; S454-H456 PolarHBondContact OG-N 3.24Å
457T95.3Very high95.7Very high2 Ų233.6 Ų33.61%0.01217%0.168CC..G310 helixtrans-111.516.9-175.960.60000112.3H354 D355 I359 I446 S454 H455H354-T457 WeakPolarHBondContact CA-O 3.43Å; H354-T457 PolarHBondContact ND1-OG1 3.31Å; D355-T457 PolarHBondContact N-O 3.32Å; I359-T457 HydrophobicContact CD1-CG2 4.23Å; I359-T457 HydrophobicContact CG1-CG2 3.87Å; I446-T457 HydrophobicContact CB-CG2 4.12Å; I446-T457 HydrophobicContact CG2-CG2 3.91Å; S454-T457 PolarHBondContact O-N 3.26Å; S454-T457 VanDerWaalsContact O-N 3.1Å; S454-T457 PolarHBondContact O-OG1 3.03Å; H455-T457 PolarHBondContact O-N 3.1Å; H455-T457 VanDerWaalsContact O-N 3.15Å
458R95.4Very high95.8Very high112 Ų11233.5 Ų33.542%0.42317%0.168SC..  trans-65.4137.4-174.7-179.6178.5-176.5-175.13.4111.3L378 H455L378-R458 HydrophobicContact CD1-CB 3.81Å; L378-R458 HydrophobicContact CD1-CG 3.74Å; H455-R458 VanDerWaalsContact O-CB 3.27Å; H455-R458 WeakPolarHBondContact O-CB 3.18Å; H455-R458 PolarHBondContact O-N 3.36Å
459L96.4Very high95.8Very high9 Ų933.7 Ų33.75%0.04717%0.169CC..  trans-66.6138.3172.7-54.3-179.9000111.9L328 F331 T353 H354 D355 T463 I466L328-L459 HydrophobicContact CD1-CB 4.08Å; F331-L459 HydrophobicContact CD1-CD1 3.91Å; F331-L459 HydrophobicContact CE1-CD1 3.59Å; T353-L459 WeakPolarHBondContact OG1-CD1 3.44Å; H354-L459 VanDerWaalsContact C-CD2 3.49Å; D355-L459 HydrophobicContact CB-CD2 4.5Å; L459-T463 HydrophobicContact CD2-CG2 3.72Å; L459-I466 HydrophobicContact CD1-CD1 4.45Å; L459-I466 HydrophobicContact CD2-CD1 4.42Å; L459-I466 HydrophobicContact CD2-CG1 4.15Å; L459-I466 HydrophobicContact CD2-CG2 4.38Å
460T95.3Very high95.9Very high61 Ų6133.5 Ų33.537%0.37417%0.168SC..  trans-125.5173.8171.972.30000109.7N462 T463T460-N462 PolarHBondContact O-N 3.43Å; T460-N462 PolarHBondContact OG1-N 3.33Å; T460-T463 PolarHBondContact N-OG1 2.84Å; T460-T463 WeakPolarHBondContact O-CB 3.45Å; T460-T463 PolarHBondContact O-N 3.27Å; T460-T463 VanDerWaalsContact O-N 3.09Å; T460-T463 PolarHBondContact O-OG1 3.43Å
461V94.8Very high96.1Very high58 Ų5833.7 Ų33.735%0.35217%0.169SC..THydrogen-bonded Turntrans-63.6-17.7172.9-66.40000112.6E325 L328E325-V461 HydrophobicContact CB-CG1 4.29Å; L328-V461 HydrophobicContact CB-CG1 4.33Å; L328-V461 HydrophobicContact CD2-CG1 4.04Å
462N94.9Very high96.2Very high115 Ų11533.3 Ų33.362%0.61517%0.167SC*.THydrogen-bonded Turntrans-91.31.4177.4-57.8-28000112.6T460 H464T460-N462 PolarHBondContact O-N 3.43Å; T460-N462 PolarHBondContact OG1-N 3.33Å; N462-H464 PolarHBondContact O-CE1 3.14Å; N462-H464 VanDerWaalsContact O-CE1 3.26Å; N462-H464 PolarHBondContact O-N 3.28Å; N462-H464 PolarHBondContact O-ND1 2.91Å
463T96.2Very high96.1Very high0 Ų035.4 Ų35.40%018%0.176CC..  trans-79.2113.6178.5-58.30000109.7D355 L459 T460 N465 I466D355-T463 HydrophobicContact CB-CG2 3.89Å; D355-T463 WeakPolarHBondContact OD2-CB 3.37Å; D355-T463 WeakPolarHBondContact OD2-CG2 3.42Å; D355-T463 PolarHBondContact OD2-OG1 3.13Å; L459-T463 HydrophobicContact CD2-CG2 3.72Å; T460-T463 PolarHBondContact N-OG1 2.84Å; T460-T463 WeakPolarHBondContact O-CB 3.45Å; T460-T463 PolarHBondContact O-N 3.27Å; T460-T463 VanDerWaalsContact O-N 3.09Å; T460-T463 PolarHBondContact O-OG1 3.43Å; T463-N465 WeakPolarHBondContact CG2-O 3.33Å; T463-I466 HydrophobicContact CG2-CG1 3.96Å
464H95.2Very high96.1Very high85 Ų8536.8 Ų36.839%0.39418%0.184SC..  trans-103.6-20.7-179.9-61.683.8000113.6G319 V320 N462G319-H464 PolarHBondContact N-O 2.93Å; G319-H464 VanDerWaalsContact N-O 3.11Å; V320-H464 PolarHBondContact N-O 3.26Å; V320-H464 VanDerWaalsContact O-CA 3.3Å; V320-H464 WeakPolarHBondContact O-CA 3.09Å; N462-H464 PolarHBondContact O-CE1 3.14Å; N462-H464 VanDerWaalsContact O-CE1 3.26Å; N462-H464 PolarHBondContact O-N 3.28Å; N462-H464 PolarHBondContact O-ND1 2.91Å
465N96.4Very high96Very high39 Ų3938.5 Ų38.521%0.20919%0.193CC..EExtended strand (participates in β ladder)trans-126.8123.5-177.9-57.3-28.5000108.5V317 H318 L356 T463V317-N465 CarbonylContact O-C 3.57Å; V317-N465 WeakPolarHBondContact O-CA 3.46Å; H318-N465 WeakPolarHBondContact CA-OD1 3.23Å; H318-N465 WeakPolarHBondContact CB-OD1 3.29Å; L356-N465 HydrophobicContact CB-CB 3.79Å; L356-N465 VanDerWaalsContact CB-O 3.27Å; L356-N465 WeakPolarHBondContact CB-O 3.27Å; L356-N465 HydrophobicContact CD2-CB 3.8Å; L356-N465 HydrophobicContact CG-CB 4.39Å; L356-N465 PolarHBondContact N-O 3.48Å; T463-N465 WeakPolarHBondContact CG2-O 3.33Å
466I97.9Very high96.1Very high0 Ų039.8 Ų39.80%021%0.207CC..EExtended strand (participates in β ladder)trans-116.4130-173.8-59.4-179.7000109.2T316 V317 V320 F322 F331 T353 H354 L459 T463 I468 L489T316-I466 CarbonylContact C-O 3.42Å; T316-I466 WeakPolarHBondContact CA-O 3.28Å; V317-I466 PolarHBondContact N-O 3.09Å; V317-I466 PolarHBondContact O-N 2.81Å; V320-I466 HydrophobicContact CB-CD1 4.26Å; V320-I466 HydrophobicContact CG1-CD1 3.9Å; V320-I466 HydrophobicContact CG2-CD1 4.11Å; V320-I466 HydrophobicContact CG2-CG1 4.32Å; F322-I466 HydrophobicContact CE2-CD1 3.95Å; F322-I466 HydrophobicContact CZ-CD1 3.97Å; F331-I466 HydrophobicContact CE1-CD1 4.31Å; T353-I466 HydrophobicContact CG2-CG2 4.5Å; H354-I466 WeakPolarHBondContact O-CA 3.26Å; L459-I466 HydrophobicContact CD1-CD1 4.45Å; L459-I466 HydrophobicContact CD2-CD1 4.42Å; L459-I466 HydrophobicContact CD2-CG1 4.15Å; L459-I466 HydrophobicContact CD2-CG2 4.38Å; T463-I466 HydrophobicContact CG2-CG1 3.96Å; I466-I468 HydrophobicContact CG2-CG1 4.11Å; I466-L489 HydrophobicContact CD1-CD2 4.22Å
467L98.2Very high96.1Very high0 Ų036.6 Ų36.60%019%0.193CC..EExtended strand (participates in β ladder)trans-84.2123.8159.9171.568000108.4A314 T316 T353 H354 L356 I359 F361 L363 I446 I544A314-L467 HydrophobicContact CB-CD1 4.29Å; T316-L467 HydrophobicContact CG2-CD1 4.29Å; T353-L467 WeakPolarHBondContact CA-O 3.49Å; H354-L467 HydrophobicContact CB-CB 4.19Å; H354-L467 PolarHBondContact N-O 2.92Å; H354-L467 PolarHBondContact O-N 3.29Å; L356-L467 HydrophobicContact CD1-CB 4.19Å; I359-L467 HydrophobicContact CD1-CB 4.3Å; I359-L467 HydrophobicContact CD1-CD2 3.55Å; F361-L467 HydrophobicContact CZ-CD1 4.27Å; L363-L467 HydrophobicContact CD1-CD2 3.87Å; I446-L467 HydrophobicContact CD1-CD2 4.2Å; L467-I544 HydrophobicContact CD1-CD1 3.29Å
468I98.4Very high96.3Very high0 Ų036.5 Ų36.50%019%0.192CC..EExtended strand (participates in β ladder)trans-102.9123.1169.8-61.5174.4000107.1A314 C315 V317 L351 I466 V470 A482 V485 I486 L489A314-I468 CarbonylContact C-O 3.5Å; A314-I468 WeakPolarHBondContact CA-O 3.42Å; A314-I468 WeakPolarHBondContact CB-O 3.38Å; C315-I468 PolarHBondContact N-O 2.92Å; C315-I468 PolarHBondContact O-N 3.29Å; V317-I468 HydrophobicContact CG2-CD1 3.53Å; V317-I468 HydrophobicContact CG2-CG1 4.25Å; L351-I468 HydrophobicContact CD1-CG2 3.86Å; I466-I468 HydrophobicContact CG2-CG1 4.11Å; I468-V470 HydrophobicContact CG2-CG2 4.44Å; I468-A482 HydrophobicContact CG2-CB 4.41Å; I468-V485 HydrophobicContact CD1-CB 4.25Å; I468-V485 HydrophobicContact CD1-CG1 3.65Å; I468-V485 HydrophobicContact CG1-CG1 4.24Å; I468-I486 HydrophobicContact CD1-CG1 3.88Å; I468-L489 HydrophobicContact CD1-CD1 4Å
469E97.8Very high96.3Very high4 Ų432.4 Ų32.42%0.01918%0.178CC..EExtended strand (participates in β ladder)trans-123.2139.2169.166.1171.1-14300110.4V313 A314 A352 H354 S447V313-E469 WeakPolarHBondContact O-CA 3.44Å; A314-E469 HydrophobicContact CB-CB 4.21Å; A352-E469 HydrophobicContact CB-CG 3.52Å; A352-E469 VanDerWaalsContact CB-OE1 3.27Å; A352-E469 WeakPolarHBondContact CB-OE1 3.39Å; A352-E469 PolarHBondContact N-O 3.48Å; A352-E469 WeakPolarHBondContact O-CG 3.43Å; A352-E469 PolarHBondContact O-N 2.72Å; H354-E469 IonicContact NE2-OE1 3.57Å; H354-E469 IonicContact NE2-OE2 2.73Å; S447-E469 WeakPolarHBondContact CB-OE1 3.47Å; S447-E469 PolarHBondContact OG-OE1 2.99Å
470V98.5Very high96.3Very high0 Ų037.1 Ų37.10%020%0.199CC..EExtended strand (participates in β ladder)trans-131.4118.6173.7-175.20000109.1I312 V313 A349 T350 L351 I468 C478 F481 A482I312-V470 CarbonylContact C-O 3.57Å; I312-V470 WeakPolarHBondContact CA-O 3.5Å; V313-V470 HydrophobicContact CG2-CB 3.98Å; V313-V470 PolarHBondContact N-O 2.97Å; V313-V470 PolarHBondContact O-N 3.43Å; A349-V470 HydrophobicContact CB-CG1 4.29Å; T350-V470 WeakPolarHBondContact O-CA 3.39Å; L351-V470 HydrophobicContact CD1-CG2 3.91Å; I468-V470 HydrophobicContact CG2-CG2 4.44Å; V470-C478 HydrophobicContact CB-CB 4.33Å; V470-C478 HydrophobicContact CG1-CB 4.01Å; V470-F481 HydrophobicContact CG1-CB 4.01Å; V470-F481 HydrophobicContact CG1-CD1 3.89Å; V470-F481 HydrophobicContact CG1-CG 4.18Å; V470-F481 HydrophobicContact CG2-CB 4.35Å; V470-F481 HydrophobicContact CG2-CG 4.46Å; V470-A482 HydrophobicContact CG2-CB 4Å
471S97.9Very high96.4Very high3 Ų334.2 Ų34.22%0.02118%0.181CC..EExtended strand (participates in β ladder)trans-106.1147.5172.161.30000111Y311 A349 T350 P449Y311-S471 CarbonylContact O-C 3.46Å; Y311-S471 WeakPolarHBondContact O-CA 3.32Å; A349-S471 CarbonylContact C-O 3.57Å; A349-S471 WeakPolarHBondContact CA-O 3.4Å; T350-S471 PolarHBondContact N-O 2.87Å; T350-S471 PolarHBondContact O-N 3.31Å; P449-S471 WeakPolarHBondContact CB-OG 3.47Å
472G96.8Very high96.6Very high0 Ų031.4 Ų31.40%017%0.165CC..EExtended strand (participates in β ladder)trans-172.5-174.2-174.700000115.5P310 Y311 H348 C478P310-G472 WeakPolarHBondContact CD-O 3.4Å; Y311-G472 PolarHBondContact N-O 2.89Å; Y311-G472 PolarHBondContact O-N 3.27Å; H348-G472 CarbonylContact O-C 3.53Å; H348-G472 WeakPolarHBondContact O-CA 3.27Å; G472-C478 VanDerWaalsContact CA-SG 3.6Å; G472-C478 PolarHBondContact N-SG 3.33Å; G472-C478 VanDerWaalsContact N-SG 3.42Å
473I94.7Very high96.7Very high68 Ų6828.2 Ų28.235%0.34915%0.146SC..SBendtrans-86.1-16.4-175.964.2171000114.2Y311 H348Y311-I473 VanDerWaalsContact CD2-C 3.44Å; Y311-I473 WeakPolarHBondContact CD2-O 3.34Å; Y311-I473 WeakPolarHBondContact CE2-O 3.26Å; H348-I473 HydrophobicContact CB-CD1 3.89Å; H348-I473 HydrophobicContact CB-CG1 4.14Å; H348-I473 PolarHBondContact O-N 3.45Å
474N94.5Very high96.7Very high53 Ų5330.4 Ų30.428%0.28316%0.159SC..SBendtrans-153.3154.1173.966.970.3000110.8P476 L477 C478N474-P476 WeakPolarHBondContact OD1-CD 3.46Å; N474-L477 WeakPolarHBondContact OD1-CB 3.44Å; N474-L477 PolarHBondContact OD1-N 2.96Å; N474-C478 PolarHBondContact O-N 2.89Å; N474-C478 PolarHBondContact O-SG 3.47Å
475L94.1Very high96.8Very high39 Ų3926.3 Ų26.320%0.20414%0.14CC..Hα-helixtrans-67.9-45-173.9-179.264.5000114.6Y311 V313 L477 C478 K479 V557Y311-L475 HydrophobicContact CD1-CB 3.88Å; Y311-L475 HydrophobicContact CE1-CB 4.33Å; Y311-L475 HydrophobicContact CG-CB 4.4Å; V313-L475 HydrophobicContact CG1-CD1 3.35Å; L475-L477 VanDerWaalsContact C-N 3.31Å; L475-L477 PolarHBondContact O-N 2.81Å; L475-C478 WeakPolarHBondContact O-CB 3.28Å; L475-C478 PolarHBondContact O-N 2.65Å; L475-C478 VanDerWaalsContact O-N 3.11Å; L475-K479 HydrophobicContact CD1-CG 4.37Å; L475-K479 HydrophobicContact CG-CD 4.45Å; L475-K479 PolarHBondContact O-N 3.42Å; L475-V557 HydrophobicContact CD1-CB 4.27Å; L475-V557 HydrophobicContact CD1-CG1 4.32Å; L475-V557 HydrophobicContact CD1-CG2 3.86Å; L475-V557 HydrophobicContact CD2-CB 4.45Å; L475-V557 HydrophobicContact CD2-CG2 4.16Å
476P95.7Very high96.8Very high96 Ų9624.5 Ų24.562%0.62313%0.131SC*.Hα-helixtrans-58.4-40.4179.9-26.936.1000113.3N474 C478 K479 Q480N474-P476 WeakPolarHBondContact OD1-CD 3.46Å; P476-C478 PolarHBondContact O-N 3.22Å; P476-K479 PolarHBondContact O-N 3.29Å; P476-Q480 WeakPolarHBondContact O-CB 3.12Å; P476-Q480 PolarHBondContact O-N 3.07Å
477L94.7Very high96.7Very high24 Ų2425.1 Ų25.113%0.12614%0.136CC..Hα-helixtrans-62.2-42.9175.8177.663.4000111.7I342 H348 A349 N474 L475 K479 Q480 F481I342-L477 HydrophobicContact CG2-CD1 3.96Å; H348-L477 HydrophobicContact CB-CD2 3.54Å; A349-L477 HydrophobicContact CB-CD2 3.83Å; A349-L477 HydrophobicContact CB-CG 4.04Å; N474-L477 WeakPolarHBondContact OD1-CB 3.44Å; N474-L477 PolarHBondContact OD1-N 2.96Å; L475-L477 VanDerWaalsContact C-N 3.31Å; L475-L477 PolarHBondContact O-N 2.81Å; L477-K479 VanDerWaalsContact C-N 3.34Å; L477-K479 PolarHBondContact O-N 3.13Å; L477-Q480 PolarHBondContact O-N 3.07Å; L477-F481 WeakPolarHBondContact O-CB 3.32Å; L477-F481 PolarHBondContact O-N 3.1Å
478C97.6Very high96.5Very high0 Ų027 Ų270%014%0.143CC..Hα-helixtrans-61.6-44.1178.4-64.30000111.5V313 V470 G472 N474 L475 P476 F481 A482V313-C478 HydrophobicContact CG1-CB 4.04Å; V313-C478 HydrophobicContact CG2-CB 3.8Å; V470-C478 HydrophobicContact CB-CB 4.33Å; V470-C478 HydrophobicContact CG1-CB 4.01Å; G472-C478 VanDerWaalsContact CA-SG 3.6Å; G472-C478 PolarHBondContact N-SG 3.33Å; G472-C478 VanDerWaalsContact N-SG 3.42Å; N474-C478 PolarHBondContact O-N 2.89Å; N474-C478 PolarHBondContact O-SG 3.47Å; L475-C478 WeakPolarHBondContact O-CB 3.28Å; L475-C478 PolarHBondContact O-N 2.65Å; L475-C478 VanDerWaalsContact O-N 3.11Å; P476-C478 PolarHBondContact O-N 3.22Å; C478-F481 PolarHBondContact O-N 3.11Å; C478-A482 PolarHBondContact O-N 2.96Å
479K97.1Very high96.4Very high27 Ų2727 Ų2712%0.11714%0.143CC..Hα-helixtrans-61.8-52.5176-69.8-175.4158.6-141.40111.6V313 L475 P476 L477 F481 A482 E483 F559 D564V313-K479 HydrophobicContact CG1-CG 4.13Å; L475-K479 HydrophobicContact CD1-CG 4.37Å; L475-K479 HydrophobicContact CG-CD 4.45Å; L475-K479 PolarHBondContact O-N 3.42Å; P476-K479 PolarHBondContact O-N 3.29Å; L477-K479 VanDerWaalsContact C-N 3.34Å; L477-K479 PolarHBondContact O-N 3.13Å; K479-F481 VanDerWaalsContact C-N 3.26Å; K479-F481 PolarHBondContact O-N 2.95Å; K479-A482 PolarHBondContact O-N 2.77Å; K479-E483 WeakPolarHBondContact O-CG 3.34Å; K479-E483 PolarHBondContact O-N 3.36Å; K479-F559 HydrophobicContact CB-CD2 4.26Å; K479-F559 HydrophobicContact CB-CE2 4.1Å; K479-F559 HydrophobicContact CD-CD2 4.39Å; K479-F559 HydrophobicContact CG-CD2 3.84Å; K479-F559 HydrophobicContact CG-CE2 4.2Å; K479-D564 WeakPolarHBondContact CD-OD1 3.4Å; K479-D564 IonicContact NZ-OD1 3.47Å; K479-D564 PolarHBondContact NZ-OD1 3.18Å; K479-D564 IonicContact NZ-OD2 3.6Å; K479-D564 PolarHBondContact NZ-OD2 3.44Å
480Q95.9Very high96.2Very high107 Ų10727.1 Ų27.150%0.514%0.144SC..Hα-helixtrans-55.1-42.8178.3-177.1-172.1-3.100111.9P476 L477 E483 V484P476-Q480 WeakPolarHBondContact O-CB 3.12Å; P476-Q480 PolarHBondContact O-N 3.07Å; L477-Q480 PolarHBondContact O-N 3.07Å; Q480-E483 PolarHBondContact O-N 3.14Å; Q480-V484 WeakPolarHBondContact O-CG2 3.06Å; Q480-V484 PolarHBondContact O-N 3.49Å; Q480-V484 VanDerWaalsContact O-N 3.09Å
481F97.6Very high95.8Very high0 Ų033.5 Ų33.50%017%0.174CC..Hα-helixtrans-64.3-45.8178.4-161.7166.7000110.5W338 H339 I342 A349 L351 V470 L477 C478 K479 E483 V484 V485W338-F481 HydrophobicContact CB-CD2 4.24Å; W338-F481 HydrophobicContact CB-CE2 3.28Å; W338-F481 HydrophobicContact CB-CZ 3.67Å; W338-F481 HydrophobicContact CD2-CE2 4.49Å; W338-F481 HydrophobicContact CE3-CE2 4.4Å; W338-F481 HydrophobicContact CG-CE2 4.11Å; H339-F481 AromaticContact CD2-CZ 3.84Å; I342-F481 HydrophobicContact CB-CD1 4.46Å; I342-F481 HydrophobicContact CB-CD2 4.42Å; I342-F481 HydrophobicContact CB-CG 4.36Å; I342-F481 HydrophobicContact CD1-CD2 4.34Å; I342-F481 HydrophobicContact CG2-CB 3.82Å; I342-F481 HydrophobicContact CG2-CD1 3.95Å; I342-F481 HydrophobicContact CG2-CD2 4.18Å; I342-F481 HydrophobicContact CG2-CG 3.73Å; A349-F481 HydrophobicContact CB-CD1 3.84Å; A349-F481 HydrophobicContact CB-CE1 4.3Å; L351-F481 HydrophobicContact CB-CD2 4.4Å; L351-F481 HydrophobicContact CB-CE1 3.9Å; L351-F481 HydrophobicContact CB-CE2 3.7Å; L351-F481 HydrophobicContact CB-CZ 3.44Å; L351-F481 VanDerWaalsContact CB-CZ 3.44Å; L351-F481 HydrophobicContact CD2-CE2 3.85Å; L351-F481 HydrophobicContact CD2-CZ 4.27Å; L351-F481 HydrophobicContact CG-CE2 4.34Å; L351-F481 HydrophobicContact CG-CZ 4.48Å; V470-F481 HydrophobicContact CG1-CB 4.01Å; V470-F481 HydrophobicContact CG1-CD1 3.89Å; V470-F481 HydrophobicContact CG1-CG 4.18Å; V470-F481 HydrophobicContact CG2-CB 4.35Å; V470-F481 HydrophobicContact CG2-CG 4.46Å; L477-F481 WeakPolarHBondContact O-CB 3.32Å; L477-F481 PolarHBondContact O-N 3.1Å; C478-F481 PolarHBondContact O-N 3.11Å; K479-F481 VanDerWaalsContact C-N 3.26Å; K479-F481 PolarHBondContact O-N 2.95Å; F481-E483 VanDerWaalsContact C-N 3.33Å; F481-E483 PolarHBondContact O-N 3.04Å; F481-V484 PolarHBondContact O-N 2.98Å; F481-V485 HydrophobicContact CD2-CG2 4.25Å; F481-V485 HydrophobicContact CE2-CG2 4.38Å; F481-V485 WeakPolarHBondContact O-CG2 2.87Å; F481-V485 PolarHBondContact O-N 3.43Å
482A98Very high95.5Very high0 Ų035.8 Ų35.80%019%0.186CC..Hα-helixtrans-60.6-40.5176.100000112.5V313 I468 V470 C478 K479 V484 V485 I486 F559V313-A482 HydrophobicContact CG2-CB 4.26Å; I468-A482 HydrophobicContact CG2-CB 4.41Å; V470-A482 HydrophobicContact CG2-CB 4Å; C478-A482 PolarHBondContact O-N 2.96Å; K479-A482 PolarHBondContact O-N 2.77Å; A482-V484 PolarHBondContact O-N 3.39Å; A482-V485 PolarHBondContact O-N 2.75Å; A482-I486 WeakPolarHBondContact O-CG1 3.41Å; A482-I486 PolarHBondContact O-N 3.04Å; A482-F559 HydrophobicContact CB-CD1 4.19Å; A482-F559 HydrophobicContact CB-CE1 3.39Å; A482-F559 HydrophobicContact CB-CE2 4.4Å; A482-F559 HydrophobicContact CB-CZ 3.51Å
483E96.9Very high95.3Very high47 Ų4735.9 Ų35.922%0.2219%0.187CC..Hα-helixtrans-61.3-39.7175.9-68.2-172.9151.800113.1K479 Q480 F481 V485 I486 A487 F559 L565 F570K479-E483 WeakPolarHBondContact O-CG 3.34Å; K479-E483 PolarHBondContact O-N 3.36Å; Q480-E483 PolarHBondContact O-N 3.14Å; F481-E483 VanDerWaalsContact C-N 3.33Å; F481-E483 PolarHBondContact O-N 3.04Å; E483-V485 VanDerWaalsContact C-N 3.33Å; E483-V485 PolarHBondContact O-N 3.18Å; E483-I486 PolarHBondContact O-N 3.26Å; E483-A487 WeakPolarHBondContact O-CB 3.4Å; E483-A487 PolarHBondContact O-N 3.47Å; E483-F559 HydrophobicContact CG-CE2 4.15Å; E483-F559 HydrophobicContact CG-CZ 4.03Å; E483-L565 HydrophobicContact CB-CD2 4.27Å; E483-L565 HydrophobicContact CG-CD2 3.82Å; E483-L565 PolarHBondContact OE1-N 3.49Å; E483-F570 HydrophobicContact CB-CZ 4.27Å
484V96.4Very high95Very high46 Ų4633.4 Ų33.428%0.27918%0.175SC..Hα-helixtrans-64.9-37.7176.6170.70000111.6W338 I342 Q480 F481 A482 A487 W488W338-V484 HydrophobicContact CD2-CG1 4.26Å; W338-V484 HydrophobicContact CG-CG1 4.37Å; W338-V484 HydrophobicContact CZ2-CG1 4.13Å; I342-V484 HydrophobicContact CD1-CB 3.92Å; I342-V484 HydrophobicContact CD1-CG1 3.77Å; I342-V484 HydrophobicContact CD1-CG2 3.8Å; Q480-V484 WeakPolarHBondContact O-CG2 3.06Å; Q480-V484 PolarHBondContact O-N 3.49Å; Q480-V484 VanDerWaalsContact O-N 3.09Å; F481-V484 PolarHBondContact O-N 2.98Å; A482-V484 PolarHBondContact O-N 3.39Å; V484-A487 PolarHBondContact O-N 3.17Å; V484-W488 PolarHBondContact O-N 2.87Å; V484-W488 VanDerWaalsContact O-N 3.11Å
485V97.5Very high94.4Very high0 Ų031.9 Ų31.90%017%0.168CC..Hα-helixtrans-65.8-44.9176.2-179.20000110.5F331 W338 L351 I468 F481 A482 E483 W488 L489F331-V485 HydrophobicContact CE2-CG1 4.05Å; F331-V485 HydrophobicContact CZ-CG1 4.02Å; W338-V485 HydrophobicContact CE3-CG2 3.79Å; W338-V485 HydrophobicContact CH2-CG2 4.45Å; W338-V485 HydrophobicContact CZ3-CB 4.19Å; W338-V485 HydrophobicContact CZ3-CG1 4.17Å; W338-V485 HydrophobicContact CZ3-CG2 3.7Å; L351-V485 HydrophobicContact CD1-CG2 3.81Å; L351-V485 HydrophobicContact CD2-CG2 3.52Å; L351-V485 HydrophobicContact CG-CG2 4.3Å; I468-V485 HydrophobicContact CD1-CB 4.25Å; I468-V485 HydrophobicContact CD1-CG1 3.65Å; I468-V485 HydrophobicContact CG1-CG1 4.24Å; F481-V485 HydrophobicContact CD2-CG2 4.25Å; F481-V485 HydrophobicContact CE2-CG2 4.38Å; F481-V485 WeakPolarHBondContact O-CG2 2.87Å; F481-V485 PolarHBondContact O-N 3.43Å; A482-V485 PolarHBondContact O-N 2.75Å; E483-V485 VanDerWaalsContact C-N 3.33Å; E483-V485 PolarHBondContact O-N 3.18Å; V485-W488 PolarHBondContact O-N 3.31Å; V485-L489 HydrophobicContact CG1-CD1 4.33Å; V485-L489 WeakPolarHBondContact O-CG 3.15Å; V485-L489 PolarHBondContact O-N 3.22Å
486I96.9Very high93.3Very high0 Ų038 Ų380%020%0.195CC..Hα-helixtrans-62.5-43.2178-69.2168.7000110.8I285 V317 I468 A482 E483 W488 L489 L490 V541 F559 L565 F570I285-I486 HydrophobicContact CD1-CG2 3.27Å; I285-I486 HydrophobicContact CG1-CG2 4.48Å; V317-I486 HydrophobicContact CG2-CG1 4.32Å; I468-I486 HydrophobicContact CD1-CG1 3.88Å; A482-I486 WeakPolarHBondContact O-CG1 3.41Å; A482-I486 PolarHBondContact O-N 3.04Å; E483-I486 PolarHBondContact O-N 3.26Å; I486-W488 VanDerWaalsContact C-N 3.32Å; I486-W488 PolarHBondContact O-N 2.86Å; I486-L489 PolarHBondContact O-N 3.14Å; I486-L490 WeakPolarHBondContact O-CB 3.34Å; I486-L490 PolarHBondContact O-N 3.13Å; I486-V541 HydrophobicContact CD1-CG1 4.43Å; I486-V541 HydrophobicContact CG2-CG2 4.45Å; I486-F559 HydrophobicContact CD1-CE1 3.96Å; I486-F559 HydrophobicContact CD1-CZ 4.16Å; I486-L565 HydrophobicContact CB-CD2 4.44Å; I486-L565 HydrophobicContact CD1-CD1 4.05Å; I486-L565 HydrophobicContact CD1-CD2 4.11Å; I486-L565 HydrophobicContact CG2-CD1 4.48Å; I486-L565 HydrophobicContact CG2-CD2 4.08Å; I486-F570 HydrophobicContact CG2-CE1 4.37Å
487A94.7Very high91.5Very high14 Ų1437.2 Ų37.212%0.11619%0.189CC..Hα-helixtrans-57.7-45.5175.600000111.5E483 V484 L489 L490 E491 F570E483-A487 WeakPolarHBondContact O-CB 3.4Å; E483-A487 PolarHBondContact O-N 3.47Å; V484-A487 PolarHBondContact O-N 3.17Å; A487-L489 PolarHBondContact O-N 3.11Å; A487-L490 WeakPolarHBondContact O-CB 3.33Å; A487-L490 PolarHBondContact O-N 3.13Å; A487-E491 WeakPolarHBondContact O-CG 3.39Å; A487-E491 PolarHBondContact O-N 3.12Å; A487-F570 HydrophobicContact CB-CE1 3.75Å; A487-F570 HydrophobicContact CB-CZ 4.32Å
488W96.1Very high89.1Confident38 Ų3846.9 Ų46.914%0.14422%0.224CC..Hα-helixtrans-63.4-43.1178.9-170.496000112.4F322 A330 F331 W338 V484 V485 I486 L490 E491 N492F322-W488 HydrophobicContact CE1-CZ3 4.21Å; A330-W488 HydrophobicContact CB-CZ2 4.24Å; F331-W488 VanDerWaalsContact CA-CH2 3.46Å; F331-W488 HydrophobicContact CB-CE3 4.36Å; F331-W488 HydrophobicContact CB-CH2 3.43Å; F331-W488 VanDerWaalsContact CB-CH2 3.43Å; F331-W488 HydrophobicContact CB-CZ2 4.17Å; F331-W488 HydrophobicContact CB-CZ3 3.54Å; F331-W488 AromaticContact CD2-CD2 3.91Å; F331-W488 HydrophobicContact CD2-CD2 3.91Å; F331-W488 AromaticContact CD2-CE3 3.25Å; F331-W488 HydrophobicContact CD2-CE3 3.25Å; F331-W488 AromaticContact CD2-CH2 3.95Å; F331-W488 HydrophobicContact CD2-CH2 3.95Å; F331-W488 HydrophobicContact CD2-CZ2 4.48Å; F331-W488 AromaticContact CD2-CZ3 3.3Å; F331-W488 HydrophobicContact CD2-CZ3 3.3Å; F331-W488 AromaticContact CE2-CE3 3.83Å; F331-W488 HydrophobicContact CE2-CE3 3.83Å; F331-W488 HydrophobicContact CE2-CZ3 4.2Å; F331-W488 HydrophobicContact CG-CE3 4.13Å; F331-W488 HydrophobicContact CG-CH2 4.1Å; F331-W488 AromaticContact CG-CZ3 3.69Å; F331-W488 HydrophobicContact CG-CZ3 3.69Å; W338-W488 HydrophobicContact CH2-CB 3.45Å; W338-W488 VanDerWaalsContact CH2-CB 3.45Å; W338-W488 AromaticContact CH2-CD1 3.95Å; W338-W488 HydrophobicContact CH2-CD2 4.16Å; W338-W488 AromaticContact CH2-CG 3.54Å; W338-W488 HydrophobicContact CH2-CG 3.54Å; W338-W488 HydrophobicContact CZ2-CB 3.51Å; W338-W488 AromaticContact CZ2-CD1 3.61Å; W338-W488 AromaticContact CZ2-CG 3.6Å; W338-W488 HydrophobicContact CZ2-CG 3.6Å; V484-W488 PolarHBondContact O-N 2.87Å; V484-W488 VanDerWaalsContact O-N 3.11Å; V485-W488 PolarHBondContact O-N 3.31Å; I486-W488 VanDerWaalsContact C-N 3.32Å; I486-W488 PolarHBondContact O-N 2.86Å; W488-L490 VanDerWaalsContact C-N 3.33Å; W488-E491 PolarHBondContact O-N 3.31Å; W488-N492 HydrophobicContact CD2-CB 4.15Å; W488-N492 HydrophobicContact CE3-CB 4Å; W488-N492 HydrophobicContact CH2-CB 3.72Å; W488-N492 HydrophobicContact CZ2-CB 3.89Å; W488-N492 HydrophobicContact CZ3-CB 3.77Å; W488-N492 VanDerWaalsContact O-CB 3.32Å; W488-N492 WeakPolarHBondContact O-CB 3.33Å; W488-N492 PolarHBondContact O-N 3.13Å; W488-N492 PolarHBondContact O-ND2 2.88Å; W488-N492 VanDerWaalsContact O-ND2 3.08Å
489L96Very high86.1Confident0 Ų055.5 Ų55.50%026%0.264CS..Hα-helixtrans-62.4-42.6177.1-72172.6000110.9V317 V320 F322 F331 I466 I468 V485 I486 A487 E491 N492 A493 C494 L539V317-L489 HydrophobicContact CB-CD1 4.42Å; V317-L489 HydrophobicContact CG1-CD1 4.26Å; V317-L489 HydrophobicContact CG2-CD1 4.37Å; V320-L489 HydrophobicContact CG1-CD2 3.99Å; F322-L489 HydrophobicContact CE1-CD2 4.49Å; F322-L489 HydrophobicContact CZ-CD2 4.21Å; F331-L489 HydrophobicContact CD2-CD2 4.25Å; F331-L489 HydrophobicContact CE1-CD2 4.36Å; F331-L489 HydrophobicContact CE2-CD2 3.8Å; F331-L489 HydrophobicContact CE2-CG 4.1Å; F331-L489 HydrophobicContact CZ-CD1 4.45Å; F331-L489 HydrophobicContact CZ-CD2 3.87Å; F331-L489 HydrophobicContact CZ-CG 4.28Å; I466-L489 HydrophobicContact CD1-CD2 4.22Å; I468-L489 HydrophobicContact CD1-CD1 4Å; V485-L489 HydrophobicContact CG1-CD1 4.33Å; V485-L489 WeakPolarHBondContact O-CG 3.15Å; V485-L489 PolarHBondContact O-N 3.22Å; I486-L489 PolarHBondContact O-N 3.14Å; A487-L489 PolarHBondContact O-N 3.11Å; L489-E491 VanDerWaalsContact C-N 3.33Å; L489-E491 PolarHBondContact O-N 3.12Å; L489-N492 PolarHBondContact O-N 3.25Å; L489-A493 HydrophobicContact CD2-CB 4.13Å; L489-A493 CarbonylContact O-C 3.4Å; L489-A493 WeakPolarHBondContact O-CA 3.23Å; L489-A493 PolarHBondContact O-N 3.19Å; L489-C494 PolarHBondContact O-N 3.27Å; L489-L539 HydrophobicContact CB-CD1 3.83Å
490L92.7Very high82.9Confident7 Ų761.1 Ų61.14%0.03730%0.296CS..Hα-helixtrans-59.4-44.1177.1-172.368.7000111.7P283 H284 I285 I486 A487 W488 C494 L539 F570P283-L490 HydrophobicContact CB-CD1 3.78Å; P283-L490 HydrophobicContact CB-CG 4.01Å; P283-L490 HydrophobicContact CG-CD1 4.46Å; P283-L490 HydrophobicContact CG-CG 4.16Å; H284-L490 WeakPolarHBondContact O-CD1 3.44Å; I285-L490 HydrophobicContact CD1-CD2 4.23Å; I285-L490 HydrophobicContact CG1-CD1 3.83Å; I285-L490 HydrophobicContact CG1-CD2 3.98Å; I285-L490 HydrophobicContact CG1-CG 4.42Å; I486-L490 WeakPolarHBondContact O-CB 3.34Å; I486-L490 PolarHBondContact O-N 3.13Å; A487-L490 WeakPolarHBondContact O-CB 3.33Å; A487-L490 PolarHBondContact O-N 3.13Å; W488-L490 VanDerWaalsContact C-N 3.33Å; L490-C494 WeakPolarHBondContact O-CB 3Å; L490-L539 HydrophobicContact CB-CD1 4.37Å; L490-L539 HydrophobicContact CD1-CD1 4.41Å; L490-L539 HydrophobicContact CD1-CG 4.46Å; L490-F570 HydrophobicContact CD2-CD1 4.34Å
491E90.7Very high79.7Confident135 Ų13565.2 Ų65.263%0.63131%0.312SS*.Hα-helixtrans-74.4-33.7-178.7-71.6173.1-171.500113.6A487 W488 L489A487-E491 WeakPolarHBondContact O-CG 3.39Å; A487-E491 PolarHBondContact O-N 3.12Å; W488-E491 PolarHBondContact O-N 3.31Å; L489-E491 VanDerWaalsContact C-N 3.33Å; L489-E491 PolarHBondContact O-N 3.12Å
492N91.9Very high76.6Confident51 Ų5171.8 Ų71.827%0.27336%0.355SS..Hα-helixtrans-116.7-16.8-165.3-69.3-87.8000115.4W488 L489W488-N492 HydrophobicContact CD2-CB 4.15Å; W488-N492 HydrophobicContact CE3-CB 4Å; W488-N492 HydrophobicContact CH2-CB 3.72Å; W488-N492 HydrophobicContact CZ2-CB 3.89Å; W488-N492 HydrophobicContact CZ3-CB 3.77Å; W488-N492 VanDerWaalsContact O-CB 3.32Å; W488-N492 WeakPolarHBondContact O-CB 3.33Å; W488-N492 PolarHBondContact O-N 3.13Å; W488-N492 PolarHBondContact O-ND2 2.88Å; W488-N492 VanDerWaalsContact O-ND2 3.08Å; L489-N492 PolarHBondContact O-N 3.25Å
493A91.8Very high73.4Confident2 Ų276.5 Ų76.52%0.01739%0.387CS..SBendtrans-139.214.5-170.500000113.1V320 E321 F322 L489V320-A493 HydrophobicContact CG1-CB 3.7Å; E321-A493 PolarHBondContact N-O 3.13Å; E321-A493 VanDerWaalsContact O-CA 3.29Å; E321-A493 WeakPolarHBondContact O-CA 3.48Å; E321-A493 WeakPolarHBondContact O-CB 3.5Å; F322-A493 HydrophobicContact CD1-CB 4.32Å; F322-A493 HydrophobicContact CE1-CB 4.12Å; L489-A493 HydrophobicContact CD2-CB 4.13Å; L489-A493 CarbonylContact O-C 3.4Å; L489-A493 WeakPolarHBondContact O-CA 3.23Å; L489-A493 PolarHBondContact O-N 3.19Å
494C88.3Confident70.3Confident16 Ų1681.6 Ų81.611%0.10842%0.416CS..SBendtrans-79.6137.7169.3-171.10000109.8P283 L489 L490 Q496 N537 L539P283-C494 HydrophobicContact CB-CB 4.23Å; L489-C494 PolarHBondContact O-N 3.27Å; L490-C494 WeakPolarHBondContact O-CB 3Å; C494-Q496 PolarHBondContact O-N 3.42Å; C494-N537 PolarHBondContact SG-O 3.07Å; C494-N537 VanDerWaalsContact SG-O 3.34Å; C494-L539 HydrophobicContact CB-CD2 4.47Å; C494-L539 HydrophobicContact CB-CG 4.19Å
495P82Confident67Low20 Ų2089.2 Ų89.213%0.1345%0.445CS..PPolyproline II helixtrans-57.7130.2177.7-23.233.3000110.7G319 E321 N537G319-P495 VanDerWaalsContact O-CD 3.23Å; G319-P495 WeakPolarHBondContact O-CD 3.1Å; G319-P495 VanDerWaalsContact O-CG 3.25Å; G319-P495 WeakPolarHBondContact O-CG 3.39Å; E321-P495 HydrophobicContact CG-CG 4.15Å; P495-N537 WeakPolarHBondContact O-CA 3.46Å
496Q70.6Confident63.9Low167 Ų16794.6 Ų94.678%0.7848%0.48SS*.PPolyproline II helixtrans-97.7128.4174-65.5-153-14.200110.2C494 R498C494-Q496 PolarHBondContact O-N 3.42Å; Q496-R498 PolarHBondContact O-N 2.86Å
497T57.4Low60.6Low81 Ų81101.5 Ų101.550%0.49752%0.517SS..  trans-63.5105.3171.7-2.80000108.7E499 P536T497-E499 PolarHBondContact O-N 3.23Å; T497-P536 HydrophobicContact CG2-CB 4.29Å; T497-P536 HydrophobicContact CG2-CG 4.08Å
498R45.8Very low57.7Low226 Ų226106.5 Ų106.585%0.85355%0.547SS*.  trans-70.9110.5163.2-73.3-176.8177.6179.50.7106.9Q496 N500Q496-R498 PolarHBondContact O-N 2.86Å; R498-N500 VanDerWaalsContact C-N 3.26Å; R498-N500 PolarHBondContact O-N 2.73Å
499E34.6Very low54.6Low181 Ų181113.4 Ų113.485%0.84658%0.581SS**  trans-60.993.5163.4-74.6-171.5162.200108.4T497 K501T497-E499 PolarHBondContact O-N 3.23Å; E499-K501 PolarHBondContact O-N 3.43Å
500N29.4Very low51.2Low146 Ų146121.9 Ų121.978%0.78162%0.62SS**  trans-69.5118.7160-81.4-17.5000106.7R498R498-N500 VanDerWaalsContact C-N 3.26Å; R498-N500 PolarHBondContact O-N 2.73Å
501K27.9Very low48.2Very low192 Ų192128.5 Ų128.584%0.83566%0.66SS**  trans-45.2132.9169.1-75.5178.5175178.90109.4E499 S503E499-K501 PolarHBondContact O-N 3.43Å; K501-S503 PolarHBondContact O-N 2.79Å
502P32.5Very low45.2Very low139 Ų139128.3 Ų128.390%0.90366%0.664SS**  trans-74.1104.8-179.128.4-30.4000109.4
503S32Very low42.2Very low98 Ų98132.2 Ų132.269%0.68569%0.69SS**  trans-125.4132.3155.353.60000107.6K501K501-S503 PolarHBondContact O-N 2.79Å
504D31.9Very low39.2Very low154 Ų154137 Ų13782%0.82473%0.729SS**  trans86.384.6175.9-52.7-24.1000116.6
505K27Very low36.5Very low206 Ų206144 Ų14490%0.89676%0.76SS**  trans-66.1148.7147.4-78.2-176.8174.7-177.80108.8
506P31.6Very low34.1Very low113 Ų113150.7 Ų150.773%0.73479%0.79SS**  -133.3141.7119.122.1-4000112.9
507N28.5Very low32.1Very low145 Ų145148.3 Ų148.378%0.77579%0.792SS**  trans15.1131.2144.6-50.7-17.8000116.5
508T32.8Very low30.8Very low120 Ų120153 Ų15374%0.73681%0.808SS**  -170.5146.267.9110000112.9
509E30.4Very low30.1Very low183 Ų183150.2 Ų150.286%0.85581%0.809SS**  trans79.7104.7141.7-68.4173.7-168.900121.2
510E26.3Very low29.9Very low177 Ų177147.3 Ų147.383%0.82780%0.804SS**  trans-71.3139.4161.9-64.1175.1149.600111.5
511V29.3Very low29.9Very low146 Ų146146.8 Ų146.889%0.88580%0.8SS**  trans-128.3100.6152179.90000107.7
512N26.6Very low30Very low131 Ų131146.7 Ų146.770%0.70180%0.803SS**  trans-79.7137.9156.4-86.5-31.7000108.1
513T30.5Very low30.1Very low134 Ų134146 Ų14682%0.82280%0.796SS**  166.8141.9106.535.30000110.4
514A28.8Very low30.1Very low101 Ų101148.5 Ų148.584%0.83580%0.802SS**  trans-59131.5171.100000111.8
515E31.6Very low30.1Very low163 Ų163152 Ų15276%0.76280%0.804SS**  trans-150.5131.5158.7-106.6178.6-164.200109.9
516Q30Very low30.4Very low161 Ų161150.3 Ų150.375%0.75280%0.796SS**  trans83.588.2150-61.2169.918.500118.7
517S29.6Very low30.5Very low118 Ų118152.5 Ų152.583%0.82580%0.801SS**  trans-69.5123.2135.1-62.10000109.4
518Q30.1Very low30.7Very low180 Ų180150.1 Ų150.184%0.84179%0.791SS**  trans144.4114.9154.7-84.7174.98.900109.4
519L31Very low30.9Very low167 Ų167152.7 Ų152.787%0.87480%0.8SS**  trans154.569.4166.7-86.6161.4000105.4
520V30.7Very low31.5Very low120 Ų120153.3 Ų153.373%0.72780%0.8SS**  29.8107.391.3-168.30000113.4
521D29Very low32.6Very low134 Ų134150.1 Ų150.172%0.71780%0.797SS**SBendtrans59.872.3154.3-60.8-20.2000119.9
522E31.1Very low33.9Very low190 Ų190147.2 Ų147.289%0.88878%0.779SS**  trans-165.937.5155.6-125.5175.5-16800117.2
523V32.8Very low35.6Very low124 Ų124147.1 Ų147.175%0.75278%0.783SS**  trans-145.363.6173.8-161.20000113.4
524D33.4Very low37.5Very low151 Ų151144.3 Ų144.381%0.80776%0.762SS**SBendtrans-98.625.1167.3-119.4-12.6000112.5
525R32Very low39.7Very low229 Ų229140.9 Ų140.986%0.86473%0.732SS**  trans-147.982.8178.2-72.3-174.8177.8179.1-0.7111.4
526K33.3Very low41.8Very low169 Ų169137.7 Ų137.774%0.73573%0.725SS**  trans-170.382.7155.1-102.7172.2-174.3179.10110.3T528K526-T528 HydrophobicContact CB-CG2 4.08Å; K526-T528 HydrophobicContact CD-CG2 4.12Å; K526-T528 HydrophobicContact CG-CG2 3.75Å; K526-T528 PolarHBondContact O-N 3.3Å
527L33.5Very low44.4Very low159 Ų159130.4 Ų130.483%0.83269%0.691SS**  trans-71.474.1151.6-90.1133.9000107.3
528T32.6Very low47.3Very low95 Ų95125.1 Ų125.158%0.58366%0.655SS**  trans-86124.3173.735.20000109.4K526 K530K526-T528 HydrophobicContact CB-CG2 4.08Å; K526-T528 HydrophobicContact CD-CG2 4.12Å; K526-T528 HydrophobicContact CG-CG2 3.75Å; K526-T528 PolarHBondContact O-N 3.3Å; T528-K530 PolarHBondContact O-N 2.62Å
529L37Very low50.3Low175 Ų175116.6 Ų116.692%0.91662%0.615SS**  trans-31108.6164.2-75.5134.8000111S531L529-S531 PolarHBondContact O-N 2.96Å; L529-S531 VanDerWaalsContact O-N 3.15Å
530K42.1Very low53.3Low196 Ų196109.3 Ų109.385%0.85258%0.577SS**  trans-65.2113.5162.7-81.4-175.8175.8179.90106.3T528 V532T528-K530 PolarHBondContact O-N 2.62Å; K530-V532 PolarHBondContact O-N 3.49Å; K530-V532 VanDerWaalsContact O-N 3.09Å
531S50.4Low56.4Low109 Ų109103.6 Ų103.676%0.76254%0.543SS*.  trans-63.3110.8166.953.50000107.8L529 V533L529-S531 PolarHBondContact O-N 2.96Å; L529-S531 VanDerWaalsContact O-N 3.15Å; S531-V533 PolarHBondContact O-N 3.33Å
532V55.5Low59.5Low85 Ų8598.9 Ų98.952%0.51552%0.515SS..  trans-75.3118.4173.2178.80000107K530 I534K530-V532 PolarHBondContact O-N 3.49Å; K530-V532 VanDerWaalsContact O-N 3.09Å; V532-I534 PolarHBondContact O-N 2.95Å
533V63.7Low62.6Low130 Ų13090.3 Ų90.379%0.78848%0.476SS*.  trans-71.1110.4170.8-179.40000107.2S531 P535S531-V533 PolarHBondContact O-N 3.33Å; V533-P535 WeakPolarHBondContact O-CD 3.08Å
534I70.2Confident65.6Low74 Ų7484.4 Ų84.438%0.37944%0.44SS..  trans-70.8123.7179.2-59.1173.1000107.7V286 V532 A538 V540V286-I534 HydrophobicContact CG2-CG2 4.3Å; V532-I534 PolarHBondContact O-N 2.95Å; I534-A538 HydrophobicContact CG2-CB 4.11Å; I534-V540 HydrophobicContact CD1-CG2 3.86Å; I534-V540 HydrophobicContact CG2-CG2 3.89Å
535P74.8Confident68.5Low30 Ų3082 Ų8220%0.19542%0.42CS..  trans-58.2145175.7-21.731.9000111V533 N537 A538 I573V533-P535 WeakPolarHBondContact O-CD 3.08Å; P535-N537 WeakPolarHBondContact CB-OD1 3.4Å; P535-N537 PolarHBondContact O-N 2.95Å; P535-A538 HydrophobicContact CB-CB 4.18Å; P535-A538 HydrophobicContact CG-CB 4.41Å; P535-A538 VanDerWaalsContact O-CB 3.29Å; P535-A538 WeakPolarHBondContact O-CB 3.35Å; P535-A538 PolarHBondContact O-N 3.22Å; P535-I573 HydrophobicContact CG-CD1 4.04Å
536P74.9Confident71.5Confident96 Ų9671.2 Ų71.262%0.62338%0.379SS*.THydrogen-bonded Turntrans-65.3-21.9-178.526.5-34.4000113.2T497T497-P536 HydrophobicContact CG2-CB 4.29Å; T497-P536 HydrophobicContact CG2-CG 4.08Å
537N85.4Confident74.4Confident7 Ų763.4 Ų63.44%0.03735%0.346CS..THydrogen-bonded Turntrans-103.947.5177.567.8-34.5000111.3S281 T282 P283 H284 C494 P495 P535S281-N537 VanDerWaalsContact C-ND2 3.31Å; S281-N537 WeakPolarHBondContact CB-ND2 3.29Å; S281-N537 PolarHBondContact O-ND2 3.46Å; S281-N537 PolarHBondContact OG-ND2 3.21Å; T282-N537 PolarHBondContact O-ND2 3.38Å; P283-N537 WeakPolarHBondContact CA-O 3.39Å; H284-N537 PolarHBondContact N-O 3.41Å; H284-N537 VanDerWaalsContact N-O 3.09Å; C494-N537 PolarHBondContact SG-O 3.07Å; C494-N537 VanDerWaalsContact SG-O 3.34Å; P495-N537 WeakPolarHBondContact O-CA 3.46Å; P535-N537 WeakPolarHBondContact CB-OD1 3.4Å; P535-N537 PolarHBondContact O-N 2.95Å
538A89.8Confident77.1Confident8 Ų856 Ų567%0.06631%0.307CS..EExtended strand (participates in β ladder)trans-126.7147.2-178.400000112.7H284 V286 I534 P535H284-A538 HydrophobicContact CB-CB 4.12Å; H284-A538 CarbonylContact O-C 3.53Å; H284-A538 WeakPolarHBondContact O-CA 3.21Å; V286-A538 HydrophobicContact CG2-CB 3.94Å; I534-A538 HydrophobicContact CG2-CB 4.11Å; P535-A538 HydrophobicContact CB-CB 4.18Å; P535-A538 HydrophobicContact CG-CB 4.41Å; P535-A538 VanDerWaalsContact O-CB 3.29Å; P535-A538 WeakPolarHBondContact O-CB 3.35Å; P535-A538 PolarHBondContact O-N 3.22Å
539L93.5Very high79.9Confident1 Ų153.4 Ų53.41%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-98.5132.6162-65.6-178.8000109H284 I285 V286 V317 G319 V320 L489 L490 C494H284-L539 PolarHBondContact O-N 2.94Å; I285-L539 WeakPolarHBondContact CA-O 3.36Å; V286-L539 PolarHBondContact N-O 3Å; V317-L539 HydrophobicContact CG1-CB 4.1Å; V317-L539 HydrophobicContact CG1-CD1 4.07Å; V317-L539 HydrophobicContact CG1-CG 4.48Å; G319-L539 WeakPolarHBondContact O-CD2 3.34Å; V320-L539 HydrophobicContact CG2-CD2 4.1Å; L489-L539 HydrophobicContact CB-CD1 3.83Å; L490-L539 HydrophobicContact CB-CD1 4.37Å; L490-L539 HydrophobicContact CD1-CD1 4.41Å; L490-L539 HydrophobicContact CD1-CG 4.46Å; C494-L539 HydrophobicContact CB-CD2 4.47Å; C494-L539 HydrophobicContact CB-CG 4.19Å
540V93.9Very high82.3Confident13 Ų1349.5 Ų49.58%0.07927%0.271CS..EExtended strand (participates in β ladder)trans-94116.9176.7-178.70000108.6V286 Q288 V317 H318 I534 R542V286-V540 HydrophobicContact CB-CG2 4.46Å; V286-V540 CarbonylContact O-C 3.56Å; V286-V540 VanDerWaalsContact O-CA 3.31Å; V286-V540 WeakPolarHBondContact O-CA 3.39Å; Q288-V540 HydrophobicContact CB-CG1 3.71Å; V317-V540 CarbonylContact C-O 3.53Å; V317-V540 WeakPolarHBondContact CA-O 3.31Å; H318-V540 HydrophobicContact CB-CB 4.2Å; H318-V540 PolarHBondContact CD2-O 3.05Å; H318-V540 PolarHBondContact N-O 3.23Å; H318-V540 PolarHBondContact O-N 2.87Å; I534-V540 HydrophobicContact CD1-CG2 3.86Å; I534-V540 HydrophobicContact CG2-CG2 3.89Å; V540-R542 HydrophobicContact CG1-CG 4.23Å
541V95.3Very high84.3Confident1 Ų145.9 Ų45.91%0.00626%0.255CS..EExtended strand (participates in β ladder)trans-103.8120.1177.9-178.30000108.9I285 V286 I287 Q288 C315 T316 V317 I486 P560 L565I285-V541 HydrophobicContact CG2-CB 4.17Å; I285-V541 HydrophobicContact CG2-CG2 3.72Å; V286-V541 PolarHBondContact O-N 2.61Å; I287-V541 VanDerWaalsContact CA-O 3.27Å; I287-V541 WeakPolarHBondContact CA-O 3.41Å; Q288-V541 PolarHBondContact N-O 2.97Å; C315-V541 HydrophobicContact CB-CG1 4.11Å; T316-V541 CarbonylContact O-C 3.58Å; T316-V541 VanDerWaalsContact O-CA 3.26Å; T316-V541 WeakPolarHBondContact O-CA 3.16Å; V317-V541 HydrophobicContact CG1-CG2 4.38Å; V317-V541 HydrophobicContact CG2-CG2 4.28Å; I486-V541 HydrophobicContact CD1-CG1 4.43Å; I486-V541 HydrophobicContact CG2-CG2 4.45Å; V541-P560 HydrophobicContact CG1-CG 3.79Å; V541-L565 HydrophobicContact CG1-CD1 4.4Å
542R94.6Very high86Confident34 Ų3448 Ų4813%0.12826%0.258CS..EExtended strand (participates in β ladder)trans-108.1129.5175.3-47.7-169.1174.6147.21.5111.3Q288 P290 E294 Y296 T316 V540Q288-R542 HydrophobicContact CB-CG 4.37Å; Q288-R542 WeakPolarHBondContact O-CA 3.36Å; Q288-R542 WeakPolarHBondContact O-CB 3.37Å; Q288-R542 WeakPolarHBondContact O-CG 3.49Å; Q288-R542 VanDerWaalsContact OE1-NH2 3.16Å; P290-R542 HydrophobicContact CG-CB 4.21Å; E294-R542 VanDerWaalsContact CD-NH1 3.29Å; E294-R542 IonicContact OE1-CZ 2.69Å; E294-R542 IonicContact OE1-NH1 3Å; E294-R542 PolarHBondContact OE1-NH1 3.45Å; E294-R542 IonicContact OE2-CZ 2.8Å; E294-R542 IonicContact OE2-NH1 2.75Å; E294-R542 PolarHBondContact OE2-NH1 3.22Å; Y296-R542 HydrophobicContact CD2-CB 4.21Å; Y296-R542 HydrophobicContact CE2-CB 4.16Å; T316-R542 PolarHBondContact N-O 3.41Å; T316-R542 PolarHBondContact O-N 3.5Å; T316-R542 WeakPolarHBondContact OG1-CB 3.43Å; V540-R542 HydrophobicContact CG1-CG 4.23Å
543P95.2Very high87.5Confident10 Ų1050.4 Ų50.47%0.06526%0.259CS..EExtended strand (participates in β ladder)trans-71.2147.5-178.629.7-35.9000112.4Q288 P290 M558 F559Q288-P543 WeakPolarHBondContact O-CD 3.34Å; P290-P543 WeakPolarHBondContact CG-O 3.46Å; P543-M558 HydrophobicContact CB-CE 3.82Å; P543-M558 HydrophobicContact CG-CE 4.06Å; P543-F559 WeakPolarHBondContact CA-O 3.22Å; P543-F559 WeakPolarHBondContact CB-O 3.39Å
544I96Very high88.5Confident0 Ų047.7 Ų47.70%024%0.24CC..EExtended strand (participates in β ladder)trans-111.6135.1172.8-66173000109.3I298 A314 T316 F361 L467 F559I298-I544 HydrophobicContact CD1-CG2 4.04Å; I298-I544 HydrophobicContact CG1-CG2 3.8Å; A314-I544 HydrophobicContact CB-CB 4.21Å; A314-I544 HydrophobicContact CB-CD1 3.74Å; A314-I544 HydrophobicContact CB-CG2 4.28Å; A314-I544 WeakPolarHBondContact O-CB 3.47Å; T316-I544 HydrophobicContact CG2-CD1 3.98Å; T316-I544 HydrophobicContact CG2-CG1 4.46Å; F361-I544 HydrophobicContact CE1-CD1 4.09Å; F361-I544 HydrophobicContact CZ-CD1 3.93Å; L467-I544 HydrophobicContact CD1-CD1 3.29Å; I544-F559 PolarHBondContact N-O 3.44Å
545R94.3Very high89.4Confident102 Ų10245.8 Ų45.839%0.38523%0.23SC..EExtended strand (participates in β ladder)trans-79.9127.7172.5-73.6179.8-52.5-172.212.4110.6Y296 Q297 I298 V547 L555 M558Y296-R545 PolarHBondContact O-N 2.92Å; Q297-R545 CarbonylContact C-O 3.57Å; Q297-R545 VanDerWaalsContact CA-O 3.25Å; Q297-R545 WeakPolarHBondContact CA-O 3.49Å; Q297-R545 HydrophobicContact CG-CB 4.34Å; I298-R545 PolarHBondContact N-O 2.96Å; R545-V547 HydrophobicContact CB-CG1 4.33Å; R545-L555 HydrophobicContact CB-CD1 4.05Å; R545-L555 HydrophobicContact CG-CD1 4.02Å; R545-M558 WeakPolarHBondContact CA-SD 3.32Å; R545-M558 HydrophobicContact CB-SD 3.75Å; R545-M558 HydrophobicContact CG-CE 3.61Å; R545-M558 HydrophobicContact CG-CG 4.41Å; R545-M558 HydrophobicContact CG-SD 3.06Å; R545-M558 WeakPolarHBondContact CG-SD 3.31Å
546V95.5Very high90.1Very high1 Ų146.1 Ų46.11%0.00623%0.233CC..EExtended strand (participates in β ladder)trans-103121.3163.8-173.90000107.9I298 Q300 I312 C556 V557I298-V546 HydrophobicContact CB-CG1 4.47Å; I298-V546 HydrophobicContact CB-CG2 4.23Å; I298-V546 HydrophobicContact CD1-CG2 4.33Å; I298-V546 HydrophobicContact CG2-CG1 4.47Å; I298-V546 WeakPolarHBondContact O-CA 3.45Å; Q300-V546 HydrophobicContact CB-CG1 3.94Å; I312-V546 HydrophobicContact CG2-CG1 3.76Å; I312-V546 HydrophobicContact CG2-CG2 4.13Å; V546-C556 HydrophobicContact CB-CB 4.47Å; V546-C556 HydrophobicContact CG1-CB 4.29Å; V546-C556 WeakPolarHBondContact O-CA 3.31Å; V546-C556 WeakPolarHBondContact O-CB 2.79Å; V546-C556 PolarHBondContact O-N 3.28Å; V546-V557 HydrophobicContact CB-CG1 3.65Å; V546-V557 HydrophobicContact CG1-CG1 4.41Å; V546-V557 HydrophobicContact CG2-CG1 3.67Å; V546-V557 PolarHBondContact N-O 3.43Å; V546-V557 PolarHBondContact O-N 2.95Å
547V93.6Very high91Very high6 Ų642.4 Ų42.44%0.03621%0.208CC..EExtended strand (participates in β ladder)trans-122.2146.7-175.7-62.50000110.9Q297 I298 N299 Q300 R545 Y553 N554 L555Q297-V547 HydrophobicContact CG-CG1 4.36Å; Q297-V547 HydrophobicContact CG-CG2 3.77Å; I298-V547 PolarHBondContact O-N 3.23Å; N299-V547 WeakPolarHBondContact OD1-CG2 3.29Å; Q300-V547 WeakPolarHBondContact CB-O 3.11Å; Q300-V547 PolarHBondContact N-O 3.41Å; R545-V547 HydrophobicContact CB-CG1 4.33Å; V547-Y553 WeakPolarHBondContact CB-O 3.25Å; V547-Y553 WeakPolarHBondContact CG1-O 3.42Å; V547-Y553 HydrophobicContact CG2-CD1 3.85Å; V547-N554 CarbonylContact C-O 3.55Å; V547-N554 WeakPolarHBondContact CA-O 3.3Å; V547-L555 HydrophobicContact CG1-CD1 4.41Å
548D91.2Very high91.3Very high4 Ų444 Ų442%0.02122%0.216CC..EExtended strand (participates in β ladder)trans-86.9109.6173.5-170.6-16000110.3Q300 K305 D550 F551 Y553 N554Q300-D548 WeakPolarHBondContact O-CA 3.46Å; K305-D548 WeakPolarHBondContact CE-OD2 3.38Å; K305-D548 IonicContact NZ-OD2 3.06Å; K305-D548 PolarHBondContact NZ-OD2 2.91Å; D548-D550 PolarHBondContact O-N 3.08Å; D548-D550 WeakPolarHBondContact OD1-CB 3.38Å; D548-D550 PolarHBondContact OD1-N 3.16Å; D548-F551 HydrophobicContact CB-CB 4.15Å; D548-F551 CarbonylContact O-C 3.33Å; D548-F551 PolarHBondContact O-N 3.49Å; D548-Y553 WeakPolarHBondContact O-CA 3.43Å; D548-Y553 PolarHBondContact O-N 2.89Å; D548-N554 PolarHBondContact N-O 3.25Å
549V91Very high91.6Very high39 Ų3943.6 Ų43.624%0.23621%0.213CC..THydrogen-bonded Turntrans-69.9-21.5-179.5-61.10000113.5N299 Q300 T301 F551 Y553N299-V549 HydrophobicContact CB-CG1 3.47Å; N299-V549 VanDerWaalsContact CB-CG1 3.47Å; Q300-V549 PolarHBondContact O-N 3.26Å; T301-V549 HydrophobicContact CG2-CG2 3.87Å; V549-F551 VanDerWaalsContact C-N 3.31Å; V549-Y553 HydrophobicContact CB-CE1 4.34Å; V549-Y553 HydrophobicContact CG1-CD1 4.06Å; V549-Y553 HydrophobicContact CG1-CE1 3.68Å
550D87.7Confident91.6Very high94 Ų9443.8 Ų43.850%0.50321%0.214SC..THydrogen-bonded Turntrans-86.2-7179.4-61.8-60.1000112.2R302 D548R302-D550 HydrophobicContact CB-CB 4.24Å; R302-D550 WeakPolarHBondContact CB-OD2 3.45Å; R302-D550 PolarHBondContact N-OD2 3.33Å; D548-D550 PolarHBondContact O-N 3.08Å; D548-D550 WeakPolarHBondContact OD1-CB 3.38Å; D548-D550 PolarHBondContact OD1-N 3.16Å
551F83.8Confident91.4Very high120 Ų12043.8 Ų43.853%0.52622%0.215SC..THydrogen-bonded Turntrans-12860.4178.2-90.2-91.7000110.5D548 V549 Y553 N554D548-F551 HydrophobicContact CB-CB 4.15Å; D548-F551 CarbonylContact O-C 3.33Å; D548-F551 PolarHBondContact O-N 3.49Å; V549-F551 VanDerWaalsContact C-N 3.31Å; F551-Y553 PolarHBondContact O-N 2.89Å; F551-N554 HydrophobicContact CB-CB 4.41Å; F551-N554 WeakPolarHBondContact O-CB 3.49Å; F551-N554 PolarHBondContact O-N 3.29Å; F551-N554 PolarHBondContact O-ND2 3.23Å; F551-N554 VanDerWaalsContact O-ND2 3.11Å
552D85.5Confident90.9Very high154 Ų15447.7 Ų47.782%0.82423%0.229SC*.THydrogen-bonded Turntrans49.735.6174.4-65.3-30000114.6N554D552-N554 PolarHBondContact O-N 2.67Å
553Y86.6Confident90.4Very high135 Ų13548.8 Ų48.853%0.52924%0.242SC..THydrogen-bonded Turntrans6030.9-177.4-59.2-96.7000113.6V547 D548 V549 F551 L555V547-Y553 WeakPolarHBondContact CB-O 3.25Å; V547-Y553 WeakPolarHBondContact CG1-O 3.42Å; V547-Y553 HydrophobicContact CG2-CD1 3.85Å; D548-Y553 WeakPolarHBondContact O-CA 3.43Å; D548-Y553 PolarHBondContact O-N 2.89Å; V549-Y553 HydrophobicContact CB-CE1 4.34Å; V549-Y553 HydrophobicContact CG1-CD1 4.06Å; V549-Y553 HydrophobicContact CG1-CE1 3.68Å; F551-Y553 PolarHBondContact O-N 2.89Å; Y553-L555 PolarHBondContact O-N 3.42Å
554N84.8Confident90.2Very high72 Ų7248.9 Ų48.939%0.38524%0.242SC..EExtended strand (participates in β ladder)trans-56.1130.5173.9-83.8-29.3000110.9V547 D548 F551 D552 C556V547-N554 CarbonylContact C-O 3.55Å; V547-N554 WeakPolarHBondContact CA-O 3.3Å; D548-N554 PolarHBondContact N-O 3.25Å; F551-N554 HydrophobicContact CB-CB 4.41Å; F551-N554 WeakPolarHBondContact O-CB 3.49Å; F551-N554 PolarHBondContact O-N 3.29Å; F551-N554 PolarHBondContact O-ND2 3.23Å; F551-N554 VanDerWaalsContact O-ND2 3.11Å; D552-N554 PolarHBondContact O-N 2.67Å; N554-C556 PolarHBondContact O-N 3Å; N554-C556 VanDerWaalsContact O-N 3.16Å
555L89.8Confident89.9Confident35 Ų3548.9 Ų48.918%0.18324%0.242CC..EExtended strand (participates in β ladder)trans-67.1114.2-179.3175.672.2000110.6H17 N46 R545 V547 Y553 M558H17-L555 HydrophobicContact CB-CD2 4.29Å; N46-L555 WeakPolarHBondContact ND2-CB 3.37Å; R545-L555 HydrophobicContact CB-CD1 4.05Å; R545-L555 HydrophobicContact CG-CD1 4.02Å; V547-L555 HydrophobicContact CG1-CD1 4.41Å; Y553-L555 PolarHBondContact O-N 3.42Å; L555-M558 HydrophobicContact CD1-CG 3.83Å; L555-M558 HydrophobicContact CD1-SD 4.03Å; L555-M558 HydrophobicContact CD2-CG 3.8Å; L555-M558 HydrophobicContact CG-CG 4.34Å
556C89.5Confident89.5Confident37 Ų3748.9 Ų48.925%0.2525%0.254CS..EExtended strand (participates in β ladder)trans-79-47.9174.6-71.40000111.6V546 N554V546-C556 HydrophobicContact CB-CB 4.47Å; V546-C556 HydrophobicContact CG1-CB 4.29Å; V546-C556 WeakPolarHBondContact O-CA 3.31Å; V546-C556 WeakPolarHBondContact O-CB 2.79Å; V546-C556 PolarHBondContact O-N 3.28Å; N554-C556 PolarHBondContact O-N 3Å; N554-C556 VanDerWaalsContact O-N 3.16Å
557V93.1Very high88.9Confident17 Ų1752.6 Ų52.610%0.10327%0.274CS..EExtended strand (participates in β ladder)trans-158.7145.9179.758.60000111.8I312 V313 L475 V546I312-V557 WeakPolarHBondContact O-CG1 3.34Å; V313-V557 HydrophobicContact CG1-CG1 4.33Å; V313-V557 HydrophobicContact CG1-CG2 4.26Å; L475-V557 HydrophobicContact CD1-CB 4.27Å; L475-V557 HydrophobicContact CD1-CG1 4.32Å; L475-V557 HydrophobicContact CD1-CG2 3.86Å; L475-V557 HydrophobicContact CD2-CB 4.45Å; L475-V557 HydrophobicContact CD2-CG2 4.16Å; V546-V557 HydrophobicContact CB-CG1 3.65Å; V546-V557 HydrophobicContact CG1-CG1 4.41Å; V546-V557 HydrophobicContact CG2-CG1 3.67Å; V546-V557 PolarHBondContact N-O 3.43Å; V546-V557 PolarHBondContact O-N 2.95Å
558M93.3Very high88.2Confident40 Ų4056.2 Ų56.220%0.19730%0.304CS..EExtended strand (participates in β ladder)trans-110.7135162-77.1-60.1-91.500110.2P543 R545 L555P543-M558 HydrophobicContact CB-CE 3.82Å; P543-M558 HydrophobicContact CG-CE 4.06Å; R545-M558 WeakPolarHBondContact CA-SD 3.32Å; R545-M558 HydrophobicContact CB-SD 3.75Å; R545-M558 HydrophobicContact CG-CE 3.61Å; R545-M558 HydrophobicContact CG-CG 4.41Å; R545-M558 HydrophobicContact CG-SD 3.06Å; R545-M558 WeakPolarHBondContact CG-SD 3.31Å; L555-M558 HydrophobicContact CD1-CG 3.83Å; L555-M558 HydrophobicContact CD1-SD 4.03Å; L555-M558 HydrophobicContact CD2-CG 3.8Å; L555-M558 HydrophobicContact CG-CG 4.34Å
559F95.2Very high87.8Confident1 Ų161.2 Ų61.20%0.00433%0.325CS..EExtended strand (participates in β ladder)trans-140.5132.5171.2-178.3-94.7000111.2V313 C315 K479 A482 E483 I486 P543 I544 D564V313-F559 HydrophobicContact CB-CB 3.97Å; V313-F559 HydrophobicContact CB-CG 4.22Å; V313-F559 HydrophobicContact CG1-CB 4.43Å; V313-F559 HydrophobicContact CG2-CG 4.49Å; C315-F559 HydrophobicContact CB-CD1 3.97Å; C315-F559 HydrophobicContact CB-CE1 4.28Å; K479-F559 HydrophobicContact CB-CD2 4.26Å; K479-F559 HydrophobicContact CB-CE2 4.1Å; K479-F559 HydrophobicContact CD-CD2 4.39Å; K479-F559 HydrophobicContact CG-CD2 3.84Å; K479-F559 HydrophobicContact CG-CE2 4.2Å; A482-F559 HydrophobicContact CB-CD1 4.19Å; A482-F559 HydrophobicContact CB-CE1 3.39Å; A482-F559 HydrophobicContact CB-CE2 4.4Å; A482-F559 HydrophobicContact CB-CZ 3.51Å; E483-F559 HydrophobicContact CG-CE2 4.15Å; E483-F559 HydrophobicContact CG-CZ 4.03Å; I486-F559 HydrophobicContact CD1-CE1 3.96Å; I486-F559 HydrophobicContact CD1-CZ 4.16Å; P543-F559 WeakPolarHBondContact CA-O 3.22Å; P543-F559 WeakPolarHBondContact CB-O 3.39Å; I544-F559 PolarHBondContact N-O 3.44Å; F559-D564 HydrophobicContact CD2-CB 4.18Å; F559-D564 VanDerWaalsContact CD2-OD2 3.27Å; F559-D564 WeakPolarHBondContact CD2-OD2 3.31Å; F559-D564 HydrophobicContact CE2-CB 3.94Å
560P94.2Very high87.6Confident5 Ų559.4 Ų59.43%0.03231%0.314CS..SBendcis-68.2132.7-14.128.9-35000111.5I287 V541 D564 L565I287-P560 HydrophobicContact CD1-CB 4.22Å; I287-P560 HydrophobicContact CD1-CG 4.01Å; I287-P560 HydrophobicContact CG1-CG 4.27Å; I287-P560 HydrophobicContact CG2-CG 4.28Å; V541-P560 HydrophobicContact CG1-CG 3.79Å; P560-D564 HydrophobicContact CB-CB 3.78Å; P560-L565 HydrophobicContact CB-CD1 3.73Å; P560-L565 HydrophobicContact CB-CG 4.13Å; P560-L565 HydrophobicContact CG-CD1 3.85Å
561S90.1Very high87.4Confident12 Ų1258.1 Ų58.18%0.08431%0.307CS..  trans-78.9-175.3164.869.70000110.4S563 D564 R574S561-S563 PolarHBondContact O-N 2.89Å; S561-S563 PolarHBondContact OG-N 3.07Å; S561-S563 PolarHBondContact OG-OG 3.11Å; S561-D564 PolarHBondContact N-OD2 3.28Å; S561-D564 PolarHBondContact O-N 3.42Å; S561-D564 PolarHBondContact OG-OD2 2.98Å; S561-D564 VanDerWaalsContact OG-OD2 3.06Å; S561-R574 VanDerWaalsContact O-CZ 3.28Å; S561-R574 PolarHBondContact O-NH1 3.37Å; S561-R574 PolarHBondContact O-NH2 3.33Å
562R83.6Confident87.5Confident83 Ų8354.4 Ų54.431%0.31330%0.295SS..THydrogen-bonded Turntrans-61.8-27.3174.8-74.3-177.3173.3-163-5.3114.7E18 V20 R574E18-R562 WeakPolarHBondContact OE2-CG 3.37Å; V20-R562 VanDerWaalsContact CG2-NH1 3.27Å; R562-R574 PolarHBondContact O-NH2 2.88Å
563S84.7Confident87.4Confident58 Ų5849.9 Ų49.941%0.40627%0.27SS..THydrogen-bonded Turntrans-88.5-16.2-179.247.20000114.3S561 T566S561-S563 PolarHBondContact O-N 2.89Å; S561-S563 PolarHBondContact OG-N 3.07Å; S561-S563 PolarHBondContact OG-OG 3.11Å; S563-T566 WeakPolarHBondContact O-CG2 3.49Å; S563-T566 PolarHBondContact O-OG1 2.92Å
564D90.4Very high87.3Confident11 Ų1149.9 Ų49.96%0.05927%0.269CS..SBendtrans-83157.1178.1-57.7-42.5000111.3K479 F559 P560 S561 T566 R574K479-D564 WeakPolarHBondContact CD-OD1 3.4Å; K479-D564 IonicContact NZ-OD1 3.47Å; K479-D564 PolarHBondContact NZ-OD1 3.18Å; K479-D564 IonicContact NZ-OD2 3.6Å; K479-D564 PolarHBondContact NZ-OD2 3.44Å; F559-D564 HydrophobicContact CD2-CB 4.18Å; F559-D564 VanDerWaalsContact CD2-OD2 3.27Å; F559-D564 WeakPolarHBondContact CD2-OD2 3.31Å; F559-D564 HydrophobicContact CE2-CB 3.94Å; P560-D564 HydrophobicContact CB-CB 3.78Å; S561-D564 PolarHBondContact N-OD2 3.28Å; S561-D564 PolarHBondContact O-N 3.42Å; S561-D564 PolarHBondContact OG-OD2 2.98Å; S561-D564 VanDerWaalsContact OG-OD2 3.06Å; D564-T566 PolarHBondContact O-N 3.5Å; D564-R574 PolarHBondContact O-NH2 3.41Å
565L90.5Very high87.4Confident1 Ų148.8 Ų48.81%0.00526%0.263CS..SBendtrans54.636.8177.2-55175.4000114.1I285 I287 E483 I486 V541 P560 F570 T572I285-L565 HydrophobicContact CD1-CD1 4.5Å; I285-L565 HydrophobicContact CG2-CD1 4.39Å; I287-L565 HydrophobicContact CD1-CB 4.34Å; I287-L565 HydrophobicContact CD1-CD1 4.12Å; E483-L565 HydrophobicContact CB-CD2 4.27Å; E483-L565 HydrophobicContact CG-CD2 3.82Å; E483-L565 PolarHBondContact OE1-N 3.49Å; I486-L565 HydrophobicContact CB-CD2 4.44Å; I486-L565 HydrophobicContact CD1-CD1 4.05Å; I486-L565 HydrophobicContact CD1-CD2 4.11Å; I486-L565 HydrophobicContact CG2-CD1 4.48Å; I486-L565 HydrophobicContact CG2-CD2 4.08Å; V541-L565 HydrophobicContact CG1-CD1 4.4Å; P560-L565 HydrophobicContact CB-CD1 3.73Å; P560-L565 HydrophobicContact CB-CG 4.13Å; P560-L565 HydrophobicContact CG-CD1 3.85Å; L565-F570 HydrophobicContact CB-CD2 4.19Å; L565-F570 HydrophobicContact CB-CE2 4.47Å; L565-F570 HydrophobicContact CD2-CD1 4.29Å; L565-F570 HydrophobicContact CD2-CD2 4.18Å; L565-F570 HydrophobicContact CD2-CE1 3.91Å; L565-F570 HydrophobicContact CD2-CE2 3.81Å; L565-F570 HydrophobicContact CD2-CG 4.4Å; L565-F570 HydrophobicContact CD2-CZ 3.65Å; L565-T572 WeakPolarHBondContact O-CB 3.48Å; L565-T572 PolarHBondContact O-OG1 3.29Å
566T85.5Confident87.3Confident101 Ų10149.5 Ų49.562%0.6227%0.267SS*.  trans-93.5-11.1-179.248.80000113.7S563 D564S563-T566 WeakPolarHBondContact O-CG2 3.49Å; S563-T566 PolarHBondContact O-OG1 2.92Å; D564-T566 PolarHBondContact O-N 3.5Å
567D82.6Confident87.2Confident80 Ų8050.2 Ų50.243%0.42827%0.268SS..SBendtrans-61.8137.6176.6-170.7-15.7000111.2K569 F570D567-K569 HydrophobicContact CB-CG 4.22Å; D567-K569 PolarHBondContact O-N 3.44Å; D567-K569 PolarHBondContact OD1-N 3Å; D567-K569 WeakPolarHBondContact OD2-CD 3.28Å; D567-K569 WeakPolarHBondContact OD2-CE 3.43Å; D567-K569 IonicContact OD2-NZ 3.44Å; D567-K569 PolarHBondContact OD2-NZ 3.26Å; D567-F570 HydrophobicContact CB-CD2 3.78Å; D567-F570 HydrophobicContact CB-CE2 3.83Å; D567-F570 WeakPolarHBondContact O-CB 3.46Å; D567-F570 WeakPolarHBondContact O-CD2 3.32Å; D567-F570 PolarHBondContact O-N 3.14Å
568A78.7Confident86.8Confident81 Ų8152.1 Ų52.167%0.66928%0.278SS*.G310 helixtrans-54.8-30.5-176.100000112.9F570 N571A568-F570 PolarHBondContact O-N 2.88Å; A568-F570 VanDerWaalsContact O-N 3.08Å; A568-N571 PolarHBondContact O-N 3.36Å; A568-N571 PolarHBondContact O-OD1 2.8Å
569K83.1Confident86.4Confident109 Ų10952.9 Ų52.947%0.47428%0.283SS..G310 helixtrans-58.7-21.9178.173.4-171.9179.5-132.20114.4D567D567-K569 HydrophobicContact CB-CG 4.22Å; D567-K569 PolarHBondContact O-N 3.44Å; D567-K569 PolarHBondContact OD1-N 3Å; D567-K569 WeakPolarHBondContact OD2-CD 3.28Å; D567-K569 WeakPolarHBondContact OD2-CE 3.43Å; D567-K569 IonicContact OD2-NZ 3.44Å; D567-K569 PolarHBondContact OD2-NZ 3.26Å
570F85.9Confident85.8Confident1 Ų156.3 Ų56.30%0.00430%0.302CS..G310 helixtrans-86.5-18.3-177.5-64.7-58.6000113.9I285 E483 I486 A487 L490 L565 D567 A568 T572I285-F570 HydrophobicContact CD1-CB 3.94Å; I285-F570 HydrophobicContact CD1-CD1 3.45Å; I285-F570 VanDerWaalsContact CD1-CD1 3.45Å; I285-F570 HydrophobicContact CD1-CE1 4.23Å; I285-F570 HydrophobicContact CD1-CG 3.99Å; I285-F570 HydrophobicContact CG1-CB 4.43Å; I285-F570 PolarHBondContact N-O 3.28Å; I285-F570 VanDerWaalsContact N-O 3.15Å; E483-F570 HydrophobicContact CB-CZ 4.27Å; I486-F570 HydrophobicContact CG2-CE1 4.37Å; A487-F570 HydrophobicContact CB-CE1 3.75Å; A487-F570 HydrophobicContact CB-CZ 4.32Å; L490-F570 HydrophobicContact CD2-CD1 4.34Å; L565-F570 HydrophobicContact CB-CD2 4.19Å; L565-F570 HydrophobicContact CB-CE2 4.47Å; L565-F570 HydrophobicContact CD2-CD1 4.29Å; L565-F570 HydrophobicContact CD2-CD2 4.18Å; L565-F570 HydrophobicContact CD2-CE1 3.91Å; L565-F570 HydrophobicContact CD2-CE2 3.81Å; L565-F570 HydrophobicContact CD2-CG 4.4Å; L565-F570 HydrophobicContact CD2-CZ 3.65Å; D567-F570 HydrophobicContact CB-CD2 3.78Å; D567-F570 HydrophobicContact CB-CE2 3.83Å; D567-F570 WeakPolarHBondContact O-CB 3.46Å; D567-F570 WeakPolarHBondContact O-CD2 3.32Å; D567-F570 PolarHBondContact O-N 3.14Å; A568-F570 PolarHBondContact O-N 2.88Å; A568-F570 VanDerWaalsContact O-N 3.08Å; F570-T572 VanDerWaalsContact CB-OG1 3.23Å; F570-T572 WeakPolarHBondContact CB-OG1 3.48Å; F570-T572 PolarHBondContact O-N 3.35Å
571N84Confident85.2Confident67 Ų6760 Ų6036%0.35832%0.321SS..  trans43.346.9-172.8-61.3-46.9000112.8P283 H284 A568P283-N571 PolarHBondContact O-ND2 3.33Å; H284-N571 WeakPolarHBondContact ND1-CB 3.15Å; H284-N571 PolarHBondContact ND1-O 3.09Å; A568-N571 PolarHBondContact O-N 3.36Å; A568-N571 PolarHBondContact O-OD1 2.8Å
572T85.5Confident84.9Confident43 Ų4363.7 Ų63.726%0.26434%0.339SS..  trans-68129.5-167.9-56.40000113I285 I287 L565 F570 R574I285-T572 HydrophobicContact CG2-CG2 4.46Å; I285-T572 CarbonylContact O-C 3.56Å; I285-T572 WeakPolarHBondContact O-CA 3.07Å; I287-T572 HydrophobicContact CD1-CG2 3.5Å; I287-T572 HydrophobicContact CG1-CG2 3.88Å; L565-T572 WeakPolarHBondContact O-CB 3.48Å; L565-T572 PolarHBondContact O-OG1 3.29Å; F570-T572 VanDerWaalsContact CB-OG1 3.23Å; F570-T572 WeakPolarHBondContact CB-OG1 3.48Å; F570-T572 PolarHBondContact O-N 3.35Å; T572-R574 HydrophobicContact CG2-CG 4.11Å
573I84.2Confident85Confident59 Ų5962.1 Ų62.130%0.30334%0.341SS..BIsolated β-bridgetrans-109.4135.8169.8-55.6171.8000107.2H284 I285 V286 I287 P535H284-I573 HydrophobicContact CB-CD1 4.39Å; I285-I573 PolarHBondContact O-N 3.11Å; V286-I573 CarbonylContact C-O 3.2Å; V286-I573 WeakPolarHBondContact CA-O 3.27Å; V286-I573 HydrophobicContact CG2-CB 4.25Å; V286-I573 HydrophobicContact CG2-CD1 4.32Å; I287-I573 PolarHBondContact N-O 3.25Å; P535-I573 HydrophobicContact CG-CD1 4.04Å
574R84.3Confident85Confident134 Ų13462.5 Ų62.551%0.50634%0.335SS..  trans-121.60-177.4-68.8-175172.2-90.11.1112.7I287 S561 R562 D564 T572I287-R574 HydrophobicContact CB-CG 4.15Å; I287-R574 HydrophobicContact CD1-CG 4.19Å; I287-R574 VanDerWaalsContact CD1-NH1 3.34Å; I287-R574 VanDerWaalsContact O-OXT 3.12Å; S561-R574 VanDerWaalsContact O-CZ 3.28Å; S561-R574 PolarHBondContact O-NH1 3.37Å; S561-R574 PolarHBondContact O-NH2 3.33Å; R562-R574 PolarHBondContact O-NH2 2.88Å; D564-R574 PolarHBondContact O-NH2 3.41Å; T572-R574 HydrophobicContact CG2-CG 4.11Å

Retrieved 574 of 574 residues in 144.6 ms (Link to these results)

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