A0A087Y7B7_POEFO Loading...

Phosphatidylinositol-4-phosphate 3-kinase catalytic subunit type 2 gamma

AlphaFold DB , UniProt , Accession A0A087Y7B7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 884 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
1M80.9Confident89.1Confident216 Ų21699.8 Ų99.8100%1.06453%0.532SS*.  0139.70-72.2176.416800107.3
2V87.2Confident89.5Confident149 Ų14991.7 Ų91.790%0.90349%0.488SS*.  trans-116.4124.8176.7-177.50000108.1
3F89.4Confident89.8Confident130 Ų13086.3 Ų86.357%0.5746%0.458SS*.  trans-90.9144.4176-65.4-88.9000109.7V5 L16F3-V5 PolarHBondContact O-N 2.64Å; F3-L16 HydrophobicContact CE2-CD1 4.26Å; F3-L16 HydrophobicContact CZ-CD1 3.76Å
4P91.9Very high90Very high133 Ų13381.1 Ų81.186%0.86443%0.433SS*.SBendtrans-80.644.2178.336.1-37.4000111.8
5V90.3Very high90.3Very high71 Ų7178.4 Ų78.443%0.4342%0.417SS..SBendtrans-140.4134.2-179.2-178.70000108.1F3 E9 L10F3-V5 PolarHBondContact O-N 2.64Å; V5-E9 HydrophobicContact CG1-CB 4.17Å; V5-L10 HydrophobicContact CG1-CD2 3.71Å; V5-L10 HydrophobicContact CG1-CG 4.24Å
6R90Very high90.6Very high166 Ų16674.9 Ų74.963%0.62640%0.398SS*.  trans-79.9146.8178.2-65.3-177.2-72.4175.9-0.2110.3S8 E9R6-S8 PolarHBondContact O-N 3.17Å; R6-E9 HydrophobicContact CB-CG 4.13Å; R6-E9 IonicContact CZ-OE1 3.16Å; R6-E9 PolarHBondContact N-OE2 2.9Å; R6-E9 IonicContact NE-OE1 2.79Å; R6-E9 PolarHBondContact NE-OE1 2.98Å; R6-E9 IonicContact NH2-OE1 2.69Å; R6-E9 PolarHBondContact NH2-OE1 3.36Å; R6-E9 WeakPolarHBondContact O-CB 3.35Å; R6-E9 PolarHBondContact O-N 3.25Å
7V89.4Confident90.8Very high39 Ų3973.5 Ų73.524%0.23639%0.393CS..G310 helixtrans-55.1-38.2176.1177.50000111.2E9 L10 Y40 F45 W90V7-E9 PolarHBondContact O-N 3.24Å; V7-L10 WeakPolarHBondContact O-CB 3.03Å; V7-L10 PolarHBondContact O-N 3.38Å; V7-L10 VanDerWaalsContact O-N 3.16Å; V7-Y40 PolarHBondContact O-OH 3.37Å; V7-F45 HydrophobicContact CG1-CD2 4.01Å; V7-F45 HydrophobicContact CG1-CE2 4.17Å; V7-F45 HydrophobicContact CG1-CG 4.32Å; V7-F45 HydrophobicContact CG2-CE2 4.49Å; V7-F45 HydrophobicContact CG2-CZ 4.25Å; V7-W90 HydrophobicContact CG1-CB 4.32Å; V7-W90 HydrophobicContact CG1-CD2 4.15Å; V7-W90 HydrophobicContact CG1-CE3 4.43Å; V7-W90 HydrophobicContact CG1-CG 4.11Å
8S87.9Confident91Very high75 Ų7570.9 Ų70.952%0.52438%0.379SS..G310 helixtrans-64.9-14.8177.261.10000115.1R6R6-S8 PolarHBondContact O-N 3.17Å
9E89.9Confident91.2Very high57 Ų5774.4 Ų74.427%0.26639%0.387SS..G310 helixtrans-97.2-8.6179-66168.1176.200112.3V5 R6 V7 H160 P161V5-E9 HydrophobicContact CG1-CB 4.17Å; R6-E9 HydrophobicContact CB-CG 4.13Å; R6-E9 IonicContact CZ-OE1 3.16Å; R6-E9 PolarHBondContact N-OE2 2.9Å; R6-E9 IonicContact NE-OE1 2.79Å; R6-E9 PolarHBondContact NE-OE1 2.98Å; R6-E9 IonicContact NH2-OE1 2.69Å; R6-E9 PolarHBondContact NH2-OE1 3.36Å; R6-E9 WeakPolarHBondContact O-CB 3.35Å; R6-E9 PolarHBondContact O-N 3.25Å; V7-E9 PolarHBondContact O-N 3.24Å; E9-H160 PolarHBondContact O-ND1 2.85Å; E9-P161 WeakPolarHBondContact O-CD 3.48Å
10L91.3Very high91.3Very high32 Ų3274.5 Ų74.517%0.16839%0.387CS..  trans-80.8125.5-178.6-65.6176.3000110.4V5 V7 L39 Y40 F45 Y92V5-L10 HydrophobicContact CG1-CD2 3.71Å; V5-L10 HydrophobicContact CG1-CG 4.24Å; V7-L10 WeakPolarHBondContact O-CB 3.03Å; V7-L10 PolarHBondContact O-N 3.38Å; V7-L10 VanDerWaalsContact O-N 3.16Å; L10-L39 HydrophobicContact CD1-CD1 3.87Å; L10-Y40 HydrophobicContact CB-CE2 4.04Å; L10-F45 HydrophobicContact CD1-CE2 3.97Å; L10-Y92 WeakPolarHBondContact O-CE2 3.29Å
11P92.3Very high91.3Very high30 Ų3076.7 Ų76.720%0.19539%0.394CS..  trans-64.4162.2168.225.7-31.7000111.3E13 S14 Y40 W159P11-E13 PolarHBondContact O-N 2.69Å; P11-S14 VanDerWaalsContact CD-OG 3.32Å; P11-S14 WeakPolarHBondContact CD-OG 3.39Å; P11-S14 VanDerWaalsContact O-CB 3.31Å; P11-S14 WeakPolarHBondContact O-CB 3.15Å; P11-S14 PolarHBondContact O-N 2.77Å; P11-S14 PolarHBondContact O-OG 3.24Å; P11-Y40 WeakPolarHBondContact O-CE2 3.47Å; P11-W159 WeakPolarHBondContact CB-O 3.5Å
12Y92.9Very high91.8Very high2 Ų267.6 Ų67.61%0.00836%0.355CS..THydrogen-bonded Turntrans-58.1-39.9178.1-175.2-112.9000111.9S14 Y40 D42 R43 Y92 W226 K227Y12-S14 PolarHBondContact O-N 2.8Å; Y12-Y40 HydrophobicContact CD2-CG 4.05Å; Y12-Y40 HydrophobicContact CE2-CG 4.39Å; Y12-Y40 WeakPolarHBondContact O-CD2 2.89Å; Y12-D42 PolarHBondContact OH-N 3.28Å; Y12-R43 HydrophobicContact CE2-CG 4.29Å; Y12-R43 PolarHBondContact OH-N 2.81Å; Y12-Y92 AromaticContact CD2-CD1 3.75Å; Y12-Y92 HydrophobicContact CD2-CD1 3.75Å; Y12-Y92 HydrophobicContact CD2-CE1 4.43Å; Y12-Y92 AromaticContact CD2-CG 3.89Å; Y12-Y92 HydrophobicContact CD2-CG 3.89Å; Y12-Y92 HydrophobicContact CG-CD1 4.06Å; Y12-Y92 HydrophobicContact CG-CE1 4.3Å; Y12-Y92 HydrophobicContact CG-CG 4.48Å; Y12-W226 AromaticContact CD1-CD1 3.89Å; Y12-W226 AromaticContact CD1-NE1 3.72Å; Y12-W226 AromaticContact CE1-CD1 3.25Å; Y12-W226 HydrophobicContact CE1-CG 4.22Å; Y12-W226 AromaticContact CE1-NE1 3.28Å; Y12-W226 VanDerWaalsContact CE1-NE1 3.28Å; Y12-W226 AromaticContact CZ-CD1 3.99Å; Y12-W226 AromaticContact CZ-NE1 3.77Å; Y12-W226 WeakPolarHBondContact O-CZ2 3.26Å; Y12-K227 VanDerWaalsContact OH-CE 3.24Å; Y12-K227 WeakPolarHBondContact OH-CE 3.38Å
13E93.5Very high92Very high22 Ų2265 Ų6510%0.10334%0.34CS..THydrogen-bonded Turntrans-79.430.9-177.8-63.677.2-169.900113.5P11 R94 P191 E193 W226P11-E13 PolarHBondContact O-N 2.69Å; E13-R94 IonicContact OE1-CZ 2.92Å; E13-R94 IonicContact OE1-NH1 3.9Å; E13-R94 PolarHBondContact OE1-NH1 3.28Å; E13-R94 VanDerWaalsContact OE1-NH1 3.11Å; E13-R94 IonicContact OE1-NH2 3.08Å; E13-R94 PolarHBondContact OE1-NH2 3.21Å; E13-R94 IonicContact OE2-NH1 2.69Å; E13-P191 HydrophobicContact CB-CB 4.17Å; E13-P191 HydrophobicContact CB-CG 4.3Å; E13-P191 HydrophobicContact CG-CB 4.32Å; E13-P191 WeakPolarHBondContact CG-O 3.17Å; E13-E193 PolarHBondContact OE1-N 3.47Å; E13-E193 VanDerWaalsContact OE1-N 3.1Å; E13-W226 VanDerWaalsContact CA-CZ2 3.43Å; E13-W226 VanDerWaalsContact CA-CZ3 3.48Å; E13-W226 HydrophobicContact CB-CD2 4.21Å; E13-W226 HydrophobicContact CB-CE3 3.76Å; E13-W226 HydrophobicContact CB-CH2 3.96Å; E13-W226 HydrophobicContact CB-CZ2 4.36Å; E13-W226 HydrophobicContact CB-CZ3 3.62Å; E13-W226 HydrophobicContact CG-CD2 3.81Å; E13-W226 HydrophobicContact CG-CE3 3.67Å; E13-W226 HydrophobicContact CG-CG 4.34Å; E13-W226 HydrophobicContact CG-CZ3 4.1Å; E13-W226 VanDerWaalsContact O-CH2 3.26Å; E13-W226 WeakPolarHBondContact O-CH2 3.45Å; E13-W226 WeakPolarHBondContact O-CZ3 3.33Å
14S93.4Very high91.9Very high14 Ų1466.4 Ų66.410%0.09835%0.346CS..  trans-80.3125.2179.2-66.70000112.3P11 Y12 L39P11-S14 VanDerWaalsContact CD-OG 3.32Å; P11-S14 WeakPolarHBondContact CD-OG 3.39Å; P11-S14 VanDerWaalsContact O-CB 3.31Å; P11-S14 WeakPolarHBondContact O-CB 3.15Å; P11-S14 PolarHBondContact O-N 2.77Å; P11-S14 PolarHBondContact O-OG 3.24Å; Y12-S14 PolarHBondContact O-N 2.8Å; S14-L39 PolarHBondContact O-N 2.96Å
15M94.3Very high91.4Very high40 Ų4072.5 Ų72.520%0.19735%0.351CS..EExtended strand (participates in β ladder)trans-111.8133.6176.3-66.6-66.6-69.500111.3V36 P38 P64 S65 P66 W226M15-V36 HydrophobicContact CE-CB 3.87Å; M15-V36 HydrophobicContact CE-CG2 3.91Å; M15-P38 WeakPolarHBondContact SD-CA 3.41Å; M15-P38 HydrophobicContact SD-CB 3.69Å; M15-P64 HydrophobicContact CB-CG 4.02Å; M15-P64 HydrophobicContact CE-CB 4.14Å; M15-P64 HydrophobicContact CE-CG 4.34Å; M15-P64 HydrophobicContact CG-CG 4.21Å; M15-S65 WeakPolarHBondContact CE-O 3.5Å; M15-P66 HydrophobicContact SD-CG 4.39Å; M15-W226 HydrophobicContact CG-CH2 3.7Å; M15-W226 HydrophobicContact CG-CZ3 4Å; M15-W226 HydrophobicContact SD-CH2 3.47Å; M15-W226 WeakPolarHBondContact SD-CH2 3.49Å; M15-W226 HydrophobicContact SD-CZ2 4.29Å; M15-W226 HydrophobicContact SD-CZ3 3.98Å
16L94.8Very high90.8Very high22 Ų2273.4 Ų73.412%0.11538%0.375CS..EExtended strand (participates in β ladder)trans-92.5122.4166.8179.364.6000109.7F3 L18 V36 L37 L39 L82 F84F3-L16 HydrophobicContact CE2-CD1 4.26Å; F3-L16 HydrophobicContact CZ-CD1 3.76Å; L16-L18 HydrophobicContact CD2-CD1 4.26Å; L16-L18 HydrophobicContact CD2-CD2 4.49Å; L16-L18 HydrophobicContact CD2-CG 4.44Å; L16-L18 HydrophobicContact CG-CD1 4.41Å; L16-L18 HydrophobicContact CG-CG 4.26Å; L16-V36 CarbonylContact O-C 3.44Å; L16-V36 VanDerWaalsContact O-CA 3.31Å; L16-V36 WeakPolarHBondContact O-CA 3.34Å; L16-L37 HydrophobicContact CB-CB 4.41Å; L16-L37 HydrophobicContact CD2-CD2 4.43Å; L16-L37 PolarHBondContact N-O 3.35Å; L16-L37 PolarHBondContact O-N 3.46Å; L16-L39 HydrophobicContact CB-CD2 3.83Å; L16-L39 HydrophobicContact CB-CG 4.19Å; L16-L39 HydrophobicContact CD2-CD2 4.38Å; L16-L82 HydrophobicContact CD2-CD1 4.45Å; L16-F84 HydrophobicContact CD2-CE1 4.44Å; L16-F84 HydrophobicContact CD2-CZ 3.91Å
17T94.8Very high90.5Very high52 Ų5273.4 Ų73.432%0.31938%0.375SS..EExtended strand (participates in β ladder)trans-109.7127175.2-57.10000110.5R19 V36T17-R19 HydrophobicContact CG2-CG 4.46Å; T17-V36 HydrophobicContact CG2-CG1 4.04Å
18L94.1Very high90.4Very high27 Ų2778.3 Ų78.314%0.14140%0.4CS..EExtended strand (participates in β ladder)trans-115131.8-176.5-65.9148.3000109L16 W34 A35 L52 L80 L82L16-L18 HydrophobicContact CD2-CD1 4.26Å; L16-L18 HydrophobicContact CD2-CD2 4.49Å; L16-L18 HydrophobicContact CD2-CG 4.44Å; L16-L18 HydrophobicContact CG-CD1 4.41Å; L16-L18 HydrophobicContact CG-CG 4.26Å; L18-W34 CarbonylContact O-C 3.59Å; L18-W34 WeakPolarHBondContact O-CA 3.49Å; L18-W34 VanDerWaalsContact O-CB 3.23Å; L18-W34 WeakPolarHBondContact O-CB 3.22Å; L18-A35 PolarHBondContact N-O 3.16Å; L18-A35 PolarHBondContact O-N 3.42Å; L18-L52 HydrophobicContact CD1-CD1 3.74Å; L18-L80 HydrophobicContact CB-CD2 4.17Å; L18-L80 HydrophobicContact CD1-CD2 3.9Å; L18-L80 HydrophobicContact CD2-CD2 4.3Å; L18-L80 HydrophobicContact CG-CD2 4.34Å; L18-L82 HydrophobicContact CD1-CD1 3.53Å; L18-L82 HydrophobicContact CD1-CD2 4.15Å; L18-L82 HydrophobicContact CD1-CG 4.35Å; L18-L82 HydrophobicContact CD2-CD2 4.19Å
19R93.9Very high90.5Very high137 Ų13778.5 Ų78.552%0.51740%0.4SS..EExtended strand (participates in β ladder)trans-128116.8-177.6-65-179.4175.9117.3-3.9110.1T17 L31 W34 E59T17-R19 HydrophobicContact CG2-CG 4.46Å; R19-L31 HydrophobicContact CB-CD1 3.79Å; R19-L31 HydrophobicContact CG-CD1 4.06Å; R19-W34 HydrophobicContact CG-CB 4.29Å; R19-E59 WeakPolarHBondContact CD-OE1 3.31Å; R19-E59 VanDerWaalsContact CG-OE1 3.31Å; R19-E59 WeakPolarHBondContact CG-OE1 3.2Å; R19-E59 IonicContact CZ-OE1 3.52Å; R19-E59 IonicContact CZ-OE2 3.82Å; R19-E59 VanDerWaalsContact CZ-OE2 3.24Å; R19-E59 IonicContact NE-OE1 2.89Å; R19-E59 PolarHBondContact NE-OE1 3.44Å; R19-E59 IonicContact NE-OE2 3.11Å; R19-E59 PolarHBondContact NE-OE2 3.42Å; R19-E59 IonicContact NH2-OE1 3.21Å; R19-E59 IonicContact NH2-OE2 3.75Å; R19-E59 PolarHBondContact NH2-OE2 2.98Å
20L92.9Very high90.6Very high76 Ų7681.8 Ų81.840%0.39842%0.415SS..EExtended strand (participates in β ladder)trans-85.7118.2170.2-178.863.8000108.5L32 S33 M54L20-L32 HydrophobicContact CD2-CB 4.48Å; L20-L32 HydrophobicContact CG-CB 4.36Å; L20-L32 HydrophobicContact CG-CD1 4.35Å; L20-L32 PolarHBondContact O-N 3.09Å; L20-S33 PolarHBondContact N-O 2.95Å; L20-S33 PolarHBondContact O-N 2.92Å; L20-M54 HydrophobicContact CB-CE 3.63Å; L20-M54 HydrophobicContact CB-SD 4.06Å; L20-M54 HydrophobicContact CD2-SD 4.35Å
21K92.9Very high90.6Very high120 Ų12083.8 Ų83.852%0.52243%0.425SS..EExtended strand (participates in β ladder)trans-117.8138.3178.8-62.1-172.6177.5-175.20111.1P29 E30 L31K21-P29 HydrophobicContact CB-CB 3.94Å; K21-P29 HydrophobicContact CD-CB 4.25Å; K21-E30 CarbonylContact C-O 3.5Å; K21-E30 WeakPolarHBondContact CA-O 3.37Å; K21-E30 WeakPolarHBondContact CB-O 3.39Å; K21-L31 HydrophobicContact CG-CD1 4.36Å
22G91.2Very high90.6Very high25 Ų2587 Ų8726%0.25844%0.44SS..EExtended strand (participates in β ladder)trans-112143.5176.200000111.4P29 E30G22-P29 CarbonylContact O-C 3.52Å; G22-P29 VanDerWaalsContact O-CA 3.32Å; G22-P29 WeakPolarHBondContact O-CA 3.45Å; G22-E30 PolarHBondContact N-O 2.82Å; G22-E30 PolarHBondContact O-N 2.9Å
23T91.1Very high90.7Very high94 Ų9487.3 Ų87.358%0.57744%0.443SS*.  trans-130.9140.9173.7174.90000110.6R27T23-R27 PolarHBondContact OG1-O 3.29Å
24K87.7Confident90.7Very high161 Ų16186.6 Ų86.670%0.744%0.439SS*.  trans-97.9142164.2-68.6-178.8179.9176.50107.8G26 R27K24-G26 PolarHBondContact O-N 3Å; K24-G26 VanDerWaalsContact O-N 3.11Å; K24-R27 PolarHBondContact O-N 2.95Å
25R81.7Confident90.8Very high260 Ų26085.9 Ų85.998%0.98143%0.434SS*.THydrogen-bonded Turntrans-42.1119.6-176.7-79.9-174.1177.2-174.5-0.3111.6
26G76.6Confident90.9Very high90 Ų9084 Ų8493%0.92843%0.425SS*.THydrogen-bonded Turntrans85.25.6178.800000116.3K24K24-G26 PolarHBondContact O-N 3Å; K24-G26 VanDerWaalsContact O-N 3.11Å
27R83.5Confident90.9Very high166 Ų16683 Ų8363%0.62642%0.42SS*.SBendtrans-115.2153.1175.3-63.8-170.2-179.8-168.4-0.9112.3T23 K24T23-R27 PolarHBondContact OG1-O 3.29Å; K24-R27 PolarHBondContact O-N 2.95Å
28N88.6Confident91Very high143 Ų14381.1 Ų81.177%0.76541%0.408SS*.PPolyproline II helixtrans-61.2145173.9-71.1-27.3000111E30N28-E30 PolarHBondContact O-N 3.21Å
29P90.1Very high91Very high79 Ų7980.8 Ų80.851%0.51341%0.407SS..PPolyproline II helixtrans-61.9124.8174.7-2132.1000111.8K21 G22K21-P29 HydrophobicContact CB-CB 3.94Å; K21-P29 HydrophobicContact CD-CB 4.25Å; G22-P29 CarbonylContact O-C 3.52Å; G22-P29 VanDerWaalsContact O-CA 3.32Å; G22-P29 WeakPolarHBondContact O-CA 3.45Å
30E91.2Very high91Very high125 Ų12574.7 Ų74.758%0.58438%0.384SS*.EExtended strand (participates in β ladder)trans-94.1142.7175.4-68.7173.7-172.700109.7K21 G22 N28 L32K21-E30 CarbonylContact C-O 3.5Å; K21-E30 WeakPolarHBondContact CA-O 3.37Å; K21-E30 WeakPolarHBondContact CB-O 3.39Å; G22-E30 PolarHBondContact N-O 2.82Å; G22-E30 PolarHBondContact O-N 2.9Å; N28-E30 PolarHBondContact O-N 3.21Å; E30-L32 PolarHBondContact O-N 3.42Å
31L91.4Very high90.7Very high74 Ų7473.8 Ų73.839%0.38738%0.384SS..EExtended strand (participates in β ladder)trans-70.1124.2174.6-177.469.1000109.3R19 K21 W34 E59R19-L31 HydrophobicContact CB-CD1 3.79Å; R19-L31 HydrophobicContact CG-CD1 4.06Å; K21-L31 HydrophobicContact CG-CD1 4.36Å; L31-W34 HydrophobicContact CD1-CB 4.5Å; L31-E59 HydrophobicContact CD2-CG 3.94Å; L31-E59 VanDerWaalsContact CD2-OE1 3.31Å; L31-E59 WeakPolarHBondContact CD2-OE1 3.35Å
32L92.1Very high90.4Very high98 Ų9873.7 Ų73.751%0.51339%0.389SS..EExtended strand (participates in β ladder)trans-97.6-47.5177-59.9-179.5000111.2L20 E30L20-L32 HydrophobicContact CD2-CB 4.48Å; L20-L32 HydrophobicContact CG-CB 4.36Å; L20-L32 HydrophobicContact CG-CD1 4.35Å; L20-L32 PolarHBondContact O-N 3.09Å; E30-L32 PolarHBondContact O-N 3.42Å
33S94.1Very high90.4Very high8 Ų878.6 Ų78.66%0.05640%0.4CS..EExtended strand (participates in β ladder)trans-159.9165.2179.162.30000110.8L20 M54 S55L20-S33 PolarHBondContact N-O 2.95Å; L20-S33 PolarHBondContact O-N 2.92Å; S33-M54 WeakPolarHBondContact OG-CB 3.19Å; S33-S55 CarbonylContact C-O 3.58Å; S33-S55 WeakPolarHBondContact CA-O 3.19Å; S33-S55 VanDerWaalsContact CB-O 3.24Å; S33-S55 WeakPolarHBondContact CB-O 3.32Å
34W95.1Very high90.5Very high7 Ų776.8 Ų76.83%0.02739%0.389CS..EExtended strand (participates in β ladder)trans-149.4159.6179.760.2-80.6000111.7L18 R19 L31 V36 M54 S55 L57 E59 L68 H72 Y262L18-W34 CarbonylContact O-C 3.59Å; L18-W34 WeakPolarHBondContact O-CA 3.49Å; L18-W34 VanDerWaalsContact O-CB 3.23Å; L18-W34 WeakPolarHBondContact O-CB 3.22Å; R19-W34 HydrophobicContact CG-CB 4.29Å; L31-W34 HydrophobicContact CD1-CB 4.5Å; W34-V36 HydrophobicContact CE3-CG1 3.97Å; W34-V36 HydrophobicContact CZ3-CG1 3.8Å; W34-M54 CarbonylContact O-C 3.52Å; W34-M54 WeakPolarHBondContact O-CA 3.25Å; W34-S55 PolarHBondContact N-O 3.47Å; W34-S55 PolarHBondContact O-N 2.86Å; W34-L57 PolarHBondContact NE1-O 3.35Å; W34-E59 HydrophobicContact CB-CG 4.4Å; W34-E59 HydrophobicContact CD2-CG 3.66Å; W34-E59 HydrophobicContact CE3-CG 4.34Å; W34-E59 HydrophobicContact CG-CG 3.64Å; W34-E59 HydrophobicContact CZ2-CG 4.31Å; W34-L68 HydrophobicContact CH2-CD1 4.09Å; W34-L68 HydrophobicContact CH2-CD2 3.71Å; W34-L68 HydrophobicContact CH2-CG 4.27Å; W34-L68 HydrophobicContact CZ3-CD2 3.76Å; W34-L68 HydrophobicContact CZ3-CG 4.35Å; W34-H72 AromaticContact CZ3-CE1 3.61Å; W34-Y262 HydrophobicContact CZ2-CD1 4.5Å; W34-Y262 HydrophobicContact CZ2-CE1 4.07Å
35A95.4Very high90.8Very high0 Ų071 Ų710%036%0.364CS..EExtended strand (participates in β ladder)trans-144158.9175.500000109.9L18 L52 M54L18-A35 PolarHBondContact N-O 3.16Å; L18-A35 PolarHBondContact O-N 3.42Å; A35-L52 HydrophobicContact CB-CB 4.12Å; A35-L52 HydrophobicContact CB-CD1 4.22Å; A35-M54 HydrophobicContact CB-CG 4.42Å
36V95.6Very high91.4Very high1 Ų159.6 Ų59.61%0.00632%0.323CS..EExtended strand (participates in β ladder)trans-131.4145.8175.7-61.20000111.5M15 L16 T17 W34 P64 L68 S69 H72M15-V36 HydrophobicContact CE-CB 3.87Å; M15-V36 HydrophobicContact CE-CG2 3.91Å; L16-V36 CarbonylContact O-C 3.44Å; L16-V36 VanDerWaalsContact O-CA 3.31Å; L16-V36 WeakPolarHBondContact O-CA 3.34Å; T17-V36 HydrophobicContact CG2-CG1 4.04Å; W34-V36 HydrophobicContact CE3-CG1 3.97Å; W34-V36 HydrophobicContact CZ3-CG1 3.8Å; V36-P64 HydrophobicContact CB-CB 4.16Å; V36-P64 HydrophobicContact CG1-CB 3.76Å; V36-P64 HydrophobicContact CG1-CG 4.01Å; V36-P64 HydrophobicContact CG2-CB 4.15Å; V36-L68 HydrophobicContact CG2-CB 4.2Å; V36-L68 HydrophobicContact CG2-CD2 3.88Å; V36-L68 HydrophobicContact CG2-CG 3.78Å; V36-S69 WeakPolarHBondContact O-CB 3.46Å; V36-S69 PolarHBondContact O-OG 3.23Å; V36-H72 WeakPolarHBondContact CG2-ND1 3.35Å; V36-H72 PolarHBondContact N-ND1 3.36Å
37L95.9Very high92.2Very high0 Ų062.1 Ų62.10%030%0.304CS..EExtended strand (participates in β ladder)trans-140.9120.1-176.7172.364.2000109.6L16 L39 V46 V50 L52 L82 F84L16-L37 HydrophobicContact CB-CB 4.41Å; L16-L37 HydrophobicContact CD2-CD2 4.43Å; L16-L37 PolarHBondContact N-O 3.35Å; L16-L37 PolarHBondContact O-N 3.46Å; L37-L39 PolarHBondContact O-N 3.31Å; L37-V46 HydrophobicContact CD2-CG2 4.35Å; L37-V50 HydrophobicContact CD1-CG1 4.13Å; L37-V50 HydrophobicContact CD2-CG1 4.19Å; L37-L52 HydrophobicContact CB-CD1 3.89Å; L37-L52 HydrophobicContact CD1-CD2 4.41Å; L37-L52 HydrophobicContact CD2-CD1 4.33Å; L37-L82 HydrophobicContact CD2-CD1 3.91Å; L37-F84 HydrophobicContact CD2-CE2 3.77Å; L37-F84 HydrophobicContact CD2-CZ 3.72Å
38P95.6Very high92.7Very high12 Ų1254.9 Ų54.98%0.07828%0.282CS..EExtended strand (participates in β ladder)trans-63.5131.9166.226.9-33.7000109.6M15 Y40 P66 S69 W226M15-P38 WeakPolarHBondContact SD-CA 3.41Å; M15-P38 HydrophobicContact SD-CB 3.69Å; P38-Y40 VanDerWaalsContact C-N 3.3Å; P38-P66 HydrophobicContact CB-CG 4.27Å; P38-P66 HydrophobicContact CG-CB 4.43Å; P38-S69 VanDerWaalsContact CD-CB 3.48Å; P38-S69 WeakPolarHBondContact CD-OG 3.43Å; P38-W226 HydrophobicContact CB-CH2 4.37Å; P38-W226 HydrophobicContact CB-CZ2 3.92Å
39L94.8Very high93Very high21 Ų2151.2 Ų51.211%0.1127%0.271CS..SBendtrans-75.6-24.1178.9-70.7-178.9000112.3L10 S14 L16 L37 F45 V46 F84L10-L39 HydrophobicContact CD1-CD1 3.87Å; S14-L39 PolarHBondContact O-N 2.96Å; L16-L39 HydrophobicContact CB-CD2 3.83Å; L16-L39 HydrophobicContact CB-CG 4.19Å; L16-L39 HydrophobicContact CD2-CD2 4.38Å; L37-L39 PolarHBondContact O-N 3.31Å; L39-F45 HydrophobicContact CB-CD2 4.33Å; L39-F45 HydrophobicContact CB-CE2 3.88Å; L39-F45 HydrophobicContact CD1-CE2 4.27Å; L39-F45 HydrophobicContact CD2-CE2 4.46Å; L39-F45 HydrophobicContact CD2-CZ 4.41Å; L39-F45 HydrophobicContact CG-CE2 4.44Å; L39-F45 CarbonylContact O-C 3.54Å; L39-F45 WeakPolarHBondContact O-CA 3.31Å; L39-V46 HydrophobicContact CD2-CG1 3.86Å; L39-V46 PolarHBondContact O-N 2.83Å; L39-F84 HydrophobicContact CD2-CE1 4.29Å
40Y92.8Very high93.3Very high8 Ų848 Ų483%0.03125%0.25CS..EExtended strand (participates in β ladder)trans-116.4134.7174.1-64.1-82.4000111V7 L10 P11 Y12 P38 T44 F45 Y92V7-Y40 PolarHBondContact O-OH 3.37Å; L10-Y40 HydrophobicContact CB-CE2 4.04Å; P11-Y40 WeakPolarHBondContact O-CE2 3.47Å; Y12-Y40 HydrophobicContact CD2-CG 4.05Å; Y12-Y40 HydrophobicContact CE2-CG 4.39Å; Y12-Y40 WeakPolarHBondContact O-CD2 2.89Å; P38-Y40 VanDerWaalsContact C-N 3.3Å; Y40-T44 CarbonylContact C-O 3.49Å; Y40-T44 VanDerWaalsContact CA-O 3.27Å; Y40-T44 WeakPolarHBondContact CA-O 3.42Å; Y40-F45 HydrophobicContact CD1-CB 4.08Å; Y40-F45 HydrophobicContact CD1-CD2 4.11Å; Y40-F45 HydrophobicContact CE1-CB 3.84Å; Y40-F45 AromaticContact CE1-CD2 3.65Å; Y40-F45 HydrophobicContact CE1-CD2 3.65Å; Y40-F45 HydrophobicContact CE1-CG 4.24Å; Y40-F45 HydrophobicContact CE2-CD2 4.2Å; Y40-F45 AromaticContact CZ-CD2 3.7Å; Y40-Y92 HydrophobicContact CE1-CD2 4.27Å; Y40-Y92 HydrophobicContact CE2-CD2 4.35Å
41S87.3Confident93.4Very high58 Ų5846.9 Ų46.941%0.40625%0.247SC..EExtended strand (participates in β ladder)trans-131.2129.6168.7-169.30000108.2R43 T44S41-R43 PolarHBondContact O-N 3.35Å; S41-R43 VanDerWaalsContact O-N 3.16Å; S41-T44 PolarHBondContact N-O 3.34Å; S41-T44 PolarHBondContact O-N 3.28Å; S41-T44 PolarHBondContact O-OG1 2.82Å
42D87Confident93.6Very high118 Ų11843.3 Ų43.363%0.63123%0.229SC*.THydrogen-bonded Turntrans49.942.8-179.7-53.6-45.4000113.3Y12 T44Y12-D42 PolarHBondContact OH-N 3.28Å; D42-T44 PolarHBondContact O-N 2.93Å; D42-T44 VanDerWaalsContact O-N 3.15Å
43R90Very high93.8Very high128 Ų12839.1 Ų39.148%0.48321%0.208SC..THydrogen-bonded Turntrans66.60.2-175.1-53.2-178.3179.3-178.6-0.6115.8Y12 S41 E91 Y92Y12-R43 HydrophobicContact CE2-CG 4.29Å; Y12-R43 PolarHBondContact OH-N 2.81Å; S41-R43 PolarHBondContact O-N 3.35Å; S41-R43 VanDerWaalsContact O-N 3.16Å; R43-E91 HydrophobicContact CB-CG 4.23Å; R43-E91 CarbonylContact O-C 3.5Å; R43-E91 VanDerWaalsContact O-CA 3.31Å; R43-E91 WeakPolarHBondContact O-CA 3.49Å; R43-Y92 PolarHBondContact O-N 3.3Å
44T93.1Very high93.8Very high55 Ų5539.2 Ų39.234%0.33721%0.208SC..EExtended strand (participates in β ladder)trans-97.8137176.763.90000111.3Y40 S41 D42Y40-T44 CarbonylContact C-O 3.49Å; Y40-T44 VanDerWaalsContact CA-O 3.27Å; Y40-T44 WeakPolarHBondContact CA-O 3.42Å; S41-T44 PolarHBondContact N-O 3.34Å; S41-T44 PolarHBondContact O-N 3.28Å; S41-T44 PolarHBondContact O-OG1 2.82Å; D42-T44 PolarHBondContact O-N 2.93Å; D42-T44 VanDerWaalsContact O-N 3.15Å
45F94.6Very high93.7Very high40 Ų4039.7 Ų39.718%0.17521%0.212CC..EExtended strand (participates in β ladder)trans-72.2143.9172.7-169-100.2000110.5V7 L10 L39 Y40 W90V7-F45 HydrophobicContact CG1-CD2 4.01Å; V7-F45 HydrophobicContact CG1-CE2 4.17Å; V7-F45 HydrophobicContact CG1-CG 4.32Å; V7-F45 HydrophobicContact CG2-CE2 4.49Å; V7-F45 HydrophobicContact CG2-CZ 4.25Å; L10-F45 HydrophobicContact CD1-CE2 3.97Å; L39-F45 HydrophobicContact CB-CD2 4.33Å; L39-F45 HydrophobicContact CB-CE2 3.88Å; L39-F45 HydrophobicContact CD1-CE2 4.27Å; L39-F45 HydrophobicContact CD2-CE2 4.46Å; L39-F45 HydrophobicContact CD2-CZ 4.41Å; L39-F45 HydrophobicContact CG-CE2 4.44Å; L39-F45 CarbonylContact O-C 3.54Å; L39-F45 WeakPolarHBondContact O-CA 3.31Å; Y40-F45 HydrophobicContact CD1-CB 4.08Å; Y40-F45 HydrophobicContact CD1-CD2 4.11Å; Y40-F45 HydrophobicContact CE1-CB 3.84Å; Y40-F45 AromaticContact CE1-CD2 3.65Å; Y40-F45 HydrophobicContact CE1-CD2 3.65Å; Y40-F45 HydrophobicContact CE1-CG 4.24Å; Y40-F45 HydrophobicContact CE2-CD2 4.2Å; Y40-F45 AromaticContact CZ-CD2 3.7Å; F45-W90 HydrophobicContact CB-CB 3.77Å; F45-W90 PolarHBondContact N-O 3Å
46V94.3Very high93.5Very high20 Ų2044.3 Ų44.312%0.12124%0.244CC..PPolyproline II helixtrans-58.1135.7179.962.90000111.9L37 L39 V50 F84L37-V46 HydrophobicContact CD2-CG2 4.35Å; L39-V46 HydrophobicContact CD2-CG1 3.86Å; L39-V46 PolarHBondContact O-N 2.83Å; V46-V50 HydrophobicContact CG2-CG2 3.62Å; V46-F84 HydrophobicContact CG1-CD1 3.63Å; V46-F84 HydrophobicContact CG1-CD2 4.26Å; V46-F84 HydrophobicContact CG1-CE1 3.56Å; V46-F84 HydrophobicContact CG1-CE2 4.2Å; V46-F84 HydrophobicContact CG1-CG 3.98Å; V46-F84 HydrophobicContact CG1-CZ 3.86Å; V46-F84 HydrophobicContact CG2-CD2 3.87Å; V46-F84 HydrophobicContact CG2-CE2 3.97Å; V46-F84 HydrophobicContact CG2-CG 4.24Å; V46-F84 HydrophobicContact CG2-CZ 4.43Å
47R93.8Very high93.2Very high143 Ų14346.1 Ų46.154%0.5425%0.254SS..  trans-139.3155-177.469.2178.4-170.9-169.7-3.5112.5E89R47-E89 IonicContact CZ-OE2 3.14Å; R47-E89 IonicContact NH1-OE2 2.82Å; R47-E89 PolarHBondContact NH1-OE2 3.06Å
48G94.4Very high92.9Very high15 Ų1550.1 Ų50.116%0.15528%0.28CS..EExtended strand (participates in β ladder)trans63.6-157176.100000114.1F84G48-F84 WeakPolarHBondContact CA-O 3.28Å; G48-F84 PolarHBondContact N-O 2.81Å; G48-F84 PolarHBondContact O-N 3.28Å
49A95Very high92.6Very high65 Ų6552.4 Ų52.454%0.53729%0.289SS..EExtended strand (participates in β ladder)trans-75.1125.6-176.900000112.1L82 E83A49-L82 CarbonylContact C-O 3.54Å; A49-L82 WeakPolarHBondContact CA-O 3.28Å; A49-E83 WeakPolarHBondContact CA-OE2 3.49Å; A49-E83 VanDerWaalsContact CB-OE1 3.27Å; A49-E83 WeakPolarHBondContact CB-OE1 3.37Å; A49-E83 PolarHBondContact N-OE2 3.4Å
50V95.1Very high92.1Very high12 Ų1253.1 Ų53.17%0.07329%0.293CS..EExtended strand (participates in β ladder)trans-123.1127.7175.1-177.60000110L37 V46 L52 Q81 L82 F84L37-V50 HydrophobicContact CD1-CG1 4.13Å; L37-V50 HydrophobicContact CD2-CG1 4.19Å; V46-V50 HydrophobicContact CG2-CG2 3.62Å; V50-L52 HydrophobicContact CG1-CD2 4.22Å; V50-L52 HydrophobicContact CG1-CG 4.24Å; V50-Q81 WeakPolarHBondContact O-CA 3.39Å; V50-L82 HydrophobicContact CB-CB 4.49Å; V50-L82 PolarHBondContact N-O 3Å; V50-L82 PolarHBondContact O-N 2.97Å; V50-F84 HydrophobicContact CB-CE2 4.41Å; V50-F84 HydrophobicContact CG2-CD2 4.07Å; V50-F84 HydrophobicContact CG2-CE2 4.17Å
51L95.1Very high91.6Very high101 Ų10158.8 Ų58.853%0.52933%0.33SS..EExtended strand (participates in β ladder)trans-100.2129.6174.5-59.3179.3000110.3I79 Q81L51-I79 HydrophobicContact CB-CG2 4.2Å; L51-I79 HydrophobicContact CD2-CG2 4.2Å; L51-Q81 HydrophobicContact CD2-CB 3.64Å; L51-Q81 HydrophobicContact CD2-CG 3.77Å
52L95.6Very high91.3Very high0 Ų057.9 Ų57.90%032%0.319CS..EExtended strand (participates in β ladder)trans-128.5125.9176.2-62.5175000110.4L18 A35 L37 V50 H72 R73 I79 L80 L82L18-L52 HydrophobicContact CD1-CD1 3.74Å; A35-L52 HydrophobicContact CB-CB 4.12Å; A35-L52 HydrophobicContact CB-CD1 4.22Å; L37-L52 HydrophobicContact CB-CD1 3.89Å; L37-L52 HydrophobicContact CD1-CD2 4.41Å; L37-L52 HydrophobicContact CD2-CD1 4.33Å; V50-L52 HydrophobicContact CG1-CD2 4.22Å; V50-L52 HydrophobicContact CG1-CG 4.24Å; L52-H72 CarbonylContact C-O 3.52Å; L52-H72 WeakPolarHBondContact CA-O 3.42Å; L52-R73 HydrophobicContact CD2-CG 4.34Å; L52-I79 CarbonylContact O-C 3.58Å; L52-I79 WeakPolarHBondContact O-CA 3.48Å; L52-L80 PolarHBondContact N-O 3.45Å; L52-L80 PolarHBondContact O-N 2.73Å; L52-L82 HydrophobicContact CD1-CD1 3.71Å
53S95.4Very high91.2Very high10 Ų1055.8 Ų55.87%0.0731%0.312CS..EExtended strand (participates in β ladder)trans-69.4127.7161.7170.70000109.9H72 Q74 K76 V78S53-H72 WeakPolarHBondContact CB-O 3.31Å; S53-H72 PolarHBondContact N-O 2.99Å; S53-H72 WeakPolarHBondContact O-CB 3.35Å; S53-Q74 WeakPolarHBondContact CB-O 3.2Å; S53-K76 WeakPolarHBondContact CB-O 3.35Å; S53-K76 PolarHBondContact OG-O 2.9Å; S53-V78 CarbonylContact C-O 3.57Å; S53-V78 WeakPolarHBondContact CA-O 3.5Å
54M94.4Very high91.2Very high10 Ų1051.5 Ų51.55%0.04930%0.301CS..EExtended strand (participates in β ladder)trans-88.6124.4176.2-52.4-163.271.600110.2L20 S33 W34 A35 V78 L80L20-M54 HydrophobicContact CB-CE 3.63Å; L20-M54 HydrophobicContact CB-SD 4.06Å; L20-M54 HydrophobicContact CD2-SD 4.35Å; S33-M54 WeakPolarHBondContact OG-CB 3.19Å; W34-M54 CarbonylContact O-C 3.52Å; W34-M54 WeakPolarHBondContact O-CA 3.25Å; A35-M54 HydrophobicContact CB-CG 4.42Å; M54-V78 HydrophobicContact CB-CB 4.34Å; M54-V78 HydrophobicContact CB-CG1 4.48Å; M54-V78 HydrophobicContact CG-CG1 4.32Å; M54-V78 PolarHBondContact N-O 3.44Å; M54-V78 HydrophobicContact SD-CG1 4.27Å; M54-L80 HydrophobicContact CE-CD2 4.46Å; M54-L80 HydrophobicContact CG-CB 4.01Å; M54-L80 HydrophobicContact SD-CB 4.02Å; M54-L80 HydrophobicContact SD-CD2 4.26Å
55S92.8Very high91.2Very high17 Ų1749.3 Ų49.312%0.11929%0.288CS..BIsolated β-bridgetrans-78.2137.6177.6-178.10000111.7S33 W34 L57 H72S33-S55 CarbonylContact C-O 3.58Å; S33-S55 WeakPolarHBondContact CA-O 3.19Å; S33-S55 VanDerWaalsContact CB-O 3.24Å; S33-S55 WeakPolarHBondContact CB-O 3.32Å; W34-S55 PolarHBondContact N-O 3.47Å; W34-S55 PolarHBondContact O-N 2.86Å; S55-L57 VanDerWaalsContact C-N 3.35Å; S55-L57 VanDerWaalsContact OG-CB 3.31Å; S55-L57 WeakPolarHBondContact OG-CB 3.22Å; S55-L57 WeakPolarHBondContact OG-CG 3.41Å; S55-L57 PolarHBondContact OG-N 2.98Å; S55-L57 VanDerWaalsContact OG-N 3.12Å; S55-H72 WeakPolarHBondContact CB-NE2 3.28Å
56S90.6Very high91Very high96 Ų9648 Ų4867%0.67128%0.283SS*.  trans-923.4169.268.50000112.9
57L90.6Very high90.9Very high40 Ų4047 Ų4721%0.20928%0.277CS..SBendtrans-68.1158.4176.5-63.6174.5000110.4W34 S55 R261 Y262W34-L57 PolarHBondContact NE1-O 3.35Å; S55-L57 VanDerWaalsContact C-N 3.35Å; S55-L57 VanDerWaalsContact OG-CB 3.31Å; S55-L57 WeakPolarHBondContact OG-CB 3.22Å; S55-L57 WeakPolarHBondContact OG-CG 3.41Å; S55-L57 PolarHBondContact OG-N 2.98Å; S55-L57 VanDerWaalsContact OG-N 3.12Å; L57-R261 HydrophobicContact CD1-CB 3.86Å; L57-R261 HydrophobicContact CD2-CB 4.42Å; L57-Y262 HydrophobicContact CB-CD1 4.47Å; L57-Y262 HydrophobicContact CB-CE1 3.54Å; L57-Y262 HydrophobicContact CD1-CD1 3.73Å; L57-Y262 HydrophobicContact CD1-CE1 3.55Å; L57-Y262 HydrophobicContact CD1-CG 4.29Å; L57-Y262 HydrophobicContact CG-CE1 4.18Å
58P89.6Confident90.8Very high84 Ų8440.4 Ų40.455%0.54525%0.253SS..PPolyproline II helixtrans-55.9143.9168.2-24.234.5000111.7Y262P58-Y262 WeakPolarHBondContact O-CE1 3.32Å; P58-Y262 PolarHBondContact O-OH 3.32Å
59E87.9Confident90.7Very high60 Ų6039.7 Ų39.728%0.2825%0.246SC..PPolyproline II helixtrans-66.4138.9170.3-80.3-177.6-149.300110.4R19 L31 W34R19-E59 WeakPolarHBondContact CD-OE1 3.31Å; R19-E59 VanDerWaalsContact CG-OE1 3.31Å; R19-E59 WeakPolarHBondContact CG-OE1 3.2Å; R19-E59 IonicContact CZ-OE1 3.52Å; R19-E59 IonicContact CZ-OE2 3.82Å; R19-E59 VanDerWaalsContact CZ-OE2 3.24Å; R19-E59 IonicContact NE-OE1 2.89Å; R19-E59 PolarHBondContact NE-OE1 3.44Å; R19-E59 IonicContact NE-OE2 3.11Å; R19-E59 PolarHBondContact NE-OE2 3.42Å; R19-E59 IonicContact NH2-OE1 3.21Å; R19-E59 IonicContact NH2-OE2 3.75Å; R19-E59 PolarHBondContact NH2-OE2 2.98Å; L31-E59 HydrophobicContact CD2-CG 3.94Å; L31-E59 VanDerWaalsContact CD2-OE1 3.31Å; L31-E59 WeakPolarHBondContact CD2-OE1 3.35Å; W34-E59 HydrophobicContact CB-CG 4.4Å; W34-E59 HydrophobicContact CD2-CG 3.66Å; W34-E59 HydrophobicContact CE3-CG 4.34Å; W34-E59 HydrophobicContact CG-CG 3.64Å; W34-E59 HydrophobicContact CZ2-CG 4.31Å
60L85.3Confident90.6Very high36 Ų3637.9 Ų37.919%0.18823%0.227CC..PPolyproline II helixtrans-74.3144.2176.1-65.3169.1000110.1F62 L68 Y262 F263L60-F62 HydrophobicContact CB-CD1 4.4Å; L60-F62 HydrophobicContact CB-CD2 4.1Å; L60-F62 HydrophobicContact CB-CE1 4.07Å; L60-F62 HydrophobicContact CB-CE2 3.77Å; L60-F62 HydrophobicContact CB-CG 4.42Å; L60-F62 HydrophobicContact CB-CZ 3.75Å; L60-F62 HydrophobicContact CD1-CE2 3.53Å; L60-F62 HydrophobicContact CD1-CZ 3.62Å; L60-F62 HydrophobicContact CD2-CE1 4.1Å; L60-F62 HydrophobicContact CD2-CE2 4.4Å; L60-F62 HydrophobicContact CD2-CZ 3.69Å; L60-F62 HydrophobicContact CG-CE1 4.49Å; L60-F62 HydrophobicContact CG-CE2 4.08Å; L60-F62 HydrophobicContact CG-CZ 3.87Å; L60-F62 PolarHBondContact O-N 3.27Å; L60-L68 HydrophobicContact CD1-CD2 4.31Å; L60-Y262 HydrophobicContact CD1-CD1 3.89Å; L60-Y262 HydrophobicContact CD1-CD2 4.34Å; L60-Y262 HydrophobicContact CD1-CE1 4.25Å; L60-Y262 HydrophobicContact CD1-CG 3.94Å; L60-Y262 HydrophobicContact CD2-CD1 4.49Å; L60-Y262 HydrophobicContact CD2-CD2 4.1Å; L60-Y262 HydrophobicContact CD2-CE1 4.17Å; L60-Y262 HydrophobicContact CD2-CE2 3.75Å; L60-Y262 HydrophobicContact CD2-CG 4.46Å; L60-Y262 HydrophobicContact CG-CD1 4.2Å; L60-Y262 HydrophobicContact CG-CE1 4.03Å; L60-Y262 HydrophobicContact CG-CE2 4.45Å; L60-Y262 HydrophobicContact CG-CG 4.49Å; L60-F263 HydrophobicContact CD1-CE2 3.93Å; L60-F263 HydrophobicContact CD1-CZ 3.97Å
61P81.1Confident90.3Very high126 Ų12638.6 Ų38.682%0.81823%0.232SC*.SBendtrans-76.9-3.3-177.431.2-35.1000113.7
62F82.1Confident90.2Very high40 Ų4034 Ų3418%0.17521%0.208CC..SBendtrans-112.1159.2-178.442.4-96.9000111.6L60 P188 F263L60-F62 HydrophobicContact CB-CD1 4.4Å; L60-F62 HydrophobicContact CB-CD2 4.1Å; L60-F62 HydrophobicContact CB-CE1 4.07Å; L60-F62 HydrophobicContact CB-CE2 3.77Å; L60-F62 HydrophobicContact CB-CG 4.42Å; L60-F62 HydrophobicContact CB-CZ 3.75Å; L60-F62 HydrophobicContact CD1-CE2 3.53Å; L60-F62 HydrophobicContact CD1-CZ 3.62Å; L60-F62 HydrophobicContact CD2-CE1 4.1Å; L60-F62 HydrophobicContact CD2-CE2 4.4Å; L60-F62 HydrophobicContact CD2-CZ 3.69Å; L60-F62 HydrophobicContact CG-CE1 4.49Å; L60-F62 HydrophobicContact CG-CE2 4.08Å; L60-F62 HydrophobicContact CG-CZ 3.87Å; L60-F62 PolarHBondContact O-N 3.27Å; F62-P188 HydrophobicContact CB-CB 4.07Å; F62-P188 HydrophobicContact CB-CG 4.42Å; F62-F263 HydrophobicContact CE2-CE2 4.49Å; F62-F263 HydrophobicContact CE2-CZ 4.26Å
63P85.6Confident89.9Confident74 Ų7439.5 Ų39.548%0.48123%0.229SC..  trans-54137177.8-25.334.8000111.9
64P90.1Very high89.5Confident38 Ų3842 Ų4225%0.24724%0.239CC..  trans-71.2154.4178.531.1-35.3000111M15 V36 L68M15-P64 HydrophobicContact CB-CG 4.02Å; M15-P64 HydrophobicContact CE-CB 4.14Å; M15-P64 HydrophobicContact CE-CG 4.34Å; M15-P64 HydrophobicContact CG-CG 4.21Å; V36-P64 HydrophobicContact CB-CB 4.16Å; V36-P64 HydrophobicContact CG1-CB 3.76Å; V36-P64 HydrophobicContact CG1-CG 4.01Å; V36-P64 HydrophobicContact CG2-CB 4.15Å; P64-L68 HydrophobicContact CB-CD2 3.92Å
65S91.2Very high89.2Confident8 Ų847 Ų476%0.05627%0.272CS..  trans-120.7167.317665.90000111.5M15 A67 L68 S69 K223M15-S65 WeakPolarHBondContact CE-O 3.5Å; S65-A67 PolarHBondContact O-N 3.05Å; S65-A67 PolarHBondContact OG-N 2.85Å; S65-L68 WeakPolarHBondContact O-CB 3.35Å; S65-L68 PolarHBondContact O-N 3.41Å; S65-L68 VanDerWaalsContact O-N 3.16Å; S65-S69 PolarHBondContact O-N 3.14Å; S65-K223 VanDerWaalsContact CB-O 3.25Å; S65-K223 WeakPolarHBondContact CB-O 3.37Å; S65-K223 PolarHBondContact OG-O 3.15Å
66P92.2Very high88.8Confident13 Ų1351.6 Ų51.68%0.08429%0.29CS..Hα-helixtrans-57.8-31.9171.5-29.640.2000113.6M15 P38 L68 S69 D70 W226M15-P66 HydrophobicContact SD-CG 4.39Å; P38-P66 HydrophobicContact CB-CG 4.27Å; P38-P66 HydrophobicContact CG-CB 4.43Å; P66-L68 PolarHBondContact O-N 2.99Å; P66-S69 WeakPolarHBondContact O-CA 3.33Å; P66-S69 WeakPolarHBondContact O-CB 3.45Å; P66-S69 PolarHBondContact O-N 2.84Å; P66-D70 PolarHBondContact O-N 2.93Å; P66-W226 WeakPolarHBondContact CB-O 3.44Å; P66-W226 HydrophobicContact CG-CD2 3.51Å; P66-W226 HydrophobicContact CG-CE3 3.65Å; P66-W226 HydrophobicContact CG-CG 3.96Å; P66-W226 HydrophobicContact CG-CH2 4.08Å; P66-W226 HydrophobicContact CG-CZ2 3.99Å; P66-W226 HydrophobicContact CG-CZ3 3.93Å; P66-W226 WeakPolarHBondContact CG-O 3.5Å
67A91.8Very high88.5Confident0 Ų053.8 Ų53.80%029%0.294CS..Hα-helixtrans-57.2-34.6175.900000113.2S65 D70 F263 W266S65-A67 PolarHBondContact O-N 3.05Å; S65-A67 PolarHBondContact OG-N 2.85Å; A67-D70 WeakPolarHBondContact O-CB 3.43Å; A67-F263 HydrophobicContact CB-CD1 3.78Å; A67-F263 HydrophobicContact CB-CE1 4.14Å; A67-W266 HydrophobicContact CB-CB 3.92Å; A67-W266 HydrophobicContact CB-CD2 3.54Å; A67-W266 HydrophobicContact CB-CE3 4.06Å; A67-W266 HydrophobicContact CB-CG 3.47Å; A67-W266 VanDerWaalsContact CB-CG 3.47Å; A67-W266 HydrophobicContact CB-CZ2 4.45Å
68L92Very high88.5Confident3 Ų355.4 Ų55.42%0.01631%0.306CS..Hα-helixtrans-76.4-34.6174.4178.362.8000112.4W34 V36 L60 P64 S65 P66 D70 S71 H72 Y262 F263W34-L68 HydrophobicContact CH2-CD1 4.09Å; W34-L68 HydrophobicContact CH2-CD2 3.71Å; W34-L68 HydrophobicContact CH2-CG 4.27Å; W34-L68 HydrophobicContact CZ3-CD2 3.76Å; W34-L68 HydrophobicContact CZ3-CG 4.35Å; V36-L68 HydrophobicContact CG2-CB 4.2Å; V36-L68 HydrophobicContact CG2-CD2 3.88Å; V36-L68 HydrophobicContact CG2-CG 3.78Å; L60-L68 HydrophobicContact CD1-CD2 4.31Å; P64-L68 HydrophobicContact CB-CD2 3.92Å; S65-L68 WeakPolarHBondContact O-CB 3.35Å; S65-L68 PolarHBondContact O-N 3.41Å; S65-L68 VanDerWaalsContact O-N 3.16Å; P66-L68 PolarHBondContact O-N 2.99Å; L68-D70 PolarHBondContact O-N 2.83Å; L68-S71 PolarHBondContact O-N 3.21Å; L68-S71 PolarHBondContact O-OG 3.42Å; L68-H72 PolarHBondContact O-ND1 3.14Å; L68-Y262 HydrophobicContact CD1-CD1 3.92Å; L68-Y262 HydrophobicContact CD1-CG 4.37Å; L68-F263 HydrophobicContact CB-CD1 4.4Å; L68-F263 HydrophobicContact CB-CE1 3.74Å; L68-F263 HydrophobicContact CB-CZ 4.31Å
69S92.5Very high88.8Confident1 Ų155.8 Ų55.81%0.00730%0.303CS..Hα-helixtrans-64.1-29.3174.9-169.60000112.1V36 P38 S65 P66 S71 H72 R73V36-S69 WeakPolarHBondContact O-CB 3.46Å; V36-S69 PolarHBondContact O-OG 3.23Å; P38-S69 VanDerWaalsContact CD-CB 3.48Å; P38-S69 WeakPolarHBondContact CD-OG 3.43Å; S65-S69 PolarHBondContact O-N 3.14Å; P66-S69 WeakPolarHBondContact O-CA 3.33Å; P66-S69 WeakPolarHBondContact O-CB 3.45Å; P66-S69 PolarHBondContact O-N 2.84Å; S69-S71 VanDerWaalsContact C-N 3.27Å; S69-S71 PolarHBondContact O-N 2.86Å; S69-H72 CarbonylContact O-C 3.18Å; S69-H72 PolarHBondContact O-N 3.25Å; S69-R73 WeakPolarHBondContact O-CG 3.48Å; S69-R73 PolarHBondContact O-N 3.12Å
70D91.4Very high89.1Confident27 Ų2755.4 Ų55.414%0.14430%0.302CS..Hα-helixtrans-55.2-40.1177.7-165.663.2000113.1P66 A67 L68 R73 S265 W266 K269P66-D70 PolarHBondContact O-N 2.93Å; A67-D70 WeakPolarHBondContact O-CB 3.43Å; L68-D70 PolarHBondContact O-N 2.83Å; D70-R73 PolarHBondContact O-N 3.07Å; D70-S265 VanDerWaalsContact OD2-CB 3.25Å; D70-S265 WeakPolarHBondContact OD2-CB 3.36Å; D70-S265 PolarHBondContact OD2-OG 3.29Å; D70-W266 HydrophobicContact CB-CE3 4.14Å; D70-K269 IonicContact OD1-NZ 2.63Å; D70-K269 PolarHBondContact OD1-NZ 3.3Å; D70-K269 IonicContact OD2-NZ 3.94Å; D70-K269 PolarHBondContact OD2-NZ 3.47Å
71S89.3Confident89.5Confident27 Ų2759.3 Ų59.319%0.18932%0.319CS..Hα-helixtrans-73.1-36176.5650000112.1L68 S69 R73 Q74 Y262L68-S71 PolarHBondContact O-N 3.21Å; L68-S71 PolarHBondContact O-OG 3.42Å; S69-S71 VanDerWaalsContact C-N 3.27Å; S69-S71 PolarHBondContact O-N 2.86Å; S71-R73 PolarHBondContact O-N 3.43Å; S71-Q74 WeakPolarHBondContact O-CB 3.07Å; S71-Q74 PolarHBondContact O-N 3.13Å; S71-Y262 PolarHBondContact OG-O 2.82Å
72H92.6Very high90.2Very high4 Ų454.7 Ų54.72%0.01929%0.287CS..Hα-helixtrans-69.4-17.3175.7-60.4148.5000113.7W34 V36 L52 S53 S55 L68 S69 Q74W34-H72 AromaticContact CZ3-CE1 3.61Å; V36-H72 WeakPolarHBondContact CG2-ND1 3.35Å; V36-H72 PolarHBondContact N-ND1 3.36Å; L52-H72 CarbonylContact C-O 3.52Å; L52-H72 WeakPolarHBondContact CA-O 3.42Å; S53-H72 WeakPolarHBondContact CB-O 3.31Å; S53-H72 PolarHBondContact N-O 2.99Å; S53-H72 WeakPolarHBondContact O-CB 3.35Å; S55-H72 WeakPolarHBondContact CB-NE2 3.28Å; L68-H72 PolarHBondContact O-ND1 3.14Å; S69-H72 CarbonylContact O-C 3.18Å; S69-H72 PolarHBondContact O-N 3.25Å; H72-Q74 VanDerWaalsContact C-N 3.27Å
73R89.7Confident90.8Very high115 Ų11558.7 Ų58.743%0.43431%0.307SS..THydrogen-bonded Turntrans-81-6.9173.9-70.8-179.3-177.3-85.810113.4L52 S69 D70 S71L52-R73 HydrophobicContact CD2-CG 4.34Å; S69-R73 WeakPolarHBondContact O-CG 3.48Å; S69-R73 PolarHBondContact O-N 3.12Å; D70-R73 PolarHBondContact O-N 3.07Å; S71-R73 PolarHBondContact O-N 3.43Å
74Q87.3Confident91.1Very high63 Ų6357.1 Ų57.129%0.29429%0.293SS..SBendtrans-82.8134.8174.4-58.2-174.3-2.500110S53 S71 H72 K76 S265S53-Q74 WeakPolarHBondContact CB-O 3.2Å; S71-Q74 WeakPolarHBondContact O-CB 3.07Å; S71-Q74 PolarHBondContact O-N 3.13Å; H72-Q74 VanDerWaalsContact C-N 3.27Å; Q74-K76 PolarHBondContact O-N 3.03Å; Q74-S265 PolarHBondContact NE2-OG 3.35Å
75P87.1Confident91.1Very high114 Ų11460.2 Ų60.274%0.7431%0.307SS*.  trans-73.791.6-178.630.1-34.5000110.8I79P75-I79 HydrophobicContact CB-CD1 4.22Å
76K84.9Confident91Very high114 Ų11465.4 Ų65.450%0.49633%0.334SS..  trans-130.8153.3177.9-68.4178.1176.1164.40110.2S53 Q74 V78S53-K76 WeakPolarHBondContact CB-O 3.35Å; S53-K76 PolarHBondContact OG-O 2.9Å; Q74-K76 PolarHBondContact O-N 3.03Å; K76-V78 PolarHBondContact O-N 3.2Å; K76-V78 VanDerWaalsContact O-N 3.17Å
77D83.9Confident90.9Very high142 Ų14272.6 Ų72.676%0.75937%0.367SS*.SBendtrans45.9-113.3172.9-56.3-44.1000115.2
78V91.6Very high90.6Very high74 Ų7476 Ų7645%0.44839%0.39SS..EExtended strand (participates in β ladder)trans-95.2121.7-177.8176.40000109.6S53 M54 K76S53-V78 CarbonylContact C-O 3.57Å; S53-V78 WeakPolarHBondContact CA-O 3.5Å; M54-V78 HydrophobicContact CB-CB 4.34Å; M54-V78 HydrophobicContact CB-CG1 4.48Å; M54-V78 HydrophobicContact CG-CG1 4.32Å; M54-V78 PolarHBondContact N-O 3.44Å; M54-V78 HydrophobicContact SD-CG1 4.27Å; K76-V78 PolarHBondContact O-N 3.2Å; K76-V78 VanDerWaalsContact O-N 3.17Å
79I94.6Very high90.4Very high93 Ų9382.2 Ų82.248%0.47742%0.419SS..EExtended strand (participates in β ladder)trans-102127.4179.3-57.5175.5000110.1L51 L52 P75L51-I79 HydrophobicContact CB-CG2 4.2Å; L51-I79 HydrophobicContact CD2-CG2 4.2Å; L52-I79 CarbonylContact O-C 3.58Å; L52-I79 WeakPolarHBondContact O-CA 3.48Å; P75-I79 HydrophobicContact CB-CD1 4.22Å
80L94.6Very high90.3Very high51 Ų5188.4 Ų88.427%0.26744%0.442SS..EExtended strand (participates in β ladder)trans-104124171.6177.563.4000109.3L18 L52 M54 L82L18-L80 HydrophobicContact CB-CD2 4.17Å; L18-L80 HydrophobicContact CD1-CD2 3.9Å; L18-L80 HydrophobicContact CD2-CD2 4.3Å; L18-L80 HydrophobicContact CG-CD2 4.34Å; L52-L80 PolarHBondContact N-O 3.45Å; L52-L80 PolarHBondContact O-N 2.73Å; M54-L80 HydrophobicContact CE-CD2 4.46Å; M54-L80 HydrophobicContact CG-CB 4.01Å; M54-L80 HydrophobicContact SD-CB 4.02Å; M54-L80 HydrophobicContact SD-CD2 4.26Å; L80-L82 HydrophobicContact CD2-CD2 4Å; L80-L82 HydrophobicContact CD2-CG 4.49Å; L80-L82 HydrophobicContact CG-CD2 4.08Å; L80-L82 HydrophobicContact CG-CG 4.36Å
81Q95.2Very high90.4Very high119 Ų11992.9 Ų92.956%0.55646%0.462SS*.EExtended strand (participates in β ladder)trans-94.6130169-177.4173.3-18.300109.8V50 L51 E83V50-Q81 WeakPolarHBondContact O-CA 3.39Å; L51-Q81 HydrophobicContact CD2-CB 3.64Å; L51-Q81 HydrophobicContact CD2-CG 3.77Å; Q81-E83 PolarHBondContact NE2-OE1 3.2Å
82L94.1Very high90.5Very high28 Ų2892.3 Ų92.315%0.14746%0.456CS..EExtended strand (participates in β ladder)trans-115.1140.1173.4-58.5170.6000108.8L16 L18 L37 A49 V50 L52 L80 F84L16-L82 HydrophobicContact CD2-CD1 4.45Å; L18-L82 HydrophobicContact CD1-CD1 3.53Å; L18-L82 HydrophobicContact CD1-CD2 4.15Å; L18-L82 HydrophobicContact CD1-CG 4.35Å; L18-L82 HydrophobicContact CD2-CD2 4.19Å; L37-L82 HydrophobicContact CD2-CD1 3.91Å; A49-L82 CarbonylContact C-O 3.54Å; A49-L82 WeakPolarHBondContact CA-O 3.28Å; V50-L82 HydrophobicContact CB-CB 4.49Å; V50-L82 PolarHBondContact N-O 3Å; V50-L82 PolarHBondContact O-N 2.97Å; L52-L82 HydrophobicContact CD1-CD1 3.71Å; L80-L82 HydrophobicContact CD2-CD2 4Å; L80-L82 HydrophobicContact CD2-CG 4.49Å; L80-L82 HydrophobicContact CG-CD2 4.08Å; L80-L82 HydrophobicContact CG-CG 4.36Å; L82-F84 HydrophobicContact CB-CD2 4.27Å; L82-F84 HydrophobicContact CB-CE2 3.68Å; L82-F84 HydrophobicContact CB-CZ 4.47Å; L82-F84 HydrophobicContact CD1-CE2 3.96Å; L82-F84 HydrophobicContact CD1-CZ 4.21Å; L82-F84 HydrophobicContact CG-CE2 4.49Å
83E94.8Very high90.5Very high124 Ų124102 Ų10258%0.57949%0.492SS*.EExtended strand (participates in β ladder)trans-112.8121.3172.1-67.8-61.2159.100109.1A49 Q81A49-E83 WeakPolarHBondContact CA-OE2 3.49Å; A49-E83 VanDerWaalsContact CB-OE1 3.27Å; A49-E83 WeakPolarHBondContact CB-OE1 3.37Å; A49-E83 PolarHBondContact N-OE2 3.4Å; Q81-E83 PolarHBondContact NE2-OE1 3.2Å
84F93.2Very high90.5Very high42 Ų4298.9 Ų98.918%0.18448%0.48CS..EExtended strand (participates in β ladder)trans-106.4151.2172.6-67.6-92.6000109.9L16 L37 L39 V46 G48 V50 L82 D86L16-F84 HydrophobicContact CD2-CE1 4.44Å; L16-F84 HydrophobicContact CD2-CZ 3.91Å; L37-F84 HydrophobicContact CD2-CE2 3.77Å; L37-F84 HydrophobicContact CD2-CZ 3.72Å; L39-F84 HydrophobicContact CD2-CE1 4.29Å; V46-F84 HydrophobicContact CG1-CD1 3.63Å; V46-F84 HydrophobicContact CG1-CD2 4.26Å; V46-F84 HydrophobicContact CG1-CE1 3.56Å; V46-F84 HydrophobicContact CG1-CE2 4.2Å; V46-F84 HydrophobicContact CG1-CG 3.98Å; V46-F84 HydrophobicContact CG1-CZ 3.86Å; V46-F84 HydrophobicContact CG2-CD2 3.87Å; V46-F84 HydrophobicContact CG2-CE2 3.97Å; V46-F84 HydrophobicContact CG2-CG 4.24Å; V46-F84 HydrophobicContact CG2-CZ 4.43Å; G48-F84 WeakPolarHBondContact CA-O 3.28Å; G48-F84 PolarHBondContact N-O 2.81Å; G48-F84 PolarHBondContact O-N 3.28Å; V50-F84 HydrophobicContact CB-CE2 4.41Å; V50-F84 HydrophobicContact CG2-CD2 4.07Å; V50-F84 HydrophobicContact CG2-CE2 4.17Å; L82-F84 HydrophobicContact CB-CD2 4.27Å; L82-F84 HydrophobicContact CB-CE2 3.68Å; L82-F84 HydrophobicContact CB-CZ 4.47Å; L82-F84 HydrophobicContact CD1-CE2 3.96Å; L82-F84 HydrophobicContact CD1-CZ 4.21Å; L82-F84 HydrophobicContact CG-CE2 4.49Å; F84-D86 PolarHBondContact O-N 3.41Å
85D89.5Confident90.8Very high102 Ų10297.2 Ų97.255%0.54548%0.475SS..  trans-55.5129.3174.6-172.32.6000110.3Q87D85-Q87 VanDerWaalsContact OD1-CB 3.3Å; D85-Q87 WeakPolarHBondContact OD1-CB 3.43Å; D85-Q87 VanDerWaalsContact OD1-CG 3.3Å; D85-Q87 WeakPolarHBondContact OD1-CG 3.46Å; D85-Q87 PolarHBondContact OD1-N 2.73Å
86D89.3Confident91Very high117 Ų11798.2 Ų98.263%0.62647%0.473SS*.  trans-110.82.6-179.268.2-14.3000112.7F84F84-D86 PolarHBondContact O-N 3.41Å
87Q89.3Confident91.3Very high165 Ų16593.2 Ų93.277%0.77145%0.453SS*.SBendtrans-75.7-30-178-62.9-177.48.700113.4D85D85-Q87 VanDerWaalsContact OD1-CB 3.3Å; D85-Q87 WeakPolarHBondContact OD1-CB 3.43Å; D85-Q87 VanDerWaalsContact OD1-CG 3.3Å; D85-Q87 WeakPolarHBondContact OD1-CG 3.46Å; D85-Q87 PolarHBondContact OD1-N 2.73Å
88C85.3Confident91.7Very high72 Ų7290.8 Ų90.849%0.48644%0.439SS..  trans-126.1136.4-176.5-65.80000111
89E88.4Confident91.3Very high133 Ų13392.5 Ų92.562%0.62145%0.452SS*.  trans-97.8122171.4-170.6167.9155.100109.9R47R47-E89 IonicContact CZ-OE2 3.14Å; R47-E89 IonicContact NH1-OE2 2.82Å; R47-E89 PolarHBondContact NH1-OE2 3.06Å
90W91.4Very high90.7Very high131 Ų13191.6 Ų91.650%0.49647%0.465SS..  trans-107.6122.4177.6-66.788.4000110V7 F45V7-W90 HydrophobicContact CG1-CB 4.32Å; V7-W90 HydrophobicContact CG1-CD2 4.15Å; V7-W90 HydrophobicContact CG1-CE3 4.43Å; V7-W90 HydrophobicContact CG1-CG 4.11Å; F45-W90 HydrophobicContact CB-CB 3.77Å; F45-W90 PolarHBondContact N-O 3Å
91E92.7Very high90.4Very high120 Ų12093 Ų9356%0.56147%0.473SS*.BIsolated β-bridgetrans-105.9127.4173.5-168.2-169.2176.800110.2R43R43-E91 HydrophobicContact CB-CG 4.23Å; R43-E91 CarbonylContact O-C 3.5Å; R43-E91 VanDerWaalsContact O-CA 3.31Å; R43-E91 WeakPolarHBondContact O-CA 3.49Å
92Y92.2Very high90Very high15 Ų1588.1 Ų88.16%0.05945%0.45CS..  trans-78.1122.9175.6-172.9-90.5000111L10 Y12 Y40 R43 R94 P161 L164L10-Y92 WeakPolarHBondContact O-CE2 3.29Å; Y12-Y92 AromaticContact CD2-CD1 3.75Å; Y12-Y92 HydrophobicContact CD2-CD1 3.75Å; Y12-Y92 HydrophobicContact CD2-CE1 4.43Å; Y12-Y92 AromaticContact CD2-CG 3.89Å; Y12-Y92 HydrophobicContact CD2-CG 3.89Å; Y12-Y92 HydrophobicContact CG-CD1 4.06Å; Y12-Y92 HydrophobicContact CG-CE1 4.3Å; Y12-Y92 HydrophobicContact CG-CG 4.48Å; Y40-Y92 HydrophobicContact CE1-CD2 4.27Å; Y40-Y92 HydrophobicContact CE2-CD2 4.35Å; R43-Y92 PolarHBondContact O-N 3.3Å; Y92-R94 HydrophobicContact CD1-CB 4.45Å; Y92-R94 HydrophobicContact CE1-CB 3.95Å; Y92-R94 HydrophobicContact CE1-CG 4.36Å; Y92-P161 HydrophobicContact CE2-CG 4.37Å; Y92-L164 WeakPolarHBondContact OH-CD1 3.48Å
93R91.4Very high89.7Confident207 Ų20791.4 Ų91.478%0.78148%0.475SS*.  trans-102.6111.2171.5-65.5-172.6179.1-178.91109.4P95R93-P95 WeakPolarHBondContact O-CD 3.42Å
94R90.4Very high89.3Confident51 Ų5189.5 Ų89.519%0.19247%0.465CS..  trans-66.5126.6177.4-167.4176.4-68.5-81.76.8109.8E13 Y92 Y168 D192 E193 T194E13-R94 IonicContact OE1-CZ 2.92Å; E13-R94 IonicContact OE1-NH1 3.9Å; E13-R94 PolarHBondContact OE1-NH1 3.28Å; E13-R94 VanDerWaalsContact OE1-NH1 3.11Å; E13-R94 IonicContact OE1-NH2 3.08Å; E13-R94 PolarHBondContact OE1-NH2 3.21Å; E13-R94 IonicContact OE2-NH1 2.69Å; Y92-R94 HydrophobicContact CD1-CB 4.45Å; Y92-R94 HydrophobicContact CE1-CB 3.95Å; Y92-R94 HydrophobicContact CE1-CG 4.36Å; R94-Y168 HydrophobicContact CG-CE2 3.93Å; R94-Y168 PolarHBondContact NH1-OH 3.13Å; R94-D192 IonicContact NH1-OD2 3.3Å; R94-D192 PolarHBondContact NH1-OD2 3.2Å; R94-E193 IonicContact CZ-OE2 3.25Å; R94-E193 IonicContact NE-OE2 3.4Å; R94-E193 VanDerWaalsContact NH2-CB 3.29Å; R94-E193 IonicContact NH2-OE2 2.75Å; R94-E193 PolarHBondContact NH2-OE2 3.11Å; R94-T194 WeakPolarHBondContact CD-OG1 3.32Å
95P92.4Very high89Confident28 Ų2891.3 Ų91.318%0.18248%0.48CS..  trans-60157.5172.3-27.239.4000111.8R93 P161 L164 Y168R93-P95 WeakPolarHBondContact O-CD 3.42Å; P95-P161 WeakPolarHBondContact CG-O 3.41Å; P95-L164 HydrophobicContact CB-CB 4.06Å; P95-L164 HydrophobicContact CG-CB 3.89Å; P95-L164 HydrophobicContact CG-CD1 4.03Å; P95-Y168 HydrophobicContact CB-CE2 4.49Å; P95-Y168 WeakPolarHBondContact O-CD2 3.48Å; P95-Y168 VanDerWaalsContact O-CE2 3.3Å; P95-Y168 WeakPolarHBondContact O-CE2 3.41Å
96I91.5Very high88.8Confident135 Ų13594.6 Ų94.669%0.69249%0.492SS*.  trans-110.2154.1175.161.5176.8000109.1T165I96-T165 WeakPolarHBondContact O-CG2 3.48Å
97A91.8Very high88.7Confident9 Ų989.8 Ų89.87%0.07447%0.467CS..  trans-62.7151.6168.400000110.7E172A97-E172 HydrophobicContact CB-CB 4.47Å; A97-E172 HydrophobicContact CB-CG 4.03Å; A97-E172 VanDerWaalsContact CB-OE1 3.3Å; A97-E172 WeakPolarHBondContact CB-OE1 3.31Å; A97-E172 WeakPolarHBondContact CB-OE2 3.23Å
98L91.3Very high88.7Confident91 Ų9185.6 Ų85.648%0.47646%0.455SS..  trans-118.4103.9177.3-169.979.2000109.5G100 L101 T165 T169L98-G100 PolarHBondContact O-N 3.02Å; L98-L101 HydrophobicContact CB-CB 4.08Å; L98-L101 HydrophobicContact CB-CD2 4.38Å; L98-L101 HydrophobicContact CD2-CB 4.19Å; L98-L101 HydrophobicContact CD2-CD1 4.18Å; L98-L101 HydrophobicContact CG-CB 4.47Å; L98-L101 WeakPolarHBondContact O-CB 3.46Å; L98-L101 PolarHBondContact O-N 3.26Å; L98-L101 VanDerWaalsContact O-N 3.09Å; L98-T165 HydrophobicContact CB-CG2 3.82Å; L98-T169 PolarHBondContact N-OG1 3.42Å; L98-T169 WeakPolarHBondContact O-CG2 3.3Å; L98-T169 PolarHBondContact O-OG1 3.21Å
99P83.6Confident88.8Confident110 Ų11088.1 Ų88.171%0.71446%0.463SS*.THydrogen-bonded Turntrans-54.8130.8176.2-26.434.9000111.6
100G81.9Confident88.9Confident73 Ų7388.6 Ų88.675%0.75347%0.466SS*.THydrogen-bonded Turntrans83.10.8-178.900000115.7L98 I102L98-G100 PolarHBondContact O-N 3.02Å; G100-I102 VanDerWaalsContact C-N 3.32Å
101L88.7Confident88.8Confident82 Ų8283.6 Ų83.643%0.42945%0.449SS..SBendtrans-62.8-39173.8-179.765000112.5L98 T165 E166 T169L98-L101 HydrophobicContact CB-CB 4.08Å; L98-L101 HydrophobicContact CB-CD2 4.38Å; L98-L101 HydrophobicContact CD2-CB 4.19Å; L98-L101 HydrophobicContact CD2-CD1 4.18Å; L98-L101 HydrophobicContact CG-CB 4.47Å; L98-L101 WeakPolarHBondContact O-CB 3.46Å; L98-L101 PolarHBondContact O-N 3.26Å; L98-L101 VanDerWaalsContact O-N 3.09Å; L101-T165 HydrophobicContact CD2-CG2 3.93Å; L101-E166 HydrophobicContact CD2-CB 4.12Å; L101-E166 HydrophobicContact CD2-CG 4.49Å; L101-T169 HydrophobicContact CB-CG2 4.35Å
102I87.8Confident88.8Confident16 Ų1681.5 Ų81.58%0.08244%0.439CS..SBendtrans-108.3125.8178.7-54.6175.7000108.5G100 F104 E166 T169 V170G100-I102 VanDerWaalsContact C-N 3.32Å; I102-F104 HydrophobicContact CB-CE2 4.09Å; I102-F104 HydrophobicContact CB-CZ 4.12Å; I102-F104 HydrophobicContact CD1-CZ 4.36Å; I102-F104 HydrophobicContact CG2-CD1 4.23Å; I102-F104 HydrophobicContact CG2-CD2 4.41Å; I102-F104 HydrophobicContact CG2-CE1 3.98Å; I102-F104 HydrophobicContact CG2-CE2 4.18Å; I102-F104 HydrophobicContact CG2-CG 4.44Å; I102-F104 HydrophobicContact CG2-CZ 3.96Å; I102-F104 PolarHBondContact O-N 2.85Å; I102-E166 HydrophobicContact CD1-CG 3.74Å; I102-E166 HydrophobicContact CG1-CG 4.15Å; I102-T169 HydrophobicContact CD1-CG2 4.23Å; I102-T169 HydrophobicContact CG1-CG2 4.24Å; I102-V170 HydrophobicContact CD1-CG2 3.42Å; I102-V170 VanDerWaalsContact CD1-CG2 3.42Å
103S87.2Confident88.6Confident96 Ų9688 Ų8867%0.67146%0.464SS*.  trans-88.3103.7169.4-172.20000109.3
104F86.3Confident88.7Confident85 Ų8583.2 Ų83.237%0.37345%0.449SS..  trans-74.1128.8179.1-67-80.3000111I102 S140 N173I102-F104 HydrophobicContact CB-CE2 4.09Å; I102-F104 HydrophobicContact CB-CZ 4.12Å; I102-F104 HydrophobicContact CD1-CZ 4.36Å; I102-F104 HydrophobicContact CG2-CD1 4.23Å; I102-F104 HydrophobicContact CG2-CD2 4.41Å; I102-F104 HydrophobicContact CG2-CE1 3.98Å; I102-F104 HydrophobicContact CG2-CE2 4.18Å; I102-F104 HydrophobicContact CG2-CG 4.44Å; I102-F104 HydrophobicContact CG2-CZ 3.96Å; I102-F104 PolarHBondContact O-N 2.85Å; F104-S140 CarbonylContact C-O 3.51Å; F104-S140 WeakPolarHBondContact CA-O 3.47Å; F104-N173 HydrophobicContact CE2-CB 3.72Å; F104-N173 HydrophobicContact CZ-CB 3.86Å
105T87.7Confident88.9Confident79 Ų7980.8 Ų80.849%0.48544%0.44SS..  trans-131.2158.9-174.954.20000111.5S140 C141T105-S140 PolarHBondContact N-O 3.45Å; T105-C141 WeakPolarHBondContact O-CA 3.23Å; T105-C141 VanDerWaalsContact O-CB 3.26Å; T105-C141 WeakPolarHBondContact O-CB 3.45Å
106H84.8Confident88.8Confident172 Ų17281.1 Ų81.180%0.79644%0.443SS*.PPolyproline II helixtrans-76.8134174.9-72.4-66.1000111.3
107P86.8Confident88.8Confident16 Ų1678.9 Ų78.910%0.10443%0.432CS..PPolyproline II helixtrans-70150.4175.229.5-31.8000110.2V111 Q112 C141P107-V111 HydrophobicContact CB-CB 4.18Å; P107-V111 HydrophobicContact CB-CG1 3.88Å; P107-Q112 HydrophobicContact CB-CB 4.28Å; P107-Q112 HydrophobicContact CG-CB 3.99Å; P107-Q112 HydrophobicContact CG-CG 4.31Å; P107-C141 HydrophobicContact CB-CB 4.17Å; P107-C141 VanDerWaalsContact CD-O 3.26Å; P107-C141 WeakPolarHBondContact CD-O 2.84Å; P107-C141 WeakPolarHBondContact CG-O 3.41Å
108C88.8Confident89Confident77 Ų7778.7 Ų78.752%0.5243%0.43SS..PPolyproline II helixtrans-73.9159.5168.267.10000111E110 V111 Q112C108-E110 PolarHBondContact O-N 3.47Å; C108-V111 PolarHBondContact O-N 3.46Å; C108-V111 VanDerWaalsContact SG-CG2 3.55Å; C108-Q112 PolarHBondContact O-N 3.37Å
109D87.3Confident89Confident124 Ų12475 Ų7566%0.66341%0.412SS*.Hα-helixtrans-53.9-33.1-173.6-61.9-13.9000114.7R113D109-R113 WeakPolarHBondContact O-CB 3.5Å; D109-R113 VanDerWaalsContact O-CG 3.24Å; D109-R113 WeakPolarHBondContact O-CG 3.37Å; D109-R113 PolarHBondContact O-N 3.25Å; D109-R113 VanDerWaalsContact O-N 3.09Å; D109-R113 PolarHBondContact O-NE 3.49Å
110E90.3Very high89.5Confident144 Ų14473.2 Ų73.267%0.67339%0.393SS*.Hα-helixtrans-71.6-44.1176.6-172.1-179.8175.900112C108 K114C108-E110 PolarHBondContact O-N 3.47Å; E110-K114 PolarHBondContact O-N 3.06Å; E110-K114 VanDerWaalsContact O-N 3.11Å
111V91.1Very high90Very high25 Ų2572.3 Ų72.315%0.15237%0.368CS..Hα-helixtrans-65.8-44.3176.91720000109.8P107 C108 R113 K114 L115 F134 K138P107-V111 HydrophobicContact CB-CB 4.18Å; P107-V111 HydrophobicContact CB-CG1 3.88Å; C108-V111 PolarHBondContact O-N 3.46Å; C108-V111 VanDerWaalsContact SG-CG2 3.55Å; V111-R113 PolarHBondContact O-N 2.71Å; V111-K114 PolarHBondContact O-N 3.25Å; V111-L115 HydrophobicContact CG1-CD1 3.91Å; V111-L115 HydrophobicContact CG1-CG 4.23Å; V111-L115 WeakPolarHBondContact O-CG 3.4Å; V111-L115 PolarHBondContact O-N 3.26Å; V111-F134 HydrophobicContact CG1-CZ 4.33Å; V111-K138 HydrophobicContact CG1-CD 4.31Å; V111-K138 HydrophobicContact CG1-CG 4.19Å
112Q91Very high90.2Very high76 Ų7669.1 Ų69.136%0.35535%0.351SS..Hα-helixtrans-60.9-46.8179-171.9161.8-4.900111.8P107 C108 K114 L115 S116P107-Q112 HydrophobicContact CB-CB 4.28Å; P107-Q112 HydrophobicContact CG-CB 3.99Å; P107-Q112 HydrophobicContact CG-CG 4.31Å; C108-Q112 PolarHBondContact O-N 3.37Å; Q112-K114 VanDerWaalsContact C-N 3.32Å; Q112-K114 PolarHBondContact O-N 3.4Å; Q112-L115 PolarHBondContact O-N 3.05Å; Q112-S116 PolarHBondContact O-N 2.89Å; Q112-S116 PolarHBondContact O-OG 2.92Å; Q112-S116 VanDerWaalsContact O-OG 3.12Å
113R89.7Confident90.4Very high151 Ų15168.3 Ų68.357%0.5735%0.347SS*.Hα-helixtrans-56.9-45.8174.9-79.8-179.1-69.7156.4-3.9112D109 V111 S116 D117D109-R113 WeakPolarHBondContact O-CB 3.5Å; D109-R113 VanDerWaalsContact O-CG 3.24Å; D109-R113 WeakPolarHBondContact O-CG 3.37Å; D109-R113 PolarHBondContact O-N 3.25Å; D109-R113 VanDerWaalsContact O-N 3.09Å; D109-R113 PolarHBondContact O-NE 3.49Å; V111-R113 PolarHBondContact O-N 2.71Å; R113-S116 PolarHBondContact O-N 3.45Å; R113-D117 PolarHBondContact O-N 2.79Å
114K92.9Very high90.6Very high107 Ų10764.4 Ų64.447%0.46532%0.318SS..Hα-helixtrans-66.2-39.4179.7-170.6170.3175.3-175.30112.6E110 V111 Q112 D117 I118 F134E110-K114 PolarHBondContact O-N 3.06Å; E110-K114 VanDerWaalsContact O-N 3.11Å; V111-K114 PolarHBondContact O-N 3.25Å; Q112-K114 VanDerWaalsContact C-N 3.32Å; Q112-K114 PolarHBondContact O-N 3.4Å; K114-D117 PolarHBondContact O-N 3.21Å; K114-I118 HydrophobicContact CG-CD1 4.14Å; K114-I118 VanDerWaalsContact O-CG1 3.27Å; K114-I118 WeakPolarHBondContact O-CG1 3.27Å; K114-I118 PolarHBondContact O-N 3.16Å; K114-I118 VanDerWaalsContact O-N 3.08Å; K114-F134 HydrophobicContact CB-CE1 4.16Å; K114-F134 HydrophobicContact CB-CZ 4.08Å; K114-F134 HydrophobicContact CD-CD1 4.42Å; K114-F134 HydrophobicContact CD-CD2 4.45Å; K114-F134 HydrophobicContact CD-CE1 3.88Å; K114-F134 HydrophobicContact CD-CE2 3.9Å; K114-F134 HydrophobicContact CD-CZ 3.59Å; K114-F134 HydrophobicContact CG-CD1 4.43Å; K114-F134 HydrophobicContact CG-CE1 3.75Å; K114-F134 HydrophobicContact CG-CZ 3.88Å
115L93.9Very high90.8Very high0 Ų065.1 Ų65.10%032%0.319CS..Hα-helixtrans-60.5-47.8173.4-72.6172.2000110.9V111 Q112 D117 I118 S119 F134 L135 K138 S146V111-L115 HydrophobicContact CG1-CD1 3.91Å; V111-L115 HydrophobicContact CG1-CG 4.23Å; V111-L115 WeakPolarHBondContact O-CG 3.4Å; V111-L115 PolarHBondContact O-N 3.26Å; Q112-L115 PolarHBondContact O-N 3.05Å; L115-D117 PolarHBondContact O-N 3.36Å; L115-I118 PolarHBondContact O-N 2.79Å; L115-S119 WeakPolarHBondContact O-CB 3.38Å; L115-S119 PolarHBondContact O-N 3.21Å; L115-F134 HydrophobicContact CD2-CD1 4.45Å; L115-F134 HydrophobicContact CD2-CE1 3.86Å; L115-F134 HydrophobicContact CG-CE1 4.21Å; L115-L135 HydrophobicContact CD2-CD2 3.69Å; L115-K138 HydrophobicContact CD2-CB 4.44Å; L115-S146 CarbonylContact C-O 3.57Å
116S91.3Very high91.1Very high36 Ų3662.7 Ų62.725%0.25230%0.302SS..Hα-helixtrans-63-40.2178.8-600000112.7Q112 R113 S119 K120 S146Q112-S116 PolarHBondContact O-N 2.89Å; Q112-S116 PolarHBondContact O-OG 2.92Å; Q112-S116 VanDerWaalsContact O-OG 3.12Å; R113-S116 PolarHBondContact O-N 3.45Å; S116-S119 WeakPolarHBondContact O-CB 3.38Å; S116-S119 PolarHBondContact O-N 3.45Å; S116-K120 WeakPolarHBondContact O-CG 3.32Å; S116-K120 PolarHBondContact O-N 3.3Å; S116-S146 PolarHBondContact N-O 3.18Å
117D91.6Very high91.5Very high88 Ų8855.3 Ų55.347%0.47127%0.268SS..Hα-helixtrans-67.8-37.5178.2-74.3-20.5000112.6R113 K114 L115 S119 K120R113-D117 PolarHBondContact O-N 2.79Å; K114-D117 PolarHBondContact O-N 3.21Å; L115-D117 PolarHBondContact O-N 3.36Å; D117-S119 VanDerWaalsContact C-N 3.35Å; D117-K120 IonicContact OD1-NZ 2.72Å; D117-K120 PolarHBondContact OD1-NZ 3.31Å; D117-K120 VanDerWaalsContact OD1-NZ 3.14Å
118I94.4Very high92Very high5 Ų558 Ų583%0.02628%0.284CS..Hα-helixtrans-66.6-40.5172-66.1167.9000110.2K114 L115 K120 K121 L127 E131 F134 L135K114-I118 HydrophobicContact CG-CD1 4.14Å; K114-I118 VanDerWaalsContact O-CG1 3.27Å; K114-I118 WeakPolarHBondContact O-CG1 3.27Å; K114-I118 PolarHBondContact O-N 3.16Å; K114-I118 VanDerWaalsContact O-N 3.08Å; L115-I118 PolarHBondContact O-N 2.79Å; I118-K120 VanDerWaalsContact C-N 3.3Å; I118-K120 PolarHBondContact O-N 3.18Å; I118-K121 WeakPolarHBondContact O-CB 3.33Å; I118-K121 PolarHBondContact O-N 3.01Å; I118-K121 VanDerWaalsContact O-N 3.09Å; I118-L127 HydrophobicContact CG2-CD1 4.45Å; I118-L127 HydrophobicContact CG2-CD2 3.7Å; I118-E131 HydrophobicContact CD1-CB 4.1Å; I118-E131 HydrophobicContact CD1-CG 3.95Å; I118-E131 HydrophobicContact CG1-CB 4.4Å; I118-E131 HydrophobicContact CG1-CG 4.04Å; I118-E131 HydrophobicContact CG2-CB 4.32Å; I118-F134 HydrophobicContact CD1-CD1 3.57Å; I118-F134 HydrophobicContact CD1-CE1 4.02Å; I118-L135 HydrophobicContact CG2-CD1 3.86Å; I118-L135 HydrophobicContact CG2-CD2 4.11Å; I118-L135 HydrophobicContact CG2-CG 4.15Å
119S92.8Very high92.2Very high13 Ų1363 Ų639%0.09130%0.298CS..Hα-helixtrans-60.6-34.3-178.1-170.30000113.5L115 S116 D117 K121 H122 F148L115-S119 WeakPolarHBondContact O-CB 3.38Å; L115-S119 PolarHBondContact O-N 3.21Å; S116-S119 WeakPolarHBondContact O-CB 3.38Å; S116-S119 PolarHBondContact O-N 3.45Å; D117-S119 VanDerWaalsContact C-N 3.35Å; S119-K121 PolarHBondContact O-N 3.37Å; S119-H122 PolarHBondContact O-N 3.09Å; S119-H122 PolarHBondContact O-ND1 3.32Å; S119-F148 WeakPolarHBondContact OG-CD2 3.17Å; S119-F148 VanDerWaalsContact OG-CE2 3.31Å; S119-F148 WeakPolarHBondContact OG-CE2 3.49Å
120K92.9Very high92.7Very high72 Ų7263.6 Ų63.631%0.31330%0.3SS..THydrogen-bonded Turntrans-63.7-10.1175.8-68.7169.5-170.9162.40114.4S116 D117 I118 H122 P601 N602S116-K120 WeakPolarHBondContact O-CG 3.32Å; S116-K120 PolarHBondContact O-N 3.3Å; D117-K120 IonicContact OD1-NZ 2.72Å; D117-K120 PolarHBondContact OD1-NZ 3.31Å; D117-K120 VanDerWaalsContact OD1-NZ 3.14Å; I118-K120 VanDerWaalsContact C-N 3.3Å; I118-K120 PolarHBondContact O-N 3.18Å; K120-H122 VanDerWaalsContact C-N 3.34Å; K120-H122 PolarHBondContact O-CD2 2.97Å; K120-H122 VanDerWaalsContact O-CD2 3.26Å; K120-H122 PolarHBondContact O-NE2 3.23Å; K120-P601 WeakPolarHBondContact O-CG 3.49Å; K120-N602 VanDerWaalsContact CB-OD1 3.27Å; K120-N602 WeakPolarHBondContact CB-OD1 3.46Å; K120-N602 WeakPolarHBondContact CD-OD1 3.12Å
121K92.9Very high93Very high55 Ų5558.5 Ų58.524%0.23928%0.277CS..THydrogen-bonded Turntrans-76.3-24.6170.4-62.3-177.7175-169.20112.1I118 S119 C123 F126 L127 E131I118-K121 WeakPolarHBondContact O-CB 3.33Å; I118-K121 PolarHBondContact O-N 3.01Å; I118-K121 VanDerWaalsContact O-N 3.09Å; S119-K121 PolarHBondContact O-N 3.37Å; K121-C123 PolarHBondContact O-N 2.85Å; K121-F126 HydrophobicContact CB-CB 4.26Å; K121-F126 PolarHBondContact NZ-O 3.29Å; K121-F126 WeakPolarHBondContact O-CD2 3.45Å; K121-L127 HydrophobicContact CB-CD2 3.97Å; K121-L127 HydrophobicContact CD-CD2 3.6Å; K121-L127 HydrophobicContact CG-CD2 4.38Å; K121-E131 WeakPolarHBondContact CE-OE1 3.36Å; K121-E131 IonicContact NZ-OE1 2.73Å; K121-E131 PolarHBondContact NZ-OE1 3.4Å; K121-E131 IonicContact NZ-OE2 3.1Å; K121-E131 PolarHBondContact NZ-OE2 3.03Å
122H93.6Very high93.2Very high14 Ų1460.3 Ų60.37%0.06528%0.282CS..  trans60-34.6176.9-54.2-57000117.7S119 K120 F148 H150 L151 S568 A569 L572S119-H122 PolarHBondContact O-N 3.09Å; S119-H122 PolarHBondContact O-ND1 3.32Å; K120-H122 VanDerWaalsContact C-N 3.34Å; K120-H122 PolarHBondContact O-CD2 2.97Å; K120-H122 VanDerWaalsContact O-CD2 3.26Å; K120-H122 PolarHBondContact O-NE2 3.23Å; H122-F148 AromaticContact ND1-CE2 3.54Å; H122-H150 PolarHBondContact O-NE2 2.99Å; H122-L151 WeakPolarHBondContact O-CD2 3.48Å; H122-S568 WeakPolarHBondContact NE2-CB 3.45Å; H122-A569 HydrophobicContact CB-CB 4.29Å; H122-L572 HydrophobicContact CB-CD1 3.88Å
123C91.7Very high93.4Very high0 Ų059.6 Ų59.60%029%0.286CS..SBendtrans-114.1139.8-172.9179.70000111.8K121 Y125 F126 E576K121-C123 PolarHBondContact O-N 2.85Å; C123-Y125 PolarHBondContact O-N 3.4Å; C123-Y125 WeakPolarHBondContact SG-CD2 3.44Å; C123-F126 HydrophobicContact CB-CD2 3.69Å; C123-F126 HydrophobicContact CB-CE2 3.68Å; C123-F126 HydrophobicContact CB-CG 4.37Å; C123-F126 HydrophobicContact CB-CZ 4.38Å; C123-F126 PolarHBondContact O-N 2.91Å; C123-F126 VanDerWaalsContact O-N 3.14Å; C123-E576 PolarHBondContact SG-OE2 3.38Å
124L92.1Very high93.7Very high13 Ų1353.9 Ų53.97%0.06827%0.265CS..G310 helixtrans-62.3-27.6-178.3-70.7-173.8000114.2F126 L127 K132 L151 F190L124-F126 PolarHBondContact O-N 3.24Å; L124-L127 HydrophobicContact CD2-CD1 4.17Å; L124-L127 PolarHBondContact O-N 3.42Å; L124-K132 VanDerWaalsContact O-CE 3.3Å; L124-K132 WeakPolarHBondContact O-CE 3.24Å; L124-K132 PolarHBondContact O-NZ 2.65Å; L124-L151 HydrophobicContact CD2-CD2 3.9Å; L124-F190 HydrophobicContact CD1-CE1 4.42Å; L124-F190 HydrophobicContact CD1-CE2 3.97Å; L124-F190 HydrophobicContact CD1-CZ 3.58Å; L124-F190 HydrophobicContact CG-CZ 4.49Å
125Y89.3Confident93.9Very high101 Ų10148.8 Ų48.840%0.39624%0.243SC..G310 helixtrans-70.2-18.4179.8-59.5-64.7000112.4C123 E576 F589C123-Y125 PolarHBondContact O-N 3.4Å; C123-Y125 WeakPolarHBondContact SG-CD2 3.44Å; Y125-E576 HydrophobicContact CE2-CG 4.25Å; Y125-F589 HydrophobicContact CD2-CB 4.41Å; Y125-F589 HydrophobicContact CG-CB 4.31Å
126F93.4Very high94Very high28 Ų2849.6 Ų49.612%0.12325%0.246CC..G310 helixtrans-95-5179.1-51.8-30.1000113.4K121 C123 L124 L592 Q593 L596K121-F126 HydrophobicContact CB-CB 4.26Å; K121-F126 PolarHBondContact NZ-O 3.29Å; K121-F126 WeakPolarHBondContact O-CD2 3.45Å; C123-F126 HydrophobicContact CB-CD2 3.69Å; C123-F126 HydrophobicContact CB-CE2 3.68Å; C123-F126 HydrophobicContact CB-CG 4.37Å; C123-F126 HydrophobicContact CB-CZ 4.38Å; C123-F126 PolarHBondContact O-N 2.91Å; C123-F126 VanDerWaalsContact O-N 3.14Å; L124-F126 PolarHBondContact O-N 3.24Å; F126-L592 HydrophobicContact CZ-CB 3.83Å; F126-Q593 VanDerWaalsContact CD1-OE1 3.25Å; F126-Q593 HydrophobicContact CE1-CB 3.95Å; F126-Q593 VanDerWaalsContact CE1-OE1 3.3Å; F126-Q593 HydrophobicContact CZ-CB 4.02Å; F126-L596 HydrophobicContact CD2-CD2 3.48Å; F126-L596 VanDerWaalsContact CD2-CD2 3.48Å; F126-L596 HydrophobicContact CE2-CB 4.43Å; F126-L596 HydrophobicContact CE2-CD2 3.44Å; F126-L596 VanDerWaalsContact CE2-CD2 3.44Å; F126-L596 HydrophobicContact CG-CD2 4.48Å; F126-L596 HydrophobicContact CZ-CD2 4.42Å
127L94.5Very high94.1Very high16 Ų1652.4 Ų52.48%0.08426%0.258CS..  trans-86.5133.7179-60.1-166.1000111.8I118 K121 L124 K132 L135 L151I118-L127 HydrophobicContact CG2-CD1 4.45Å; I118-L127 HydrophobicContact CG2-CD2 3.7Å; K121-L127 HydrophobicContact CB-CD2 3.97Å; K121-L127 HydrophobicContact CD-CD2 3.6Å; K121-L127 HydrophobicContact CG-CD2 4.38Å; L124-L127 HydrophobicContact CD2-CD1 4.17Å; L124-L127 PolarHBondContact O-N 3.42Å; L127-K132 HydrophobicContact CB-CD 4.45Å; L127-K132 HydrophobicContact CB-CG 3.85Å; L127-K132 HydrophobicContact CD1-CG 4.11Å; L127-L135 HydrophobicContact CD1-CD1 3.66Å; L127-L151 HydrophobicContact CD1-CD2 4.06Å
128T95.8Very high94.3Very high73 Ų7351.8 Ų51.845%0.44825%0.251SS..  trans-73160168.865.90000111N130 E131 K132T128-N130 PolarHBondContact O-N 2.96Å; T128-E131 WeakPolarHBondContact CB-OE2 3.39Å; T128-E131 WeakPolarHBondContact CG2-OE2 3.47Å; T128-E131 PolarHBondContact N-OE2 3.36Å; T128-E131 PolarHBondContact O-N 3.11Å; T128-E131 VanDerWaalsContact O-N 3.16Å; T128-E131 VanDerWaalsContact OG1-CD 3.25Å; T128-E131 WeakPolarHBondContact OG1-CG 3.37Å; T128-E131 PolarHBondContact OG1-N 3.47Å; T128-E131 PolarHBondContact OG1-OE2 2.89Å; T128-K132 WeakPolarHBondContact O-CG 3.3Å; T128-K132 PolarHBondContact O-N 3.07Å
129K94.5Very high94.2Very high183 Ų18354 Ų5480%0.79626%0.259SS*.Hα-helixtrans-56.7-38.2175.6-67.9-175177.9-177.30112.6K132 S133K129-K132 PolarHBondContact O-N 3.12Å; K129-S133 PolarHBondContact O-N 2.82Å
130N96.4Very high94.2Very high135 Ų13555.3 Ų55.372%0.72227%0.269SS*.Hα-helixtrans-68.9-37.8179.6-65.9-6000111.8T128 F134T128-N130 PolarHBondContact O-N 2.96Å; N130-F134 VanDerWaalsContact O-CB 3.23Å; N130-F134 WeakPolarHBondContact O-CB 3.1Å; N130-F134 PolarHBondContact O-N 2.82Å
131E96.6Very high94Very high37 Ų3752.7 Ų52.717%0.17326%0.259CS..Hα-helixtrans-67.6-41.6175.3-71.2164.7147.600111.4I118 K121 T128 F134 L135I118-E131 HydrophobicContact CD1-CB 4.1Å; I118-E131 HydrophobicContact CD1-CG 3.95Å; I118-E131 HydrophobicContact CG1-CB 4.4Å; I118-E131 HydrophobicContact CG1-CG 4.04Å; I118-E131 HydrophobicContact CG2-CB 4.32Å; K121-E131 WeakPolarHBondContact CE-OE1 3.36Å; K121-E131 IonicContact NZ-OE1 2.73Å; K121-E131 PolarHBondContact NZ-OE1 3.4Å; K121-E131 IonicContact NZ-OE2 3.1Å; K121-E131 PolarHBondContact NZ-OE2 3.03Å; T128-E131 WeakPolarHBondContact CB-OE2 3.39Å; T128-E131 WeakPolarHBondContact CG2-OE2 3.47Å; T128-E131 PolarHBondContact N-OE2 3.36Å; T128-E131 PolarHBondContact O-N 3.11Å; T128-E131 VanDerWaalsContact O-N 3.16Å; T128-E131 VanDerWaalsContact OG1-CD 3.25Å; T128-E131 WeakPolarHBondContact OG1-CG 3.37Å; T128-E131 PolarHBondContact OG1-N 3.47Å; T128-E131 PolarHBondContact OG1-OE2 2.89Å; E131-F134 PolarHBondContact O-N 2.98Å; E131-L135 WeakPolarHBondContact O-CG 3.14Å; E131-L135 PolarHBondContact O-N 2.67Å
132K95.9Very high93.8Very high63 Ų6350.3 Ų50.327%0.27425%0.249SC..Hα-helixtrans-57.9-50.3173.8-73.3-174.5-178.1-165.90111.9L124 L127 T128 K129 F134 L135 W136 G155L124-K132 VanDerWaalsContact O-CE 3.3Å; L124-K132 WeakPolarHBondContact O-CE 3.24Å; L124-K132 PolarHBondContact O-NZ 2.65Å; L127-K132 HydrophobicContact CB-CD 4.45Å; L127-K132 HydrophobicContact CB-CG 3.85Å; L127-K132 HydrophobicContact CD1-CG 4.11Å; T128-K132 WeakPolarHBondContact O-CG 3.3Å; T128-K132 PolarHBondContact O-N 3.07Å; K129-K132 PolarHBondContact O-N 3.12Å; K132-F134 VanDerWaalsContact C-N 3.34Å; K132-F134 PolarHBondContact O-N 3.45Å; K132-L135 PolarHBondContact O-N 2.87Å; K132-W136 PolarHBondContact O-N 2.81Å; K132-G155 WeakPolarHBondContact O-CA 3.19Å
133S96.1Very high93.4Very high61 Ų6152.6 Ų52.643%0.42726%0.262SS..Hα-helixtrans-58.9-46.6175.3-168.60000111.3K129 L135 W136 D137K129-S133 PolarHBondContact O-N 2.82Å; S133-L135 VanDerWaalsContact C-N 3.34Å; S133-L135 PolarHBondContact O-N 3.3Å; S133-W136 PolarHBondContact O-N 3.15Å; S133-D137 WeakPolarHBondContact O-CB 3.45Å; S133-D137 PolarHBondContact O-N 2.96Å; S133-D137 PolarHBondContact OG-OD2 3Å
134F96.3Very high92.9Very high31 Ų3159 Ų5914%0.13629%0.29CS..Hα-helixtrans-59.4-42.1-179.7174.3-95.8000112.7V111 K114 L115 I118 N130 E131 K132 D137 K138V111-F134 HydrophobicContact CG1-CZ 4.33Å; K114-F134 HydrophobicContact CB-CE1 4.16Å; K114-F134 HydrophobicContact CB-CZ 4.08Å; K114-F134 HydrophobicContact CD-CD1 4.42Å; K114-F134 HydrophobicContact CD-CD2 4.45Å; K114-F134 HydrophobicContact CD-CE1 3.88Å; K114-F134 HydrophobicContact CD-CE2 3.9Å; K114-F134 HydrophobicContact CD-CZ 3.59Å; K114-F134 HydrophobicContact CG-CD1 4.43Å; K114-F134 HydrophobicContact CG-CE1 3.75Å; K114-F134 HydrophobicContact CG-CZ 3.88Å; L115-F134 HydrophobicContact CD2-CD1 4.45Å; L115-F134 HydrophobicContact CD2-CE1 3.86Å; L115-F134 HydrophobicContact CG-CE1 4.21Å; I118-F134 HydrophobicContact CD1-CD1 3.57Å; I118-F134 HydrophobicContact CD1-CE1 4.02Å; N130-F134 VanDerWaalsContact O-CB 3.23Å; N130-F134 WeakPolarHBondContact O-CB 3.1Å; N130-F134 PolarHBondContact O-N 2.82Å; E131-F134 PolarHBondContact O-N 2.98Å; K132-F134 VanDerWaalsContact C-N 3.34Å; K132-F134 PolarHBondContact O-N 3.45Å; F134-D137 PolarHBondContact O-N 2.92Å; F134-K138 HydrophobicContact CD2-CG 4.32Å; F134-K138 HydrophobicContact CE1-CG 4.43Å; F134-K138 HydrophobicContact CE2-CG 3.94Å; F134-K138 HydrophobicContact CZ-CG 3.99Å; F134-K138 WeakPolarHBondContact O-CB 3.39Å; F134-K138 WeakPolarHBondContact O-CG 3.45Å; F134-K138 PolarHBondContact O-N 2.83Å; F134-K138 VanDerWaalsContact O-N 3.17Å
135L95.8Very high92.3Very high0 Ų061 Ų610%031%0.314CS..Hα-helixtrans-58.8-51.7176.3-72.6168.6000110.5L115 I118 L127 E131 K132 S133 D137 K138 R139 L151 L152L115-L135 HydrophobicContact CD2-CD2 3.69Å; I118-L135 HydrophobicContact CG2-CD1 3.86Å; I118-L135 HydrophobicContact CG2-CD2 4.11Å; I118-L135 HydrophobicContact CG2-CG 4.15Å; L127-L135 HydrophobicContact CD1-CD1 3.66Å; E131-L135 WeakPolarHBondContact O-CG 3.14Å; E131-L135 PolarHBondContact O-N 2.67Å; K132-L135 PolarHBondContact O-N 2.87Å; S133-L135 VanDerWaalsContact C-N 3.34Å; S133-L135 PolarHBondContact O-N 3.3Å; L135-D137 PolarHBondContact O-N 3.29Å; L135-K138 CarbonylContact O-C 3.45Å; L135-K138 PolarHBondContact O-N 3.33Å; L135-K138 VanDerWaalsContact O-N 3.1Å; L135-R139 PolarHBondContact O-N 3.24Å; L135-R139 VanDerWaalsContact O-N 3.15Å; L135-L151 HydrophobicContact CD1-CB 4.08Å; L135-L151 WeakPolarHBondContact CD1-O 3.3Å; L135-L152 HydrophobicContact CB-CD1 4.24Å; L135-L152 WeakPolarHBondContact O-CD1 3.37Å
136W95.4Very high92.1Very high18 Ų1856.4 Ų56.47%0.06830%0.296CS..Hα-helixtrans-65.9-38.9-178.7-169.6-109.9000112.9K132 S133 K138 R139 L152 L153 G155 V156 I167 V170K132-W136 PolarHBondContact O-N 2.81Å; S133-W136 PolarHBondContact O-N 3.15Å; W136-K138 PolarHBondContact O-N 3.34Å; W136-K138 VanDerWaalsContact O-N 3.16Å; W136-R139 HydrophobicContact CE3-CB 4.29Å; W136-R139 HydrophobicContact CZ3-CB 4.44Å; W136-R139 WeakPolarHBondContact O-CB 3.49Å; W136-R139 WeakPolarHBondContact O-CD 3.34Å; W136-R139 VanDerWaalsContact O-CG 3.22Å; W136-R139 WeakPolarHBondContact O-CG 3.29Å; W136-R139 PolarHBondContact O-N 3.42Å; W136-R139 VanDerWaalsContact O-N 3.14Å; W136-R139 PolarHBondContact O-NH1 2.91Å; W136-L152 HydrophobicContact CE3-CG 4.37Å; W136-L153 HydrophobicContact CZ3-CD2 4.42Å; W136-G155 WeakPolarHBondContact CB-O 3.39Å; W136-V156 HydrophobicContact CD2-CB 4.41Å; W136-V156 HydrophobicContact CD2-CG2 3.77Å; W136-V156 HydrophobicContact CE3-CB 4.44Å; W136-V156 HydrophobicContact CE3-CG2 3.41Å; W136-V156 VanDerWaalsContact CE3-CG2 3.41Å; W136-V156 HydrophobicContact CH2-CG2 3.6Å; W136-V156 HydrophobicContact CZ2-CG2 3.91Å; W136-V156 HydrophobicContact CZ3-CG2 3.33Å; W136-I167 HydrophobicContact CH2-CB 4.45Å; W136-I167 HydrophobicContact CH2-CG1 3.71Å; W136-I167 HydrophobicContact CZ2-CG1 3.95Å; W136-V170 HydrophobicContact CH2-CG2 4.28Å; W136-V170 HydrophobicContact CZ3-CG2 4.48Å
137D94.6Very high91.9Very high95 Ų9555.2 Ų55.251%0.50829%0.292SS..Hα-helixtrans-61.1-23.8175-68.2-26.2000112.4S133 F134 L135S133-D137 WeakPolarHBondContact O-CB 3.45Å; S133-D137 PolarHBondContact O-N 2.96Å; S133-D137 PolarHBondContact OG-OD2 3Å; F134-D137 PolarHBondContact O-N 2.92Å; L135-D137 PolarHBondContact O-N 3.29Å
138K94.6Very high91.9Very high75 Ų7555.9 Ų55.933%0.32629%0.294SS..THydrogen-bonded Turntrans-107.814.8179.4-59.6-56.2177.3-168.70113.8V111 L115 F134 L135 W136 S140 C141 S142V111-K138 HydrophobicContact CG1-CD 4.31Å; V111-K138 HydrophobicContact CG1-CG 4.19Å; L115-K138 HydrophobicContact CD2-CB 4.44Å; F134-K138 HydrophobicContact CD2-CG 4.32Å; F134-K138 HydrophobicContact CE1-CG 4.43Å; F134-K138 HydrophobicContact CE2-CG 3.94Å; F134-K138 HydrophobicContact CZ-CG 3.99Å; F134-K138 WeakPolarHBondContact O-CB 3.39Å; F134-K138 WeakPolarHBondContact O-CG 3.45Å; F134-K138 PolarHBondContact O-N 2.83Å; F134-K138 VanDerWaalsContact O-N 3.17Å; L135-K138 CarbonylContact O-C 3.45Å; L135-K138 PolarHBondContact O-N 3.33Å; L135-K138 VanDerWaalsContact O-N 3.1Å; W136-K138 PolarHBondContact O-N 3.34Å; W136-K138 VanDerWaalsContact O-N 3.16Å; K138-S140 VanDerWaalsContact C-N 3.26Å; K138-S140 PolarHBondContact O-N 3.19Å; K138-C141 CarbonylContact O-C 3.6Å; K138-C141 PolarHBondContact O-N 2.84Å; K138-C141 PolarHBondContact O-SG 3.24Å; K138-S142 PolarHBondContact O-N 3.44Å; K138-S142 VanDerWaalsContact O-N 3.12Å; K138-S142 PolarHBondContact O-OG 3.26Å
139R93.7Very high91.8Very high50 Ų5052.4 Ų52.419%0.18927%0.273CS..G310 helixtrans-53.8-38.3179.368.8-166.9173.3-82.84.9114.2L135 W136 C141 S142 L152 E166L135-R139 PolarHBondContact O-N 3.24Å; L135-R139 VanDerWaalsContact O-N 3.15Å; W136-R139 HydrophobicContact CE3-CB 4.29Å; W136-R139 HydrophobicContact CZ3-CB 4.44Å; W136-R139 WeakPolarHBondContact O-CB 3.49Å; W136-R139 WeakPolarHBondContact O-CD 3.34Å; W136-R139 VanDerWaalsContact O-CG 3.22Å; W136-R139 WeakPolarHBondContact O-CG 3.29Å; W136-R139 PolarHBondContact O-N 3.42Å; W136-R139 VanDerWaalsContact O-N 3.14Å; W136-R139 PolarHBondContact O-NH1 2.91Å; R139-C141 PolarHBondContact O-N 3.04Å; R139-S142 PolarHBondContact O-N 3.09Å; R139-L152 HydrophobicContact CB-CD1 3.87Å; R139-L152 HydrophobicContact CB-CD2 4.12Å; R139-L152 HydrophobicContact CB-CG 4.3Å; R139-E166 IonicContact CZ-OE1 3.13Å; R139-E166 IonicContact CZ-OE2 3.71Å; R139-E166 VanDerWaalsContact NE-CD 3.27Å; R139-E166 IonicContact NE-OE1 2.75Å; R139-E166 PolarHBondContact NE-OE1 3.07Å; R139-E166 IonicContact NE-OE2 3.58Å; R139-E166 VanDerWaalsContact NH2-CD 3.31Å; R139-E166 IonicContact NH2-OE1 2.68Å; R139-E166 PolarHBondContact NH2-OE1 2.97Å; R139-E166 IonicContact NH2-OE2 3.2Å; R139-E166 PolarHBondContact NH2-OE2 2.75Å
140S91.4Very high91.9Very high42 Ų4243.8 Ų43.829%0.29424%0.235SC..G310 helixtrans-71.2-14.4-179.758.80000113.7F104 T105 K138F104-S140 CarbonylContact C-O 3.51Å; F104-S140 WeakPolarHBondContact CA-O 3.47Å; T105-S140 PolarHBondContact N-O 3.45Å; K138-S140 VanDerWaalsContact C-N 3.26Å; K138-S140 PolarHBondContact O-N 3.19Å
141C89.8Confident91.9Very high16 Ų1637.3 Ų37.311%0.10820%0.201CC..G310 helixtrans-12118.4173.164.70000113.6T105 P107 K138 R139T105-C141 WeakPolarHBondContact O-CA 3.23Å; T105-C141 VanDerWaalsContact O-CB 3.26Å; T105-C141 WeakPolarHBondContact O-CB 3.45Å; P107-C141 HydrophobicContact CB-CB 4.17Å; P107-C141 VanDerWaalsContact CD-O 3.26Å; P107-C141 WeakPolarHBondContact CD-O 2.84Å; P107-C141 WeakPolarHBondContact CG-O 3.41Å; K138-C141 CarbonylContact O-C 3.6Å; K138-C141 PolarHBondContact O-N 2.84Å; K138-C141 PolarHBondContact O-SG 3.24Å; R139-C141 PolarHBondContact O-N 3.04Å
142S88.7Confident91.8Very high5 Ų535.6 Ų35.64%0.03519%0.193CC..  trans-99.9144.7174.5-61.40000109.9K138 R139K138-S142 PolarHBondContact O-N 3.44Å; K138-S142 VanDerWaalsContact O-N 3.12Å; K138-S142 PolarHBondContact O-OG 3.26Å; R139-S142 PolarHBondContact O-N 3.09Å
143D85.1Confident91.9Very high62 Ų6232.6 Ų32.633%0.33218%0.18SC..  trans-148.9178.9178.269.9-1.1000110.5G145 S146 T147 W174D143-G145 PolarHBondContact O-N 3.27Å; D143-G145 VanDerWaalsContact O-N 3.15Å; D143-G145 WeakPolarHBondContact OD1-CA 3.35Å; D143-G145 PolarHBondContact OD1-N 3.43Å; D143-S146 PolarHBondContact N-OG 3.47Å; D143-S146 PolarHBondContact O-N 2.76Å; D143-S146 VanDerWaalsContact O-N 3.08Å; D143-S146 PolarHBondContact O-OG 3.27Å; D143-S146 WeakPolarHBondContact OD1-CB 3.32Å; D143-S146 PolarHBondContact OD1-N 2.88Å; D143-S146 PolarHBondContact OD1-OG 2.86Å; D143-T147 PolarHBondContact O-N 3.31Å; D143-W174 VanDerWaalsContact CA-CH2 3.44Å; D143-W174 WeakPolarHBondContact O-CH2 3.37Å
144K80.4Confident91.8Very high135 Ų13530.7 Ų30.759%0.58717%0.169SC*.THydrogen-bonded Turntrans-61.5-20.1178.267.1179.5-177.8179.50114.5W174K144-W174 HydrophobicContact CB-CZ2 4.4Å
145G80.8Confident91.7Very high56 Ų5629.5 Ų29.558%0.57717%0.166SC*.THydrogen-bonded Turntrans-81.4-18.3177.700000113.1D143D143-G145 PolarHBondContact O-N 3.27Å; D143-G145 VanDerWaalsContact O-N 3.15Å; D143-G145 WeakPolarHBondContact OD1-CA 3.35Å; D143-G145 PolarHBondContact OD1-N 3.43Å
146S83.6Confident91.6Very high3 Ų330.2 Ų30.22%0.02117%0.17CC..THydrogen-bonded Turntrans-109.5-35.4-175.150.20000113.8L115 S116 D143L115-S146 CarbonylContact C-O 3.57Å; S116-S146 PolarHBondContact N-O 3.18Å; D143-S146 PolarHBondContact N-OG 3.47Å; D143-S146 PolarHBondContact O-N 2.76Å; D143-S146 VanDerWaalsContact O-N 3.08Å; D143-S146 PolarHBondContact O-OG 3.27Å; D143-S146 WeakPolarHBondContact OD1-CB 3.32Å; D143-S146 PolarHBondContact OD1-N 2.88Å; D143-S146 PolarHBondContact OD1-OG 2.86Å
147T90.1Very high91.4Very high4 Ų433.9 Ų33.93%0.02520%0.196CC..  trans-153.6-174.2-179.6-1610000112.9D143 W174D143-T147 PolarHBondContact O-N 3.31Å; T147-W174 HydrophobicContact CG2-CH2 3.85Å; T147-W174 WeakPolarHBondContact O-CZ2 3.32Å
148F93.2Very high91.2Very high29 Ų2936.1 Ų36.113%0.12720%0.197CC..  trans-110.3147.4174.3-62.3-80.9000111.2S119 H122 H150 L151 L152 L178 E180 E181 A569S119-F148 WeakPolarHBondContact OG-CD2 3.17Å; S119-F148 VanDerWaalsContact OG-CE2 3.31Å; S119-F148 WeakPolarHBondContact OG-CE2 3.49Å; H122-F148 AromaticContact ND1-CE2 3.54Å; F148-H150 VanDerWaalsContact C-N 3.33Å; F148-H150 WeakPolarHBondContact CB-CE1 3.48Å; F148-H150 VanDerWaalsContact CB-ND1 3.28Å; F148-H150 WeakPolarHBondContact CB-ND1 3.48Å; F148-H150 AromaticContact CG-CE1 3.64Å; F148-H150 PolarHBondContact O-N 2.8Å; F148-L151 HydrophobicContact CB-CD1 4.45Å; F148-L151 HydrophobicContact CB-CG 4.32Å; F148-L151 HydrophobicContact CD2-CD1 4.08Å; F148-L151 PolarHBondContact O-N 3.03Å; F148-L151 VanDerWaalsContact O-N 3.13Å; F148-L152 PolarHBondContact O-N 3.38Å; F148-L178 HydrophobicContact CE1-CD1 4.42Å; F148-E180 HydrophobicContact CE1-CG 4.43Å; F148-E181 HydrophobicContact CB-CG 4.33Å; F148-E181 HydrophobicContact CD1-CG 3.47Å; F148-E181 VanDerWaalsContact CD1-CG 3.47Å; F148-E181 HydrophobicContact CE1-CG 4.24Å; F148-E181 HydrophobicContact CG-CG 4.36Å; F148-A569 HydrophobicContact CE2-CB 4.48Å; F148-A569 HydrophobicContact CZ-CB 4.04Å
149L95.5Very high91Very high1 Ų135.9 Ų35.91%0.00520%0.195CC..Hα-helixtrans-57.7-43-176.8-176.355.6000112.8L151 L152 L153 V170 W174 I176 L185L149-L151 VanDerWaalsContact C-N 3.3Å; L149-L151 PolarHBondContact O-N 3.15Å; L149-L152 WeakPolarHBondContact O-CB 3.46Å; L149-L152 PolarHBondContact O-N 3.01Å; L149-L152 VanDerWaalsContact O-N 3.17Å; L149-L153 HydrophobicContact CD1-CD1 4.07Å; L149-L153 HydrophobicContact CD1-CD2 4.28Å; L149-L153 HydrophobicContact CD1-CG 3.87Å; L149-L153 HydrophobicContact CD2-CD1 4.44Å; L149-L153 HydrophobicContact CG-CD1 3.89Å; L149-L153 HydrophobicContact CG-CG 4.11Å; L149-L153 WeakPolarHBondContact O-CB 3.45Å; L149-L153 WeakPolarHBondContact O-CG 3.29Å; L149-L153 PolarHBondContact O-N 2.87Å; L149-V170 HydrophobicContact CD1-CG1 4.05Å; L149-W174 HydrophobicContact CB-CD2 4.16Å; L149-W174 HydrophobicContact CB-CG 4.01Å; L149-W174 HydrophobicContact CD1-CB 3.99Å; L149-W174 HydrophobicContact CD1-CD2 3.99Å; L149-W174 HydrophobicContact CD1-CE3 4.3Å; L149-W174 HydrophobicContact CD1-CG 3.86Å; L149-W174 HydrophobicContact CD2-CB 3.97Å; L149-W174 HydrophobicContact CD2-CG 3.96Å; L149-W174 HydrophobicContact CG-CB 4.48Å; L149-W174 HydrophobicContact CG-CG 4.15Å; L149-I176 HydrophobicContact CD2-CD1 4.36Å; L149-I176 HydrophobicContact CD2-CG1 4.38Å; L149-L185 HydrophobicContact CD2-CD1 3.89Å; L149-L185 HydrophobicContact CG-CD1 4.33Å
150H95.8Very high90.9Very high1 Ų135.7 Ų35.71%0.00520%0.196CC..Hα-helixtrans-63.4-35.3-179.766-74000112.3H122 F148 G154 F184 L185 F190H122-H150 PolarHBondContact O-NE2 2.99Å; F148-H150 VanDerWaalsContact C-N 3.33Å; F148-H150 WeakPolarHBondContact CB-CE1 3.48Å; F148-H150 VanDerWaalsContact CB-ND1 3.28Å; F148-H150 WeakPolarHBondContact CB-ND1 3.48Å; F148-H150 AromaticContact CG-CE1 3.64Å; F148-H150 PolarHBondContact O-N 2.8Å; H150-G154 PolarHBondContact O-N 2.77Å; H150-F184 HydrophobicContact CB-CB 3.74Å; H150-F184 VanDerWaalsContact CD2-CB 3.48Å; H150-F184 WeakPolarHBondContact CD2-CB 3.49Å; H150-F184 AromaticContact CD2-CD2 3.66Å; H150-F184 AromaticContact CD2-CG 3.48Å; H150-F184 VanDerWaalsContact CD2-CG 3.48Å; H150-F184 WeakPolarHBondContact CD2-CG 3.46Å; H150-F184 AromaticContact CE1-CD2 3.26Å; H150-F184 WeakPolarHBondContact CE1-CD2 3.46Å; H150-F184 AromaticContact CE1-CE2 3.81Å; H150-F184 AromaticContact CE1-CG 3.89Å; H150-F184 VanDerWaalsContact CG-CB 3.43Å; H150-F184 AromaticContact CG-CG 3.89Å; H150-F184 AromaticContact ND1-CD2 3.83Å; H150-F184 AromaticContact NE2-CD2 3.14Å; H150-F184 WeakPolarHBondContact NE2-CD2 3.32Å; H150-F184 AromaticContact NE2-CE2 3.54Å; H150-F184 AromaticContact NE2-CG 3.48Å; H150-F184 WeakPolarHBondContact NE2-CG 3.46Å; H150-L185 HydrophobicContact CB-CD2 3.67Å; H150-L185 HydrophobicContact CB-CG 4.16Å; H150-F190 HydrophobicContact CB-CE2 3.86Å; H150-F190 HydrophobicContact CB-CZ 3.75Å; H150-F190 VanDerWaalsContact O-CZ 3.26Å; H150-F190 WeakPolarHBondContact O-CZ 3.34Å
151L96.3Very high90.7Very high0 Ų035.1 Ų35.10%019%0.191CC..Hα-helixtrans-66.5-42.1175.4-62.9-176.5000111.2H122 L124 L127 L135 F148 L149 G154 G155H122-L151 WeakPolarHBondContact O-CD2 3.48Å; L124-L151 HydrophobicContact CD2-CD2 3.9Å; L127-L151 HydrophobicContact CD1-CD2 4.06Å; L135-L151 HydrophobicContact CD1-CB 4.08Å; L135-L151 WeakPolarHBondContact CD1-O 3.3Å; F148-L151 HydrophobicContact CB-CD1 4.45Å; F148-L151 HydrophobicContact CB-CG 4.32Å; F148-L151 HydrophobicContact CD2-CD1 4.08Å; F148-L151 PolarHBondContact O-N 3.03Å; F148-L151 VanDerWaalsContact O-N 3.13Å; L149-L151 VanDerWaalsContact C-N 3.3Å; L149-L151 PolarHBondContact O-N 3.15Å; L151-G154 PolarHBondContact O-N 3.17Å; L151-G155 PolarHBondContact O-N 3.22Å
152L95.4Very high90.6Very high0 Ų041.3 Ų41.30%022%0.218CC..Hα-helixtrans-63.4-49.6177.7-171.865000111.5L135 W136 R139 F148 L149 G154 G155 V170 W174L135-L152 HydrophobicContact CB-CD1 4.24Å; L135-L152 WeakPolarHBondContact O-CD1 3.37Å; W136-L152 HydrophobicContact CE3-CG 4.37Å; R139-L152 HydrophobicContact CB-CD1 3.87Å; R139-L152 HydrophobicContact CB-CD2 4.12Å; R139-L152 HydrophobicContact CB-CG 4.3Å; F148-L152 PolarHBondContact O-N 3.38Å; L149-L152 WeakPolarHBondContact O-CB 3.46Å; L149-L152 PolarHBondContact O-N 3.01Å; L149-L152 VanDerWaalsContact O-N 3.17Å; L152-G154 VanDerWaalsContact C-N 3.33Å; L152-G154 PolarHBondContact O-N 2.83Å; L152-G155 WeakPolarHBondContact O-CA 3.32Å; L152-G155 PolarHBondContact O-N 2.88Å; L152-V170 HydrophobicContact CD2-CG1 3.73Å; L152-W174 HydrophobicContact CD2-CE3 4.46Å; L152-W174 HydrophobicContact CD2-CZ3 3.98Å
153L96.2Very high90.7Very high1 Ų143 Ų431%0.00523%0.227CC..Hα-helixtrans-65.2-34.2177.9-66.3-176.8000112.6W136 L149 G155 V156 I167 V171 L185 F190 V195W136-L153 HydrophobicContact CZ3-CD2 4.42Å; L149-L153 HydrophobicContact CD1-CD1 4.07Å; L149-L153 HydrophobicContact CD1-CD2 4.28Å; L149-L153 HydrophobicContact CD1-CG 3.87Å; L149-L153 HydrophobicContact CD2-CD1 4.44Å; L149-L153 HydrophobicContact CG-CD1 3.89Å; L149-L153 HydrophobicContact CG-CG 4.11Å; L149-L153 WeakPolarHBondContact O-CB 3.45Å; L149-L153 WeakPolarHBondContact O-CG 3.29Å; L149-L153 PolarHBondContact O-N 2.87Å; L153-G155 PolarHBondContact O-N 3.47Å; L153-V156 VanDerWaalsContact O-CB 3.23Å; L153-V156 WeakPolarHBondContact O-CB 3.47Å; L153-V156 WeakPolarHBondContact O-CG2 3.48Å; L153-V156 PolarHBondContact O-N 3.11Å; L153-V156 VanDerWaalsContact O-N 3.11Å; L153-I167 HydrophobicContact CD2-CG2 3.93Å; L153-V171 HydrophobicContact CD1-CG2 3.98Å; L153-V171 HydrophobicContact CD2-CG2 4.14Å; L153-L185 HydrophobicContact CD1-CD2 3.85Å; L153-F190 HydrophobicContact CB-CD1 4.4Å; L153-F190 HydrophobicContact CB-CE1 3.72Å; L153-V195 HydrophobicContact CD1-CG1 3.84Å; L153-V195 HydrophobicContact CD1-CG2 4.03Å
154G94.4Very high91.1Very high20 Ų2040.1 Ų40.121%0.20621%0.211CC..THydrogen-bonded Turntrans-69.7-8.9172.400000114.1H150 L151 L152H150-G154 PolarHBondContact O-N 2.77Å; L151-G154 PolarHBondContact O-N 3.17Å; L152-G154 VanDerWaalsContact C-N 3.33Å; L152-G154 PolarHBondContact O-N 2.83Å
155G94.4Very high91.8Very high6 Ų635.7 Ų35.76%0.06220%0.196CC..THydrogen-bonded Turntrans-84.3-14.7169.800000114.6K132 W136 L151 L152 L153K132-G155 WeakPolarHBondContact O-CA 3.19Å; W136-G155 WeakPolarHBondContact CB-O 3.39Å; L151-G155 PolarHBondContact O-N 3.22Å; L152-G155 WeakPolarHBondContact O-CA 3.32Å; L152-G155 PolarHBondContact O-N 2.88Å; L153-G155 PolarHBondContact O-N 3.47Å
156V94.8Very high92.4Very high16 Ų1635.3 Ų35.310%0.09718%0.179CC..  trans-57.5124.7-178.6172.60000110W136 L153 R158 W159 I167W136-V156 HydrophobicContact CD2-CB 4.41Å; W136-V156 HydrophobicContact CD2-CG2 3.77Å; W136-V156 HydrophobicContact CE3-CB 4.44Å; W136-V156 HydrophobicContact CE3-CG2 3.41Å; W136-V156 VanDerWaalsContact CE3-CG2 3.41Å; W136-V156 HydrophobicContact CH2-CG2 3.6Å; W136-V156 HydrophobicContact CZ2-CG2 3.91Å; W136-V156 HydrophobicContact CZ3-CG2 3.33Å; L153-V156 VanDerWaalsContact O-CB 3.23Å; L153-V156 WeakPolarHBondContact O-CB 3.47Å; L153-V156 WeakPolarHBondContact O-CG2 3.48Å; L153-V156 PolarHBondContact O-N 3.11Å; L153-V156 VanDerWaalsContact O-N 3.11Å; V156-R158 WeakPolarHBondContact CG1-O 3.43Å; V156-W159 HydrophobicContact CB-CZ2 4.42Å; V156-W159 HydrophobicContact CG1-CD2 4.5Å; V156-W159 HydrophobicContact CG1-CG 4.36Å; V156-W159 HydrophobicContact CG2-CZ2 4.33Å; V156-I167 HydrophobicContact CG1-CD1 3.62Å; V156-I167 HydrophobicContact CG1-CG1 4.25Å; V156-I167 HydrophobicContact CG2-CD1 4.3Å; V156-I167 HydrophobicContact CG2-CG1 4.14Å
157P90.3Very high93Very high94 Ų9435.2 Ų35.261%0.6118%0.178SC*.SBendtrans-70.8-38-175.126.2-33.8000112.4
158R89.9Confident93.3Very high142 Ų14235.1 Ų35.154%0.53618%0.177SC..  trans-149.4148-176-66.7-175.9-79.3167.5-3.8110.2V156V156-R158 WeakPolarHBondContact CG1-O 3.43Å
159W91.9Very high93.4Very high70 Ų7033.8 Ų33.827%0.26517%0.172SC..  trans-110.746.3178.4-72.973.5000110P11 V156 L164 I167 D192 V195P11-W159 WeakPolarHBondContact CB-O 3.5Å; V156-W159 HydrophobicContact CB-CZ2 4.42Å; V156-W159 HydrophobicContact CG1-CD2 4.5Å; V156-W159 HydrophobicContact CG1-CG 4.36Å; V156-W159 HydrophobicContact CG2-CZ2 4.33Å; W159-L164 HydrophobicContact CE3-CD2 3.77Å; W159-L164 HydrophobicContact CZ3-CD2 4.35Å; W159-I167 HydrophobicContact CD2-CD1 4.22Å; W159-I167 HydrophobicContact CE3-CD1 4.18Å; W159-I167 HydrophobicContact CH2-CG2 3.75Å; W159-I167 HydrophobicContact CZ3-CD1 4.43Å; W159-I167 HydrophobicContact CZ3-CG2 3.83Å; W159-D192 HydrophobicContact CE3-CB 4.18Å; W159-D192 HydrophobicContact CH2-CB 4.48Å; W159-D192 HydrophobicContact CZ3-CB 3.7Å; W159-V195 HydrophobicContact CH2-CG2 3.78Å; W159-V195 HydrophobicContact CZ3-CG2 4.02Å
160H90.2Very high93.3Very high47 Ų4733.7 Ų33.722%0.21817%0.171CC..  trans-77154.9176.3-69.6-58.1000110.6E9 E162 D163 L164E9-H160 PolarHBondContact O-ND1 2.85Å; H160-E162 HydrophobicContact CB-CG 3.97Å; H160-E162 PolarHBondContact O-N 3.5Å; H160-D163 PolarHBondContact N-OD2 3.4Å; H160-D163 PolarHBondContact O-N 2.98Å; H160-L164 WeakPolarHBondContact O-CG 3.41Å; H160-L164 PolarHBondContact O-N 3.38Å
161P87.2Confident93.2Very high29 Ų2934 Ų3419%0.18817%0.174CC..Hα-helixtrans-52-30177.9-30.938.4000115E9 Y92 P95E9-P161 WeakPolarHBondContact O-CD 3.48Å; Y92-P161 HydrophobicContact CE2-CG 4.37Å; P95-P161 WeakPolarHBondContact CG-O 3.41Å
162E87.9Confident93Very high147 Ų14740.2 Ų40.269%0.68720%0.202SC*.Hα-helixtrans-69.1-31.1175.460.3-171.3-159.600113.9H160H160-E162 HydrophobicContact CB-CG 3.97Å; H160-E162 PolarHBondContact O-N 3.5Å
163D91.4Very high92.8Very high40 Ų4044.4 Ų44.421%0.21423%0.225CC..Hα-helixtrans-84.7-24-179.4-58-56.5000112.3H160 T165 E166 I167H160-D163 PolarHBondContact N-OD2 3.4Å; H160-D163 PolarHBondContact O-N 2.98Å; D163-T165 VanDerWaalsContact C-N 3.31Å; D163-T165 PolarHBondContact O-N 2.95Å; D163-E166 PolarHBondContact O-N 3.4Å; D163-E166 VanDerWaalsContact O-N 3.14Å; D163-I167 HydrophobicContact CB-CD1 4.13Å; D163-I167 WeakPolarHBondContact O-CG1 3.42Å; D163-I167 PolarHBondContact O-N 3.44Å; D163-I167 VanDerWaalsContact O-N 3.13Å
164L94.1Very high92.6Very high1 Ų145.1 Ų45.11%0.00523%0.227CC..Hα-helixtrans-61.8-33.8-172.3-69.1-179.6000113.8Y92 P95 W159 H160 E166 I167 Y168Y92-L164 WeakPolarHBondContact OH-CD1 3.48Å; P95-L164 HydrophobicContact CB-CB 4.06Å; P95-L164 HydrophobicContact CG-CB 3.89Å; P95-L164 HydrophobicContact CG-CD1 4.03Å; W159-L164 HydrophobicContact CE3-CD2 3.77Å; W159-L164 HydrophobicContact CZ3-CD2 4.35Å; H160-L164 WeakPolarHBondContact O-CG 3.41Å; H160-L164 PolarHBondContact O-N 3.38Å; L164-E166 VanDerWaalsContact C-N 3.28Å; L164-E166 PolarHBondContact O-N 3.37Å; L164-I167 HydrophobicContact CD2-CD1 4.24Å; L164-I167 PolarHBondContact O-N 2.99Å; L164-Y168 HydrophobicContact CB-CD2 4.41Å; L164-Y168 HydrophobicContact CB-CE2 4.04Å; L164-Y168 HydrophobicContact CD2-CE1 4.22Å; L164-Y168 WeakPolarHBondContact O-CB 3.37Å; L164-Y168 WeakPolarHBondContact O-CD2 3.25Å; L164-Y168 PolarHBondContact O-N 3.25Å
165T94.4Very high92.4Very high43 Ų4347.8 Ų47.826%0.26424%0.241SC..Hα-helixtrans-58.7-43.9177.2-57.10000110.6I96 L98 L101 D163 T169I96-T165 WeakPolarHBondContact O-CG2 3.48Å; L98-T165 HydrophobicContact CB-CG2 3.82Å; L101-T165 HydrophobicContact CD2-CG2 3.93Å; D163-T165 VanDerWaalsContact C-N 3.31Å; D163-T165 PolarHBondContact O-N 2.95Å; T165-T169 WeakPolarHBondContact O-CB 3.33Å; T165-T169 PolarHBondContact O-N 3.41Å; T165-T169 PolarHBondContact O-OG1 3.11Å
166E94.2Very high92.4Very high48 Ų4848.5 Ų48.522%0.22424%0.243CC..Hα-helixtrans-69.3-45.3178.2-171.9176.5-15500111.2L101 I102 R139 D163 L164 Y168 T169 V170L101-E166 HydrophobicContact CD2-CB 4.12Å; L101-E166 HydrophobicContact CD2-CG 4.49Å; I102-E166 HydrophobicContact CD1-CG 3.74Å; I102-E166 HydrophobicContact CG1-CG 4.15Å; R139-E166 IonicContact CZ-OE1 3.13Å; R139-E166 IonicContact CZ-OE2 3.71Å; R139-E166 VanDerWaalsContact NE-CD 3.27Å; R139-E166 IonicContact NE-OE1 2.75Å; R139-E166 PolarHBondContact NE-OE1 3.07Å; R139-E166 IonicContact NE-OE2 3.58Å; R139-E166 VanDerWaalsContact NH2-CD 3.31Å; R139-E166 IonicContact NH2-OE1 2.68Å; R139-E166 PolarHBondContact NH2-OE1 2.97Å; R139-E166 IonicContact NH2-OE2 3.2Å; R139-E166 PolarHBondContact NH2-OE2 2.75Å; D163-E166 PolarHBondContact O-N 3.4Å; D163-E166 VanDerWaalsContact O-N 3.14Å; L164-E166 VanDerWaalsContact C-N 3.28Å; L164-E166 PolarHBondContact O-N 3.37Å; E166-Y168 PolarHBondContact O-N 2.96Å; E166-T169 WeakPolarHBondContact O-CB 3.2Å; E166-T169 PolarHBondContact O-N 3.35Å; E166-T169 VanDerWaalsContact O-N 3.16Å; E166-V170 PolarHBondContact O-N 3.33Å
167I95.6Very high92.2Very high0 Ų052.8 Ų52.80%026%0.262CS..Hα-helixtrans-58-48.8177.8-65.3163000111W136 L153 V156 W159 D163 L164 T169 V170 V171W136-I167 HydrophobicContact CH2-CB 4.45Å; W136-I167 HydrophobicContact CH2-CG1 3.71Å; W136-I167 HydrophobicContact CZ2-CG1 3.95Å; L153-I167 HydrophobicContact CD2-CG2 3.93Å; V156-I167 HydrophobicContact CG1-CD1 3.62Å; V156-I167 HydrophobicContact CG1-CG1 4.25Å; V156-I167 HydrophobicContact CG2-CD1 4.3Å; V156-I167 HydrophobicContact CG2-CG1 4.14Å; W159-I167 HydrophobicContact CD2-CD1 4.22Å; W159-I167 HydrophobicContact CE3-CD1 4.18Å; W159-I167 HydrophobicContact CH2-CG2 3.75Å; W159-I167 HydrophobicContact CZ3-CD1 4.43Å; W159-I167 HydrophobicContact CZ3-CG2 3.83Å; D163-I167 HydrophobicContact CB-CD1 4.13Å; D163-I167 WeakPolarHBondContact O-CG1 3.42Å; D163-I167 PolarHBondContact O-N 3.44Å; D163-I167 VanDerWaalsContact O-N 3.13Å; L164-I167 HydrophobicContact CD2-CD1 4.24Å; L164-I167 PolarHBondContact O-N 2.99Å; I167-T169 VanDerWaalsContact C-N 3.28Å; I167-T169 PolarHBondContact O-N 3.15Å; I167-V170 WeakPolarHBondContact O-CB 3.39Å; I167-V170 PolarHBondContact O-N 3.29Å; I167-V170 VanDerWaalsContact O-N 3.09Å; I167-V171 WeakPolarHBondContact O-CG2 3.4Å; I167-V171 PolarHBondContact O-N 3.16Å
168Y95.9Very high92.3Very high2 Ų251.2 Ų51.21%0.00825%0.248CC..Hα-helixtrans-66.3-32.8178.9-62.6-17000111.9R94 P95 L164 E166 V170 V171 E172 D192 T194R94-Y168 HydrophobicContact CG-CE2 3.93Å; R94-Y168 PolarHBondContact NH1-OH 3.13Å; P95-Y168 HydrophobicContact CB-CE2 4.49Å; P95-Y168 WeakPolarHBondContact O-CD2 3.48Å; P95-Y168 VanDerWaalsContact O-CE2 3.3Å; P95-Y168 WeakPolarHBondContact O-CE2 3.41Å; L164-Y168 HydrophobicContact CB-CD2 4.41Å; L164-Y168 HydrophobicContact CB-CE2 4.04Å; L164-Y168 HydrophobicContact CD2-CE1 4.22Å; L164-Y168 WeakPolarHBondContact O-CB 3.37Å; L164-Y168 WeakPolarHBondContact O-CD2 3.25Å; L164-Y168 PolarHBondContact O-N 3.25Å; E166-Y168 PolarHBondContact O-N 2.96Å; Y168-V170 VanDerWaalsContact C-N 3.31Å; Y168-V170 PolarHBondContact O-N 2.85Å; Y168-V171 PolarHBondContact O-N 3.08Å; Y168-E172 WeakPolarHBondContact O-CB 3.28Å; Y168-E172 WeakPolarHBondContact O-CG 3.21Å; Y168-E172 PolarHBondContact O-N 3.33Å; Y168-D192 WeakPolarHBondContact CE1-OD1 3.19Å; Y168-D192 PolarHBondContact OH-OD2 2.89Å; Y168-T194 HydrophobicContact CD1-CG2 3.76Å; Y168-T194 HydrophobicContact CD2-CG2 4.47Å; Y168-T194 HydrophobicContact CE1-CG2 3.95Å; Y168-T194 HydrophobicContact CG-CG2 4.04Å
169T94.6Very high92.6Very high1 Ų144.6 Ų44.61%0.00622%0.224CC..Hα-helixtrans-62-39.3171.5-54.70000111.4L98 L101 I102 T165 E166 I167 N173L98-T169 PolarHBondContact N-OG1 3.42Å; L98-T169 WeakPolarHBondContact O-CG2 3.3Å; L98-T169 PolarHBondContact O-OG1 3.21Å; L101-T169 HydrophobicContact CB-CG2 4.35Å; I102-T169 HydrophobicContact CD1-CG2 4.23Å; I102-T169 HydrophobicContact CG1-CG2 4.24Å; T165-T169 WeakPolarHBondContact O-CB 3.33Å; T165-T169 PolarHBondContact O-N 3.41Å; T165-T169 PolarHBondContact O-OG1 3.11Å; E166-T169 WeakPolarHBondContact O-CB 3.2Å; E166-T169 PolarHBondContact O-N 3.35Å; E166-T169 VanDerWaalsContact O-N 3.16Å; I167-T169 VanDerWaalsContact C-N 3.28Å; I167-T169 PolarHBondContact O-N 3.15Å; T169-N173 WeakPolarHBondContact O-CB 3.31Å; T169-N173 PolarHBondContact O-N 3.45Å; T169-N173 PolarHBondContact O-ND2 2.96Å
170V94.4Very high92.7Very high0 Ų041.5 Ų41.50%021%0.212CC..Hα-helixtrans-63.8-47.8172.8176.80000111I102 W136 L149 L152 E166 I167 Y168 N173 W174I102-V170 HydrophobicContact CD1-CG2 3.42Å; I102-V170 VanDerWaalsContact CD1-CG2 3.42Å; W136-V170 HydrophobicContact CH2-CG2 4.28Å; W136-V170 HydrophobicContact CZ3-CG2 4.48Å; L149-V170 HydrophobicContact CD1-CG1 4.05Å; L152-V170 HydrophobicContact CD2-CG1 3.73Å; E166-V170 PolarHBondContact O-N 3.33Å; I167-V170 WeakPolarHBondContact O-CB 3.39Å; I167-V170 PolarHBondContact O-N 3.29Å; I167-V170 VanDerWaalsContact O-N 3.09Å; Y168-V170 VanDerWaalsContact C-N 3.31Å; Y168-V170 PolarHBondContact O-N 2.85Å; V170-N173 PolarHBondContact O-N 3.04Å; V170-W174 WeakPolarHBondContact O-CB 3.44Å; V170-W174 PolarHBondContact O-N 3.42Å
171V94.6Very high92.9Very high8 Ų839.6 Ų39.65%0.04820%0.203CC..Hα-helixtrans-60.3-48-178.4175.30000111.7L153 I167 Y168 N173 W174 V195 A198L153-V171 HydrophobicContact CD1-CG2 3.98Å; L153-V171 HydrophobicContact CD2-CG2 4.14Å; I167-V171 WeakPolarHBondContact O-CG2 3.4Å; I167-V171 PolarHBondContact O-N 3.16Å; Y168-V171 PolarHBondContact O-N 3.08Å; V171-N173 VanDerWaalsContact C-N 3.28Å; V171-N173 PolarHBondContact O-N 3.45Å; V171-W174 PolarHBondContact O-N 3.29Å; V171-W174 VanDerWaalsContact O-N 3.1Å; V171-V195 HydrophobicContact CG2-CG2 4.15Å; V171-A198 HydrophobicContact CG1-CB 3.61Å
172E92.1Very high93.4Very high129 Ų12938.2 Ų38.260%0.60319%0.194SC*.Hα-helixtrans-66.6-28.8-179.1-73.5-173.7-170.300113.2A97 Y168 W174A97-E172 HydrophobicContact CB-CB 4.47Å; A97-E172 HydrophobicContact CB-CG 4.03Å; A97-E172 VanDerWaalsContact CB-OE1 3.3Å; A97-E172 WeakPolarHBondContact CB-OE1 3.31Å; A97-E172 WeakPolarHBondContact CB-OE2 3.23Å; Y168-E172 WeakPolarHBondContact O-CB 3.28Å; Y168-E172 WeakPolarHBondContact O-CG 3.21Å; Y168-E172 PolarHBondContact O-N 3.33Å; E172-W174 VanDerWaalsContact C-N 3.3Å
173N90.6Very high93.8Very high88 Ų8831.2 Ų31.247%0.47116%0.162SC..THydrogen-bonded Turntrans-87.94.2175.9-72.4-78.7000113.2F104 T169 V170 V171 P175F104-N173 HydrophobicContact CE2-CB 3.72Å; F104-N173 HydrophobicContact CZ-CB 3.86Å; T169-N173 WeakPolarHBondContact O-CB 3.31Å; T169-N173 PolarHBondContact O-N 3.45Å; T169-N173 PolarHBondContact O-ND2 2.96Å; V170-N173 PolarHBondContact O-N 3.04Å; V171-N173 VanDerWaalsContact C-N 3.28Å; V171-N173 PolarHBondContact O-N 3.45Å; N173-P175 VanDerWaalsContact O-CD 3.29Å; N173-P175 WeakPolarHBondContact O-CD 3.49Å
174W92.2Very high94.1Very high16 Ų1629.4 Ų29.46%0.06115%0.152CC..  trans-114.690.1-179.1-161.4-70.7000111.8D143 K144 T147 L149 L152 V170 V171 E172 I176 E181D143-W174 VanDerWaalsContact CA-CH2 3.44Å; D143-W174 WeakPolarHBondContact O-CH2 3.37Å; K144-W174 HydrophobicContact CB-CZ2 4.4Å; T147-W174 HydrophobicContact CG2-CH2 3.85Å; T147-W174 WeakPolarHBondContact O-CZ2 3.32Å; L149-W174 HydrophobicContact CB-CD2 4.16Å; L149-W174 HydrophobicContact CB-CG 4.01Å; L149-W174 HydrophobicContact CD1-CB 3.99Å; L149-W174 HydrophobicContact CD1-CD2 3.99Å; L149-W174 HydrophobicContact CD1-CE3 4.3Å; L149-W174 HydrophobicContact CD1-CG 3.86Å; L149-W174 HydrophobicContact CD2-CB 3.97Å; L149-W174 HydrophobicContact CD2-CG 3.96Å; L149-W174 HydrophobicContact CG-CB 4.48Å; L149-W174 HydrophobicContact CG-CG 4.15Å; L152-W174 HydrophobicContact CD2-CE3 4.46Å; L152-W174 HydrophobicContact CD2-CZ3 3.98Å; V170-W174 WeakPolarHBondContact O-CB 3.44Å; V170-W174 PolarHBondContact O-N 3.42Å; V171-W174 PolarHBondContact O-N 3.29Å; V171-W174 VanDerWaalsContact O-N 3.1Å; E172-W174 VanDerWaalsContact C-N 3.3Å; W174-I176 PolarHBondContact O-N 3.02Å; W174-E181 PolarHBondContact NE1-OE2 2.85Å
175P90.1Very high94.2Very high77 Ų7729.3 Ų29.350%0.515%0.152SC..  trans-70.4118.6178.629.3-35.8000111N173 H177N173-P175 VanDerWaalsContact O-CD 3.29Å; N173-P175 WeakPolarHBondContact O-CD 3.49Å; P175-H177 VanDerWaalsContact CB-CE1 3.48Å; P175-H177 WeakPolarHBondContact CB-CE1 3.31Å; P175-H177 PolarHBondContact O-CE1 3.09Å; P175-H177 PolarHBondContact O-ND1 3.39Å
176I93.8Very high94.4Very high21 Ų2127.3 Ų27.311%0.10814%0.139CC..  trans-79.6122.4178-60.2169000109.1L149 W174 E181 A182 L185 A198 Y202L149-I176 HydrophobicContact CD2-CD1 4.36Å; L149-I176 HydrophobicContact CD2-CG1 4.38Å; W174-I176 PolarHBondContact O-N 3.02Å; I176-E181 HydrophobicContact CG2-CB 3.88Å; I176-A182 HydrophobicContact CG2-CB 4.12Å; I176-L185 HydrophobicContact CD1-CD1 3.62Å; I176-A198 HydrophobicContact CD1-CB 4.27Å; I176-Y202 HydrophobicContact CG2-CD2 4.05Å; I176-Y202 HydrophobicContact CG2-CG 4.07Å; I176-Y202 WeakPolarHBondContact O-CD2 3.45Å
177H90.2Very high94.3Very high106 Ų10625 Ų2549%0.49113%0.128SC..  trans-119.2-16.2-179.1-63.384.1000113.6P175 Y202P175-H177 VanDerWaalsContact CB-CE1 3.48Å; P175-H177 WeakPolarHBondContact CB-CE1 3.31Å; P175-H177 PolarHBondContact O-CE1 3.09Å; P175-H177 PolarHBondContact O-ND1 3.39Å; H177-Y202 VanDerWaalsContact C-CE2 3.48Å; H177-Y202 WeakPolarHBondContact O-CE2 3.38Å
178L93.1Very high94.1Very high61 Ų6125.8 Ų25.832%0.31913%0.133SC..SBendtrans-111.9139.4-175.5-67.1175.4000110.4F148 E180 E181F148-L178 HydrophobicContact CE1-CD1 4.42Å; L178-E180 VanDerWaalsContact C-N 3.26Å; L178-E180 HydrophobicContact CB-CG 3.84Å; L178-E180 HydrophobicContact CD1-CG 4.43Å; L178-E180 PolarHBondContact O-N 3.38Å; L178-E181 PolarHBondContact O-N 3.19Å
179P96Very high93.9Very high3 Ų327.4 Ų27.42%0.01915%0.145CC..Hα-helixtrans-64.1-33.8-18024-29.8000111.9E181 A182 L183 Y202 F214 W399 L570P179-E181 VanDerWaalsContact C-N 3.32Å; P179-E181 PolarHBondContact O-N 3.02Å; P179-A182 PolarHBondContact O-N 2.96Å; P179-L183 WeakPolarHBondContact O-CB 3.49Å; P179-L183 VanDerWaalsContact O-CG 3.26Å; P179-L183 WeakPolarHBondContact O-CG 3.41Å; P179-L183 PolarHBondContact O-N 2.8Å; P179-Y202 VanDerWaalsContact CA-CE1 3.48Å; P179-Y202 HydrophobicContact CB-CE1 3.82Å; P179-Y202 WeakPolarHBondContact CD-OH 3.06Å; P179-F214 HydrophobicContact CB-CE1 4.34Å; P179-F214 HydrophobicContact CB-CE2 3.91Å; P179-F214 HydrophobicContact CB-CZ 3.72Å; P179-F214 HydrophobicContact CG-CE2 4.42Å; P179-F214 HydrophobicContact CG-CZ 3.96Å; P179-W399 HydrophobicContact CG-CH2 4.49Å; P179-L570 HydrophobicContact CB-CD1 4.28Å; P179-L570 HydrophobicContact CG-CD1 3.94Å
180E95.1Very high93.9Very high5 Ų527.7 Ų27.72%0.02315%0.146CC..Hα-helixtrans-56.7-40.8176.448.5-98.9-124.400113.7F148 L178 F184 R567 A569 L570F148-E180 HydrophobicContact CE1-CG 4.43Å; L178-E180 VanDerWaalsContact C-N 3.26Å; L178-E180 HydrophobicContact CB-CG 3.84Å; L178-E180 HydrophobicContact CD1-CG 4.43Å; L178-E180 PolarHBondContact O-N 3.38Å; E180-F184 WeakPolarHBondContact O-CD2 3.27Å; E180-F184 PolarHBondContact O-N 3.32Å; E180-R567 IonicContact OE1-CZ 2.62Å; E180-R567 IonicContact OE1-NE 2.97Å; E180-R567 PolarHBondContact OE1-NE 2.81Å; E180-R567 IonicContact OE1-NH2 3.87Å; E180-R567 PolarHBondContact OE1-NH2 2.81Å; E180-R567 IonicContact OE2-CZ 3.98Å; E180-R567 IonicContact OE2-NE 3.79Å; E180-R567 IonicContact OE2-NH2 2.75Å; E180-R567 PolarHBondContact OE2-NH2 2.96Å; E180-A569 HydrophobicContact CB-CB 3.91Å; E180-A569 HydrophobicContact CG-CB 3.91Å; E180-L570 HydrophobicContact CB-CB 4.19Å; E180-L570 HydrophobicContact CB-CD1 4.32Å
181E93.6Very high93.8Very high7 Ų730 Ų303%0.03316%0.161CC..Hα-helixtrans-64.8-47.5177.1-75.7-176.9-105.900110.9F148 W174 I176 L178 P179 L183 F184 L185F148-E181 HydrophobicContact CB-CG 4.33Å; F148-E181 HydrophobicContact CD1-CG 3.47Å; F148-E181 VanDerWaalsContact CD1-CG 3.47Å; F148-E181 HydrophobicContact CE1-CG 4.24Å; F148-E181 HydrophobicContact CG-CG 4.36Å; W174-E181 PolarHBondContact NE1-OE2 2.85Å; I176-E181 HydrophobicContact CG2-CB 3.88Å; L178-E181 PolarHBondContact O-N 3.19Å; P179-E181 VanDerWaalsContact C-N 3.32Å; P179-E181 PolarHBondContact O-N 3.02Å; E181-L183 PolarHBondContact O-N 2.86Å; E181-F184 PolarHBondContact O-N 3.04Å; E181-L185 VanDerWaalsContact O-CG 3.31Å; E181-L185 WeakPolarHBondContact O-CG 3.38Å; E181-L185 PolarHBondContact O-N 3.36Å
182A97.3Very high93.8Very high0 Ų029.8 Ų29.80%016%0.16CC..Hα-helixtrans-62.1-44.117800000111.6I176 P179 F184 L185 L186 A199 Y202 F203I176-A182 HydrophobicContact CG2-CB 4.12Å; P179-A182 PolarHBondContact O-N 2.96Å; A182-F184 PolarHBondContact O-N 3.39Å; A182-L185 PolarHBondContact O-N 2.98Å; A182-L186 WeakPolarHBondContact O-CG 3.37Å; A182-L186 PolarHBondContact O-N 3.22Å; A182-A199 HydrophobicContact CB-CB 4.29Å; A182-A199 WeakPolarHBondContact O-CB 3.1Å; A182-Y202 HydrophobicContact CB-CD1 3.58Å; A182-Y202 HydrophobicContact CB-CE1 4.39Å; A182-Y202 HydrophobicContact CB-CG 3.98Å; A182-F203 HydrophobicContact CB-CD2 4.18Å; A182-F203 HydrophobicContact CB-CE2 3.53Å; A182-F203 HydrophobicContact CB-CZ 4.01Å
183L97.6Very high93.8Very high0 Ų025.6 Ų25.60%014%0.14CC..Hα-helixtrans-61.4-44.8178.8-71.6171.6000112P179 E181 L185 L186 F203 F214 Q217 L218 L570 S573 M574 L577P179-L183 WeakPolarHBondContact O-CB 3.49Å; P179-L183 VanDerWaalsContact O-CG 3.26Å; P179-L183 WeakPolarHBondContact O-CG 3.41Å; P179-L183 PolarHBondContact O-N 2.8Å; E181-L183 PolarHBondContact O-N 2.86Å; L183-L185 VanDerWaalsContact C-N 3.3Å; L183-L185 PolarHBondContact O-N 3.36Å; L183-L186 PolarHBondContact O-N 2.91Å; L183-L186 VanDerWaalsContact O-N 3.07Å; L183-F203 HydrophobicContact CD2-CE2 4.41Å; L183-F203 HydrophobicContact CD2-CZ 3.71Å; L183-F203 HydrophobicContact CG-CZ 3.96Å; L183-F214 HydrophobicContact CD1-CD1 3.84Å; L183-F214 HydrophobicContact CD1-CE1 4.06Å; L183-Q217 HydrophobicContact CD2-CB 4.01Å; L183-L218 HydrophobicContact CD2-CD2 4.49Å; L183-L570 HydrophobicContact CD1-CD1 4.16Å; L183-S573 WeakPolarHBondContact CD1-OG 3.4Å; L183-M574 HydrophobicContact CD1-CG 3.96Å; L183-L577 HydrophobicContact CB-CD1 4.07Å; L183-L577 HydrophobicContact CD2-CD1 3.74Å; L183-L577 HydrophobicContact CG-CD1 4.49Å
184F96.8Very high94Very high1 Ų123 Ų230%0.00413%0.128CC..Hα-helixtrans-62.3-37.3177.5-79.3-59.5000112.7H150 E180 E181 A182 L186 T187 F190 A569 L572 E576H150-F184 HydrophobicContact CB-CB 3.74Å; H150-F184 VanDerWaalsContact CD2-CB 3.48Å; H150-F184 WeakPolarHBondContact CD2-CB 3.49Å; H150-F184 AromaticContact CD2-CD2 3.66Å; H150-F184 AromaticContact CD2-CG 3.48Å; H150-F184 VanDerWaalsContact CD2-CG 3.48Å; H150-F184 WeakPolarHBondContact CD2-CG 3.46Å; H150-F184 AromaticContact CE1-CD2 3.26Å; H150-F184 WeakPolarHBondContact CE1-CD2 3.46Å; H150-F184 AromaticContact CE1-CE2 3.81Å; H150-F184 AromaticContact CE1-CG 3.89Å; H150-F184 VanDerWaalsContact CG-CB 3.43Å; H150-F184 AromaticContact CG-CG 3.89Å; H150-F184 AromaticContact ND1-CD2 3.83Å; H150-F184 AromaticContact NE2-CD2 3.14Å; H150-F184 WeakPolarHBondContact NE2-CD2 3.32Å; H150-F184 AromaticContact NE2-CE2 3.54Å; H150-F184 AromaticContact NE2-CG 3.48Å; H150-F184 WeakPolarHBondContact NE2-CG 3.46Å; E180-F184 WeakPolarHBondContact O-CD2 3.27Å; E180-F184 PolarHBondContact O-N 3.32Å; E181-F184 PolarHBondContact O-N 3.04Å; A182-F184 PolarHBondContact O-N 3.39Å; F184-L186 PolarHBondContact O-N 3.5Å; F184-T187 WeakPolarHBondContact O-CB 3.47Å; F184-T187 VanDerWaalsContact O-CG2 3.26Å; F184-T187 WeakPolarHBondContact O-CG2 3.24Å; F184-T187 PolarHBondContact O-N 3.01Å; F184-T187 PolarHBondContact O-OG1 2.95Å; F184-F190 WeakPolarHBondContact O-CD2 3.34Å; F184-F190 WeakPolarHBondContact O-CE2 3.49Å; F184-A569 HydrophobicContact CE2-CB 4.19Å; F184-A569 WeakPolarHBondContact CE2-O 3.43Å; F184-L572 HydrophobicContact CZ-CB 4.02Å; F184-E576 WeakPolarHBondContact CD1-OE2 3.4Å; F184-E576 WeakPolarHBondContact CE1-OE2 3.37Å
185L97.2Very high94.2Very high0 Ų022.3 Ų22.30%013%0.125CC..Hα-helixtrans-71.7-11.9176.7-65.5174.4000113.5L149 H150 L153 I176 E181 A182 L183 F190 V195 A199L149-L185 HydrophobicContact CD2-CD1 3.89Å; L149-L185 HydrophobicContact CG-CD1 4.33Å; H150-L185 HydrophobicContact CB-CD2 3.67Å; H150-L185 HydrophobicContact CB-CG 4.16Å; L153-L185 HydrophobicContact CD1-CD2 3.85Å; I176-L185 HydrophobicContact CD1-CD1 3.62Å; E181-L185 VanDerWaalsContact O-CG 3.31Å; E181-L185 WeakPolarHBondContact O-CG 3.38Å; E181-L185 PolarHBondContact O-N 3.36Å; A182-L185 PolarHBondContact O-N 2.98Å; L183-L185 VanDerWaalsContact C-N 3.3Å; L183-L185 PolarHBondContact O-N 3.36Å; L185-F190 HydrophobicContact CD2-CD1 4.33Å; L185-F190 HydrophobicContact CD2-CD2 4.31Å; L185-F190 HydrophobicContact CD2-CE1 4.35Å; L185-F190 HydrophobicContact CD2-CE2 4.31Å; L185-F190 HydrophobicContact CD2-CG 4.3Å; L185-F190 HydrophobicContact CD2-CZ 4.31Å; L185-F190 WeakPolarHBondContact O-CB 3.43Å; L185-V195 HydrophobicContact CB-CG1 4.27Å; L185-V195 HydrophobicContact CD2-CG1 3.72Å; L185-V195 HydrophobicContact CG-CG1 4.4Å; L185-A199 HydrophobicContact CB-CB 3.71Å; L185-A199 HydrophobicContact CD1-CB 4.39Å
186L96.9Very high94.5Very high0 Ų018.7 Ų18.70%010%0.101CC..THydrogen-bonded Turntrans-91.9-3.2173.1-69.1178.4000113.5A182 L183 F184 R196 A199 V200 F203 L218 A221 L577A182-L186 WeakPolarHBondContact O-CG 3.37Å; A182-L186 PolarHBondContact O-N 3.22Å; L183-L186 PolarHBondContact O-N 2.91Å; L183-L186 VanDerWaalsContact O-N 3.07Å; F184-L186 PolarHBondContact O-N 3.5Å; L186-R196 HydrophobicContact CD2-CB 4.44Å; L186-R196 PolarHBondContact O-NH1 3.24Å; L186-R196 PolarHBondContact O-NH2 2.96Å; L186-A199 HydrophobicContact CD2-CB 4.01Å; L186-A199 HydrophobicContact CG-CB 3.97Å; L186-V200 HydrophobicContact CD2-CG2 4.1Å; L186-F203 HydrophobicContact CD1-CD2 4.17Å; L186-F203 HydrophobicContact CD1-CE2 3.71Å; L186-L218 HydrophobicContact CD1-CD2 3.55Å; L186-A221 HydrophobicContact CB-CB 3.93Å; L186-A221 HydrophobicContact CD1-CB 4.5Å; L186-L577 HydrophobicContact CB-CD2 4.46Å
187T93.8Very high94.7Very high0 Ų023 Ų230%012%0.119CC..SBendtrans-70.7164.5178.573.70000111.9F184 S189 F190 R196 E576 L577F184-T187 WeakPolarHBondContact O-CB 3.47Å; F184-T187 VanDerWaalsContact O-CG2 3.26Å; F184-T187 WeakPolarHBondContact O-CG2 3.24Å; F184-T187 PolarHBondContact O-N 3.01Å; F184-T187 PolarHBondContact O-OG1 2.95Å; T187-S189 PolarHBondContact O-N 3.05Å; T187-S189 PolarHBondContact OG1-N 3.26Å; T187-F190 PolarHBondContact O-N 3.14Å; T187-F190 VanDerWaalsContact O-N 3.12Å; T187-R196 PolarHBondContact O-NH1 3.49Å; T187-E576 HydrophobicContact CG2-CB 4.46Å; T187-E576 HydrophobicContact CG2-CG 3.96Å; T187-E576 WeakPolarHBondContact CG2-OE1 3.5Å; T187-L577 HydrophobicContact CG2-CD2 3.82Å; T187-L577 HydrophobicContact CG2-CG 3.95Å
188P91.1Very high95Very high16 Ų1619 Ų1910%0.10411%0.105CC..THydrogen-bonded Turntrans-59.8-13.7175.3-23.633.1000114.7F62 F190 S224F62-P188 HydrophobicContact CB-CB 4.07Å; F62-P188 HydrophobicContact CB-CG 4.42Å; P188-F190 PolarHBondContact O-N 3.33Å; P188-S224 WeakPolarHBondContact CG-OG 3.39Å
189S91.3Very high95.2Very high37 Ų3716.1 Ų16.126%0.2599%0.09SC..THydrogen-bonded Turntrans-68.2-20.2175.9-60.10000113T187 P191T187-S189 PolarHBondContact O-N 3.05Å; T187-S189 PolarHBondContact OG1-N 3.26Å; S189-P191 WeakPolarHBondContact O-CD 3.13Å
190F93.9Very high95.3Very high6 Ų616.1 Ų16.13%0.0269%0.09CC..  trans-12681.9-177.2-55.8-78.9000110.7L124 H150 L153 F184 L185 T187 P188 D192 V195 R196L124-F190 HydrophobicContact CD1-CE1 4.42Å; L124-F190 HydrophobicContact CD1-CE2 3.97Å; L124-F190 HydrophobicContact CD1-CZ 3.58Å; L124-F190 HydrophobicContact CG-CZ 4.49Å; H150-F190 HydrophobicContact CB-CE2 3.86Å; H150-F190 HydrophobicContact CB-CZ 3.75Å; H150-F190 VanDerWaalsContact O-CZ 3.26Å; H150-F190 WeakPolarHBondContact O-CZ 3.34Å; L153-F190 HydrophobicContact CB-CD1 4.4Å; L153-F190 HydrophobicContact CB-CE1 3.72Å; F184-F190 WeakPolarHBondContact O-CD2 3.34Å; F184-F190 WeakPolarHBondContact O-CE2 3.49Å; L185-F190 HydrophobicContact CD2-CD1 4.33Å; L185-F190 HydrophobicContact CD2-CD2 4.31Å; L185-F190 HydrophobicContact CD2-CE1 4.35Å; L185-F190 HydrophobicContact CD2-CE2 4.31Å; L185-F190 HydrophobicContact CD2-CG 4.3Å; L185-F190 HydrophobicContact CD2-CZ 4.31Å; L185-F190 WeakPolarHBondContact O-CB 3.43Å; T187-F190 PolarHBondContact O-N 3.14Å; T187-F190 VanDerWaalsContact O-N 3.12Å; P188-F190 PolarHBondContact O-N 3.33Å; F190-D192 VanDerWaalsContact C-N 3.35Å; F190-V195 HydrophobicContact CB-CG1 4.13Å; F190-V195 HydrophobicContact CD1-CG1 4.38Å; F190-V195 HydrophobicContact CG-CG1 4.44Å; F190-R196 WeakPolarHBondContact O-CD 3.41Å; F190-R196 VanDerWaalsContact O-CG 3.26Å; F190-R196 WeakPolarHBondContact O-CG 3.31Å; F190-R196 PolarHBondContact O-NH1 3.14Å; F190-R196 VanDerWaalsContact O-NH1 3.07Å
191P92Very high95.4Very high48 Ų4819.1 Ų19.131%0.31211%0.106SC..  trans-76.7-21177.730.9-35.1000113.2E13 S189 E193E13-P191 HydrophobicContact CB-CB 4.17Å; E13-P191 HydrophobicContact CB-CG 4.3Å; E13-P191 HydrophobicContact CG-CB 4.32Å; E13-P191 WeakPolarHBondContact CG-O 3.17Å; S189-P191 WeakPolarHBondContact O-CD 3.13Å; P191-E193 PolarHBondContact O-N 3.03Å
192D94.6Very high95.6Very high4 Ų419.8 Ų19.82%0.02111%0.108CC..  trans-57.9125-174.5177-86.6000113R94 W159 Y168 F190 T194 V195 R196R94-D192 IonicContact NH1-OD2 3.3Å; R94-D192 PolarHBondContact NH1-OD2 3.2Å; W159-D192 HydrophobicContact CE3-CB 4.18Å; W159-D192 HydrophobicContact CH2-CB 4.48Å; W159-D192 HydrophobicContact CZ3-CB 3.7Å; Y168-D192 WeakPolarHBondContact CE1-OD1 3.19Å; Y168-D192 PolarHBondContact OH-OD2 2.89Å; F190-D192 VanDerWaalsContact C-N 3.35Å; D192-T194 VanDerWaalsContact C-N 3.32Å; D192-T194 PolarHBondContact O-N 3.45Å; D192-T194 WeakPolarHBondContact OD1-CA 3.41Å; D192-T194 VanDerWaalsContact OD1-CB 3.26Å; D192-T194 WeakPolarHBondContact OD1-CB 3.36Å; D192-T194 PolarHBondContact OD1-N 3.5Å; D192-V195 HydrophobicContact CB-CB 4.28Å; D192-V195 HydrophobicContact CB-CG2 4.08Å; D192-V195 PolarHBondContact O-N 2.97Å; D192-V195 WeakPolarHBondContact OD1-CG2 3.4Å; D192-V195 PolarHBondContact OD1-N 3.23Å; D192-R196 VanDerWaalsContact O-CG 3.32Å; D192-R196 WeakPolarHBondContact O-CG 3.36Å; D192-R196 PolarHBondContact O-N 2.82Å
193E93.2Very high95.6Very high41 Ų4119.8 Ų19.819%0.19211%0.108CC..Hα-helixtrans-61.5-35.2-174.4-168.2179.6178.300113.3E13 R94 P191 K197 K227E13-E193 PolarHBondContact OE1-N 3.47Å; E13-E193 VanDerWaalsContact OE1-N 3.1Å; R94-E193 IonicContact CZ-OE2 3.25Å; R94-E193 IonicContact NE-OE2 3.4Å; R94-E193 VanDerWaalsContact NH2-CB 3.29Å; R94-E193 IonicContact NH2-OE2 2.75Å; R94-E193 PolarHBondContact NH2-OE2 3.11Å; P191-E193 PolarHBondContact O-N 3.03Å; E193-K197 WeakPolarHBondContact O-CB 2.9Å; E193-K197 PolarHBondContact O-N 2.81Å; E193-K227 IonicContact OE1-NZ 3.84Å; E193-K227 PolarHBondContact OE1-NZ 3.33Å; E193-K227 IonicContact OE2-NZ 3.04Å; E193-K227 PolarHBondContact OE2-NZ 2.77Å
194T94.7Very high95.6Very high34 Ų3423.7 Ų23.721%0.20913%0.132CC..Hα-helixtrans-69.1-44.1179.2-57.10000110.6R94 Y168 D192 K197 A198R94-T194 WeakPolarHBondContact CD-OG1 3.32Å; Y168-T194 HydrophobicContact CD1-CG2 3.76Å; Y168-T194 HydrophobicContact CD2-CG2 4.47Å; Y168-T194 HydrophobicContact CE1-CG2 3.95Å; Y168-T194 HydrophobicContact CG-CG2 4.04Å; D192-T194 VanDerWaalsContact C-N 3.32Å; D192-T194 PolarHBondContact O-N 3.45Å; D192-T194 WeakPolarHBondContact OD1-CA 3.41Å; D192-T194 VanDerWaalsContact OD1-CB 3.26Å; D192-T194 WeakPolarHBondContact OD1-CB 3.36Å; D192-T194 PolarHBondContact OD1-N 3.5Å; T194-K197 PolarHBondContact O-N 3.4Å; T194-A198 PolarHBondContact O-N 3.37Å
195V96.3Very high95.5Very high1 Ų130.8 Ų30.81%0.00617%0.165CC..Hα-helixtrans-62.6-47.3176.1175.70000111L153 W159 V171 L185 F190 D192 K197 A198 A199L153-V195 HydrophobicContact CD1-CG1 3.84Å; L153-V195 HydrophobicContact CD1-CG2 4.03Å; W159-V195 HydrophobicContact CH2-CG2 3.78Å; W159-V195 HydrophobicContact CZ3-CG2 4.02Å; V171-V195 HydrophobicContact CG2-CG2 4.15Å; L185-V195 HydrophobicContact CB-CG1 4.27Å; L185-V195 HydrophobicContact CD2-CG1 3.72Å; L185-V195 HydrophobicContact CG-CG1 4.4Å; F190-V195 HydrophobicContact CB-CG1 4.13Å; F190-V195 HydrophobicContact CD1-CG1 4.38Å; F190-V195 HydrophobicContact CG-CG1 4.44Å; D192-V195 HydrophobicContact CB-CB 4.28Å; D192-V195 HydrophobicContact CB-CG2 4.08Å; D192-V195 PolarHBondContact O-N 2.97Å; D192-V195 WeakPolarHBondContact OD1-CG2 3.4Å; D192-V195 PolarHBondContact OD1-N 3.23Å; V195-K197 VanDerWaalsContact C-N 3.31Å; V195-K197 PolarHBondContact O-N 3.21Å; V195-A198 PolarHBondContact O-N 2.92Å; V195-A199 PolarHBondContact O-N 3.48Å
196R96.6Very high95.5Very high1 Ų131.5 Ų31.50%0.00417%0.169CC..Hα-helixtrans-63.6-38.5178-66.1-173.577.475.22.2111.7L186 T187 F190 D192 A199 V200 A221L186-R196 HydrophobicContact CD2-CB 4.44Å; L186-R196 PolarHBondContact O-NH1 3.24Å; L186-R196 PolarHBondContact O-NH2 2.96Å; T187-R196 PolarHBondContact O-NH1 3.49Å; F190-R196 WeakPolarHBondContact O-CD 3.41Å; F190-R196 VanDerWaalsContact O-CG 3.26Å; F190-R196 WeakPolarHBondContact O-CG 3.31Å; F190-R196 PolarHBondContact O-NH1 3.14Å; F190-R196 VanDerWaalsContact O-NH1 3.07Å; D192-R196 VanDerWaalsContact O-CG 3.32Å; D192-R196 WeakPolarHBondContact O-CG 3.36Å; D192-R196 PolarHBondContact O-N 2.82Å; R196-A199 WeakPolarHBondContact O-CB 3.43Å; R196-A199 PolarHBondContact O-N 2.88Å; R196-V200 WeakPolarHBondContact O-CG2 3.31Å; R196-V200 PolarHBondContact O-N 2.87Å; R196-A221 PolarHBondContact NH2-O 3.07Å; R196-A221 VanDerWaalsContact NH2-O 3.1Å
197K96.6Very high95.4Very high112 Ų11235.2 Ų35.249%0.48719%0.193SC..Hα-helixtrans-59.9-45.9174.6-179.3-179.6174.5115.50111.6E193 T194 V195 A199 V200 D201 P231E193-K197 WeakPolarHBondContact O-CB 2.9Å; E193-K197 PolarHBondContact O-N 2.81Å; T194-K197 PolarHBondContact O-N 3.4Å; V195-K197 VanDerWaalsContact C-N 3.31Å; V195-K197 PolarHBondContact O-N 3.21Å; K197-A199 VanDerWaalsContact C-N 3.25Å; K197-A199 PolarHBondContact O-N 3.43Å; K197-V200 CarbonylContact O-C 3.56Å; K197-V200 PolarHBondContact O-N 2.63Å; K197-D201 VanDerWaalsContact O-CG 3.26Å; K197-D201 PolarHBondContact O-N 3.36Å; K197-P231 HydrophobicContact CB-CB 4.47Å; K197-P231 HydrophobicContact CB-CG 4.09Å; K197-P231 HydrophobicContact CG-CG 4.48Å
198A96.6Very high95.5Very high22 Ų2237.4 Ų37.418%0.18220%0.204CC..Hα-helixtrans-57.6-40176.600000112V171 I176 T194 V195 D201 Y202V171-A198 HydrophobicContact CG1-CB 3.61Å; I176-A198 HydrophobicContact CD1-CB 4.27Å; T194-A198 PolarHBondContact O-N 3.37Å; V195-A198 PolarHBondContact O-N 2.92Å; A198-D201 PolarHBondContact O-N 3.2Å; A198-Y202 PolarHBondContact O-N 2.95Å
199A97.8Very high95.6Very high0 Ų039 Ų390%022%0.224CC..Hα-helixtrans-65.6-40.817400000113A182 L185 L186 V195 R196 K197 Y202 F203A182-A199 HydrophobicContact CB-CB 4.29Å; A182-A199 WeakPolarHBondContact O-CB 3.1Å; L185-A199 HydrophobicContact CB-CB 3.71Å; L185-A199 HydrophobicContact CD1-CB 4.39Å; L186-A199 HydrophobicContact CD2-CB 4.01Å; L186-A199 HydrophobicContact CG-CB 3.97Å; V195-A199 PolarHBondContact O-N 3.48Å; R196-A199 WeakPolarHBondContact O-CB 3.43Å; R196-A199 PolarHBondContact O-N 2.88Å; K197-A199 VanDerWaalsContact C-N 3.25Å; K197-A199 PolarHBondContact O-N 3.43Å; A199-Y202 WeakPolarHBondContact O-CB 3.38Å; A199-Y202 PolarHBondContact O-N 2.75Å; A199-F203 WeakPolarHBondContact O-CD2 3.47Å
200V98.2Very high95.8Very high4 Ų439.9 Ų39.92%0.02422%0.224CC..Hα-helixtrans-66.8-37.6176.5169.90000111.6L186 R196 K197 Y202 F203 V204 P231 L232 L235L186-V200 HydrophobicContact CD2-CG2 4.1Å; R196-V200 WeakPolarHBondContact O-CG2 3.31Å; R196-V200 PolarHBondContact O-N 2.87Å; K197-V200 CarbonylContact O-C 3.56Å; K197-V200 PolarHBondContact O-N 2.63Å; V200-Y202 PolarHBondContact O-N 2.9Å; V200-F203 CarbonylContact O-C 3.59Å; V200-F203 WeakPolarHBondContact O-CA 3.3Å; V200-F203 PolarHBondContact O-N 3.15Å; V200-V204 HydrophobicContact CG1-CG2 4.3Å; V200-V204 WeakPolarHBondContact O-CG2 3.36Å; V200-V204 PolarHBondContact O-N 2.98Å; V200-P231 HydrophobicContact CB-CB 4.06Å; V200-P231 HydrophobicContact CG1-CB 4.01Å; V200-P231 HydrophobicContact CG2-CB 4.01Å; V200-L232 HydrophobicContact CG2-CB 3.95Å; V200-L232 HydrophobicContact CG2-CD1 4.25Å; V200-L235 HydrophobicContact CG1-CB 3.92Å; V200-L235 HydrophobicContact CG1-CD2 3.94Å; V200-L235 HydrophobicContact CG1-CG 4.49Å
201D97.4Very high95.9Very high67 Ų6739.6 Ų39.636%0.35822%0.222SC..Hα-helixtrans-60.8-28.6178.4-70.5-21.9000111.9K197 A198 Q205K197-D201 VanDerWaalsContact O-CG 3.26Å; K197-D201 PolarHBondContact O-N 3.36Å; A198-D201 PolarHBondContact O-N 3.2Å; D201-Q205 WeakPolarHBondContact O-CG 3.47Å; D201-Q205 PolarHBondContact O-NE2 2.81Å
202Y97.3Very high96.1Very high22 Ų2238.5 Ų38.59%0.08621%0.213CC..Hα-helixtrans-62.8-51.1167.8170.6-95.3000111.5I176 H177 P179 A182 A198 A199 V200 V204 Q205 I206I176-Y202 HydrophobicContact CG2-CD2 4.05Å; I176-Y202 HydrophobicContact CG2-CG 4.07Å; I176-Y202 WeakPolarHBondContact O-CD2 3.45Å; H177-Y202 VanDerWaalsContact C-CE2 3.48Å; H177-Y202 WeakPolarHBondContact O-CE2 3.38Å; P179-Y202 VanDerWaalsContact CA-CE1 3.48Å; P179-Y202 HydrophobicContact CB-CE1 3.82Å; P179-Y202 WeakPolarHBondContact CD-OH 3.06Å; A182-Y202 HydrophobicContact CB-CD1 3.58Å; A182-Y202 HydrophobicContact CB-CE1 4.39Å; A182-Y202 HydrophobicContact CB-CG 3.98Å; A198-Y202 PolarHBondContact O-N 2.95Å; A199-Y202 WeakPolarHBondContact O-CB 3.38Å; A199-Y202 PolarHBondContact O-N 2.75Å; V200-Y202 PolarHBondContact O-N 2.9Å; Y202-V204 VanDerWaalsContact C-N 3.26Å; Y202-V204 PolarHBondContact O-N 3.32Å; Y202-Q205 WeakPolarHBondContact O-CB 3.16Å; Y202-Q205 PolarHBondContact O-N 3.41Å; Y202-I206 HydrophobicContact CD1-CG2 4.41Å; Y202-I206 HydrophobicContact CE1-CD1 4.48Å; Y202-I206 HydrophobicContact CE1-CG2 3.82Å; Y202-I206 HydrophobicContact CE2-CG2 4.09Å; Y202-I206 PolarHBondContact O-N 3.24Å
203F97.8Very high96.1Very high0 Ų039.7 Ų39.70%022%0.219CC..Hα-helixtrans-67.5-24.4-179.2-70.7-71.1000113.7A182 L183 L186 A199 V200 Q205 I206 L211 F214 L218 L235 R239A182-F203 HydrophobicContact CB-CD2 4.18Å; A182-F203 HydrophobicContact CB-CE2 3.53Å; A182-F203 HydrophobicContact CB-CZ 4.01Å; L183-F203 HydrophobicContact CD2-CE2 4.41Å; L183-F203 HydrophobicContact CD2-CZ 3.71Å; L183-F203 HydrophobicContact CG-CZ 3.96Å; L186-F203 HydrophobicContact CD1-CD2 4.17Å; L186-F203 HydrophobicContact CD1-CE2 3.71Å; A199-F203 WeakPolarHBondContact O-CD2 3.47Å; V200-F203 CarbonylContact O-C 3.59Å; V200-F203 WeakPolarHBondContact O-CA 3.3Å; V200-F203 PolarHBondContact O-N 3.15Å; F203-Q205 PolarHBondContact O-N 3.35Å; F203-I206 HydrophobicContact CD1-CD1 3.63Å; F203-I206 HydrophobicContact CD1-CG1 4.41Å; F203-I206 HydrophobicContact CE1-CD1 4.17Å; F203-L211 HydrophobicContact CB-CD1 4.08Å; F203-L211 HydrophobicContact CD1-CD1 3.77Å; F203-L211 HydrophobicContact CG-CD1 4.26Å; F203-F214 HydrophobicContact CE1-CB 4.18Å; F203-F214 AromaticContact CE1-CD2 3.95Å; F203-F214 HydrophobicContact CE1-CD2 3.95Å; F203-F214 HydrophobicContact CE1-CG 4.21Å; F203-L218 HydrophobicContact CD1-CD1 4.35Å; F203-L218 HydrophobicContact CD2-CD2 4.09Å; F203-L218 HydrophobicContact CE1-CD2 4.39Å; F203-L218 HydrophobicContact CE2-CD2 3.82Å; F203-L218 HydrophobicContact CG-CD2 4.49Å; F203-L218 HydrophobicContact CZ-CD2 3.99Å; F203-L235 HydrophobicContact CB-CD2 3.5Å; F203-L235 VanDerWaalsContact CB-CD2 3.5Å; F203-R239 PolarHBondContact O-NH1 3.12Å
204V97.2Very high96.3Very high81 Ų8137.8 Ų37.849%0.49121%0.21SC..Hα-helixtrans-60.2-35.6169.6171.70000111V200 Y202 L235V200-V204 HydrophobicContact CG1-CG2 4.3Å; V200-V204 WeakPolarHBondContact O-CG2 3.36Å; V200-V204 PolarHBondContact O-N 2.98Å; Y202-V204 VanDerWaalsContact C-N 3.26Å; Y202-V204 PolarHBondContact O-N 3.32Å; V204-L235 HydrophobicContact CB-CD1 4.5Å; V204-L235 HydrophobicContact CG2-CD1 3.83Å
205Q95.6Very high96.3Very high151 Ų15136.1 Ų36.171%0.70620%0.2SC*.Hα-helixtrans-84.3-24.4-173.6-66.1170.269.700113.8D201 Y202 F203D201-Q205 WeakPolarHBondContact O-CG 3.47Å; D201-Q205 PolarHBondContact O-NE2 2.81Å; Y202-Q205 WeakPolarHBondContact O-CB 3.16Å; Y202-Q205 PolarHBondContact O-N 3.41Å; F203-Q205 PolarHBondContact O-N 3.35Å
206I95.9Very high96.2Very high15 Ų1537.4 Ų37.48%0.07721%0.209CC..SBendtrans-79.9150.7-175.872.6174.1000112.9Y202 F203 E210 L211 F214 R239Y202-I206 HydrophobicContact CD1-CG2 4.41Å; Y202-I206 HydrophobicContact CE1-CD1 4.48Å; Y202-I206 HydrophobicContact CE1-CG2 3.82Å; Y202-I206 HydrophobicContact CE2-CG2 4.09Å; Y202-I206 PolarHBondContact O-N 3.24Å; F203-I206 HydrophobicContact CD1-CD1 3.63Å; F203-I206 HydrophobicContact CD1-CG1 4.41Å; F203-I206 HydrophobicContact CE1-CD1 4.17Å; I206-E210 HydrophobicContact CD1-CB 4.09Å; I206-L211 HydrophobicContact CD1-CB 4.21Å; I206-L211 HydrophobicContact CD1-CD1 4.31Å; I206-L211 HydrophobicContact CG1-CB 4.31Å; I206-F214 HydrophobicContact CD1-CD2 4.43Å; I206-R239 PolarHBondContact O-NH1 2.86Å; I206-R239 PolarHBondContact O-NH2 3.19Å
207P96.4Very high96.2Very high77 Ų7737.4 Ų37.450%0.521%0.209SC..  trans-60.8155.5175.9-22.133.3000113.8G209 E210 L211 R239P207-G209 VanDerWaalsContact C-N 3.29Å; P207-G209 PolarHBondContact O-N 3.16Å; P207-E210 PolarHBondContact O-N 2.98Å; P207-E210 VanDerWaalsContact O-N 3.13Å; P207-L211 PolarHBondContact O-N 3.13Å; P207-R239 VanDerWaalsContact C-NH2 3.29Å
208D96Very high96.2Very high47 Ų4732 Ų3225%0.25119%0.185SC..Hα-helixtrans-56.4-40.8179.1-74.4-14.6000113.1E210 L211 E212 R239 N243 I246D208-E210 VanDerWaalsContact C-N 3.28Å; D208-E210 PolarHBondContact O-N 3.19Å; D208-L211 PolarHBondContact O-N 3.41Å; D208-E212 WeakPolarHBondContact O-CG 3.32Å; D208-E212 PolarHBondContact O-N 2.98Å; D208-R239 VanDerWaalsContact CA-NH2 3.31Å; D208-R239 VanDerWaalsContact N-NH2 3.15Å; D208-R239 IonicContact OD1-CZ 3.81Å; D208-R239 IonicContact OD1-NE 2.65Å; D208-R239 PolarHBondContact OD1-NE 3.03Å; D208-R239 IonicContact OD1-NH2 3.96Å; D208-R239 PolarHBondContact OD1-NH2 3.42Å; D208-N243 WeakPolarHBondContact CB-ND2 3.39Å; D208-N243 WeakPolarHBondContact OD2-CB 3.45Å; D208-N243 PolarHBondContact OD2-ND2 3.15Å; D208-I246 HydrophobicContact CB-CD1 3.77Å; D208-I246 WeakPolarHBondContact OD1-CD1 3.44Å
209G92.7Very high96.2Very high49 Ų4931.1 Ų31.151%0.50518%0.177SC..Hα-helixtrans-63.6-32.3179.800000113.5P207P207-G209 VanDerWaalsContact C-N 3.29Å; P207-G209 PolarHBondContact O-N 3.16Å
210E95.1Very high95.9Very high55 Ų5532.1 Ų32.126%0.25718%0.182SC..Hα-helixtrans-79-39.5174.2-69.8179.6-134.400111.2I206 P207 D208 E212 L213 F214I206-E210 HydrophobicContact CD1-CB 4.09Å; P207-E210 PolarHBondContact O-N 2.98Å; P207-E210 VanDerWaalsContact O-N 3.13Å; D208-E210 VanDerWaalsContact C-N 3.28Å; D208-E210 PolarHBondContact O-N 3.19Å; E210-E212 VanDerWaalsContact C-N 3.27Å; E210-E212 PolarHBondContact O-N 3.41Å; E210-L213 WeakPolarHBondContact O-CB 3.28Å; E210-L213 PolarHBondContact O-N 2.91Å; E210-F214 VanDerWaalsContact O-CD2 3.26Å; E210-F214 WeakPolarHBondContact O-CD2 3.25Å
211L96.6Very high95.8Very high0 Ų032 Ų320%018%0.181CC..Hα-helixtrans-58.5-39.7175.7-174.567.3000112F203 I206 P207 D208 L213 F214 L215 L218 R239 I246F203-L211 HydrophobicContact CB-CD1 4.08Å; F203-L211 HydrophobicContact CD1-CD1 3.77Å; F203-L211 HydrophobicContact CG-CD1 4.26Å; I206-L211 HydrophobicContact CD1-CB 4.21Å; I206-L211 HydrophobicContact CD1-CD1 4.31Å; I206-L211 HydrophobicContact CG1-CB 4.31Å; P207-L211 PolarHBondContact O-N 3.13Å; D208-L211 PolarHBondContact O-N 3.41Å; L211-L213 PolarHBondContact O-N 2.66Å; L211-F214 PolarHBondContact O-N 3.01Å; L211-L215 HydrophobicContact CG-CD2 4.49Å; L211-L215 PolarHBondContact O-N 3.14Å; L211-L218 HydrophobicContact CD1-CD1 3.45Å; L211-L218 VanDerWaalsContact CD1-CD1 3.45Å; L211-L218 HydrophobicContact CG-CD1 4.41Å; L211-R239 HydrophobicContact CD2-CB 4.15Å; L211-R239 HydrophobicContact CD2-CG 3.81Å; L211-I246 HydrophobicContact CD2-CD1 4.12Å
212E94.7Very high95.7Very high25 Ų2528.8 Ų28.812%0.11716%0.164CC..Hα-helixtrans-54.1-34.7175.3-79.2-173-152.400113D208 E210 F214 L215 R245 I246 Q249D208-E212 WeakPolarHBondContact O-CG 3.32Å; D208-E212 PolarHBondContact O-N 2.98Å; E210-E212 VanDerWaalsContact C-N 3.27Å; E210-E212 PolarHBondContact O-N 3.41Å; E212-F214 PolarHBondContact O-N 3.22Å; E212-L215 HydrophobicContact CG-CD1 4.28Å; E212-L215 PolarHBondContact O-N 3.22Å; E212-R245 VanDerWaalsContact CD-NE 3.28Å; E212-R245 WeakPolarHBondContact OE1-CD 3.29Å; E212-R245 VanDerWaalsContact OE1-CG 3.29Å; E212-R245 WeakPolarHBondContact OE1-CG 3.13Å; E212-R245 IonicContact OE1-CZ 3.6Å; E212-R245 IonicContact OE1-NE 3.15Å; E212-R245 PolarHBondContact OE1-NE 3.44Å; E212-R245 IonicContact OE2-CZ 2.78Å; E212-R245 IonicContact OE2-NE 3.79Å; E212-R245 PolarHBondContact OE2-NE 2.84Å; E212-R245 IonicContact OE2-NH2 3.95Å; E212-R245 PolarHBondContact OE2-NH2 3.23Å; E212-I246 HydrophobicContact CG-CG1 4.17Å; E212-Q249 PolarHBondContact OE2-NE2 2.94Å
213L95.6Very high95.5Very high30 Ų3028 Ų2816%0.15716%0.161CC..THydrogen-bonded Turntrans-65.4-20.2179.1-64175.2000112.8E210 L211 Q392 R395 V396 W399E210-L213 WeakPolarHBondContact O-CB 3.28Å; E210-L213 PolarHBondContact O-N 2.91Å; L211-L213 PolarHBondContact O-N 2.66Å; L213-Q392 PolarHBondContact O-NE2 3Å; L213-R395 HydrophobicContact CD2-CB 4.07Å; L213-V396 HydrophobicContact CB-CG2 4.09Å; L213-W399 HydrophobicContact CD1-CB 3.97Å; L213-W399 HydrophobicContact CD1-CD2 4.09Å; L213-W399 HydrophobicContact CD1-CG 3.75Å
214F96.9Very high95.3Very high0 Ų028.6 Ų28.60%017%0.165CC..THydrogen-bonded Turntrans-114.5-3.6-175.6-54.8-63.7000113.8P179 L183 F203 I206 E210 L211 E212 Q217 L218 V396 L570 M574P179-F214 HydrophobicContact CB-CE1 4.34Å; P179-F214 HydrophobicContact CB-CE2 3.91Å; P179-F214 HydrophobicContact CB-CZ 3.72Å; P179-F214 HydrophobicContact CG-CE2 4.42Å; P179-F214 HydrophobicContact CG-CZ 3.96Å; L183-F214 HydrophobicContact CD1-CD1 3.84Å; L183-F214 HydrophobicContact CD1-CE1 4.06Å; F203-F214 HydrophobicContact CE1-CB 4.18Å; F203-F214 AromaticContact CE1-CD2 3.95Å; F203-F214 HydrophobicContact CE1-CD2 3.95Å; F203-F214 HydrophobicContact CE1-CG 4.21Å; I206-F214 HydrophobicContact CD1-CD2 4.43Å; E210-F214 VanDerWaalsContact O-CD2 3.26Å; E210-F214 WeakPolarHBondContact O-CD2 3.25Å; L211-F214 PolarHBondContact O-N 3.01Å; E212-F214 PolarHBondContact O-N 3.22Å; F214-Q217 WeakPolarHBondContact O-CB 3.36Å; F214-Q217 PolarHBondContact O-N 3.47Å; F214-Q217 PolarHBondContact O-OE1 3.44Å; F214-L218 HydrophobicContact CB-CG 4.45Å; F214-L218 WeakPolarHBondContact O-CG 3.35Å; F214-L218 PolarHBondContact O-N 3.37Å; F214-V396 HydrophobicContact CE1-CG2 4.32Å; F214-L570 HydrophobicContact CE1-CD1 3.9Å; F214-L570 HydrophobicContact CZ-CD1 4.26Å; F214-M574 HydrophobicContact CE1-SD 4.32Å
215L95.9Very high95Very high0 Ų024.8 Ų24.80%014%0.142CC..Hα-helixtrans-50.7-46-177.3-80.7177.9000114.1L211 E212 Q217 L218 V219 L236 I246 Q249 L253L211-L215 HydrophobicContact CG-CD2 4.49Å; L211-L215 PolarHBondContact O-N 3.14Å; E212-L215 HydrophobicContact CG-CD1 4.28Å; E212-L215 PolarHBondContact O-N 3.22Å; L215-Q217 VanDerWaalsContact C-N 3.34Å; L215-Q217 PolarHBondContact O-N 3.08Å; L215-L218 PolarHBondContact O-N 2.99Å; L215-V219 WeakPolarHBondContact O-CG2 3.38Å; L215-V219 PolarHBondContact O-N 3.13Å; L215-L236 HydrophobicContact CD2-CD2 3.68Å; L215-I246 HydrophobicContact CD1-CG2 4.31Å; L215-I246 HydrophobicContact CD2-CG2 4.39Å; L215-Q249 HydrophobicContact CD1-CB 4.09Å; L215-L253 HydrophobicContact CB-CD1 3.88Å
216P94.3Very high94.9Very high28 Ų2818.2 Ų18.218%0.18211%0.111CC..Hα-helixtrans-54.1-43.3174.1-29.834.9000114.6V219 Q220 L253 Q392P216-V219 PolarHBondContact O-N 3.25Å; P216-Q220 PolarHBondContact O-N 3.24Å; P216-Q220 VanDerWaalsContact O-N 3.17Å; P216-L253 HydrophobicContact CB-CD2 4.31Å; P216-L253 HydrophobicContact CG-CD1 4.16Å; P216-L253 HydrophobicContact CG-CD2 4.04Å; P216-Q392 VanDerWaalsContact CD-NE2 3.27Å; P216-Q392 VanDerWaalsContact CG-NE2 3.32Å
217Q95.4Very high94.7Very high0 Ų019.1 Ų19.10%011%0.114CC..Hα-helixtrans-68.2-41.7176.8-75.871.230.800111.3L183 F214 L215 V219 Q220 A221 M574 L577L183-Q217 HydrophobicContact CD2-CB 4.01Å; F214-Q217 WeakPolarHBondContact O-CB 3.36Å; F214-Q217 PolarHBondContact O-N 3.47Å; F214-Q217 PolarHBondContact O-OE1 3.44Å; L215-Q217 VanDerWaalsContact C-N 3.34Å; L215-Q217 PolarHBondContact O-N 3.08Å; Q217-V219 VanDerWaalsContact C-N 3.3Å; Q217-V219 PolarHBondContact O-N 2.93Å; Q217-Q220 PolarHBondContact O-N 3.39Å; Q217-Q220 VanDerWaalsContact O-N 3.15Å; Q217-A221 PolarHBondContact O-N 3.04Å; Q217-M574 HydrophobicContact CG-CB 4.2Å; Q217-M574 HydrophobicContact CG-CG 4.36Å; Q217-L577 HydrophobicContact CB-CB 4.24Å; Q217-L577 HydrophobicContact CB-CD1 3.71Å; Q217-L577 HydrophobicContact CG-CB 4.15Å; Q217-L577 HydrophobicContact CG-CD1 4.12Å
218L97.1Very high94.4Very high0 Ų018.9 Ų18.90%011%0.109CC..Hα-helixtrans-62.9-38.5177.6-63.2-178.4000111.3L183 L186 F203 L211 F214 L215 Q220 A221 L222 L232 L236L183-L218 HydrophobicContact CD2-CD2 4.49Å; L186-L218 HydrophobicContact CD1-CD2 3.55Å; F203-L218 HydrophobicContact CD1-CD1 4.35Å; F203-L218 HydrophobicContact CD2-CD2 4.09Å; F203-L218 HydrophobicContact CE1-CD2 4.39Å; F203-L218 HydrophobicContact CE2-CD2 3.82Å; F203-L218 HydrophobicContact CG-CD2 4.49Å; F203-L218 HydrophobicContact CZ-CD2 3.99Å; L211-L218 HydrophobicContact CD1-CD1 3.45Å; L211-L218 VanDerWaalsContact CD1-CD1 3.45Å; L211-L218 HydrophobicContact CG-CD1 4.41Å; F214-L218 HydrophobicContact CB-CG 4.45Å; F214-L218 WeakPolarHBondContact O-CG 3.35Å; F214-L218 PolarHBondContact O-N 3.37Å; L215-L218 PolarHBondContact O-N 2.99Å; L218-Q220 PolarHBondContact O-N 3.13Å; L218-A221 WeakPolarHBondContact O-CB 3.34Å; L218-A221 PolarHBondContact O-N 3.08Å; L218-L222 PolarHBondContact O-N 3.3Å; L218-L232 HydrophobicContact CB-CD1 4.24Å; L218-L232 HydrophobicContact CD2-CD1 3.98Å; L218-L232 HydrophobicContact CG-CD1 4.47Å; L218-L232 WeakPolarHBondContact O-CD2 3.41Å; L218-L236 HydrophobicContact CB-CD2 4.32Å; L218-L236 HydrophobicContact CD1-CD2 4.19Å
219V95.5Very high94.2Very high2 Ų222.2 Ų22.21%0.01213%0.127CC..Hα-helixtrans-63.7-39.3173.5171.60000111.6L215 P216 Q217 L222 L250 L253 L254 T257L215-V219 WeakPolarHBondContact O-CG2 3.38Å; L215-V219 PolarHBondContact O-N 3.13Å; P216-V219 PolarHBondContact O-N 3.25Å; Q217-V219 VanDerWaalsContact C-N 3.3Å; Q217-V219 PolarHBondContact O-N 2.93Å; V219-L222 WeakPolarHBondContact O-CB 3.22Å; V219-L222 PolarHBondContact O-N 3.48Å; V219-L250 HydrophobicContact CG2-CD1 3.47Å; V219-L250 VanDerWaalsContact CG2-CD1 3.47Å; V219-L253 HydrophobicContact CB-CB 4.49Å; V219-L253 HydrophobicContact CG1-CB 4.35Å; V219-L253 HydrophobicContact CG2-CB 3.96Å; V219-L253 HydrophobicContact CG2-CD1 4.02Å; V219-L254 HydrophobicContact CG1-CD2 4.17Å; V219-T257 HydrophobicContact CG1-CG2 4.3Å
220Q93.2Very high94.3Very high22 Ų2220 Ų2010%0.10310%0.103CC..Hα-helixtrans-66.4-38.3172.6-64.6-49.3-55.300112.3P216 Q217 L218 L222 K223 L578 A581P216-Q220 PolarHBondContact O-N 3.24Å; P216-Q220 VanDerWaalsContact O-N 3.17Å; Q217-Q220 PolarHBondContact O-N 3.39Å; Q217-Q220 VanDerWaalsContact O-N 3.15Å; L218-Q220 PolarHBondContact O-N 3.13Å; Q220-L222 PolarHBondContact O-N 2.89Å; Q220-K223 VanDerWaalsContact O-CB 3.27Å; Q220-K223 WeakPolarHBondContact O-CB 3.5Å; Q220-K223 WeakPolarHBondContact O-CG 3.44Å; Q220-K223 PolarHBondContact O-N 2.84Å; Q220-L578 HydrophobicContact CG-CD2 3.65Å; Q220-L578 HydrophobicContact CG-CG 4.48Å; Q220-A581 HydrophobicContact CG-CB 4.39Å
221A95.5Very high94.3Very high1 Ų118.6 Ų18.61%0.00810%0.099CC..Hα-helixtrans-63.5-20.5178.100000113.5L186 R196 Q217 L218 K223 S224 L232 L577L186-A221 HydrophobicContact CB-CB 3.93Å; L186-A221 HydrophobicContact CD1-CB 4.5Å; R196-A221 PolarHBondContact NH2-O 3.07Å; R196-A221 VanDerWaalsContact NH2-O 3.1Å; Q217-A221 PolarHBondContact O-N 3.04Å; L218-A221 WeakPolarHBondContact O-CB 3.34Å; L218-A221 PolarHBondContact O-N 3.08Å; A221-K223 PolarHBondContact O-N 3.36Å; A221-S224 PolarHBondContact O-N 2.98Å; A221-L232 HydrophobicContact CB-CD2 3.56Å; A221-L577 HydrophobicContact CB-CD2 4.1Å
222L95.3Very high94.4Very high0 Ų018.6 Ų18.60%010%0.099CC..G310 helixtrans-59.4-26.1171-64.7173.1000113L218 V219 Q220 S224 E225 L232 V233 L236 L254 W266 L267 V270L218-L222 PolarHBondContact O-N 3.3Å; V219-L222 WeakPolarHBondContact O-CB 3.22Å; V219-L222 PolarHBondContact O-N 3.48Å; Q220-L222 PolarHBondContact O-N 2.89Å; L222-S224 PolarHBondContact O-N 3.38Å; L222-E225 PolarHBondContact O-N 2.99Å; L222-L232 HydrophobicContact CD2-CB 4.44Å; L222-L232 HydrophobicContact CD2-CD2 4.1Å; L222-L232 HydrophobicContact CD2-CG 3.97Å; L222-L232 HydrophobicContact CG-CD2 4.43Å; L222-V233 HydrophobicContact CD2-CB 4.48Å; L222-V233 HydrophobicContact CD2-CG2 3.79Å; L222-L236 HydrophobicContact CD1-CD1 4.01Å; L222-L236 HydrophobicContact CD2-CD1 4.01Å; L222-L236 HydrophobicContact CG-CD1 4.19Å; L222-L254 HydrophobicContact CD1-CD2 4.26Å; L222-W266 PolarHBondContact O-NE1 3.27Å; L222-L267 HydrophobicContact CB-CD2 3.91Å; L222-L267 HydrophobicContact CD1-CD2 4.22Å; L222-V270 HydrophobicContact CD1-CG1 4.24Å
223K92.9Very high94.5Very high5 Ų517.6 Ų17.62%0.02210%0.095CC..G310 helixtrans-65.9-20.5175.7-63.3173.6169.11790112.3S65 Q220 A221 D260 F263 L267 S580S65-K223 VanDerWaalsContact CB-O 3.25Å; S65-K223 WeakPolarHBondContact CB-O 3.37Å; S65-K223 PolarHBondContact OG-O 3.15Å; Q220-K223 VanDerWaalsContact O-CB 3.27Å; Q220-K223 WeakPolarHBondContact O-CB 3.5Å; Q220-K223 WeakPolarHBondContact O-CG 3.44Å; Q220-K223 PolarHBondContact O-N 2.84Å; A221-K223 PolarHBondContact O-N 3.36Å; K223-D260 WeakPolarHBondContact CE-OD2 3.41Å; K223-D260 IonicContact NZ-OD2 3.61Å; K223-D260 PolarHBondContact NZ-OD2 3.37Å; K223-F263 HydrophobicContact CB-CD1 4.05Å; K223-F263 HydrophobicContact CB-CD2 4.31Å; K223-F263 HydrophobicContact CB-CE1 4.03Å; K223-F263 HydrophobicContact CB-CE2 4.32Å; K223-F263 HydrophobicContact CB-CG 4.18Å; K223-F263 HydrophobicContact CB-CZ 4.18Å; K223-F263 HydrophobicContact CD-CD2 3.66Å; K223-F263 HydrophobicContact CD-CE2 3.96Å; K223-F263 HydrophobicContact CD-CG 4.11Å; K223-F263 HydrophobicContact CG-CB 4.14Å; K223-F263 HydrophobicContact CG-CD1 4.15Å; K223-F263 HydrophobicContact CG-CD2 3.87Å; K223-F263 HydrophobicContact CG-CE2 4.31Å; K223-F263 HydrophobicContact CG-CG 3.79Å; K223-L267 HydrophobicContact CG-CD1 4.46Å; K223-S580 PolarHBondContact NZ-O 3.17Å
224S92.7Very high94.6Very high12 Ų1219.9 Ų19.98%0.08411%0.11CC..G310 helixtrans-104.63179.8-60.30000113.3P188 A221 L222P188-S224 WeakPolarHBondContact CG-OG 3.39Å; A221-S224 PolarHBondContact O-N 2.98Å; L222-S224 PolarHBondContact O-N 3.38Å
225E92.3Very high94.6Very high2 Ų220.3 Ų20.31%0.00911%0.112CC..  trans-64.6139.3173.7-89.1-69.5-179.800111.5L222 L232 V233 W266L222-E225 PolarHBondContact O-N 2.99Å; E225-L232 HydrophobicContact CG-CB 4.14Å; E225-L232 WeakPolarHBondContact OE1-CB 3.35Å; E225-L232 PolarHBondContact OE1-N 2.8Å; E225-V233 HydrophobicContact CG-CG2 4.16Å; E225-W266 HydrophobicContact CB-CZ2 4.28Å
226W91.9Very high94.7Very high13 Ų1320.3 Ų20.35%0.04911%0.112CC..SBendtrans-82.7-31.3-178.5-163.7-90.1000112Y12 E13 M15 P38 P66Y12-W226 AromaticContact CD1-CD1 3.89Å; Y12-W226 AromaticContact CD1-NE1 3.72Å; Y12-W226 AromaticContact CE1-CD1 3.25Å; Y12-W226 HydrophobicContact CE1-CG 4.22Å; Y12-W226 AromaticContact CE1-NE1 3.28Å; Y12-W226 VanDerWaalsContact CE1-NE1 3.28Å; Y12-W226 AromaticContact CZ-CD1 3.99Å; Y12-W226 AromaticContact CZ-NE1 3.77Å; Y12-W226 WeakPolarHBondContact O-CZ2 3.26Å; E13-W226 VanDerWaalsContact CA-CZ2 3.43Å; E13-W226 VanDerWaalsContact CA-CZ3 3.48Å; E13-W226 HydrophobicContact CB-CD2 4.21Å; E13-W226 HydrophobicContact CB-CE3 3.76Å; E13-W226 HydrophobicContact CB-CH2 3.96Å; E13-W226 HydrophobicContact CB-CZ2 4.36Å; E13-W226 HydrophobicContact CB-CZ3 3.62Å; E13-W226 HydrophobicContact CG-CD2 3.81Å; E13-W226 HydrophobicContact CG-CE3 3.67Å; E13-W226 HydrophobicContact CG-CG 4.34Å; E13-W226 HydrophobicContact CG-CZ3 4.1Å; E13-W226 VanDerWaalsContact O-CH2 3.26Å; E13-W226 WeakPolarHBondContact O-CH2 3.45Å; E13-W226 WeakPolarHBondContact O-CZ3 3.33Å; M15-W226 HydrophobicContact CG-CH2 3.7Å; M15-W226 HydrophobicContact CG-CZ3 4Å; M15-W226 HydrophobicContact SD-CH2 3.47Å; M15-W226 WeakPolarHBondContact SD-CH2 3.49Å; M15-W226 HydrophobicContact SD-CZ2 4.29Å; M15-W226 HydrophobicContact SD-CZ3 3.98Å; P38-W226 HydrophobicContact CB-CH2 4.37Å; P38-W226 HydrophobicContact CB-CZ2 3.92Å; P66-W226 WeakPolarHBondContact CB-O 3.44Å; P66-W226 HydrophobicContact CG-CD2 3.51Å; P66-W226 HydrophobicContact CG-CE3 3.65Å; P66-W226 HydrophobicContact CG-CG 3.96Å; P66-W226 HydrophobicContact CG-CH2 4.08Å; P66-W226 HydrophobicContact CG-CZ2 3.99Å; P66-W226 HydrophobicContact CG-CZ3 3.93Å; P66-W226 WeakPolarHBondContact CG-O 3.5Å
227K91.8Very high94.9Very high33 Ų3320.5 Ų20.514%0.14311%0.112CC..SBendtrans-128.4152.7179.9-57.9177.8-169.5145.60110.5Y12 E193 D229 G230 W266Y12-K227 VanDerWaalsContact OH-CE 3.24Å; Y12-K227 WeakPolarHBondContact OH-CE 3.38Å; E193-K227 IonicContact OE1-NZ 3.84Å; E193-K227 PolarHBondContact OE1-NZ 3.33Å; E193-K227 IonicContact OE2-NZ 3.04Å; E193-K227 PolarHBondContact OE2-NZ 2.77Å; K227-D229 WeakPolarHBondContact CB-OD1 3.46Å; K227-D229 PolarHBondContact O-N 2.96Å; K227-G230 PolarHBondContact O-N 3.45Å; K227-W266 VanDerWaalsContact C-CH2 3.44Å; K227-W266 WeakPolarHBondContact O-CZ2 3.46Å
228L90.8Very high94.9Very high73 Ų7323.5 Ų23.538%0.38213%0.128SC..THydrogen-bonded Turntrans-68.4-29179.9-172.864.9000111.7G230 V233 W266 K269 V270L228-G230 VanDerWaalsContact C-N 3.32Å; L228-V233 WeakPolarHBondContact O-CB 3.41Å; L228-V233 WeakPolarHBondContact O-CG1 3.33Å; L228-V233 VanDerWaalsContact O-CG2 3.28Å; L228-V233 WeakPolarHBondContact O-CG2 3.43Å; L228-W266 HydrophobicContact CB-CH2 3.93Å; L228-W266 HydrophobicContact CB-CZ2 4.2Å; L228-W266 HydrophobicContact CB-CZ3 4.28Å; L228-W266 HydrophobicContact CD1-CD2 4.07Å; L228-W266 HydrophobicContact CD1-CE3 4.32Å; L228-W266 HydrophobicContact CD1-CH2 4.42Å; L228-W266 HydrophobicContact CD1-CZ2 4.12Å; L228-W266 HydrophobicContact CD1-CZ3 4.5Å; L228-W266 VanDerWaalsContact N-CH2 3.26Å; L228-K269 HydrophobicContact CD1-CB 4.08Å; L228-K269 HydrophobicContact CD2-CB 4.12Å; L228-K269 HydrophobicContact CD2-CD 4.12Å; L228-V270 HydrophobicContact CD1-CG2 4Å
229D92.2Very high94.9Very high117 Ų11724.3 Ų24.363%0.62613%0.131SC*.THydrogen-bonded Turntrans-96.825.7171.964.8-22.9000112.2K227 T234K227-D229 WeakPolarHBondContact CB-OD1 3.46Å; K227-D229 PolarHBondContact O-N 2.96Å; D229-T234 PolarHBondContact O-OG1 3.2Å
230G93.9Very high95Very high2 Ų224.7 Ų24.72%0.02113%0.133CC..  trans-60.7167.2179.200000113.8K227 L228 L232 V233 T234K227-G230 PolarHBondContact O-N 3.45Å; L228-G230 VanDerWaalsContact C-N 3.32Å; G230-L232 VanDerWaalsContact C-N 3.31Å; G230-L232 PolarHBondContact O-N 2.68Å; G230-V233 PolarHBondContact O-N 3.33Å; G230-T234 PolarHBondContact O-N 3.46Å; G230-T234 PolarHBondContact O-OG1 2.9Å; G230-T234 VanDerWaalsContact O-OG1 3.07Å
231P96.6Very high95.1Very high25 Ų2528.7 Ų28.716%0.16216%0.155CC..Hα-helixtrans-54.5-43-175.6-25.834.5000113.4K197 V200 T234 L235K197-P231 HydrophobicContact CB-CB 4.47Å; K197-P231 HydrophobicContact CB-CG 4.09Å; K197-P231 HydrophobicContact CG-CG 4.48Å; V200-P231 HydrophobicContact CB-CB 4.06Å; V200-P231 HydrophobicContact CG1-CB 4.01Å; V200-P231 HydrophobicContact CG2-CB 4.01Å; P231-T234 PolarHBondContact O-N 2.99Å; P231-L235 WeakPolarHBondContact O-CB 3.33Å; P231-L235 PolarHBondContact O-N 3.39Å
232L97.8Very high95Very high0 Ų035.5 Ų35.50%018%0.184CC..Hα-helixtrans-71-40-177.5-176.457.8000112.1V200 L218 A221 L222 E225 G230 T234 L235 L236V200-L232 HydrophobicContact CG2-CB 3.95Å; V200-L232 HydrophobicContact CG2-CD1 4.25Å; L218-L232 HydrophobicContact CB-CD1 4.24Å; L218-L232 HydrophobicContact CD2-CD1 3.98Å; L218-L232 HydrophobicContact CG-CD1 4.47Å; L218-L232 WeakPolarHBondContact O-CD2 3.41Å; A221-L232 HydrophobicContact CB-CD2 3.56Å; L222-L232 HydrophobicContact CD2-CB 4.44Å; L222-L232 HydrophobicContact CD2-CD2 4.1Å; L222-L232 HydrophobicContact CD2-CG 3.97Å; L222-L232 HydrophobicContact CG-CD2 4.43Å; E225-L232 HydrophobicContact CG-CB 4.14Å; E225-L232 WeakPolarHBondContact OE1-CB 3.35Å; E225-L232 PolarHBondContact OE1-N 2.8Å; G230-L232 VanDerWaalsContact C-N 3.31Å; G230-L232 PolarHBondContact O-N 2.68Å; L232-T234 VanDerWaalsContact C-N 3.3Å; L232-T234 PolarHBondContact O-N 3.45Å; L232-L235 HydrophobicContact CD1-CD2 4.31Å; L232-L235 PolarHBondContact O-N 2.91Å; L232-L236 HydrophobicContact CD1-CG 4.31Å; L232-L236 HydrophobicContact CG-CD1 4.41Å; L232-L236 WeakPolarHBondContact O-CG 3.37Å; L232-L236 PolarHBondContact O-N 3.2Å
233V97.1Very high95Very high5 Ų537.2 Ų37.23%0.0319%0.194CC..Hα-helixtrans-61-46.2176.5-168.30000109.8L222 E225 L228 G230 L235 L236 L237 V270L222-V233 HydrophobicContact CD2-CB 4.48Å; L222-V233 HydrophobicContact CD2-CG2 3.79Å; E225-V233 HydrophobicContact CG-CG2 4.16Å; L228-V233 WeakPolarHBondContact O-CB 3.41Å; L228-V233 WeakPolarHBondContact O-CG1 3.33Å; L228-V233 VanDerWaalsContact O-CG2 3.28Å; L228-V233 WeakPolarHBondContact O-CG2 3.43Å; G230-V233 PolarHBondContact O-N 3.33Å; V233-L235 PolarHBondContact O-N 3.4Å; V233-L236 PolarHBondContact O-N 2.97Å; V233-L237 HydrophobicContact CG1-CD1 4.03Å; V233-L237 HydrophobicContact CG1-CG 4.41Å; V233-L237 WeakPolarHBondContact O-CG 3.43Å; V233-L237 PolarHBondContact O-N 2.89Å; V233-V270 HydrophobicContact CG1-CG1 4.12Å; V233-V270 HydrophobicContact CG1-CG2 4.23Å
234T97.3Very high95.1Very high78 Ų7842.4 Ų42.448%0.47922%0.22SC..Hα-helixtrans-61.8-45.2179.4-58.90000111.5D229 G230 P231 L232 L237 D238D229-T234 PolarHBondContact O-OG1 3.2Å; G230-T234 PolarHBondContact O-N 3.46Å; G230-T234 PolarHBondContact O-OG1 2.9Å; G230-T234 VanDerWaalsContact O-OG1 3.07Å; P231-T234 PolarHBondContact O-N 2.99Å; L232-T234 VanDerWaalsContact C-N 3.3Å; L232-T234 PolarHBondContact O-N 3.45Å; T234-L237 PolarHBondContact O-N 2.88Å; T234-D238 VanDerWaalsContact O-CB 3.27Å; T234-D238 WeakPolarHBondContact O-CB 3.38Å; T234-D238 PolarHBondContact O-N 3.02Å
235L97.9Very high95.2Very high9 Ų946.8 Ų46.85%0.04724%0.235CC..Hα-helixtrans-56.4-53.1174.1169.166.9000111.3V200 F203 V204 P231 L232 V233 L237 D238 R239V200-L235 HydrophobicContact CG1-CB 3.92Å; V200-L235 HydrophobicContact CG1-CD2 3.94Å; V200-L235 HydrophobicContact CG1-CG 4.49Å; F203-L235 HydrophobicContact CB-CD2 3.5Å; F203-L235 VanDerWaalsContact CB-CD2 3.5Å; V204-L235 HydrophobicContact CB-CD1 4.5Å; V204-L235 HydrophobicContact CG2-CD1 3.83Å; P231-L235 WeakPolarHBondContact O-CB 3.33Å; P231-L235 PolarHBondContact O-N 3.39Å; L232-L235 HydrophobicContact CD1-CD2 4.31Å; L232-L235 PolarHBondContact O-N 2.91Å; V233-L235 PolarHBondContact O-N 3.4Å; L235-L237 VanDerWaalsContact C-N 3.32Å; L235-L237 PolarHBondContact O-N 2.9Å; L235-D238 PolarHBondContact O-N 2.79Å; L235-R239 HydrophobicContact CD1-CG 3.66Å; L235-R239 HydrophobicContact CG-CG 4.35Å; L235-R239 WeakPolarHBondContact O-CB 3.48Å; L235-R239 WeakPolarHBondContact O-CG 3.29Å; L235-R239 PolarHBondContact O-N 3.26Å
236L97.9Very high95.4Very high0 Ų046.7 Ų46.70%024%0.235CC..Hα-helixtrans-63-39.1-175.4-69.3-179000112.1L215 L218 L222 L232 V233 S240 L250L215-L236 HydrophobicContact CD2-CD2 3.68Å; L218-L236 HydrophobicContact CB-CD2 4.32Å; L218-L236 HydrophobicContact CD1-CD2 4.19Å; L222-L236 HydrophobicContact CD1-CD1 4.01Å; L222-L236 HydrophobicContact CD2-CD1 4.01Å; L222-L236 HydrophobicContact CG-CD1 4.19Å; L232-L236 HydrophobicContact CD1-CG 4.31Å; L232-L236 HydrophobicContact CG-CD1 4.41Å; L232-L236 WeakPolarHBondContact O-CG 3.37Å; L232-L236 PolarHBondContact O-N 3.2Å; V233-L236 PolarHBondContact O-N 2.97Å; L236-S240 VanDerWaalsContact O-CB 3.26Å; L236-S240 WeakPolarHBondContact O-CB 3.27Å; L236-S240 PolarHBondContact O-N 3.28Å; L236-S240 PolarHBondContact O-OG 2.82Å; L236-L250 HydrophobicContact CB-CD2 3.97Å; L236-L250 HydrophobicContact CD1-CD1 4.11Å
237L97.1Very high95.7Very high32 Ų3246.1 Ų46.117%0.16823%0.233CC..Hα-helixtrans-69-44.2175.8-68177.7000112.1V233 T234 L235 R239 S240 L241 A273 L274V233-L237 HydrophobicContact CG1-CD1 4.03Å; V233-L237 HydrophobicContact CG1-CG 4.41Å; V233-L237 WeakPolarHBondContact O-CG 3.43Å; V233-L237 PolarHBondContact O-N 2.89Å; T234-L237 PolarHBondContact O-N 2.88Å; L235-L237 VanDerWaalsContact C-N 3.32Å; L235-L237 PolarHBondContact O-N 2.9Å; L237-R239 PolarHBondContact O-N 2.96Å; L237-S240 PolarHBondContact O-N 3.38Å; L237-L241 WeakPolarHBondContact O-CG 3.41Å; L237-L241 PolarHBondContact O-N 2.88Å; L237-A273 HydrophobicContact CD1-CB 4.05Å; L237-A273 HydrophobicContact CD2-CB 4.37Å; L237-L274 HydrophobicContact CD2-CB 4.03Å; L237-L274 HydrophobicContact CD2-CD1 4.47Å
238D96.5Very high95.9Very high63 Ų6344.7 Ų44.734%0.33723%0.226SC..Hα-helixtrans-60.9-42.8177.117574.6000112T234 L235 L241 K242T234-D238 VanDerWaalsContact O-CB 3.27Å; T234-D238 WeakPolarHBondContact O-CB 3.38Å; T234-D238 PolarHBondContact O-N 3.02Å; L235-D238 PolarHBondContact O-N 2.79Å; D238-L241 WeakPolarHBondContact O-CB 3.48Å; D238-L241 PolarHBondContact O-N 3Å; D238-K242 WeakPolarHBondContact O-CG 3.44Å; D238-K242 PolarHBondContact O-N 2.92Å; D238-K242 VanDerWaalsContact OD1-CE 3.23Å; D238-K242 WeakPolarHBondContact OD1-CE 3.42Å; D238-K242 IonicContact OD1-NZ 3.86Å; D238-K242 PolarHBondContact OD1-NZ 2.95Å; D238-K242 IonicContact OD2-NZ 3.08Å; D238-K242 PolarHBondContact OD2-NZ 3.3Å
239R96.7Very high96.1Very high17 Ų1743.8 Ų43.86%0.06422%0.22CC..Hα-helixtrans-68.2-38.9176.6-62-66.6-78.2-94.83.6111.8F203 I206 P207 D208 L211 L235 L237 L241 K242 N243 I246F203-R239 PolarHBondContact O-NH1 3.12Å; I206-R239 PolarHBondContact O-NH1 2.86Å; I206-R239 PolarHBondContact O-NH2 3.19Å; P207-R239 VanDerWaalsContact C-NH2 3.29Å; D208-R239 VanDerWaalsContact CA-NH2 3.31Å; D208-R239 VanDerWaalsContact N-NH2 3.15Å; D208-R239 IonicContact OD1-CZ 3.81Å; D208-R239 IonicContact OD1-NE 2.65Å; D208-R239 PolarHBondContact OD1-NE 3.03Å; D208-R239 IonicContact OD1-NH2 3.96Å; D208-R239 PolarHBondContact OD1-NH2 3.42Å; L211-R239 HydrophobicContact CD2-CB 4.15Å; L211-R239 HydrophobicContact CD2-CG 3.81Å; L235-R239 HydrophobicContact CD1-CG 3.66Å; L235-R239 HydrophobicContact CG-CG 4.35Å; L235-R239 WeakPolarHBondContact O-CB 3.48Å; L235-R239 WeakPolarHBondContact O-CG 3.29Å; L235-R239 PolarHBondContact O-N 3.26Å; L237-R239 PolarHBondContact O-N 2.96Å; R239-L241 VanDerWaalsContact C-N 3.29Å; R239-L241 PolarHBondContact O-N 2.81Å; R239-K242 PolarHBondContact O-N 2.91Å; R239-K242 VanDerWaalsContact O-N 3.1Å; R239-N243 PolarHBondContact O-N 3.38Å; R239-I246 HydrophobicContact CB-CD1 4.1Å; R239-I246 HydrophobicContact CB-CG2 4.19Å
240S96.7Very high96.3Very high9 Ų938.2 Ų38.26%0.06319%0.19CC..Hα-helixtrans-62-35.3175.1-63.30000112.7L236 L237 K242 L250L236-S240 VanDerWaalsContact O-CB 3.26Å; L236-S240 WeakPolarHBondContact O-CB 3.27Å; L236-S240 PolarHBondContact O-N 3.28Å; L236-S240 PolarHBondContact O-OG 2.82Å; L237-S240 PolarHBondContact O-N 3.38Å; S240-K242 PolarHBondContact O-N 2.85Å; S240-L250 WeakPolarHBondContact OG-CD2 3.25Å
241L94.9Very high96.5Very high106 Ų10638.8 Ų38.856%0.55519%0.192SC*.Hα-helixtrans-65.8-27.9175.5-75.5172000113.1L237 D238 R239 C277L237-L241 WeakPolarHBondContact O-CG 3.41Å; L237-L241 PolarHBondContact O-N 2.88Å; D238-L241 WeakPolarHBondContact O-CB 3.48Å; D238-L241 PolarHBondContact O-N 3Å; R239-L241 VanDerWaalsContact C-N 3.29Å; R239-L241 PolarHBondContact O-N 2.81Å; L241-C277 HydrophobicContact CD2-CB 3.89Å; L241-C277 WeakPolarHBondContact CD2-O 3.43Å; L241-C277 HydrophobicContact CG-CB 4.49Å
242K94.5Very high96.4Very high144 Ų14437.9 Ų37.963%0.62619%0.185SC*.Hα-helixtrans-95.5-22.5-176.2-65.3167.5-172.7166.30112.7D238 R239 S240D238-K242 WeakPolarHBondContact O-CG 3.44Å; D238-K242 PolarHBondContact O-N 2.92Å; D238-K242 VanDerWaalsContact OD1-CE 3.23Å; D238-K242 WeakPolarHBondContact OD1-CE 3.42Å; D238-K242 IonicContact OD1-NZ 3.86Å; D238-K242 PolarHBondContact OD1-NZ 2.95Å; D238-K242 IonicContact OD2-NZ 3.08Å; D238-K242 PolarHBondContact OD2-NZ 3.3Å; R239-K242 PolarHBondContact O-N 2.91Å; R239-K242 VanDerWaalsContact O-N 3.1Å; S240-K242 PolarHBondContact O-N 2.85Å
243N95.7Very high96.3Very high37 Ų3739.1 Ų39.120%0.19819%0.192CC..  trans-139.9113-173.4-170.1-36.6000112.3D208 R239 R245 I246 A247D208-N243 WeakPolarHBondContact CB-ND2 3.39Å; D208-N243 WeakPolarHBondContact OD2-CB 3.45Å; D208-N243 PolarHBondContact OD2-ND2 3.15Å; R239-N243 PolarHBondContact O-N 3.38Å; N243-R245 PolarHBondContact O-N 2.86Å; N243-R245 WeakPolarHBondContact OD1-CA 3.25Å; N243-R245 VanDerWaalsContact OD1-CB 3.29Å; N243-R245 WeakPolarHBondContact OD1-CB 3.49Å; N243-R245 PolarHBondContact OD1-N 3.09Å; N243-I246 HydrophobicContact CB-CB 4.2Å; N243-I246 HydrophobicContact CB-CD1 4.02Å; N243-I246 HydrophobicContact CB-CG1 4.1Å; N243-I246 PolarHBondContact O-N 3.18Å; N243-I246 PolarHBondContact OD1-N 3.05Å; N243-A247 PolarHBondContact O-N 3.2Å
244I94.7Very high96.2Very high114 Ų11438.9 Ų38.959%0.58519%0.191SC*.Hα-helixtrans-58.7-36.1179.5-67.6172.6000111.9A247 H248 L282I244-A247 PolarHBondContact O-N 3.39Å; I244-H248 WeakPolarHBondContact O-CB 3.22Å; I244-H248 PolarHBondContact O-N 3.01Å; I244-L282 HydrophobicContact CG2-CD1 4.26Å; I244-L282 HydrophobicContact CG2-CD2 4.32Å
245R95.3Very high95.9Very high104 Ų10437.6 Ų37.639%0.39218%0.179SC..Hα-helixtrans-69.3-39.7-178.2-174.4170.2160.4166.9-10.2111.4E212 N243 Q249 P338E212-R245 VanDerWaalsContact CD-NE 3.28Å; E212-R245 WeakPolarHBondContact OE1-CD 3.29Å; E212-R245 VanDerWaalsContact OE1-CG 3.29Å; E212-R245 WeakPolarHBondContact OE1-CG 3.13Å; E212-R245 IonicContact OE1-CZ 3.6Å; E212-R245 IonicContact OE1-NE 3.15Å; E212-R245 PolarHBondContact OE1-NE 3.44Å; E212-R245 IonicContact OE2-CZ 2.78Å; E212-R245 IonicContact OE2-NE 3.79Å; E212-R245 PolarHBondContact OE2-NE 2.84Å; E212-R245 IonicContact OE2-NH2 3.95Å; E212-R245 PolarHBondContact OE2-NH2 3.23Å; N243-R245 PolarHBondContact O-N 2.86Å; N243-R245 WeakPolarHBondContact OD1-CA 3.25Å; N243-R245 VanDerWaalsContact OD1-CB 3.29Å; N243-R245 WeakPolarHBondContact OD1-CB 3.49Å; N243-R245 PolarHBondContact OD1-N 3.09Å; R245-Q249 WeakPolarHBondContact O-CB 3.29Å; R245-Q249 VanDerWaalsContact O-CG 3.3Å; R245-Q249 WeakPolarHBondContact O-CG 3.16Å; R245-Q249 PolarHBondContact O-N 3.1Å; R245-P338 HydrophobicContact CG-CG 4.4Å
246I96.7Very high95.2Very high0 Ų038.1 Ų38.10%018%0.182CC..Hα-helixtrans-64.1-48.8172.1-66.9178.7000110.2D208 L211 E212 L215 R239 N243 H248 Q249 L250D208-I246 HydrophobicContact CB-CD1 3.77Å; D208-I246 WeakPolarHBondContact OD1-CD1 3.44Å; L211-I246 HydrophobicContact CD2-CD1 4.12Å; E212-I246 HydrophobicContact CG-CG1 4.17Å; L215-I246 HydrophobicContact CD1-CG2 4.31Å; L215-I246 HydrophobicContact CD2-CG2 4.39Å; R239-I246 HydrophobicContact CB-CD1 4.1Å; R239-I246 HydrophobicContact CB-CG2 4.19Å; N243-I246 HydrophobicContact CB-CB 4.2Å; N243-I246 HydrophobicContact CB-CD1 4.02Å; N243-I246 HydrophobicContact CB-CG1 4.1Å; N243-I246 PolarHBondContact O-N 3.18Å; N243-I246 PolarHBondContact OD1-N 3.05Å; I246-H248 VanDerWaalsContact C-N 3.31Å; I246-H248 PolarHBondContact O-N 3.07Å; I246-Q249 PolarHBondContact O-N 3.46Å; I246-L250 VanDerWaalsContact O-CB 3.23Å; I246-L250 WeakPolarHBondContact O-CB 3.38Å; I246-L250 PolarHBondContact O-N 3.22Å
247A97Very high94.5Very high1 Ų138.5 Ų38.51%0.00818%0.184CC..Hα-helixtrans-58-44179.300000112.4N243 I244 Y251 L274 L282N243-A247 PolarHBondContact O-N 3.2Å; I244-A247 PolarHBondContact O-N 3.39Å; A247-Y251 PolarHBondContact O-N 3.27Å; A247-L274 HydrophobicContact CB-CD1 4.29Å; A247-L282 HydrophobicContact CB-CD2 3.8Å
248H96.3Very high93.9Very high3 Ų339.3 Ų39.31%0.01419%0.187CC..Hα-helixtrans-65.2-48.1179178.8-95000112.3I244 I246 L250 Y251 W252 E289 P335 P338I244-H248 WeakPolarHBondContact O-CB 3.22Å; I244-H248 PolarHBondContact O-N 3.01Å; I246-H248 VanDerWaalsContact C-N 3.31Å; I246-H248 PolarHBondContact O-N 3.07Å; H248-L250 PolarHBondContact O-N 3.3Å; H248-Y251 WeakPolarHBondContact O-CB 3.49Å; H248-Y251 PolarHBondContact O-N 3.44Å; H248-W252 AromaticContact CD2-NE1 3.97Å; H248-W252 AromaticContact CE1-CD1 3.55Å; H248-W252 AromaticContact CE1-NE1 3.6Å; H248-W252 AromaticContact ND1-CD1 3.94Å; H248-W252 AromaticContact NE2-CD1 3.7Å; H248-W252 AromaticContact NE2-NE1 3.33Å; H248-W252 PolarHBondContact NE2-NE1 3.09Å; H248-W252 VanDerWaalsContact O-CD1 3.3Å; H248-W252 PolarHBondContact O-N 2.75Å; H248-E289 IonicContact CD2-OE1 3.64Å; H248-E289 IonicContact CD2-OE2 2.77Å; H248-E289 IonicContact CE1-OE2 3.52Å; H248-E289 VanDerWaalsContact NE2-CD 3.28Å; H248-E289 IonicContact NE2-OE1 2.76Å; H248-E289 PolarHBondContact NE2-OE1 3.05Å; H248-E289 IonicContact NE2-OE2 2.99Å; H248-E289 PolarHBondContact NE2-OE2 3.48Å; H248-P335 PolarHBondContact CE1-O 3.29Å; H248-P335 VanDerWaalsContact CE1-O 3.32Å; H248-P338 HydrophobicContact CB-CB 4.34Å; H248-P338 HydrophobicContact CB-CG 4.33Å
249Q95.8Very high93.1Very high53 Ų5339.3 Ų39.325%0.24819%0.189CC..Hα-helixtrans-64.4-41.7176.9-72.1178.215.800111.8E212 L215 R245 I246 Y251 W252 L253E212-Q249 PolarHBondContact OE2-NE2 2.94Å; L215-Q249 HydrophobicContact CD1-CB 4.09Å; R245-Q249 WeakPolarHBondContact O-CB 3.29Å; R245-Q249 VanDerWaalsContact O-CG 3.3Å; R245-Q249 WeakPolarHBondContact O-CG 3.16Å; R245-Q249 PolarHBondContact O-N 3.1Å; I246-Q249 PolarHBondContact O-N 3.46Å; Q249-Y251 VanDerWaalsContact C-N 3.31Å; Q249-Y251 PolarHBondContact O-N 2.98Å; Q249-W252 PolarHBondContact O-N 3.35Å; Q249-L253 WeakPolarHBondContact O-CB 3.38Å; Q249-L253 VanDerWaalsContact O-CG 3.3Å; Q249-L253 WeakPolarHBondContact O-CG 2.82Å; Q249-L253 PolarHBondContact O-N 3.07Å
250L96.9Very high92.7Very high0 Ų039.3 Ų39.30%019%0.19CC..Hα-helixtrans-61-40.7176.9-178.461.1000111.5V219 L236 S240 I246 H248 L253 L254 L274V219-L250 HydrophobicContact CG2-CD1 3.47Å; V219-L250 VanDerWaalsContact CG2-CD1 3.47Å; L236-L250 HydrophobicContact CB-CD2 3.97Å; L236-L250 HydrophobicContact CD1-CD1 4.11Å; S240-L250 WeakPolarHBondContact OG-CD2 3.25Å; I246-L250 VanDerWaalsContact O-CB 3.23Å; I246-L250 WeakPolarHBondContact O-CB 3.38Å; I246-L250 PolarHBondContact O-N 3.22Å; H248-L250 PolarHBondContact O-N 3.3Å; L250-L253 PolarHBondContact O-N 2.97Å; L250-L254 HydrophobicContact CD1-CD1 4Å; L250-L254 HydrophobicContact CD1-CG 4.17Å; L250-L254 HydrophobicContact CG-CD1 3.89Å; L250-L254 HydrophobicContact CG-CG 4.46Å; L250-L254 WeakPolarHBondContact O-CB 3.06Å; L250-L254 VanDerWaalsContact O-CG 3.28Å; L250-L254 WeakPolarHBondContact O-CG 3.21Å; L250-L254 PolarHBondContact O-N 3.3Å; L250-L274 HydrophobicContact CB-CD2 4.15Å; L250-L274 HydrophobicContact CD2-CD1 4.23Å; L250-L274 HydrophobicContact CD2-CD2 4.05Å; L250-L274 HydrophobicContact CG-CD2 3.92Å
251Y96.9Very high92.3Very high14 Ų1445.3 Ų45.36%0.05521%0.212CC..Hα-helixtrans-56.9-52.2174.8171.3-97.9000111.5A247 H248 Q249 L253 L254 E255 Q271 M275 L286 S290A247-Y251 PolarHBondContact O-N 3.27Å; H248-Y251 WeakPolarHBondContact O-CB 3.49Å; H248-Y251 PolarHBondContact O-N 3.44Å; Q249-Y251 VanDerWaalsContact C-N 3.31Å; Q249-Y251 PolarHBondContact O-N 2.98Å; Y251-L253 PolarHBondContact O-N 2.93Å; Y251-L254 PolarHBondContact O-N 3.31Å; Y251-E255 VanDerWaalsContact CZ-OE2 3.31Å; Y251-E255 WeakPolarHBondContact O-CB 3.47Å; Y251-E255 PolarHBondContact O-N 2.8Å; Y251-E255 PolarHBondContact OH-OE2 2.73Å; Y251-Q271 HydrophobicContact CD2-CG 4.3Å; Y251-Q271 HydrophobicContact CE2-CG 4.5Å; Y251-M275 HydrophobicContact CD2-CG 4.4Å; Y251-M275 HydrophobicContact CD2-SD 3.8Å; Y251-M275 HydrophobicContact CE2-CE 4.42Å; Y251-M275 HydrophobicContact CE2-CG 4.46Å; Y251-M275 HydrophobicContact CE2-SD 3.92Å; Y251-L286 HydrophobicContact CD1-CB 4.48Å; Y251-L286 HydrophobicContact CD1-CD1 4.27Å; Y251-L286 HydrophobicContact CD1-CD2 3.6Å; Y251-L286 HydrophobicContact CD1-CG 4.32Å; Y251-L286 HydrophobicContact CD2-CD1 4Å; Y251-L286 HydrophobicContact CE1-CB 4.34Å; Y251-L286 HydrophobicContact CE1-CD2 4.15Å; Y251-L286 HydrophobicContact CG-CD1 3.82Å; Y251-L286 HydrophobicContact CG-CD2 3.96Å; Y251-L286 HydrophobicContact CG-CG 4.37Å; Y251-S290 PolarHBondContact OH-OG 3Å
252W95.6Very high92Very high7 Ų740.7 Ų40.73%0.02719%0.187CC..Hα-helixtrans-67.3-33.9-178.3-75.9109.5000113.4H248 Q249 E255 D256 E289 V293 P335 V416 T418H248-W252 AromaticContact CD2-NE1 3.97Å; H248-W252 AromaticContact CE1-CD1 3.55Å; H248-W252 AromaticContact CE1-NE1 3.6Å; H248-W252 AromaticContact ND1-CD1 3.94Å; H248-W252 AromaticContact NE2-CD1 3.7Å; H248-W252 AromaticContact NE2-NE1 3.33Å; H248-W252 PolarHBondContact NE2-NE1 3.09Å; H248-W252 VanDerWaalsContact O-CD1 3.3Å; H248-W252 PolarHBondContact O-N 2.75Å; Q249-W252 PolarHBondContact O-N 3.35Å; W252-E255 HydrophobicContact CE3-CB 4.37Å; W252-E255 HydrophobicContact CE3-CG 4.41Å; W252-E255 HydrophobicContact CZ3-CG 4.33Å; W252-E255 PolarHBondContact O-N 3.39Å; W252-D256 PolarHBondContact O-N 3.05Å; W252-E289 HydrophobicContact CZ2-CB 3.75Å; W252-E289 WeakPolarHBondContact CZ2-OE2 3.41Å; W252-E289 PolarHBondContact NE1-OE2 3.37Å; W252-V293 HydrophobicContact CH2-CB 4.32Å; W252-V293 HydrophobicContact CH2-CG2 3.72Å; W252-V293 HydrophobicContact CZ2-CG2 4.41Å; W252-V293 HydrophobicContact CZ3-CG2 4.31Å; W252-P335 HydrophobicContact CD2-CB 4.08Å; W252-P335 HydrophobicContact CH2-CB 4.27Å; W252-P335 HydrophobicContact CH2-CG 4Å; W252-P335 HydrophobicContact CZ2-CB 3.69Å; W252-P335 HydrophobicContact CZ2-CG 3.55Å; W252-V416 HydrophobicContact CB-CG2 3.77Å; W252-V416 HydrophobicContact CG-CG2 4.2Å; W252-T418 HydrophobicContact CE3-CG2 4.12Å; W252-T418 HydrophobicContact CZ3-CG2 3.89Å
253L94.4Very high91.9Very high25 Ų2534.1 Ų34.113%0.13116%0.159CC..Hα-helixtrans-66.7-37.1172.8-70.8169.9000112L215 P216 V219 Q249 L250 Y251 T257 M388L215-L253 HydrophobicContact CB-CD1 3.88Å; P216-L253 HydrophobicContact CB-CD2 4.31Å; P216-L253 HydrophobicContact CG-CD1 4.16Å; P216-L253 HydrophobicContact CG-CD2 4.04Å; V219-L253 HydrophobicContact CB-CB 4.49Å; V219-L253 HydrophobicContact CG1-CB 4.35Å; V219-L253 HydrophobicContact CG2-CB 3.96Å; V219-L253 HydrophobicContact CG2-CD1 4.02Å; Q249-L253 WeakPolarHBondContact O-CB 3.38Å; Q249-L253 VanDerWaalsContact O-CG 3.3Å; Q249-L253 WeakPolarHBondContact O-CG 2.82Å; Q249-L253 PolarHBondContact O-N 3.07Å; L250-L253 PolarHBondContact O-N 2.97Å; Y251-L253 PolarHBondContact O-N 2.93Å; L253-T257 WeakPolarHBondContact O-CG2 3.47Å; L253-M388 HydrophobicContact CD2-CE 3.7Å
254L94.5Very high91.7Very high1 Ų137 Ų371%0.00517%0.171CC..Hα-helixtrans-74.7-35.6175.6-70.5168.9000112.1V219 L222 L250 Y251 D256 T257 L267 V270 Q271 L274V219-L254 HydrophobicContact CG1-CD2 4.17Å; L222-L254 HydrophobicContact CD1-CD2 4.26Å; L250-L254 HydrophobicContact CD1-CD1 4Å; L250-L254 HydrophobicContact CD1-CG 4.17Å; L250-L254 HydrophobicContact CG-CD1 3.89Å; L250-L254 HydrophobicContact CG-CG 4.46Å; L250-L254 WeakPolarHBondContact O-CB 3.06Å; L250-L254 VanDerWaalsContact O-CG 3.28Å; L250-L254 WeakPolarHBondContact O-CG 3.21Å; L250-L254 PolarHBondContact O-N 3.3Å; Y251-L254 PolarHBondContact O-N 3.31Å; L254-D256 VanDerWaalsContact C-N 3.29Å; L254-D256 PolarHBondContact O-N 3.2Å; L254-T257 WeakPolarHBondContact O-CB 3.22Å; L254-T257 PolarHBondContact O-N 3.42Å; L254-T257 PolarHBondContact O-OG1 3.3Å; L254-L267 HydrophobicContact CD2-CB 4.38Å; L254-L267 HydrophobicContact CD2-CD2 4.27Å; L254-V270 HydrophobicContact CD1-CG1 4.15Å; L254-Q271 HydrophobicContact CB-CB 4.07Å; L254-Q271 HydrophobicContact CB-CG 3.99Å; L254-Q271 HydrophobicContact CD1-CB 3.96Å; L254-Q271 HydrophobicContact CD1-CG 4.27Å; L254-L274 HydrophobicContact CD1-CD2 4.26Å
255E91.3Very high91.5Very high51 Ų5132.5 Ų32.524%0.23815%0.15CC..Hα-helixtrans-59-41.5177.7-170.569.4-150.800111.4Y251 W252 T257 H258 Q271Y251-E255 VanDerWaalsContact CZ-OE2 3.31Å; Y251-E255 WeakPolarHBondContact O-CB 3.47Å; Y251-E255 PolarHBondContact O-N 2.8Å; Y251-E255 PolarHBondContact OH-OE2 2.73Å; W252-E255 HydrophobicContact CE3-CB 4.37Å; W252-E255 HydrophobicContact CE3-CG 4.41Å; W252-E255 HydrophobicContact CZ3-CG 4.33Å; W252-E255 PolarHBondContact O-N 3.39Å; E255-T257 PolarHBondContact O-N 3.15Å; E255-H258 WeakPolarHBondContact O-CB 3.45Å; E255-H258 PolarHBondContact O-CD2 2.84Å; E255-H258 PolarHBondContact O-N 3.03Å; E255-H258 IonicContact OE1-CD2 2.93Å; E255-H258 IonicContact OE2-CD2 3.3Å; E255-H258 IonicContact OE2-NE2 2.8Å; E255-Q271 PolarHBondContact OE2-NE2 3.28Å
256D84.3Confident91.4Very high19 Ų1928.4 Ų28.410%0.10213%0.134CC..Hα-helixtrans-59.3-33.6174.7-176.862.6000112.8W252 L254 H258 T259 R385 S417W252-D256 PolarHBondContact O-N 3.05Å; L254-D256 VanDerWaalsContact C-N 3.29Å; L254-D256 PolarHBondContact O-N 3.2Å; D256-H258 VanDerWaalsContact C-N 3.26Å; D256-H258 PolarHBondContact O-N 3.04Å; D256-T259 PolarHBondContact O-N 3.27Å; D256-T259 PolarHBondContact O-OG1 2.89Å; D256-R385 WeakPolarHBondContact OD2-CD 3.26Å; D256-R385 WeakPolarHBondContact OD2-CG 3.37Å; D256-S417 WeakPolarHBondContact OD1-CB 3.24Å; D256-S417 PolarHBondContact OD1-OG 3.49Å
257T83.3Confident91.3Very high9 Ų928.4 Ų28.46%0.05513%0.134CC..G310 helixtrans-75.7-7.5-178.272.40000114.2V219 L253 L254 E255 T259 D260 L267V219-T257 HydrophobicContact CG1-CG2 4.3Å; L253-T257 WeakPolarHBondContact O-CG2 3.47Å; L254-T257 WeakPolarHBondContact O-CB 3.22Å; L254-T257 PolarHBondContact O-N 3.42Å; L254-T257 PolarHBondContact O-OG1 3.3Å; E255-T257 PolarHBondContact O-N 3.15Å; T257-T259 PolarHBondContact O-N 3.4Å; T257-D260 WeakPolarHBondContact O-CB 3.38Å; T257-D260 PolarHBondContact O-N 2.72Å; T257-L267 HydrophobicContact CG2-CD1 3.85Å
258H83.3Confident91.1Very high49 Ų4930 Ų3023%0.22715%0.146CC..G310 helixtrans-60-18.4172.1-74.4-54.1000113.4E255 D256 Q264 S268 Q271E255-H258 WeakPolarHBondContact O-CB 3.45Å; E255-H258 PolarHBondContact O-CD2 2.84Å; E255-H258 PolarHBondContact O-N 3.03Å; E255-H258 IonicContact OE1-CD2 2.93Å; E255-H258 IonicContact OE2-CD2 3.3Å; E255-H258 IonicContact OE2-NE2 2.8Å; D256-H258 VanDerWaalsContact C-N 3.26Å; D256-H258 PolarHBondContact O-N 3.04Å; H258-Q264 PolarHBondContact O-NE2 3.25Å; H258-S268 PolarHBondContact ND1-OG 2.83Å; H258-Q271 PolarHBondContact CE1-OE1 2.91Å; H258-Q271 PolarHBondContact NE2-NE2 2.96Å; H258-Q271 PolarHBondContact NE2-OE1 2.88Å
259T80.9Confident91.1Very high62 Ų6234 Ų3438%0.3816%0.163SC..G310 helixtrans-89.8-3.5177.666.40000113.3D256 T257 R261 K420D256-T259 PolarHBondContact O-N 3.27Å; D256-T259 PolarHBondContact O-OG1 2.89Å; T257-T259 PolarHBondContact O-N 3.4Å; T259-R261 PolarHBondContact O-N 2.86Å; T259-K420 HydrophobicContact CG2-CB 3.9Å
260D87.8Confident91.1Very high17 Ų1731.5 Ų31.59%0.09115%0.151CC..  trans-71.2120.2177.7-170.4-57.6000110.9K223 T257 Y262 F263 Q264K223-D260 WeakPolarHBondContact CE-OD2 3.41Å; K223-D260 IonicContact NZ-OD2 3.61Å; K223-D260 PolarHBondContact NZ-OD2 3.37Å; T257-D260 WeakPolarHBondContact O-CB 3.38Å; T257-D260 PolarHBondContact O-N 2.72Å; D260-Y262 VanDerWaalsContact C-N 3.28Å; D260-Y262 PolarHBondContact O-N 2.87Å; D260-Y262 PolarHBondContact OD1-N 3.35Å; D260-F263 PolarHBondContact OD1-N 3.22Å; D260-Q264 WeakPolarHBondContact O-CB 3.42Å; D260-Q264 PolarHBondContact O-N 3.37Å
261R87.8Confident91Very high136 Ų13632.5 Ų32.551%0.51316%0.156SC..THydrogen-bonded Turntrans-75.4-18-172.3-63.7176.6-68.3161.8-1.1113.6L57 T259 E582L57-R261 HydrophobicContact CD1-CB 3.86Å; L57-R261 HydrophobicContact CD2-CB 4.42Å; T259-R261 PolarHBondContact O-N 2.86Å; R261-E582 IonicContact CZ-OE2 2.7Å; R261-E582 IonicContact NE-OE2 3.24Å; R261-E582 IonicContact NH2-OE2 2.93Å; R261-E582 PolarHBondContact NH2-OE2 2.88Å
262Y89.9Confident91Very high9 Ų934.6 Ų34.64%0.03518%0.176CC..THydrogen-bonded Turntrans-103.6-43.5-172.7-63.8-81.4000111.8W34 L57 P58 L60 L68 S71 D260 E582W34-Y262 HydrophobicContact CZ2-CD1 4.5Å; W34-Y262 HydrophobicContact CZ2-CE1 4.07Å; L57-Y262 HydrophobicContact CB-CD1 4.47Å; L57-Y262 HydrophobicContact CB-CE1 3.54Å; L57-Y262 HydrophobicContact CD1-CD1 3.73Å; L57-Y262 HydrophobicContact CD1-CE1 3.55Å; L57-Y262 HydrophobicContact CD1-CG 4.29Å; L57-Y262 HydrophobicContact CG-CE1 4.18Å; P58-Y262 WeakPolarHBondContact O-CE1 3.32Å; P58-Y262 PolarHBondContact O-OH 3.32Å; L60-Y262 HydrophobicContact CD1-CD1 3.89Å; L60-Y262 HydrophobicContact CD1-CD2 4.34Å; L60-Y262 HydrophobicContact CD1-CE1 4.25Å; L60-Y262 HydrophobicContact CD1-CG 3.94Å; L60-Y262 HydrophobicContact CD2-CD1 4.49Å; L60-Y262 HydrophobicContact CD2-CD2 4.1Å; L60-Y262 HydrophobicContact CD2-CE1 4.17Å; L60-Y262 HydrophobicContact CD2-CE2 3.75Å; L60-Y262 HydrophobicContact CD2-CG 4.46Å; L60-Y262 HydrophobicContact CG-CD1 4.2Å; L60-Y262 HydrophobicContact CG-CE1 4.03Å; L60-Y262 HydrophobicContact CG-CE2 4.45Å; L60-Y262 HydrophobicContact CG-CG 4.49Å; L68-Y262 HydrophobicContact CD1-CD1 3.92Å; L68-Y262 HydrophobicContact CD1-CG 4.37Å; S71-Y262 PolarHBondContact OG-O 2.82Å; D260-Y262 VanDerWaalsContact C-N 3.28Å; D260-Y262 PolarHBondContact O-N 2.87Å; D260-Y262 PolarHBondContact OD1-N 3.35Å; Y262-E582 WeakPolarHBondContact CD2-OE1 3.39Å; Y262-E582 WeakPolarHBondContact CE2-OE1 3.39Å
263F91.9Very high91Very high6 Ų635.9 Ų35.93%0.02619%0.188CC..THydrogen-bonded Turntrans-113.20.6-166.8-58.7-78.2000114.4L60 F62 A67 L68 K223 D260 S265 W266 L267L60-F263 HydrophobicContact CD1-CE2 3.93Å; L60-F263 HydrophobicContact CD1-CZ 3.97Å; F62-F263 HydrophobicContact CE2-CE2 4.49Å; F62-F263 HydrophobicContact CE2-CZ 4.26Å; A67-F263 HydrophobicContact CB-CD1 3.78Å; A67-F263 HydrophobicContact CB-CE1 4.14Å; L68-F263 HydrophobicContact CB-CD1 4.4Å; L68-F263 HydrophobicContact CB-CE1 3.74Å; L68-F263 HydrophobicContact CB-CZ 4.31Å; K223-F263 HydrophobicContact CB-CD1 4.05Å; K223-F263 HydrophobicContact CB-CD2 4.31Å; K223-F263 HydrophobicContact CB-CE1 4.03Å; K223-F263 HydrophobicContact CB-CE2 4.32Å; K223-F263 HydrophobicContact CB-CG 4.18Å; K223-F263 HydrophobicContact CB-CZ 4.18Å; K223-F263 HydrophobicContact CD-CD2 3.66Å; K223-F263 HydrophobicContact CD-CE2 3.96Å; K223-F263 HydrophobicContact CD-CG 4.11Å; K223-F263 HydrophobicContact CG-CB 4.14Å; K223-F263 HydrophobicContact CG-CD1 4.15Å; K223-F263 HydrophobicContact CG-CD2 3.87Å; K223-F263 HydrophobicContact CG-CE2 4.31Å; K223-F263 HydrophobicContact CG-CG 3.79Å; D260-F263 PolarHBondContact OD1-N 3.22Å; F263-S265 VanDerWaalsContact C-N 3.26Å; F263-S265 PolarHBondContact O-N 2.78Å; F263-S265 VanDerWaalsContact O-N 3.15Å; F263-W266 PolarHBondContact O-N 2.94Å; F263-W266 VanDerWaalsContact O-N 3.1Å; F263-L267 HydrophobicContact CB-CD1 3.96Å; F263-L267 HydrophobicContact CB-CG 4.3Å; F263-L267 PolarHBondContact O-N 3.45Å
264Q90.9Very high91.1Very high96 Ų9634.8 Ų34.845%0.44918%0.182SC..Hα-helixtrans-49.3-44.3-178.8171.2-173.519.200112.9H258 D260 W266 S268H258-Q264 PolarHBondContact O-NE2 3.25Å; D260-Q264 WeakPolarHBondContact O-CB 3.42Å; D260-Q264 PolarHBondContact O-N 3.37Å; Q264-W266 PolarHBondContact O-N 3.43Å; Q264-S268 VanDerWaalsContact O-CB 3.23Å; Q264-S268 WeakPolarHBondContact O-CB 3.43Å; Q264-S268 PolarHBondContact O-N 3.35Å; Q264-S268 PolarHBondContact O-OG 2.8Å
265S90.8Very high91.2Very high21 Ų2136.3 Ų36.315%0.14719%0.19CC..Hα-helixtrans-59.5-46.8-178.4-176.30000111.9D70 Q74 F263 K269D70-S265 VanDerWaalsContact OD2-CB 3.25Å; D70-S265 WeakPolarHBondContact OD2-CB 3.36Å; D70-S265 PolarHBondContact OD2-OG 3.29Å; Q74-S265 PolarHBondContact NE2-OG 3.35Å; F263-S265 VanDerWaalsContact C-N 3.26Å; F263-S265 PolarHBondContact O-N 2.78Å; F263-S265 VanDerWaalsContact O-N 3.15Å; S265-K269 WeakPolarHBondContact O-CG 3.42Å; S265-K269 PolarHBondContact O-N 3.24Å
266W93.2Very high91.3Very high17 Ų1740.7 Ų40.76%0.06421%0.21CC..Hα-helixtrans-66.5-50.3179.5-177-93.5000112.1A67 D70 L222 E225 K227 L228 F263 Q264 S268 K269 V270A67-W266 HydrophobicContact CB-CB 3.92Å; A67-W266 HydrophobicContact CB-CD2 3.54Å; A67-W266 HydrophobicContact CB-CE3 4.06Å; A67-W266 HydrophobicContact CB-CG 3.47Å; A67-W266 VanDerWaalsContact CB-CG 3.47Å; A67-W266 HydrophobicContact CB-CZ2 4.45Å; D70-W266 HydrophobicContact CB-CE3 4.14Å; L222-W266 PolarHBondContact O-NE1 3.27Å; E225-W266 HydrophobicContact CB-CZ2 4.28Å; K227-W266 VanDerWaalsContact C-CH2 3.44Å; K227-W266 WeakPolarHBondContact O-CZ2 3.46Å; L228-W266 HydrophobicContact CB-CH2 3.93Å; L228-W266 HydrophobicContact CB-CZ2 4.2Å; L228-W266 HydrophobicContact CB-CZ3 4.28Å; L228-W266 HydrophobicContact CD1-CD2 4.07Å; L228-W266 HydrophobicContact CD1-CE3 4.32Å; L228-W266 HydrophobicContact CD1-CH2 4.42Å; L228-W266 HydrophobicContact CD1-CZ2 4.12Å; L228-W266 HydrophobicContact CD1-CZ3 4.5Å; L228-W266 VanDerWaalsContact N-CH2 3.26Å; F263-W266 PolarHBondContact O-N 2.94Å; F263-W266 VanDerWaalsContact O-N 3.1Å; Q264-W266 PolarHBondContact O-N 3.43Å; W266-S268 VanDerWaalsContact C-N 3.3Å; W266-S268 PolarHBondContact O-N 2.96Å; W266-K269 WeakPolarHBondContact O-CB 3.39Å; W266-K269 PolarHBondContact O-N 3.3Å; W266-V270 PolarHBondContact O-N 3.22Å
267L94.3Very high91.6Very high1 Ų142.3 Ų42.31%0.00522%0.222CC..Hα-helixtrans-66.6-33-176.9-63.6172.1000112.1L222 K223 L254 T257 F263 K269 V270 Q271L222-L267 HydrophobicContact CB-CD2 3.91Å; L222-L267 HydrophobicContact CD1-CD2 4.22Å; K223-L267 HydrophobicContact CG-CD1 4.46Å; L254-L267 HydrophobicContact CD2-CB 4.38Å; L254-L267 HydrophobicContact CD2-CD2 4.27Å; T257-L267 HydrophobicContact CG2-CD1 3.85Å; F263-L267 HydrophobicContact CB-CD1 3.96Å; F263-L267 HydrophobicContact CB-CG 4.3Å; F263-L267 PolarHBondContact O-N 3.45Å; L267-K269 VanDerWaalsContact C-N 3.27Å; L267-K269 PolarHBondContact O-N 3.32Å; L267-V270 PolarHBondContact O-N 3.45Å; L267-Q271 PolarHBondContact O-N 3.32Å
268S93.8Very high92.1Very high35 Ų3542.9 Ų42.925%0.24523%0.227CC..Hα-helixtrans-64.2-30.9173.7-57.20000112.3H258 Q264 W266 A272H258-S268 PolarHBondContact ND1-OG 2.83Å; Q264-S268 VanDerWaalsContact O-CB 3.23Å; Q264-S268 WeakPolarHBondContact O-CB 3.43Å; Q264-S268 PolarHBondContact O-N 3.35Å; Q264-S268 PolarHBondContact O-OG 2.8Å; W266-S268 VanDerWaalsContact C-N 3.3Å; W266-S268 PolarHBondContact O-N 2.96Å; S268-A272 WeakPolarHBondContact O-CB 3.29Å; S268-A272 PolarHBondContact O-N 3.11Å
269K95.1Very high92.6Very high85 Ų8542.2 Ų42.237%0.3723%0.233SC..Hα-helixtrans-70-41.2174-67.2167.6-179.7176.50111.5D70 L228 S265 W266 L267 Q271 A272 A273D70-K269 IonicContact OD1-NZ 2.63Å; D70-K269 PolarHBondContact OD1-NZ 3.3Å; D70-K269 IonicContact OD2-NZ 3.94Å; D70-K269 PolarHBondContact OD2-NZ 3.47Å; L228-K269 HydrophobicContact CD1-CB 4.08Å; L228-K269 HydrophobicContact CD2-CB 4.12Å; L228-K269 HydrophobicContact CD2-CD 4.12Å; S265-K269 WeakPolarHBondContact O-CG 3.42Å; S265-K269 PolarHBondContact O-N 3.24Å; W266-K269 WeakPolarHBondContact O-CB 3.39Å; W266-K269 PolarHBondContact O-N 3.3Å; L267-K269 VanDerWaalsContact C-N 3.27Å; L267-K269 PolarHBondContact O-N 3.32Å; K269-Q271 VanDerWaalsContact C-N 3.34Å; K269-A272 PolarHBondContact O-N 2.81Å; K269-A273 PolarHBondContact O-N 2.62Å
270V96Very high93.2Very high2 Ų250 Ų501%0.01226%0.255CS..Hα-helixtrans-61.9-44.2174.5-179.70000110.5L222 L228 V233 L254 W266 L267 A273 L274L222-V270 HydrophobicContact CD1-CG1 4.24Å; L228-V270 HydrophobicContact CD1-CG2 4Å; V233-V270 HydrophobicContact CG1-CG1 4.12Å; V233-V270 HydrophobicContact CG1-CG2 4.23Å; L254-V270 HydrophobicContact CD1-CG1 4.15Å; W266-V270 PolarHBondContact O-N 3.22Å; L267-V270 PolarHBondContact O-N 3.45Å; V270-A273 WeakPolarHBondContact O-CB 3.38Å; V270-A273 PolarHBondContact O-N 2.97Å; V270-L274 PolarHBondContact O-N 2.86Å
271Q96Very high93.5Very high20 Ų2053 Ų539%0.09328%0.282CS..Hα-helixtrans-64.1-40.6175.9-165-160.334.400112.1Y251 L254 E255 H258 L267 K269 A273 L274 M275Y251-Q271 HydrophobicContact CD2-CG 4.3Å; Y251-Q271 HydrophobicContact CE2-CG 4.5Å; L254-Q271 HydrophobicContact CB-CB 4.07Å; L254-Q271 HydrophobicContact CB-CG 3.99Å; L254-Q271 HydrophobicContact CD1-CB 3.96Å; L254-Q271 HydrophobicContact CD1-CG 4.27Å; E255-Q271 PolarHBondContact OE2-NE2 3.28Å; H258-Q271 PolarHBondContact CE1-OE1 2.91Å; H258-Q271 PolarHBondContact NE2-NE2 2.96Å; H258-Q271 PolarHBondContact NE2-OE1 2.88Å; L267-Q271 PolarHBondContact O-N 3.32Å; K269-Q271 VanDerWaalsContact C-N 3.34Å; Q271-A273 VanDerWaalsContact C-N 3.31Å; Q271-A273 PolarHBondContact O-N 3.02Å; Q271-L274 WeakPolarHBondContact O-CB 3.43Å; Q271-L274 PolarHBondContact O-N 3.22Å; Q271-M275 WeakPolarHBondContact O-CB 3.37Å; Q271-M275 WeakPolarHBondContact O-CG 3.4Å; Q271-M275 PolarHBondContact O-N 2.96Å
272A95.5Very high93.8Very high58 Ų5847.6 Ų47.648%0.47926%0.264SS..Hα-helixtrans-61.4-40.2174.700000111.8S268 K269 M275 H276S268-A272 WeakPolarHBondContact O-CB 3.29Å; S268-A272 PolarHBondContact O-N 3.11Å; K269-A272 PolarHBondContact O-N 2.81Å; A272-M275 PolarHBondContact O-N 2.63Å; A272-H276 WeakPolarHBondContact O-CB 3.21Å; A272-H276 PolarHBondContact O-N 2.9Å
273A96.4Very high94.1Very high34 Ų3451 Ų5128%0.28128%0.277SS..Hα-helixtrans-63.5-44.4173.600000111.6L237 K269 V270 Q271 M275 H276 C277L237-A273 HydrophobicContact CD1-CB 4.05Å; L237-A273 HydrophobicContact CD2-CB 4.37Å; K269-A273 PolarHBondContact O-N 2.62Å; V270-A273 WeakPolarHBondContact O-CB 3.38Å; V270-A273 PolarHBondContact O-N 2.97Å; Q271-A273 VanDerWaalsContact C-N 3.31Å; Q271-A273 PolarHBondContact O-N 3.02Å; A273-M275 PolarHBondContact O-N 3.09Å; A273-H276 WeakPolarHBondContact O-CB 3.49Å; A273-H276 PolarHBondContact O-N 2.99Å; A273-C277 WeakPolarHBondContact O-CB 3.35Å; A273-C277 PolarHBondContact O-N 3.27Å; A273-C277 PolarHBondContact O-SG 3.2Å
274L96.6Very high94.2Very high2 Ų256.4 Ų56.41%0.0130%0.3CS..Hα-helixtrans-57.4-50173.7175.564.7000111.4L237 A247 L250 L254 V270 Q271 H276 C277 C278L237-L274 HydrophobicContact CD2-CB 4.03Å; L237-L274 HydrophobicContact CD2-CD1 4.47Å; A247-L274 HydrophobicContact CB-CD1 4.29Å; L250-L274 HydrophobicContact CB-CD2 4.15Å; L250-L274 HydrophobicContact CD2-CD1 4.23Å; L250-L274 HydrophobicContact CD2-CD2 4.05Å; L250-L274 HydrophobicContact CG-CD2 3.92Å; L254-L274 HydrophobicContact CD1-CD2 4.26Å; V270-L274 PolarHBondContact O-N 2.86Å; Q271-L274 WeakPolarHBondContact O-CB 3.43Å; Q271-L274 PolarHBondContact O-N 3.22Å; L274-H276 VanDerWaalsContact C-N 3.26Å; L274-H276 PolarHBondContact O-N 3.39Å; L274-C277 PolarHBondContact O-N 3.23Å; L274-C277 VanDerWaalsContact O-N 3.14Å; L274-C278 VanDerWaalsContact O-CB 3.25Å; L274-C278 WeakPolarHBondContact O-CB 3.2Å; L274-C278 PolarHBondContact O-N 2.98Å
275M95.6Very high94.4Very high34 Ų3454.3 Ų54.317%0.16729%0.29CS..Hα-helixtrans-63.3-33.2179.1-72.6-61.6-82.600112.1Y251 Q271 A272 A273 C278 R283 L286Y251-M275 HydrophobicContact CD2-CG 4.4Å; Y251-M275 HydrophobicContact CD2-SD 3.8Å; Y251-M275 HydrophobicContact CE2-CE 4.42Å; Y251-M275 HydrophobicContact CE2-CG 4.46Å; Y251-M275 HydrophobicContact CE2-SD 3.92Å; Q271-M275 WeakPolarHBondContact O-CB 3.37Å; Q271-M275 WeakPolarHBondContact O-CG 3.4Å; Q271-M275 PolarHBondContact O-N 2.96Å; A272-M275 PolarHBondContact O-N 2.63Å; A273-M275 PolarHBondContact O-N 3.09Å; M275-C278 PolarHBondContact O-SG 3.03Å; M275-C278 VanDerWaalsContact O-SG 3.37Å; M275-R283 HydrophobicContact CE-CG 3.69Å; M275-R283 PolarHBondContact O-NE 3.35Å; M275-R283 PolarHBondContact O-NH2 3.39Å; M275-L286 HydrophobicContact CE-CB 4.39Å; M275-L286 HydrophobicContact CE-CD1 4.48Å; M275-L286 HydrophobicContact SD-CD1 3.64Å
276H93.7Very high94.7Very high143 Ų14353.3 Ų53.366%0.66228%0.283SS*.Hα-helixtrans-64-47173.1-171.780.3000111.3A272 A273 L274 R283A272-H276 WeakPolarHBondContact O-CB 3.21Å; A272-H276 PolarHBondContact O-N 2.9Å; A273-H276 WeakPolarHBondContact O-CB 3.49Å; A273-H276 PolarHBondContact O-N 2.99Å; L274-H276 VanDerWaalsContact C-N 3.26Å; L274-H276 PolarHBondContact O-N 3.39Å; H276-R283 PolarHBondContact O-NH2 3.17Å; H276-R283 VanDerWaalsContact O-NH2 3.15Å
277C91.9Very high94.8Very high52 Ų5257.6 Ų57.635%0.35130%0.304SS..Hα-helixtrans-84-24.8-171.5-67.60000114.7L241 A273 L274 G279L241-C277 HydrophobicContact CD2-CB 3.89Å; L241-C277 WeakPolarHBondContact CD2-O 3.43Å; L241-C277 HydrophobicContact CG-CB 4.49Å; A273-C277 WeakPolarHBondContact O-CB 3.35Å; A273-C277 PolarHBondContact O-N 3.27Å; A273-C277 PolarHBondContact O-SG 3.2Å; L274-C277 PolarHBondContact O-N 3.23Å; L274-C277 VanDerWaalsContact O-N 3.14Å; C277-G279 PolarHBondContact O-N 3.38Å
278C93.1Very high94.9Very high22 Ų2259.4 Ų59.415%0.14931%0.312CS..THydrogen-bonded Turntrans-68.4-7.7-171.671.50000115.3L274 M275 L282L274-C278 VanDerWaalsContact O-CB 3.25Å; L274-C278 WeakPolarHBondContact O-CB 3.2Å; L274-C278 PolarHBondContact O-N 2.98Å; M275-C278 PolarHBondContact O-SG 3.03Å; M275-C278 VanDerWaalsContact O-SG 3.37Å; C278-L282 HydrophobicContact CB-CB 4.47Å; C278-L282 HydrophobicContact CB-CD2 3.93Å; C278-L282 HydrophobicContact CB-CG 4.27Å
279G92.8Very high95Very high35 Ų3557.9 Ų57.936%0.36130%0.301SS..  trans82.9160.8-18000000113.9C277 A281 R283C277-G279 PolarHBondContact O-N 3.38Å; G279-A281 PolarHBondContact O-N 3.15Å; G279-R283 VanDerWaalsContact O-CB 3.28Å; G279-R283 WeakPolarHBondContact O-CB 3.08Å; G279-R283 PolarHBondContact O-N 2.84Å
280R94.3Very high95Very high224 Ų22454.6 Ų54.685%0.84529%0.289SS*.Hα-helixtrans-63-38-171.9-67.1-169.2-63.6-93.90.3113.9K284R280-K284 WeakPolarHBondContact O-CB 3.28Å; R280-K284 PolarHBondContact O-N 3.33Å; R280-K284 VanDerWaalsContact O-N 3.13Å
281A93.6Very high95Very high80 Ų8058.7 Ų58.766%0.66131%0.308SS*.Hα-helixtrans-67.2-54.8-176.600000110.9G279 R283 K284 E285G279-A281 PolarHBondContact O-N 3.15Å; A281-R283 VanDerWaalsContact C-N 3.34Å; A281-R283 PolarHBondContact O-N 3.47Å; A281-K284 PolarHBondContact O-N 2.55Å; A281-E285 PolarHBondContact O-N 2.94Å; A281-E285 VanDerWaalsContact O-N 3.08Å
282L94.9Very high95.1Very high23 Ų2357.8 Ų57.812%0.1230%0.304CS..Hα-helixtrans-63.1-40.5178.6-179.354.4000111.5I244 A247 C278 K284 E285 L286I244-L282 HydrophobicContact CG2-CD1 4.26Å; I244-L282 HydrophobicContact CG2-CD2 4.32Å; A247-L282 HydrophobicContact CB-CD2 3.8Å; C278-L282 HydrophobicContact CB-CB 4.47Å; C278-L282 HydrophobicContact CB-CD2 3.93Å; C278-L282 HydrophobicContact CB-CG 4.27Å; L282-K284 VanDerWaalsContact C-N 3.33Å; L282-K284 PolarHBondContact O-N 3.42Å; L282-E285 PolarHBondContact O-N 3.3Å; L282-E285 VanDerWaalsContact O-N 3.17Å; L282-L286 HydrophobicContact CD1-CD1 4.36Å; L282-L286 HydrophobicContact CD1-CD2 4.38Å; L282-L286 HydrophobicContact CD1-CG 4.07Å; L282-L286 HydrophobicContact CG-CD1 4.15Å; L282-L286 HydrophobicContact CG-CG 4.34Å; L282-L286 WeakPolarHBondContact O-CG 3.5Å; L282-L286 PolarHBondContact O-N 3.38Å
283R95.8Very high95.1Very high82 Ų8255.3 Ų55.331%0.30928%0.283SS..Hα-helixtrans-53.7-48.9174.4-174.2-177-60.3169.97.1112.3M275 H276 G279 A281 E285 L286 E287M275-R283 HydrophobicContact CE-CG 3.69Å; M275-R283 PolarHBondContact O-NE 3.35Å; M275-R283 PolarHBondContact O-NH2 3.39Å; H276-R283 PolarHBondContact O-NH2 3.17Å; H276-R283 VanDerWaalsContact O-NH2 3.15Å; G279-R283 VanDerWaalsContact O-CB 3.28Å; G279-R283 WeakPolarHBondContact O-CB 3.08Å; G279-R283 PolarHBondContact O-N 2.84Å; A281-R283 VanDerWaalsContact C-N 3.34Å; A281-R283 PolarHBondContact O-N 3.47Å; R283-E285 VanDerWaalsContact C-N 3.34Å; R283-E285 PolarHBondContact O-N 3.26Å; R283-L286 PolarHBondContact O-N 2.95Å; R283-E287 WeakPolarHBondContact O-CG 3.5Å; R283-E287 PolarHBondContact O-N 3.45Å
284K94.7Very high95.1Very high118 Ų11858.8 Ų58.851%0.51329%0.293SS..Hα-helixtrans-63.6-39.6179.3-172.1-176.3179.9-170.40111.9R280 A281 L282 E287 H288R280-K284 WeakPolarHBondContact O-CB 3.28Å; R280-K284 PolarHBondContact O-N 3.33Å; R280-K284 VanDerWaalsContact O-N 3.13Å; A281-K284 PolarHBondContact O-N 2.55Å; L282-K284 VanDerWaalsContact C-N 3.33Å; L282-K284 PolarHBondContact O-N 3.42Å; K284-E287 PolarHBondContact O-N 2.94Å; K284-H288 PolarHBondContact O-N 3.23Å
285E95.3Very high95.1Very high52 Ų5259.6 Ų59.624%0.24330%0.297CS..Hα-helixtrans-63-45.7174.9-68.6-58.2136.200111.5A281 L282 R283 E287 H288 E289A281-E285 PolarHBondContact O-N 2.94Å; A281-E285 VanDerWaalsContact O-N 3.08Å; L282-E285 PolarHBondContact O-N 3.3Å; L282-E285 VanDerWaalsContact O-N 3.17Å; R283-E285 VanDerWaalsContact C-N 3.34Å; R283-E285 PolarHBondContact O-N 3.26Å; E285-E287 VanDerWaalsContact C-N 3.31Å; E285-E287 PolarHBondContact O-N 3.44Å; E285-H288 WeakPolarHBondContact O-CB 3.47Å; E285-H288 PolarHBondContact O-N 2.79Å; E285-H288 VanDerWaalsContact O-N 3.15Å; E285-E289 WeakPolarHBondContact O-CG 3.49Å; E285-E289 PolarHBondContact O-N 3.47Å
286L96.2Very high95.2Very high1 Ų158.2 Ų58.21%0.00529%0.29CS..Hα-helixtrans-61.2-38.9176.5-65.9174.4000112Y251 M275 L282 R283 E289 S290Y251-L286 HydrophobicContact CD1-CB 4.48Å; Y251-L286 HydrophobicContact CD1-CD1 4.27Å; Y251-L286 HydrophobicContact CD1-CD2 3.6Å; Y251-L286 HydrophobicContact CD1-CG 4.32Å; Y251-L286 HydrophobicContact CD2-CD1 4Å; Y251-L286 HydrophobicContact CE1-CB 4.34Å; Y251-L286 HydrophobicContact CE1-CD2 4.15Å; Y251-L286 HydrophobicContact CG-CD1 3.82Å; Y251-L286 HydrophobicContact CG-CD2 3.96Å; Y251-L286 HydrophobicContact CG-CG 4.37Å; M275-L286 HydrophobicContact CE-CB 4.39Å; M275-L286 HydrophobicContact CE-CD1 4.48Å; M275-L286 HydrophobicContact SD-CD1 3.64Å; L282-L286 HydrophobicContact CD1-CD1 4.36Å; L282-L286 HydrophobicContact CD1-CD2 4.38Å; L282-L286 HydrophobicContact CD1-CG 4.07Å; L282-L286 HydrophobicContact CG-CD1 4.15Å; L282-L286 HydrophobicContact CG-CG 4.34Å; L282-L286 WeakPolarHBondContact O-CG 3.5Å; L282-L286 PolarHBondContact O-N 3.38Å; R283-L286 PolarHBondContact O-N 2.95Å; L286-E289 PolarHBondContact O-N 2.92Å; L286-S290 WeakPolarHBondContact O-CB 3.49Å; L286-S290 PolarHBondContact O-N 3.28Å; L286-S290 PolarHBondContact O-OG 2.82Å
287E95.3Very high95.3Very high107 Ų10751.7 Ų51.750%0.526%0.261SS..Hα-helixtrans-62-43.5173.7-72.7167.3-174.400112R283 K284 E285 H291R283-E287 WeakPolarHBondContact O-CG 3.5Å; R283-E287 PolarHBondContact O-N 3.45Å; K284-E287 PolarHBondContact O-N 2.94Å; E285-E287 VanDerWaalsContact C-N 3.31Å; E285-E287 PolarHBondContact O-N 3.44Å; E287-H291 WeakPolarHBondContact O-CB 3.34Å; E287-H291 PolarHBondContact O-N 2.75Å
288H95.6Very high95.5Very high39 Ų3953.5 Ų53.518%0.18126%0.264CS..Hα-helixtrans-63.3-45174.3-71.7173.8000112K284 E285 H291 L292 F325K284-H288 PolarHBondContact O-N 3.23Å; E285-H288 WeakPolarHBondContact O-CB 3.47Å; E285-H288 PolarHBondContact O-N 2.79Å; E285-H288 VanDerWaalsContact O-N 3.15Å; H288-H291 PolarHBondContact O-N 2.99Å; H288-L292 WeakPolarHBondContact O-CB 3.12Å; H288-L292 PolarHBondContact O-N 3.46Å; H288-F325 HydrophobicContact CB-CZ 4.22Å
289E96.4Very high95.7Very high2 Ų252.6 Ų52.61%0.00926%0.258CS..Hα-helixtrans-61-48178.5-70.8-176.1-169.900111.2H248 W252 E285 L286 H291 L292 V293 R333 P335H248-E289 IonicContact CD2-OE1 3.64Å; H248-E289 IonicContact CD2-OE2 2.77Å; H248-E289 IonicContact CE1-OE2 3.52Å; H248-E289 VanDerWaalsContact NE2-CD 3.28Å; H248-E289 IonicContact NE2-OE1 2.76Å; H248-E289 PolarHBondContact NE2-OE1 3.05Å; H248-E289 IonicContact NE2-OE2 2.99Å; H248-E289 PolarHBondContact NE2-OE2 3.48Å; W252-E289 HydrophobicContact CZ2-CB 3.75Å; W252-E289 WeakPolarHBondContact CZ2-OE2 3.41Å; W252-E289 PolarHBondContact NE1-OE2 3.37Å; E285-E289 WeakPolarHBondContact O-CG 3.49Å; E285-E289 PolarHBondContact O-N 3.47Å; L286-E289 PolarHBondContact O-N 2.92Å; E289-H291 VanDerWaalsContact C-N 3.31Å; E289-H291 PolarHBondContact O-N 3.26Å; E289-L292 PolarHBondContact O-N 3.26Å; E289-V293 VanDerWaalsContact O-CG2 3.31Å; E289-V293 WeakPolarHBondContact O-CG2 3.33Å; E289-V293 PolarHBondContact O-N 2.83Å; E289-R333 HydrophobicContact CG-CB 4.41Å; E289-R333 WeakPolarHBondContact CG-O 3.45Å; E289-R333 WeakPolarHBondContact OE1-CB 3.47Å; E289-P335 HydrophobicContact CB-CG 4.31Å
290S95.6Very high95.8Very high17 Ų1751.1 Ų51.112%0.11924%0.242CC..Hα-helixtrans-61-38.9177.7-710000112.1Y251 L286 V293 Q294Y251-S290 PolarHBondContact OH-OG 3Å; L286-S290 WeakPolarHBondContact O-CB 3.49Å; L286-S290 PolarHBondContact O-N 3.28Å; L286-S290 PolarHBondContact O-OG 2.82Å; S290-V293 PolarHBondContact O-N 3.43Å; S290-Q294 VanDerWaalsContact O-CG 3.24Å; S290-Q294 WeakPolarHBondContact O-CG 3.48Å; S290-Q294 PolarHBondContact O-N 3.25Å
291H96.4Very high95.9Very high87 Ų8743.8 Ų43.840%0.40322%0.217SC..Hα-helixtrans-66.2-44.2173.8-171.556000112.4E287 H288 E289 V293 Q294 L295 F325E287-H291 WeakPolarHBondContact O-CB 3.34Å; E287-H291 PolarHBondContact O-N 2.75Å; H288-H291 PolarHBondContact O-N 2.99Å; E289-H291 VanDerWaalsContact C-N 3.31Å; E289-H291 PolarHBondContact O-N 3.26Å; H291-V293 VanDerWaalsContact C-N 3.34Å; H291-V293 PolarHBondContact O-N 3.21Å; H291-Q294 WeakPolarHBondContact O-CB 3.23Å; H291-Q294 PolarHBondContact O-N 3.02Å; H291-L295 WeakPolarHBondContact O-CG 3.5Å; H291-L295 PolarHBondContact O-N 3.29Å; H291-L295 VanDerWaalsContact O-N 3.11Å; H291-F325 HydrophobicContact CB-CE2 4.48Å; H291-F325 AromaticContact CD2-CD2 3.54Å; H291-F325 AromaticContact CD2-CE2 3.64Å
292L96.8Very high96Very high1 Ų144.5 Ų44.51%0.00521%0.206CC..Hα-helixtrans-60.6-43.9176.3178.360.7000111.4H288 E289 Q294 L295 L296 I322 F325 F326 C332 L334 F364H288-L292 WeakPolarHBondContact O-CB 3.12Å; H288-L292 PolarHBondContact O-N 3.46Å; E289-L292 PolarHBondContact O-N 3.26Å; L292-Q294 PolarHBondContact O-N 3.49Å; L292-L295 PolarHBondContact O-N 3.44Å; L292-L296 HydrophobicContact CD1-CG 4.47Å; L292-L296 HydrophobicContact CG-CD1 4.31Å; L292-L296 WeakPolarHBondContact O-CG 3.26Å; L292-L296 PolarHBondContact O-N 2.9Å; L292-I322 HydrophobicContact CD1-CG2 4.14Å; L292-F325 HydrophobicContact CB-CE1 4.26Å; L292-F325 HydrophobicContact CB-CZ 4.26Å; L292-F325 HydrophobicContact CD1-CD1 4.06Å; L292-F325 HydrophobicContact CD1-CE1 4.35Å; L292-F326 HydrophobicContact CD1-CE2 4.27Å; L292-F326 HydrophobicContact CD1-CZ 4.3Å; L292-F326 HydrophobicContact CD2-CZ 4.29Å; L292-C332 HydrophobicContact CD2-CB 4.31Å; L292-L334 HydrophobicContact CD2-CD2 4.21Å; L292-F364 HydrophobicContact CD1-CE1 4.41Å; L292-F364 HydrophobicContact CD2-CE1 4.4Å; L292-F364 HydrophobicContact CD2-CZ 4.45Å
293V96.6Very high96Very high7 Ų743.4 Ų43.44%0.04220%0.2CC..Hα-helixtrans-59.3-45.3175.9169.70000111.3W252 E289 S290 H291 L295 L296 V297 P335 T418 L424W252-V293 HydrophobicContact CH2-CB 4.32Å; W252-V293 HydrophobicContact CH2-CG2 3.72Å; W252-V293 HydrophobicContact CZ2-CG2 4.41Å; W252-V293 HydrophobicContact CZ3-CG2 4.31Å; E289-V293 VanDerWaalsContact O-CG2 3.31Å; E289-V293 WeakPolarHBondContact O-CG2 3.33Å; E289-V293 PolarHBondContact O-N 2.83Å; S290-V293 PolarHBondContact O-N 3.43Å; H291-V293 VanDerWaalsContact C-N 3.34Å; H291-V293 PolarHBondContact O-N 3.21Å; V293-L295 VanDerWaalsContact C-N 3.3Å; V293-L295 PolarHBondContact O-N 3.1Å; V293-L296 PolarHBondContact O-N 3.14Å; V293-V297 HydrophobicContact CG1-CG2 4.17Å; V293-V297 WeakPolarHBondContact O-CB 3.47Å; V293-V297 WeakPolarHBondContact O-CG2 3.46Å; V293-V297 PolarHBondContact O-N 3.38Å; V293-P335 HydrophobicContact CG2-CB 4.49Å; V293-P335 HydrophobicContact CG2-CG 3.44Å; V293-P335 VanDerWaalsContact CG2-CG 3.44Å; V293-T418 HydrophobicContact CG1-CG2 3.85Å; V293-T418 HydrophobicContact CG2-CG2 4.47Å; V293-L424 HydrophobicContact CG2-CD1 4.03Å
294Q96.1Very high95.9Very high107 Ų10743.6 Ų43.650%0.520%0.201SC..Hα-helixtrans-57.2-44176.4-73.21684.200111.7S290 H291 L292 V297 Q298S290-Q294 VanDerWaalsContact O-CG 3.24Å; S290-Q294 WeakPolarHBondContact O-CG 3.48Å; S290-Q294 PolarHBondContact O-N 3.25Å; H291-Q294 WeakPolarHBondContact O-CB 3.23Å; H291-Q294 PolarHBondContact O-N 3.02Å; L292-Q294 PolarHBondContact O-N 3.49Å; Q294-V297 PolarHBondContact O-N 3.45Å; Q294-Q298 WeakPolarHBondContact O-CB 3.21Å; Q294-Q298 WeakPolarHBondContact O-CG 3.39Å; Q294-Q298 PolarHBondContact O-N 3.38Å
295L96.9Very high95.8Very high19 Ų1945.6 Ų45.610%0.09921%0.21CC..Hα-helixtrans-64.3-43.9176.8-64.1176000112H291 L292 V293 Q298 V299 V321 F325H291-L295 WeakPolarHBondContact O-CG 3.5Å; H291-L295 PolarHBondContact O-N 3.29Å; H291-L295 VanDerWaalsContact O-N 3.11Å; L292-L295 PolarHBondContact O-N 3.44Å; V293-L295 VanDerWaalsContact C-N 3.3Å; V293-L295 PolarHBondContact O-N 3.1Å; L295-Q298 PolarHBondContact O-N 2.96Å; L295-V299 WeakPolarHBondContact O-CG2 3.43Å; L295-V299 PolarHBondContact O-N 3.27Å; L295-V299 VanDerWaalsContact O-N 3.07Å; L295-V321 HydrophobicContact CD2-CG1 4.02Å; L295-F325 HydrophobicContact CD1-CB 3.87Å; L295-F325 HydrophobicContact CD1-CD2 4.28Å; L295-F325 HydrophobicContact CD1-CG 4.34Å
296L97.1Very high95.8Very high4 Ų443.8 Ų43.82%0.02120%0.204CC..Hα-helixtrans-59.8-47.8176.9-69.3174.6000111.6L292 V293 V299 A300 I322 V362 F364 C378 L424L292-L296 HydrophobicContact CD1-CG 4.47Å; L292-L296 HydrophobicContact CG-CD1 4.31Å; L292-L296 WeakPolarHBondContact O-CG 3.26Å; L292-L296 PolarHBondContact O-N 2.9Å; V293-L296 PolarHBondContact O-N 3.14Å; L296-V299 PolarHBondContact O-N 2.96Å; L296-A300 WeakPolarHBondContact O-CB 3.36Å; L296-A300 PolarHBondContact O-N 3Å; L296-I322 HydrophobicContact CD2-CD1 3.9Å; L296-I322 HydrophobicContact CD2-CG1 4.35Å; L296-I322 HydrophobicContact CD2-CG2 3.93Å; L296-V362 HydrophobicContact CD2-CB 4.36Å; L296-V362 HydrophobicContact CD2-CG1 4.49Å; L296-V362 HydrophobicContact CD2-CG2 3.72Å; L296-F364 HydrophobicContact CD1-CZ 4.29Å; L296-F364 HydrophobicContact CD2-CZ 4.19Å; L296-C378 HydrophobicContact CB-CB 4.4Å; L296-L424 HydrophobicContact CD1-CD2 4.17Å
297V95.9Very high95.5Very high7 Ų748.8 Ų48.84%0.04223%0.231CC..Hα-helixtrans-62.3-44.2178.2165.90000110.9V293 Q294 V299 A300 Q301 Q422V293-V297 HydrophobicContact CG1-CG2 4.17Å; V293-V297 WeakPolarHBondContact O-CB 3.47Å; V293-V297 WeakPolarHBondContact O-CG2 3.46Å; V293-V297 PolarHBondContact O-N 3.38Å; Q294-V297 PolarHBondContact O-N 3.45Å; V297-V299 VanDerWaalsContact C-N 3.35Å; V297-V299 PolarHBondContact O-N 3.23Å; V297-A300 PolarHBondContact O-N 2.74Å; V297-Q301 HydrophobicContact CG1-CG 4.23Å; V297-Q301 WeakPolarHBondContact O-CB 3.44Å; V297-Q301 VanDerWaalsContact O-CG 3.31Å; V297-Q301 WeakPolarHBondContact O-CG 3.47Å; V297-Q301 PolarHBondContact O-N 3.44Å; V297-Q422 HydrophobicContact CG2-CB 4.5Å
298Q96.1Very high95.2Very high90 Ų9050.9 Ų50.942%0.42124%0.238SC..Hα-helixtrans-59.2-45177.5-77.2173.517.800111.9Q294 L295 K302Q294-Q298 WeakPolarHBondContact O-CB 3.21Å; Q294-Q298 WeakPolarHBondContact O-CG 3.39Å; Q294-Q298 PolarHBondContact O-N 3.38Å; L295-Q298 PolarHBondContact O-N 2.96Å; Q298-K302 WeakPolarHBondContact O-CG 3.35Å; Q298-K302 PolarHBondContact O-N 3.38Å; Q298-K302 VanDerWaalsContact O-N 3.11Å
299V96.6Very high95Very high2 Ų254.2 Ų54.21%0.01226%0.264CS..Hα-helixtrans-66.1-43176.9176.50000110.9L295 L296 V297 K302 I303 E318 I322 L360L295-V299 WeakPolarHBondContact O-CG2 3.43Å; L295-V299 PolarHBondContact O-N 3.27Å; L295-V299 VanDerWaalsContact O-N 3.07Å; L296-V299 PolarHBondContact O-N 2.96Å; V297-V299 VanDerWaalsContact C-N 3.35Å; V297-V299 PolarHBondContact O-N 3.23Å; V299-K302 PolarHBondContact O-N 3.03Å; V299-I303 HydrophobicContact CG1-CD1 4.12Å; V299-I303 WeakPolarHBondContact O-CG1 3.42Å; V299-I303 PolarHBondContact O-N 3.04Å; V299-I303 VanDerWaalsContact O-N 3.15Å; V299-E318 HydrophobicContact CG1-CB 4.01Å; V299-E318 HydrophobicContact CG2-CB 4.21Å; V299-I322 HydrophobicContact CB-CD1 4.32Å; V299-I322 HydrophobicContact CG1-CD1 4.34Å; V299-I322 HydrophobicContact CG2-CD1 4.12Å; V299-I322 HydrophobicContact CG2-CG1 3.96Å; V299-L360 HydrophobicContact CB-CD2 4.03Å; V299-L360 HydrophobicContact CG1-CD1 4.33Å; V299-L360 HydrophobicContact CG1-CD2 3.85Å
300A96.2Very high94.8Very high4 Ų459 Ų593%0.03329%0.286CS..Hα-helixtrans-61.8-43.5177.700000112.2L296 V297 I303 Y304 L360 C378 T380L296-A300 WeakPolarHBondContact O-CB 3.36Å; L296-A300 PolarHBondContact O-N 3Å; V297-A300 PolarHBondContact O-N 2.74Å; A300-I303 PolarHBondContact O-N 2.95Å; A300-Y304 WeakPolarHBondContact O-CB 3.4Å; A300-Y304 PolarHBondContact O-N 3.25Å; A300-L360 HydrophobicContact CB-CB 3.94Å; A300-L360 HydrophobicContact CB-CD2 4.33Å; A300-C378 HydrophobicContact CB-CB 4.38Å; A300-T380 WeakPolarHBondContact CB-OG1 3.23Å
301Q95.6Very high94.7Very high70 Ų7059.5 Ų59.533%0.32729%0.285SS..Hα-helixtrans-59.9-46175.1-77.7173.8-3.600111.9V297 I303 Y304 F305 T380V297-Q301 HydrophobicContact CG1-CG 4.23Å; V297-Q301 WeakPolarHBondContact O-CB 3.44Å; V297-Q301 VanDerWaalsContact O-CG 3.31Å; V297-Q301 WeakPolarHBondContact O-CG 3.47Å; V297-Q301 PolarHBondContact O-N 3.44Å; Q301-I303 PolarHBondContact O-N 2.93Å; Q301-Y304 WeakPolarHBondContact O-CB 3.3Å; Q301-Y304 PolarHBondContact O-N 3.41Å; Q301-Y304 VanDerWaalsContact O-N 3.14Å; Q301-F305 HydrophobicContact CB-CD2 4.45Å; Q301-F305 HydrophobicContact CB-CE2 4.39Å; Q301-F305 WeakPolarHBondContact O-CD2 3.28Å; Q301-F305 PolarHBondContact O-N 3.48Å; Q301-T380 HydrophobicContact CG-CG2 3.55Å
302K95.6Very high94.6Very high96 Ų9661.9 Ų61.942%0.41730%0.295SS..Hα-helixtrans-59-36.7176.4-71.5179.5-170.1-176.40112.1Q298 V299 A306 V314 E318Q298-K302 WeakPolarHBondContact O-CG 3.35Å; Q298-K302 PolarHBondContact O-N 3.38Å; Q298-K302 VanDerWaalsContact O-N 3.11Å; V299-K302 PolarHBondContact O-N 3.03Å; K302-A306 WeakPolarHBondContact O-CB 3.33Å; K302-A306 PolarHBondContact O-N 2.84Å; K302-V314 HydrophobicContact CB-CG1 3.98Å; K302-E318 VanDerWaalsContact CD-CD 3.47Å; K302-E318 HydrophobicContact CD-CG 3.84Å; K302-E318 WeakPolarHBondContact CD-OE2 3.31Å; K302-E318 IonicContact NZ-OE1 2.92Å; K302-E318 IonicContact NZ-OE2 2.61Å; K302-E318 PolarHBondContact NZ-OE2 2.96Å
303I94.9Very high94.5Very high0 Ų067.2 Ų67.20%032%0.323CS..Hα-helixtrans-71.9-42.2175.5-65165.8000111V299 A300 Q301 A306 R311 V314 L315 F352 A358 L360V299-I303 HydrophobicContact CG1-CD1 4.12Å; V299-I303 WeakPolarHBondContact O-CG1 3.42Å; V299-I303 PolarHBondContact O-N 3.04Å; V299-I303 VanDerWaalsContact O-N 3.15Å; A300-I303 PolarHBondContact O-N 2.95Å; Q301-I303 PolarHBondContact O-N 2.93Å; I303-A306 PolarHBondContact O-N 3.22Å; I303-R311 HydrophobicContact CG2-CB 4.3Å; I303-R311 HydrophobicContact CG2-CG 4.24Å; I303-R311 PolarHBondContact O-NE 2.99Å; I303-V314 HydrophobicContact CG1-CG1 4.12Å; I303-L315 HydrophobicContact CD1-CB 4.1Å; I303-L315 HydrophobicContact CD1-CD1 3.87Å; I303-F352 HydrophobicContact CG2-CB 4.27Å; I303-A358 HydrophobicContact CG2-CB 4.41Å; I303-L360 HydrophobicContact CD1-CB 4.5Å; I303-L360 HydrophobicContact CD1-CD1 3.85Å
304Y93.9Very high94.4Very high85 Ų8567.5 Ų67.533%0.33333%0.325SS..Hα-helixtrans-58.2-50-179.6179-92000111.7A300 Q301 A306 R311 A357 T380A300-Y304 WeakPolarHBondContact O-CB 3.4Å; A300-Y304 PolarHBondContact O-N 3.25Å; Q301-Y304 WeakPolarHBondContact O-CB 3.3Å; Q301-Y304 PolarHBondContact O-N 3.41Å; Q301-Y304 VanDerWaalsContact O-N 3.14Å; Y304-A306 VanDerWaalsContact C-N 3.32Å; Y304-A306 PolarHBondContact O-N 3.5Å; Y304-R311 PolarHBondContact O-NH2 2.86Å; Y304-A357 HydrophobicContact CD2-CB 4.3Å; Y304-A357 WeakPolarHBondContact CD2-O 3.22Å; Y304-A357 HydrophobicContact CE2-CB 4.11Å; Y304-T380 WeakPolarHBondContact CD2-O 3.44Å
305F93.8Very high94.4Very high160 Ų16062.8 Ų62.870%0.70230%0.303SS*.Hα-helixtrans-76.5-12.9-179.7-68.2-63.8000114.4Q301Q301-F305 HydrophobicContact CB-CD2 4.45Å; Q301-F305 HydrophobicContact CB-CE2 4.39Å; Q301-F305 WeakPolarHBondContact O-CD2 3.28Å; Q301-F305 PolarHBondContact O-N 3.48Å
306A93.6Very high94.2Very high14 Ų1466 Ų6612%0.11632%0.32CS..SBendtrans-77143.4177.300000112.3K302 I303 Y304 R311 V314K302-A306 WeakPolarHBondContact O-CB 3.33Å; K302-A306 PolarHBondContact O-N 2.84Å; I303-A306 PolarHBondContact O-N 3.22Å; Y304-A306 VanDerWaalsContact C-N 3.32Å; Y304-A306 PolarHBondContact O-N 3.5Å; A306-R311 HydrophobicContact CB-CG 4.13Å; A306-R311 PolarHBondContact O-NE 3.37Å; A306-V314 HydrophobicContact CB-CG2 3.86Å
307D91.1Very high94.1Very high106 Ų10674.1 Ų74.157%0.56735%0.351SS*.  trans-57.5142.6172.7-69.2-36.3000111.4P309 Q310 R311D307-P309 VanDerWaalsContact C-CD 3.45Å; D307-P309 HydrophobicContact CB-CG 4.45Å; D307-P309 VanDerWaalsContact O-N 3.11Å; D307-Q310 HydrophobicContact CB-CG 4.39Å; D307-Q310 WeakPolarHBondContact O-CA 3.43Å; D307-Q310 PolarHBondContact O-N 3Å; D307-R311 PolarHBondContact O-N 2.81Å; D307-R311 VanDerWaalsContact O-N 3.12Å
308K89.1Confident94.1Very high151 Ų15174.6 Ų74.666%0.65735%0.352SS*.THydrogen-bonded Turntrans-42.7-48.4-177.9-71.2-174.9178.9-179.20115.1Q310K308-Q310 VanDerWaalsContact C-N 3.31Å; K308-Q310 PolarHBondContact O-N 3.03Å
309P91.3Very high93.9Very high110 Ų11072.2 Ų72.271%0.71434%0.341SS*.THydrogen-bonded Turntrans-69.5-26178.826.9-35.4000113.8D307D307-P309 VanDerWaalsContact C-CD 3.45Å; D307-P309 HydrophobicContact CB-CG 4.45Å; D307-P309 VanDerWaalsContact O-N 3.11Å
310Q92.8Very high93.8Very high103 Ų10373.7 Ų73.748%0.48136%0.356SS..THydrogen-bonded Turntrans-86.4-21.9-176.9-62.6-174-3.600113.3D307 K308 K312 N313 V314D307-Q310 HydrophobicContact CB-CG 4.39Å; D307-Q310 WeakPolarHBondContact O-CA 3.43Å; D307-Q310 PolarHBondContact O-N 3Å; K308-Q310 VanDerWaalsContact C-N 3.31Å; K308-Q310 PolarHBondContact O-N 3.03Å; Q310-K312 PolarHBondContact O-N 2.73Å; Q310-K312 VanDerWaalsContact O-N 3.07Å; Q310-N313 WeakPolarHBondContact O-CA 3.45Å; Q310-N313 WeakPolarHBondContact O-CB 3.3Å; Q310-N313 PolarHBondContact O-N 3.18Å; Q310-V314 PolarHBondContact O-N 2.84Å
311R93.3Very high93.7Very high27 Ų2775.8 Ų75.810%0.10237%0.369CS..Hα-helixtrans-48.3-39.9-177.6-71.9-179.4178.5-178.2-11.5114.2I303 Y304 A306 D307 V314 L315 F352 N356I303-R311 HydrophobicContact CG2-CB 4.3Å; I303-R311 HydrophobicContact CG2-CG 4.24Å; I303-R311 PolarHBondContact O-NE 2.99Å; Y304-R311 PolarHBondContact O-NH2 2.86Å; A306-R311 HydrophobicContact CB-CG 4.13Å; A306-R311 PolarHBondContact O-NE 3.37Å; D307-R311 PolarHBondContact O-N 2.81Å; D307-R311 VanDerWaalsContact O-N 3.12Å; R311-V314 PolarHBondContact O-N 3.46Å; R311-L315 PolarHBondContact O-N 3.48Å; R311-F352 HydrophobicContact CB-CE1 4.18Å; R311-F352 HydrophobicContact CB-CE2 4.43Å; R311-F352 HydrophobicContact CB-CZ 4.07Å; R311-N356 PolarHBondContact NH1-O 2.99Å; R311-N356 PolarHBondContact NH2-O 3.04Å
312K93.6Very high93.6Very high137 Ų13772.5 Ų72.560%0.59635%0.353SS*.Hα-helixtrans-66.5-40.7177.6-171.2-179.9179.6-173.10112.6Q310 N316 F352Q310-K312 PolarHBondContact O-N 2.73Å; Q310-K312 VanDerWaalsContact O-N 3.07Å; K312-N316 PolarHBondContact O-N 3.5Å; K312-N316 VanDerWaalsContact O-N 3.11Å; K312-N316 PolarHBondContact O-ND2 3.3Å; K312-F352 HydrophobicContact CB-CE1 4.17Å
313N94.3Very high93.5Very high112 Ų11270 Ų7060%0.59934%0.344SS*.Hα-helixtrans-68.6-40.7178-65.5-14.2000110.6Q310 N316 R317Q310-N313 WeakPolarHBondContact O-CA 3.45Å; Q310-N313 WeakPolarHBondContact O-CB 3.3Å; Q310-N313 PolarHBondContact O-N 3.18Å; N313-N316 PolarHBondContact O-N 3.12Å; N313-R317 PolarHBondContact O-N 2.93Å; N313-R317 VanDerWaalsContact O-N 3.07Å
314V95.4Very high93.5Very high13 Ų1375.2 Ų75.28%0.07937%0.369CS..Hα-helixtrans-60-51.6174.51760000110.5K302 I303 A306 Q310 R311 N316 R317 E318K302-V314 HydrophobicContact CB-CG1 3.98Å; I303-V314 HydrophobicContact CG1-CG1 4.12Å; A306-V314 HydrophobicContact CB-CG2 3.86Å; Q310-V314 PolarHBondContact O-N 2.84Å; R311-V314 PolarHBondContact O-N 3.46Å; V314-N316 VanDerWaalsContact C-N 3.31Å; V314-N316 PolarHBondContact O-N 2.89Å; V314-R317 PolarHBondContact O-N 2.83Å; V314-R317 VanDerWaalsContact O-N 3.12Å; V314-E318 HydrophobicContact CG1-CG 3.9Å; V314-E318 WeakPolarHBondContact O-CB 3.49Å; V314-E318 VanDerWaalsContact O-CG 3.24Å; V314-E318 WeakPolarHBondContact O-CG 3.47Å; V314-E318 PolarHBondContact O-N 3.45Å
315L95Very high93.5Very high9 Ų972 Ų725%0.04736%0.357CS..Hα-helixtrans-54.7-46.4177174.563.9000112.2I303 R311 R317 E318 K319 F352 L360I303-L315 HydrophobicContact CD1-CB 4.1Å; I303-L315 HydrophobicContact CD1-CD1 3.87Å; R311-L315 PolarHBondContact O-N 3.48Å; L315-R317 VanDerWaalsContact C-N 3.28Å; L315-R317 PolarHBondContact O-N 3.18Å; L315-E318 PolarHBondContact O-N 3.44Å; L315-K319 HydrophobicContact CD1-CB 4.31Å; L315-K319 VanDerWaalsContact O-CB 3.27Å; L315-K319 WeakPolarHBondContact O-CB 3.43Å; L315-K319 WeakPolarHBondContact O-CG 3.35Å; L315-K319 PolarHBondContact O-N 3.42Å; L315-F352 HydrophobicContact CD2-CD1 4.01Å; L315-L360 HydrophobicContact CD1-CD1 3.61Å
316N94.1Very high93.6Very high86 Ų8665 Ų6546%0.4633%0.326SS..Hα-helixtrans-63.6-33.3-178.9-77.4-22000113.2K312 N313 V314K312-N316 PolarHBondContact O-N 3.5Å; K312-N316 VanDerWaalsContact O-N 3.11Å; K312-N316 PolarHBondContact O-ND2 3.3Å; N313-N316 PolarHBondContact O-N 3.12Å; V314-N316 VanDerWaalsContact C-N 3.31Å; V314-N316 PolarHBondContact O-N 2.89Å
317R94.3Very high93.4Very high175 Ų17570.7 Ų70.766%0.6635%0.348SS*.Hα-helixtrans-77.1-41.6177.3-173.3-179.368-153-1.9112.2N313 V314 L315N313-R317 PolarHBondContact O-N 2.93Å; N313-R317 VanDerWaalsContact O-N 3.07Å; V314-R317 PolarHBondContact O-N 2.83Å; V314-R317 VanDerWaalsContact O-N 3.12Å; L315-R317 VanDerWaalsContact C-N 3.28Å; L315-R317 PolarHBondContact O-N 3.18Å
318E95.3Very high93.2Very high17 Ų1770.8 Ų70.88%0.07936%0.357CS..Hα-helixtrans-90.1-22.5-169.1-57.2-63.2153.300113.6V299 K302 V314 L315 G320 V321V299-E318 HydrophobicContact CG1-CB 4.01Å; V299-E318 HydrophobicContact CG2-CB 4.21Å; K302-E318 VanDerWaalsContact CD-CD 3.47Å; K302-E318 HydrophobicContact CD-CG 3.84Å; K302-E318 WeakPolarHBondContact CD-OE2 3.31Å; K302-E318 IonicContact NZ-OE1 2.92Å; K302-E318 IonicContact NZ-OE2 2.61Å; K302-E318 PolarHBondContact NZ-OE2 2.96Å; V314-E318 HydrophobicContact CG1-CG 3.9Å; V314-E318 WeakPolarHBondContact O-CB 3.49Å; V314-E318 VanDerWaalsContact O-CG 3.24Å; V314-E318 WeakPolarHBondContact O-CG 3.47Å; V314-E318 PolarHBondContact O-N 3.45Å; L315-E318 PolarHBondContact O-N 3.44Å; E318-G320 PolarHBondContact O-N 2.74Å; E318-G320 VanDerWaalsContact O-N 3.09Å; E318-V321 VanDerWaalsContact O-CB 3.32Å; E318-V321 WeakPolarHBondContact O-CB 3.09Å; E318-V321 WeakPolarHBondContact O-CG2 3.47Å; E318-V321 PolarHBondContact O-N 3.43Å
319K92.8Very high93.1Very high39 Ų3966.7 Ų66.717%0.1736%0.358CS..Hα-helixtrans-59.6-25.5-176.266.1178-171.7176.60114.5L315 V321 I322 L347 C350L315-K319 HydrophobicContact CD1-CB 4.31Å; L315-K319 VanDerWaalsContact O-CB 3.27Å; L315-K319 WeakPolarHBondContact O-CB 3.43Å; L315-K319 WeakPolarHBondContact O-CG 3.35Å; L315-K319 PolarHBondContact O-N 3.42Å; K319-V321 VanDerWaalsContact C-N 3.25Å; K319-V321 PolarHBondContact O-N 3.26Å; K319-I322 PolarHBondContact O-N 2.99Å; K319-L347 HydrophobicContact CB-CD2 4.17Å; K319-L347 HydrophobicContact CD-CB 4.42Å; K319-L347 HydrophobicContact CD-CD2 4.2Å; K319-L347 HydrophobicContact CG-CD2 4.01Å; K319-L347 PolarHBondContact NZ-O 2.96Å; K319-L347 WeakPolarHBondContact O-CD2 3.49Å; K319-C350 HydrophobicContact CD-CB 4.38Å
320G93.3Very high93.1Very high33 Ų3363.9 Ų63.934%0.3434%0.336SS..Hα-helixtrans-67.4-23.6177.200000113.8E318 I322 D323 E324E318-G320 PolarHBondContact O-N 2.74Å; E318-G320 VanDerWaalsContact O-N 3.09Å; G320-I322 VanDerWaalsContact C-N 3.27Å; G320-I322 PolarHBondContact O-N 3.14Å; G320-D323 PolarHBondContact O-N 2.65Å; G320-E324 PolarHBondContact O-N 2.87Å
321V94.3Very high93.1Very high49 Ų4961.1 Ų61.130%0.29733%0.326SS..Hα-helixtrans-62.9-36.5176.7177.40000111L295 E318 K319 E324L295-V321 HydrophobicContact CD2-CG1 4.02Å; E318-V321 VanDerWaalsContact O-CB 3.32Å; E318-V321 WeakPolarHBondContact O-CB 3.09Å; E318-V321 WeakPolarHBondContact O-CG2 3.47Å; E318-V321 PolarHBondContact O-N 3.43Å; K319-V321 VanDerWaalsContact C-N 3.25Å; K319-V321 PolarHBondContact O-N 3.26Å; V321-E324 PolarHBondContact O-N 3Å
322I94.6Very high93.2Very high0 Ų059.8 Ų59.80%032%0.321CS..Hα-helixtrans-71.7-37179.5-50.3165000110.3L292 L296 V299 K319 G320 E324 F325 F326 V345 L360 V362 F364L292-I322 HydrophobicContact CD1-CG2 4.14Å; L296-I322 HydrophobicContact CD2-CD1 3.9Å; L296-I322 HydrophobicContact CD2-CG1 4.35Å; L296-I322 HydrophobicContact CD2-CG2 3.93Å; V299-I322 HydrophobicContact CB-CD1 4.32Å; V299-I322 HydrophobicContact CG1-CD1 4.34Å; V299-I322 HydrophobicContact CG2-CD1 4.12Å; V299-I322 HydrophobicContact CG2-CG1 3.96Å; K319-I322 PolarHBondContact O-N 2.99Å; G320-I322 VanDerWaalsContact C-N 3.27Å; G320-I322 PolarHBondContact O-N 3.14Å; I322-E324 VanDerWaalsContact C-N 3.33Å; I322-F325 WeakPolarHBondContact O-CB 3.34Å; I322-F326 WeakPolarHBondContact O-CD2 3.42Å; I322-V345 HydrophobicContact CB-CG2 4.28Å; I322-V345 HydrophobicContact CG2-CG2 3.71Å; I322-L360 HydrophobicContact CD1-CD2 4.22Å; I322-V362 HydrophobicContact CD1-CG2 4.19Å; I322-F364 HydrophobicContact CG2-CE1 4.47Å
323D93.4Very high93.3Very high43 Ų4357.5 Ų57.523%0.2331%0.309CS..Hα-helixtrans-71-30.5178.7-171.264.3000112.3G320 F325 F326 V345 L347G320-D323 PolarHBondContact O-N 2.65Å; D323-F325 PolarHBondContact O-N 3.48Å; D323-F326 PolarHBondContact O-N 3.45Å; D323-V345 HydrophobicContact CB-CB 4.43Å; D323-L347 HydrophobicContact CB-CD1 4.31Å; D323-L347 HydrophobicContact CB-CD2 4.1Å; D323-L347 HydrophobicContact CB-CG 4.44Å
324E94.3Very high93.3Very high111 Ų11152.6 Ų52.652%0.51928%0.283SS..Hα-helixtrans-58.8-33.2177.2-171.4141.8-108.100113.6G320 V321 I322 F326 K327G320-E324 PolarHBondContact O-N 2.87Å; V321-E324 PolarHBondContact O-N 3Å; I322-E324 VanDerWaalsContact C-N 3.33Å; E324-F326 PolarHBondContact O-N 2.98Å; E324-K327 HydrophobicContact CB-CD 4.48Å; E324-K327 HydrophobicContact CG-CD 4.26Å; E324-K327 PolarHBondContact O-N 3.12Å; E324-K327 IonicContact OE1-NZ 2.85Å; E324-K327 PolarHBondContact OE1-NZ 3.22Å
325F94.9Very high93.2Very high18 Ų1852.3 Ų52.38%0.07928%0.281CS..THydrogen-bonded Turntrans-54.5-35.3173.5174.5-102.9000112.9H288 H291 L292 L295 I322 D323 I330 C332H288-F325 HydrophobicContact CB-CZ 4.22Å; H291-F325 HydrophobicContact CB-CE2 4.48Å; H291-F325 AromaticContact CD2-CD2 3.54Å; H291-F325 AromaticContact CD2-CE2 3.64Å; L292-F325 HydrophobicContact CB-CE1 4.26Å; L292-F325 HydrophobicContact CB-CZ 4.26Å; L292-F325 HydrophobicContact CD1-CD1 4.06Å; L292-F325 HydrophobicContact CD1-CE1 4.35Å; L295-F325 HydrophobicContact CD1-CB 3.87Å; L295-F325 HydrophobicContact CD1-CD2 4.28Å; L295-F325 HydrophobicContact CD1-CG 4.34Å; I322-F325 WeakPolarHBondContact O-CB 3.34Å; D323-F325 PolarHBondContact O-N 3.48Å; F325-I330 HydrophobicContact CE1-CG2 3.96Å; F325-I330 HydrophobicContact CE2-CG2 4.34Å; F325-I330 HydrophobicContact CZ-CG2 3.77Å; F325-C332 HydrophobicContact CE1-CB 3.68Å; F325-C332 HydrophobicContact CZ-CB 4.05Å
326F94.9Very high93.2Very high11 Ų1152.9 Ų52.95%0.04828%0.284CS..THydrogen-bonded Turntrans-89.3-12.9-175.7-63.8-79.8000113.7L292 I322 D323 E324 S328 G329 I330 C332 V342 K343 V345 F364L292-F326 HydrophobicContact CD1-CE2 4.27Å; L292-F326 HydrophobicContact CD1-CZ 4.3Å; L292-F326 HydrophobicContact CD2-CZ 4.29Å; I322-F326 WeakPolarHBondContact O-CD2 3.42Å; D323-F326 PolarHBondContact O-N 3.45Å; E324-F326 PolarHBondContact O-N 2.98Å; F326-S328 PolarHBondContact O-N 2.65Å; F326-S328 VanDerWaalsContact O-N 3.13Å; F326-G329 PolarHBondContact O-N 3.3Å; F326-I330 VanDerWaalsContact CD1-O 3.31Å; F326-I330 WeakPolarHBondContact CD1-O 3.02Å; F326-C332 HydrophobicContact CE1-CB 4.34Å; F326-V342 HydrophobicContact CE1-CG2 3.93Å; F326-V342 HydrophobicContact CZ-CG2 3.85Å; F326-K343 WeakPolarHBondContact CB-O 3.28Å; F326-K343 WeakPolarHBondContact CD1-O 2.93Å; F326-V345 HydrophobicContact CD2-CG2 3.91Å; F326-V345 HydrophobicContact CE2-CG2 3.66Å; F326-F364 HydrophobicContact CE2-CD1 4.25Å; F326-F364 HydrophobicContact CE2-CE1 4.07Å; F326-F364 HydrophobicContact CZ-CD1 4.12Å; F326-F364 HydrophobicContact CZ-CE1 4.08Å
327K89.3Confident93.2Very high135 Ų13549.9 Ų49.959%0.58727%0.268SS*.THydrogen-bonded Turntrans-60.9-27.5-172.7-73.4-179.5-170.9166.10114.2E324 G329E324-K327 HydrophobicContact CB-CD 4.48Å; E324-K327 HydrophobicContact CG-CD 4.26Å; E324-K327 PolarHBondContact O-N 3.12Å; E324-K327 IonicContact OE1-NZ 2.85Å; E324-K327 PolarHBondContact OE1-NZ 3.22Å; K327-G329 PolarHBondContact O-N 2.93Å
328S87Confident93.1Very high107 Ų10742.8 Ų42.875%0.74825%0.245SC*.THydrogen-bonded Turntrans-80.59.9177.9-57.10000113.6F326 I330F326-S328 PolarHBondContact O-N 2.65Å; F326-S328 VanDerWaalsContact O-N 3.13Å; S328-I330 VanDerWaalsContact C-N 3.28Å
329G87.4Confident92.9Very high66 Ų6645.5 Ų45.568%0.6827%0.27SS*.SBendtrans75.717.2-174.600000113.5F326 K327F326-G329 PolarHBondContact O-N 3.3Å; K327-G329 PolarHBondContact O-N 2.93Å
330I91.3Very high92.9Very high50 Ų5045.3 Ų45.326%0.25627%0.272SS..  trans-69.5130.1176.9-64.8172.3000108.4F325 F326 S328F325-I330 HydrophobicContact CE1-CG2 3.96Å; F325-I330 HydrophobicContact CE2-CG2 4.34Å; F325-I330 HydrophobicContact CZ-CG2 3.77Å; F326-I330 VanDerWaalsContact CD1-O 3.31Å; F326-I330 WeakPolarHBondContact CD1-O 3.02Å; S328-I330 VanDerWaalsContact C-N 3.28Å
331T93.3Very high93Very high45 Ų4544.4 Ų44.428%0.27626%0.26SS..  trans-101152163.254.80000108.9V342 K343T331-V342 WeakPolarHBondContact CA-O 3.26Å; T331-K343 HydrophobicContact CG2-CB 4.13Å
332C94.6Very high93.1Very high0 Ų042 Ų420%025%0.246CC..EExtended strand (participates in β ladder)trans-141.8135.1-179.4-1700000109.9L292 F325 F326 V342L292-C332 HydrophobicContact CD2-CB 4.31Å; F325-C332 HydrophobicContact CE1-CB 3.68Å; F325-C332 HydrophobicContact CZ-CB 4.05Å; F326-C332 HydrophobicContact CE1-CB 4.34Å; C332-V342 HydrophobicContact CB-CG2 4.48Å; C332-V342 PolarHBondContact N-O 2.94Å; C332-V342 VanDerWaalsContact O-CG2 3.23Å; C332-V342 WeakPolarHBondContact O-CG2 3.23Å; C332-V342 PolarHBondContact O-N 3.49Å
333R94.6Very high93.1Very high89 Ų8946.7 Ų46.734%0.33627%0.266SS..EExtended strand (participates in β ladder)trans-68.7163164.5-62.5-59.1-175.1152.3-15110.2E289 P338 A339 V340E289-R333 HydrophobicContact CG-CB 4.41Å; E289-R333 WeakPolarHBondContact CG-O 3.45Å; E289-R333 WeakPolarHBondContact OE1-CB 3.47Å; R333-P338 WeakPolarHBondContact CD-O 3.34Å; R333-P338 PolarHBondContact NH1-O 3Å; R333-A339 PolarHBondContact NH1-O 2.61Å; R333-V340 CarbonylContact C-O 3.58Å; R333-V340 VanDerWaalsContact CA-O 3.31Å; R333-V340 WeakPolarHBondContact CA-O 3.23Å
334L94.3Very high93.1Very high8 Ų845.8 Ų45.84%0.04227%0.265CS..EExtended strand (participates in β ladder)trans-102.2138.2176.4-67.9-177.8000110.8L292 L336 D337 V340 V342 F364 T374 V376L292-L334 HydrophobicContact CD2-CD2 4.21Å; L334-L336 PolarHBondContact O-N 3.28Å; L334-D337 CarbonylContact O-C 3.6Å; L334-D337 PolarHBondContact O-N 3Å; L334-D337 VanDerWaalsContact O-O 3.11Å; L334-V340 HydrophobicContact CD1-CG1 3.85Å; L334-V340 HydrophobicContact CG-CG1 4.33Å; L334-V340 PolarHBondContact N-O 3.48Å; L334-V340 VanDerWaalsContact N-O 3.09Å; L334-V342 HydrophobicContact CD1-CG1 4.02Å; L334-V342 HydrophobicContact CD2-CG1 4.3Å; L334-V342 HydrophobicContact CD2-CG2 3.87Å; L334-V342 HydrophobicContact CG-CG1 4.07Å; L334-V342 HydrophobicContact CG-CG2 4.35Å; L334-F364 HydrophobicContact CD1-CD2 4.43Å; L334-F364 HydrophobicContact CD2-CD2 4.31Å; L334-F364 HydrophobicContact CD2-CE2 4.19Å; L334-T374 HydrophobicContact CD1-CG2 3.68Å; L334-V376 HydrophobicContact CD1-CG2 3.99Å
335P94.9Very high93.2Very high8 Ų840.9 Ų40.95%0.05224%0.242CC..THydrogen-bonded Turntrans-55.1-26.3176.1-2833.3000114.8H248 W252 E289 V293 V416 L424H248-P335 PolarHBondContact CE1-O 3.29Å; H248-P335 VanDerWaalsContact CE1-O 3.32Å; W252-P335 HydrophobicContact CD2-CB 4.08Å; W252-P335 HydrophobicContact CH2-CB 4.27Å; W252-P335 HydrophobicContact CH2-CG 4Å; W252-P335 HydrophobicContact CZ2-CB 3.69Å; W252-P335 HydrophobicContact CZ2-CG 3.55Å; E289-P335 HydrophobicContact CB-CG 4.31Å; V293-P335 HydrophobicContact CG2-CB 4.49Å; V293-P335 HydrophobicContact CG2-CG 3.44Å; V293-P335 VanDerWaalsContact CG2-CG 3.44Å; P335-V416 HydrophobicContact CB-CG1 4.13Å; P335-L424 HydrophobicContact CB-CD1 4.13Å; P335-L424 HydrophobicContact CG-CD1 3.88Å
336L94.8Very high93.2Very high21 Ų2141.8 Ų41.811%0.1125%0.248CC..THydrogen-bonded Turntrans-74.6-31.8177.7-69.4168.7000111.9L334 V376 R414 V416 L424 E426L334-L336 PolarHBondContact O-N 3.28Å; L336-V376 HydrophobicContact CD1-CB 4.42Å; L336-V376 HydrophobicContact CD1-CG1 3.78Å; L336-V376 HydrophobicContact CD1-CG2 3.92Å; L336-R414 HydrophobicContact CB-CB 4.29Å; L336-R414 HydrophobicContact CD2-CB 3.92Å; L336-R414 WeakPolarHBondContact O-CD 3.31Å; L336-V416 HydrophobicContact CD2-CB 4.32Å; L336-V416 HydrophobicContact CD2-CG1 3.79Å; L336-V416 HydrophobicContact CG-CG1 4.33Å; L336-L424 HydrophobicContact CD1-CB 4.12Å; L336-L424 HydrophobicContact CD2-CB 4.22Å; L336-L424 HydrophobicContact CG-CB 4.11Å; L336-E426 HydrophobicContact CD1-CB 4.29Å
337D92.7Very high93.1Very high23 Ų2343.6 Ų43.612%0.12326%0.258CS..EExtended strand (participates in β ladder)trans-153.9110.5-177.6-169.3-8.5000111.2L334 A339 V340 R414L334-D337 CarbonylContact O-C 3.6Å; L334-D337 PolarHBondContact O-N 3Å; L334-D337 VanDerWaalsContact O-O 3.11Å; D337-A339 PolarHBondContact O-N 3.22Å; D337-A339 VanDerWaalsContact OD1-CB 3.25Å; D337-A339 WeakPolarHBondContact OD1-CB 3.37Å; D337-A339 PolarHBondContact OD1-N 3.49Å; D337-V340 HydrophobicContact CB-CB 4.26Å; D337-V340 HydrophobicContact CB-CG2 3.8Å; D337-V340 PolarHBondContact O-N 2.88Å; D337-R414 VanDerWaalsContact CB-NH1 3.29Å; D337-R414 VanDerWaalsContact CG-CZ 3.41Å; D337-R414 IonicContact OD1-NH2 2.78Å; D337-R414 PolarHBondContact OD1-NH2 3.37Å; D337-R414 IonicContact OD2-CZ 3.62Å; D337-R414 IonicContact OD2-NH1 3.85Å; D337-R414 PolarHBondContact OD2-NH1 2.99Å; D337-R414 IonicContact OD2-NH2 3.77Å; D337-R414 PolarHBondContact OD2-NH2 3.3Å
338P92.5Very high93.2Very high26 Ų2644.3 Ų44.317%0.16927%0.268CS..EExtended strand (participates in β ladder)trans-64.8-14178.327.2-33.7000112.6R245 H248 R333 V340R245-P338 HydrophobicContact CG-CG 4.4Å; H248-P338 HydrophobicContact CB-CB 4.34Å; H248-P338 HydrophobicContact CB-CG 4.33Å; R333-P338 WeakPolarHBondContact CD-O 3.34Å; R333-P338 PolarHBondContact NH1-O 3Å; P338-V340 VanDerWaalsContact C-N 3.32Å
339A92.4Very high93.5Very high73 Ų7343.7 Ų43.760%0.60325%0.252SS*.EExtended strand (participates in β ladder)trans-76.1-18.2173.200000113.4R333 D337R333-A339 PolarHBondContact NH1-O 2.61Å; D337-A339 PolarHBondContact O-N 3.22Å; D337-A339 VanDerWaalsContact OD1-CB 3.25Å; D337-A339 WeakPolarHBondContact OD1-CB 3.37Å; D337-A339 PolarHBondContact OD1-N 3.49Å
340V92.9Very high93.9Very high36 Ų3641.2 Ų41.222%0.21822%0.224CC..EExtended strand (participates in β ladder)trans-97109.5-175.3-179.90000110.5R333 L334 D337 P338 V342 T374R333-V340 CarbonylContact C-O 3.58Å; R333-V340 VanDerWaalsContact CA-O 3.31Å; R333-V340 WeakPolarHBondContact CA-O 3.23Å; L334-V340 HydrophobicContact CD1-CG1 3.85Å; L334-V340 HydrophobicContact CG-CG1 4.33Å; L334-V340 PolarHBondContact N-O 3.48Å; L334-V340 VanDerWaalsContact N-O 3.09Å; D337-V340 HydrophobicContact CB-CB 4.26Å; D337-V340 HydrophobicContact CB-CG2 3.8Å; D337-V340 PolarHBondContact O-N 2.88Å; P338-V340 VanDerWaalsContact C-N 3.32Å; V340-V342 HydrophobicContact CG1-CG1 4.35Å; V340-T374 HydrophobicContact CG1-CG2 3.88Å
341S94.5Very high94Very high13 Ų1343.8 Ų43.89%0.09123%0.233CC..EExtended strand (participates in β ladder)trans-99.4133174-174.70000111.4C366 E367S341-C366 VanDerWaalsContact O-CA 3.3Å; S341-C366 WeakPolarHBondContact O-CA 3.33Å; S341-C366 WeakPolarHBondContact O-CB 3.21Å; S341-E367 WeakPolarHBondContact CB-OE2 3.13Å; S341-E367 PolarHBondContact O-N 2.91Å; S341-E367 PolarHBondContact OG-OE2 3.02Å
342V95.8Very high94.1Very high0 Ų044.7 Ų44.70%023%0.234CC..EExtended strand (participates in β ladder)trans-121.4146.3179.6-60.40000111.7F326 T331 C332 L334 V340 F364 T374F326-V342 HydrophobicContact CE1-CG2 3.93Å; F326-V342 HydrophobicContact CZ-CG2 3.85Å; T331-V342 WeakPolarHBondContact CA-O 3.26Å; C332-V342 HydrophobicContact CB-CG2 4.48Å; C332-V342 PolarHBondContact N-O 2.94Å; C332-V342 VanDerWaalsContact O-CG2 3.23Å; C332-V342 WeakPolarHBondContact O-CG2 3.23Å; C332-V342 PolarHBondContact O-N 3.49Å; L334-V342 HydrophobicContact CD1-CG1 4.02Å; L334-V342 HydrophobicContact CD2-CG1 4.3Å; L334-V342 HydrophobicContact CD2-CG2 3.87Å; L334-V342 HydrophobicContact CG-CG1 4.07Å; L334-V342 HydrophobicContact CG-CG2 4.35Å; V340-V342 HydrophobicContact CG1-CG1 4.35Å; V342-F364 HydrophobicContact CB-CB 3.84Å; V342-F364 HydrophobicContact CB-CD1 4.33Å; V342-F364 HydrophobicContact CB-CG 4.26Å; V342-F364 HydrophobicContact CG1-CB 3.47Å; V342-F364 VanDerWaalsContact CG1-CB 3.47Å; V342-F364 HydrophobicContact CG1-CG 4.05Å; V342-F364 HydrophobicContact CG2-CB 4.38Å; V342-F364 HydrophobicContact CG2-CD1 4.04Å; V342-F364 HydrophobicContact CG2-CG 4.26Å; V342-T374 HydrophobicContact CG1-CG2 3.79Å
343K94.9Very high93.8Very high97 Ų9747.9 Ų47.942%0.42225%0.246SC..EExtended strand (participates in β ladder)trans-123.4-10.2-176.267.3177.7169.6-151.60115.1F326 T331 I365 C366 E367F326-K343 WeakPolarHBondContact CB-O 3.28Å; F326-K343 WeakPolarHBondContact CD1-O 2.93Å; T331-K343 HydrophobicContact CG2-CB 4.13Å; K343-I365 PolarHBondContact N-O 3.35Å; K343-C366 VanDerWaalsContact CE-O 3.28Å; K343-C366 WeakPolarHBondContact CE-O 3.47Å; K343-E367 PolarHBondContact NZ-O 3.16Å
344A94.9Very high93.1Very high24 Ų2449.5 Ų49.520%0.19827%0.271CS..EExtended strand (participates in β ladder)trans-166.1167.5-179.500000111.6F364 I365A344-F364 WeakPolarHBondContact O-CA 3.28Å; A344-I365 HydrophobicContact CB-CB 4.27Å; A344-I365 HydrophobicContact CB-CD1 4.11Å; A344-I365 PolarHBondContact O-N 3.38Å
345V95.4Very high92.3Very high8 Ų851.9 Ų51.95%0.04829%0.288CS..EExtended strand (participates in β ladder)trans-103.2136.4174.7-174.60000110.6I322 D323 F326 L347 V362 F364I322-V345 HydrophobicContact CB-CG2 4.28Å; I322-V345 HydrophobicContact CG2-CG2 3.71Å; D323-V345 HydrophobicContact CB-CB 4.43Å; F326-V345 HydrophobicContact CD2-CG2 3.91Å; F326-V345 HydrophobicContact CE2-CG2 3.66Å; V345-L347 HydrophobicContact CB-CD2 4.38Å; V345-L347 HydrophobicContact CG1-CD2 4.03Å; V345-L347 PolarHBondContact O-N 3.04Å; V345-V362 HydrophobicContact CG1-CG1 3.78Å; V345-F364 HydrophobicContact CG2-CD1 4.05Å; V345-F364 HydrophobicContact CG2-CE1 3.97Å
346N94.8Very high91.4Very high37 Ų3758.2 Ų58.220%0.19832%0.322CS..  trans-85.187.4167.4-169.9-45.4000109.8D348 K349 C350 T363 I365N346-D348 PolarHBondContact O-N 3.42Å; N346-D348 VanDerWaalsContact O-N 3.14Å; N346-D348 PolarHBondContact OD1-N 3.26Å; N346-K349 HydrophobicContact CB-CB 4.38Å; N346-K349 PolarHBondContact O-N 2.94Å; N346-K349 PolarHBondContact OD1-N 2.85Å; N346-C350 PolarHBondContact O-N 2.94Å; N346-T363 HydrophobicContact CB-CG2 4.14Å; N346-T363 WeakPolarHBondContact CB-O 3.45Å; N346-T363 PolarHBondContact N-O 2.84Å; N346-I365 HydrophobicContact CB-CG1 4.35Å
347L92.9Very high90.8Very high49 Ų4958 Ų5826%0.25732%0.323SS..THydrogen-bonded Turntrans-59.1-25.5-175.1-67.6178.7000114.5K319 D323 V345K319-L347 HydrophobicContact CB-CD2 4.17Å; K319-L347 HydrophobicContact CD-CB 4.42Å; K319-L347 HydrophobicContact CD-CD2 4.2Å; K319-L347 HydrophobicContact CG-CD2 4.01Å; K319-L347 PolarHBondContact NZ-O 2.96Å; K319-L347 WeakPolarHBondContact O-CD2 3.49Å; D323-L347 HydrophobicContact CB-CD1 4.31Å; D323-L347 HydrophobicContact CB-CD2 4.1Å; D323-L347 HydrophobicContact CB-CG 4.44Å; V345-L347 HydrophobicContact CB-CD2 4.38Å; V345-L347 HydrophobicContact CG1-CD2 4.03Å; V345-L347 PolarHBondContact O-N 3.04Å
348D92.4Very high90.7Very high151 Ų15157 Ų5781%0.80732%0.318SS*.THydrogen-bonded Turntrans-76.2-26.2179.1-67-30.4000112.5N346N346-D348 PolarHBondContact O-N 3.42Å; N346-D348 VanDerWaalsContact O-N 3.14Å; N346-D348 PolarHBondContact OD1-N 3.26Å
349K92.8Very high90.8Very high94 Ų9456.3 Ų56.341%0.40931%0.313SS..THydrogen-bonded Turntrans-93.2-10.2179.2-71.2-175.6177.8-178.40113.6N346 K351 T363N346-K349 HydrophobicContact CB-CB 4.38Å; N346-K349 PolarHBondContact O-N 2.94Å; N346-K349 PolarHBondContact OD1-N 2.85Å; K349-K351 PolarHBondContact O-N 3.14Å; K349-T363 HydrophobicContact CB-CG2 4.34Å; K349-T363 HydrophobicContact CD-CG2 3.9Å
350C94.4Very high91Very high14 Ų1452.8 Ų52.810%0.09529%0.285CS..  trans-58.7132.3172.3-700000111.1K319 N346 G361K319-C350 HydrophobicContact CD-CB 4.38Å; N346-C350 PolarHBondContact O-N 2.94Å; C350-G361 WeakPolarHBondContact CA-O 3.14Å
351K94.8Very high91.2Very high103 Ų10351.2 Ų51.245%0.44828%0.276SS..EExtended strand (participates in β ladder)trans-148.9169.8-17763.2-176.1178.2-178.40110.6K349 Y353 G361K349-K351 PolarHBondContact O-N 3.14Å; K351-Y353 WeakPolarHBondContact CE-OH 2.95Å; K351-G361 PolarHBondContact N-O 2.92Å; K351-G361 WeakPolarHBondContact O-CA 3.17Å; K351-G361 PolarHBondContact O-N 3.16Å
352F94Very high91.3Very high64 Ų6450.8 Ų50.828%0.28127%0.272SS..EExtended strand (participates in β ladder)trans-115.9147.1160.266-90.4000108.7I303 R311 K312 L315 A358 P359I303-F352 HydrophobicContact CG2-CB 4.27Å; R311-F352 HydrophobicContact CB-CE1 4.18Å; R311-F352 HydrophobicContact CB-CE2 4.43Å; R311-F352 HydrophobicContact CB-CZ 4.07Å; K312-F352 HydrophobicContact CB-CE1 4.17Å; L315-F352 HydrophobicContact CD2-CD1 4.01Å; F352-A358 HydrophobicContact CD2-CB 3.99Å; F352-P359 VanDerWaalsContact CA-O 3.28Å; F352-P359 WeakPolarHBondContact CA-O 3.33Å
353Y90.2Very high91.3Very high68 Ų6851.3 Ų51.327%0.26728%0.276SS..  trans-81.6145.8177.9-67.5-101000110.3K351 S355 A358 P359 I377K351-Y353 WeakPolarHBondContact CE-OH 2.95Å; Y353-S355 PolarHBondContact O-N 3.26Å; Y353-A358 WeakPolarHBondContact O-CA 3.27Å; Y353-P359 HydrophobicContact CD2-CG 4.25Å; Y353-P359 HydrophobicContact CG-CG 4.45Å; Y353-P359 PolarHBondContact N-O 3.08Å; Y353-I377 HydrophobicContact CD2-CD1 4.45Å; Y353-I377 HydrophobicContact CD2-CG2 4.3Å; Y353-I377 HydrophobicContact CE1-CD1 4.27Å; Y353-I377 HydrophobicContact CE2-CD1 3.75Å; Y353-I377 HydrophobicContact CE2-CG1 3.76Å; Y353-I377 HydrophobicContact CE2-CG2 4.15Å
354S78.8Confident91.3Very high123 Ų12346.7 Ų46.786%0.8626%0.256SS*.SBendtrans-80.955-176.654.20000112.8
355S78.6Confident91.3Very high57 Ų5748.2 Ų48.240%0.39926%0.26SS..SBendtrans-107.9175.2171.473.10000111Y353 A358 P359Y353-S355 PolarHBondContact O-N 3.26Å; S355-A358 PolarHBondContact O-N 3.47Å; S355-A358 PolarHBondContact OG-N 3.3Å; S355-P359 WeakPolarHBondContact OG-CD 3.39Å
356N74.9Confident91.3Very high141 Ų14148.3 Ų48.375%0.75426%0.261SS*.SBendtrans-59.4-48176.9-77-20.9000111.8R311 A358R311-N356 PolarHBondContact NH1-O 2.99Å; R311-N356 PolarHBondContact NH2-O 3.04Å; N356-A358 VanDerWaalsContact C-N 3.27Å; N356-A358 PolarHBondContact O-N 2.94Å
357A81.9Confident91.2Very high17 Ų1751 Ų5114%0.1427%0.272CS..SBendtrans-72.8-15.3177.400000113.9Y304Y304-A357 HydrophobicContact CD2-CB 4.3Å; Y304-A357 WeakPolarHBondContact CD2-O 3.22Å; Y304-A357 HydrophobicContact CE2-CB 4.11Å
358A90.4Very high90.9Very high2 Ų252.8 Ų52.82%0.01728%0.282CS..  trans44.659179.700000114.9I303 F352 Y353 S355 N356I303-A358 HydrophobicContact CG2-CB 4.41Å; F352-A358 HydrophobicContact CD2-CB 3.99Å; Y353-A358 WeakPolarHBondContact O-CA 3.27Å; S355-A358 PolarHBondContact O-N 3.47Å; S355-A358 PolarHBondContact OG-N 3.3Å; N356-A358 VanDerWaalsContact C-N 3.27Å; N356-A358 PolarHBondContact O-N 2.94Å
359P94.3Very high90.5Very high11 Ų1150.5 Ų50.57%0.07128%0.278CS..PPolyproline II helixtrans-64.3149.2-174.829.6-36000111.6F352 Y353 S355 I377 C378 K379F352-P359 VanDerWaalsContact CA-O 3.28Å; F352-P359 WeakPolarHBondContact CA-O 3.33Å; Y353-P359 HydrophobicContact CD2-CG 4.25Å; Y353-P359 HydrophobicContact CG-CG 4.45Å; Y353-P359 PolarHBondContact N-O 3.08Å; S355-P359 WeakPolarHBondContact OG-CD 3.39Å; P359-I377 HydrophobicContact CB-CG2 3.77Å; P359-I377 HydrophobicContact CG-CG2 4.13Å; P359-C378 WeakPolarHBondContact CB-O 3.21Å; P359-K379 HydrophobicContact CB-CB 4.45Å; P359-K379 HydrophobicContact CB-CG 3.77Å; P359-K379 HydrophobicContact CG-CG 4.43Å
360L96.9Very high90.1Very high0 Ų053.2 Ų53.20%030%0.296CS..EExtended strand (participates in β ladder)trans-80.3125.6-177.5172.468.1000109.9V299 A300 I303 L315 I322 V362 I377 C378V299-L360 HydrophobicContact CB-CD2 4.03Å; V299-L360 HydrophobicContact CG1-CD1 4.33Å; V299-L360 HydrophobicContact CG1-CD2 3.85Å; A300-L360 HydrophobicContact CB-CB 3.94Å; A300-L360 HydrophobicContact CB-CD2 4.33Å; I303-L360 HydrophobicContact CD1-CB 4.5Å; I303-L360 HydrophobicContact CD1-CD1 3.85Å; L315-L360 HydrophobicContact CD1-CD1 3.61Å; I322-L360 HydrophobicContact CD1-CD2 4.22Å; L360-V362 HydrophobicContact CD1-CG2 4.16Å; L360-V362 HydrophobicContact CD2-CG2 3.79Å; L360-V362 HydrophobicContact CG-CG2 3.7Å; L360-I377 CarbonylContact O-C 3.48Å; L360-I377 VanDerWaalsContact O-CA 3.31Å; L360-I377 WeakPolarHBondContact O-CA 3.27Å; L360-C378 HydrophobicContact CB-CB 4.25Å; L360-C378 HydrophobicContact CD2-CB 4.48Å; L360-C378 PolarHBondContact N-O 3.46Å; L360-C378 PolarHBondContact O-N 2.81Å
361G97Very high89.3Confident3 Ų354.6 Ų54.63%0.03131%0.308CS..EExtended strand (participates in β ladder)trans-102.9121.8169.500000110.9C350 K351 V376C350-G361 WeakPolarHBondContact CA-O 3.14Å; K351-G361 PolarHBondContact N-O 2.92Å; K351-G361 WeakPolarHBondContact O-CA 3.17Å; K351-G361 PolarHBondContact O-N 3.16Å; G361-V376 WeakPolarHBondContact CA-O 3.43Å
362V96.7Very high88.5Confident3 Ų357.9 Ų57.92%0.01832%0.323CS..EExtended strand (participates in β ladder)trans-118.6132.7178.4-173.10000109.4L296 I322 V345 L360 F364 S375 V376L296-V362 HydrophobicContact CD2-CB 4.36Å; L296-V362 HydrophobicContact CD2-CG1 4.49Å; L296-V362 HydrophobicContact CD2-CG2 3.72Å; I322-V362 HydrophobicContact CD1-CG2 4.19Å; V345-V362 HydrophobicContact CG1-CG1 3.78Å; L360-V362 HydrophobicContact CD1-CG2 4.16Å; L360-V362 HydrophobicContact CD2-CG2 3.79Å; L360-V362 HydrophobicContact CG-CG2 3.7Å; V362-F364 HydrophobicContact CB-CE2 4.07Å; V362-F364 HydrophobicContact CB-CZ 4.22Å; V362-F364 HydrophobicContact CG1-CD1 4.42Å; V362-F364 HydrophobicContact CG1-CD2 4.27Å; V362-F364 HydrophobicContact CG1-CE1 3.96Å; V362-F364 HydrophobicContact CG1-CE2 3.79Å; V362-F364 HydrophobicContact CG1-CZ 3.63Å; V362-S375 CarbonylContact O-C 3.5Å; V362-S375 VanDerWaalsContact O-CA 3.32Å; V362-S375 WeakPolarHBondContact O-CA 3.39Å; V362-V376 PolarHBondContact N-O 2.69Å; V362-V376 PolarHBondContact O-N 3.24Å
363T96Very high88.4Confident12 Ų1257.7 Ų57.77%0.07433%0.327CS..EExtended strand (participates in β ladder)trans-108.1123.5172.1-61.30000108.6N346 K349 T373 T374 S375N346-T363 HydrophobicContact CB-CG2 4.14Å; N346-T363 WeakPolarHBondContact CB-O 3.45Å; N346-T363 PolarHBondContact N-O 2.84Å; K349-T363 HydrophobicContact CB-CG2 4.34Å; K349-T363 HydrophobicContact CD-CG2 3.9Å; T363-T373 HydrophobicContact CG2-CG2 4.06Å; T363-T374 CarbonylContact C-O 3.55Å; T363-T374 WeakPolarHBondContact CA-O 3.5Å; T363-S375 WeakPolarHBondContact CG2-OG 3.37Å; T363-S375 PolarHBondContact OG1-OG 3.1Å
364F95.9Very high88.5Confident0 Ų056.3 Ų56.30%033%0.325CS..EExtended strand (participates in β ladder)trans-99.4152.9177.1-62.6-83.1000111.3L292 L296 I322 F326 L334 V342 A344 V345 V362 T373 T374 V376L292-F364 HydrophobicContact CD1-CE1 4.41Å; L292-F364 HydrophobicContact CD2-CE1 4.4Å; L292-F364 HydrophobicContact CD2-CZ 4.45Å; L296-F364 HydrophobicContact CD1-CZ 4.29Å; L296-F364 HydrophobicContact CD2-CZ 4.19Å; I322-F364 HydrophobicContact CG2-CE1 4.47Å; F326-F364 HydrophobicContact CE2-CD1 4.25Å; F326-F364 HydrophobicContact CE2-CE1 4.07Å; F326-F364 HydrophobicContact CZ-CD1 4.12Å; F326-F364 HydrophobicContact CZ-CE1 4.08Å; L334-F364 HydrophobicContact CD1-CD2 4.43Å; L334-F364 HydrophobicContact CD2-CD2 4.31Å; L334-F364 HydrophobicContact CD2-CE2 4.19Å; V342-F364 HydrophobicContact CB-CB 3.84Å; V342-F364 HydrophobicContact CB-CD1 4.33Å; V342-F364 HydrophobicContact CB-CG 4.26Å; V342-F364 HydrophobicContact CG1-CB 3.47Å; V342-F364 VanDerWaalsContact CG1-CB 3.47Å; V342-F364 HydrophobicContact CG1-CG 4.05Å; V342-F364 HydrophobicContact CG2-CB 4.38Å; V342-F364 HydrophobicContact CG2-CD1 4.04Å; V342-F364 HydrophobicContact CG2-CG 4.26Å; A344-F364 WeakPolarHBondContact O-CA 3.28Å; V345-F364 HydrophobicContact CG2-CD1 4.05Å; V345-F364 HydrophobicContact CG2-CE1 3.97Å; V362-F364 HydrophobicContact CB-CE2 4.07Å; V362-F364 HydrophobicContact CB-CZ 4.22Å; V362-F364 HydrophobicContact CG1-CD1 4.42Å; V362-F364 HydrophobicContact CG1-CD2 4.27Å; V362-F364 HydrophobicContact CG1-CE1 3.96Å; V362-F364 HydrophobicContact CG1-CE2 3.79Å; V362-F364 HydrophobicContact CG1-CZ 3.63Å; F364-T373 CarbonylContact O-C 3.59Å; F364-T373 WeakPolarHBondContact O-CA 3.41Å; F364-T373 WeakPolarHBondContact O-CB 3.4Å; F364-T374 HydrophobicContact CB-CG2 3.94Å; F364-T374 PolarHBondContact N-O 3.16Å; F364-T374 PolarHBondContact O-N 3.1Å; F364-V376 HydrophobicContact CD2-CG2 4.38Å; F364-V376 HydrophobicContact CE2-CB 4.28Å; F364-V376 HydrophobicContact CE2-CG2 4.17Å
365I94.8Very high89.3Confident56 Ų5652 Ų5229%0.28730%0.296SS..EExtended strand (participates in β ladder)trans-93.7119.6169.5-58.4172.7000106.6K343 A344 N346K343-I365 PolarHBondContact N-O 3.35Å; A344-I365 HydrophobicContact CB-CB 4.27Å; A344-I365 HydrophobicContact CB-CD1 4.11Å; A344-I365 PolarHBondContact O-N 3.38Å; N346-I365 HydrophobicContact CB-CG1 4.35Å
366C94.5Very high90.2Very high10 Ų1049.5 Ų49.57%0.06828%0.278CS..EExtended strand (participates in β ladder)trans-72.3155.2-180-46.20000110.5S341 K343 A371S341-C366 VanDerWaalsContact O-CA 3.3Å; S341-C366 WeakPolarHBondContact O-CA 3.33Å; S341-C366 WeakPolarHBondContact O-CB 3.21Å; K343-C366 VanDerWaalsContact CE-O 3.28Å; K343-C366 WeakPolarHBondContact CE-O 3.47Å; C366-A371 HydrophobicContact CB-CB 4.11Å; C366-A371 WeakPolarHBondContact CB-O 3.23Å; C366-A371 PolarHBondContact SG-O 3.15Å; C366-A371 VanDerWaalsContact SG-O 3.34Å
367E92.4Very high91.2Very high92 Ų9244 Ų4443%0.4325%0.248SC..SBendtrans-64.9-46.2173.2-173.6177.8-16900111S341 K343 S369S341-E367 WeakPolarHBondContact CB-OE2 3.13Å; S341-E367 PolarHBondContact O-N 2.91Å; S341-E367 PolarHBondContact OG-OE2 3.02Å; K343-E367 PolarHBondContact NZ-O 3.16Å; E367-S369 PolarHBondContact O-N 3.4Å
368D88Confident92Very high87 Ų8743.3 Ų43.347%0.46524%0.242SC..SBendtrans-60.8123.6176.3-178.1-0.2000111.5L370 A371D368-L370 PolarHBondContact O-N 3.39Å; D368-L370 PolarHBondContact OD1-N 3.49Å; D368-A371 HydrophobicContact CB-CB 4.37Å; D368-A371 CarbonylContact O-C 3.59Å; D368-A371 PolarHBondContact O-N 3.03Å
369S82.9Confident92.1Very high103 Ų10344.4 Ų44.472%0.7225%0.246SC*.SBendtrans-62.3-25.2178.364.80000114.6E367E367-S369 PolarHBondContact O-N 3.4Å
370L85.4Confident92Very high151 Ų15144.5 Ų44.579%0.79125%0.247SC*.SBendtrans-78.2-37.5178.3-62.3178.5000111.5D368 K372D368-L370 PolarHBondContact O-N 3.39Å; D368-L370 PolarHBondContact OD1-N 3.49Å; L370-K372 PolarHBondContact O-N 3.18Å
371A76.8Confident91.5Very high43 Ų4346.3 Ų46.336%0.35527%0.265SS..SBendtrans-89.486176.900000110.7C366 D368 T373C366-A371 HydrophobicContact CB-CB 4.11Å; C366-A371 WeakPolarHBondContact CB-O 3.23Å; C366-A371 PolarHBondContact SG-O 3.15Å; C366-A371 VanDerWaalsContact SG-O 3.34Å; D368-A371 HydrophobicContact CB-CB 4.37Å; D368-A371 CarbonylContact O-C 3.59Å; D368-A371 PolarHBondContact O-N 3.03Å; A371-T373 PolarHBondContact O-N 3.01Å
372K77.7Confident91Very high172 Ų17249.1 Ų49.175%0.74828%0.28SS*.  trans-58.8-40-171.3-70-174.6179.1179.40115.2L370L370-K372 PolarHBondContact O-N 3.18Å
373T91.6Very high90.5Very high61 Ų6150.9 Ų50.937%0.37429%0.289SS..  trans-156.4149.118055.90000111.9T363 F364 A371T363-T373 HydrophobicContact CG2-CG2 4.06Å; F364-T373 CarbonylContact O-C 3.59Å; F364-T373 WeakPolarHBondContact O-CA 3.41Å; F364-T373 WeakPolarHBondContact O-CB 3.4Å; A371-T373 PolarHBondContact O-N 3.01Å
374T94Very high90.3Very high38 Ų3850.3 Ų50.323%0.23329%0.286CS..EExtended strand (participates in β ladder)trans-124.2154.6169.4-173.50000110.5L334 V340 V342 T363 F364L334-T374 HydrophobicContact CD1-CG2 3.68Å; V340-T374 HydrophobicContact CG1-CG2 3.88Å; V342-T374 HydrophobicContact CG1-CG2 3.79Å; T363-T374 CarbonylContact C-O 3.55Å; T363-T374 WeakPolarHBondContact CA-O 3.5Å; F364-T374 HydrophobicContact CB-CG2 3.94Å; F364-T374 PolarHBondContact N-O 3.16Å; F364-T374 PolarHBondContact O-N 3.1Å
375S95.2Very high90Very high33 Ų3353.1 Ų53.123%0.23130%0.296CS..EExtended strand (participates in β ladder)trans-131.1140-178.3-62.50000112.3V362 T363 V427V362-S375 CarbonylContact O-C 3.5Å; V362-S375 VanDerWaalsContact O-CA 3.32Å; V362-S375 WeakPolarHBondContact O-CA 3.39Å; T363-S375 WeakPolarHBondContact CG2-OG 3.37Å; T363-S375 PolarHBondContact OG1-OG 3.1Å; S375-V427 WeakPolarHBondContact O-CB 3.49Å; S375-V427 PolarHBondContact O-N 3.46Å
376V96.6Very high89.7Confident5 Ų550.8 Ų50.83%0.0328%0.284CS..EExtended strand (participates in β ladder)trans-129.4143.3-177.9178.80000109.4L334 L336 G361 V362 F364 L424L334-V376 HydrophobicContact CD1-CG2 3.99Å; L336-V376 HydrophobicContact CD1-CB 4.42Å; L336-V376 HydrophobicContact CD1-CG1 3.78Å; L336-V376 HydrophobicContact CD1-CG2 3.92Å; G361-V376 WeakPolarHBondContact CA-O 3.43Å; V362-V376 PolarHBondContact N-O 2.69Å; V362-V376 PolarHBondContact O-N 3.24Å; F364-V376 HydrophobicContact CD2-CG2 4.38Å; F364-V376 HydrophobicContact CE2-CB 4.28Å; F364-V376 HydrophobicContact CE2-CG2 4.17Å; V376-L424 HydrophobicContact CG1-CB 3.94Å; V376-L424 HydrophobicContact CG1-CD1 4.27Å; V376-L424 HydrophobicContact CG1-CD2 4Å; V376-L424 HydrophobicContact CG1-CG 4.3Å
377I97.2Very high89.5Confident26 Ų2650.7 Ų50.713%0.13328%0.283CS..EExtended strand (participates in β ladder)trans-103.7122.3169.5-49.6-177.1000108.2Y353 P359 L360 K379 L424 V425 V427Y353-I377 HydrophobicContact CD2-CD1 4.45Å; Y353-I377 HydrophobicContact CD2-CG2 4.3Å; Y353-I377 HydrophobicContact CE1-CD1 4.27Å; Y353-I377 HydrophobicContact CE2-CD1 3.75Å; Y353-I377 HydrophobicContact CE2-CG1 3.76Å; Y353-I377 HydrophobicContact CE2-CG2 4.15Å; P359-I377 HydrophobicContact CB-CG2 3.77Å; P359-I377 HydrophobicContact CG-CG2 4.13Å; L360-I377 CarbonylContact O-C 3.48Å; L360-I377 VanDerWaalsContact O-CA 3.31Å; L360-I377 WeakPolarHBondContact O-CA 3.27Å; I377-K379 HydrophobicContact CG2-CG 4.2Å; I377-L424 CarbonylContact O-C 3.28Å; I377-L424 WeakPolarHBondContact O-CA 3.46Å; I377-V425 HydrophobicContact CB-CB 4.27Å; I377-V425 PolarHBondContact N-O 3.47Å; I377-V425 PolarHBondContact O-N 2.61Å; I377-V427 HydrophobicContact CD1-CG2 3.99Å; I377-V427 HydrophobicContact CG1-CG2 3.46Å; I377-V427 VanDerWaalsContact CG1-CG2 3.46Å
378C96.9Very high89.6Confident1 Ų147.9 Ų47.91%0.00727%0.27CS..EExtended strand (participates in β ladder)trans-95.7115.1168.4-175.40000109L296 A300 P359 L360 L424L296-C378 HydrophobicContact CB-CB 4.4Å; A300-C378 HydrophobicContact CB-CB 4.38Å; P359-C378 WeakPolarHBondContact CB-O 3.21Å; L360-C378 HydrophobicContact CB-CB 4.25Å; L360-C378 HydrophobicContact CD2-CB 4.48Å; L360-C378 PolarHBondContact N-O 3.46Å; L360-C378 PolarHBondContact O-N 2.81Å; C378-L424 HydrophobicContact CB-CD2 3.76Å
379K94.4Very high89.7Confident25 Ų2544 Ų4411%0.10925%0.249CC..EExtended strand (participates in β ladder)trans-99.5144.6176.8-74.4-177.8162.2-163.30110.3P359 I377 L384 Q422 G423 V425P359-K379 HydrophobicContact CB-CB 4.45Å; P359-K379 HydrophobicContact CB-CG 3.77Å; P359-K379 HydrophobicContact CG-CG 4.43Å; I377-K379 HydrophobicContact CG2-CG 4.2Å; K379-L384 HydrophobicContact CB-CD1 4.34Å; K379-L384 HydrophobicContact CD-CD2 3.74Å; K379-Q422 WeakPolarHBondContact O-CA 3.48Å; K379-G423 PolarHBondContact N-O 3.44Å; K379-G423 PolarHBondContact O-N 3.17Å; K379-G423 VanDerWaalsContact O-N 3.09Å; K379-V425 HydrophobicContact CD-CG2 4.07Å
380T91.8Very high90.2Very high14 Ų1439 Ų399%0.08622%0.215CC..EExtended strand (participates in β ladder)trans-142.1134.7177.8-57.10000108.3A300 Q301 Y304A300-T380 WeakPolarHBondContact CB-OG1 3.23Å; Q301-T380 HydrophobicContact CG-CG2 3.55Å; Y304-T380 WeakPolarHBondContact CD2-O 3.44Å
381G86.5Confident90.7Very high37 Ų3731.9 Ų31.938%0.38118%0.177SC..SBendtrans96.5-5.8-176.300000114.5A421G381-A421 PolarHBondContact N-O 3.03Å
382D85.2Confident91.6Very high62 Ų6230.3 Ų30.333%0.33216%0.163SC..SBendtrans-118.7138.6-180-58.6-35.8000110.1L384 A421 Q422D382-L384 PolarHBondContact O-N 2.99Å; D382-A421 PolarHBondContact N-O 3.29Å; D382-A421 CarbonylContact O-C 3.53Å; D382-A421 WeakPolarHBondContact O-CA 3.39Å; D382-Q422 PolarHBondContact O-N 2.97Å
383D87.6Confident92.5Very high41 Ų4122.1 Ų22.122%0.21913%0.127CC..  trans-83.2102.2175.3-171.3-11.9000110.9R385D383-R385 VanDerWaalsContact C-N 3.25Å; D383-R385 PolarHBondContact O-N 2.87Å; D383-R385 VanDerWaalsContact OD1-CB 3.27Å; D383-R385 WeakPolarHBondContact OD1-CB 3.45Å; D383-R385 WeakPolarHBondContact OD1-CG 3.33Å; D383-R385 IonicContact OD1-CZ 2.77Å; D383-R385 PolarHBondContact OD1-N 3.23Å; D383-R385 VanDerWaalsContact OD1-N 3.1Å; D383-R385 IonicContact OD1-NE 2.81Å; D383-R385 PolarHBondContact OD1-NE 3.37Å; D383-R385 IonicContact OD2-CZ 3.75Å; D383-R385 VanDerWaalsContact OD2-CZ 3.3Å; D383-R385 IonicContact OD2-NE 3.56Å; D383-R385 PolarHBondContact OD2-NE 3.22Å; D383-R385 VanDerWaalsContact OD2-NE 3.08Å; D383-R385 IonicContact OD2-NH2 2.93Å; D383-R385 PolarHBondContact OD2-NH2 2.68Å
384L90.7Very high92.8Very high0 Ų019.2 Ų19.20%011%0.109CC..THydrogen-bonded Turntrans-77.5-6.4-176.5-67.4-169.8000114.5K379 D382 Q386 D387 M388 V425K379-L384 HydrophobicContact CB-CD1 4.34Å; K379-L384 HydrophobicContact CD-CD2 3.74Å; D382-L384 PolarHBondContact O-N 2.99Å; L384-Q386 PolarHBondContact O-N 2.95Å; L384-D387 PolarHBondContact O-N 3.05Å; L384-D387 VanDerWaalsContact O-N 3.16Å; L384-M388 VanDerWaalsContact O-CG 3.31Å; L384-M388 WeakPolarHBondContact O-CG 3.43Å; L384-M388 PolarHBondContact O-N 3.1Å; L384-V425 HydrophobicContact CD1-CG2 3.86Å; L384-V425 HydrophobicContact CD2-CG2 4.42Å
385R89.5Confident92.9Very high58 Ų5820.8 Ų20.822%0.21911%0.111CC..Hα-helixtrans-60.8-30.4175.3-59.1176.3-58.7154.34.3110.9D256 D383 L389 A581 E582 L583D256-R385 WeakPolarHBondContact OD2-CD 3.26Å; D256-R385 WeakPolarHBondContact OD2-CG 3.37Å; D383-R385 VanDerWaalsContact C-N 3.25Å; D383-R385 PolarHBondContact O-N 2.87Å; D383-R385 VanDerWaalsContact OD1-CB 3.27Å; D383-R385 WeakPolarHBondContact OD1-CB 3.45Å; D383-R385 WeakPolarHBondContact OD1-CG 3.33Å; D383-R385 IonicContact OD1-CZ 2.77Å; D383-R385 PolarHBondContact OD1-N 3.23Å; D383-R385 VanDerWaalsContact OD1-N 3.1Å; D383-R385 IonicContact OD1-NE 2.81Å; D383-R385 PolarHBondContact OD1-NE 3.37Å; D383-R385 IonicContact OD2-CZ 3.75Å; D383-R385 VanDerWaalsContact OD2-CZ 3.3Å; D383-R385 IonicContact OD2-NE 3.56Å; D383-R385 PolarHBondContact OD2-NE 3.22Å; D383-R385 VanDerWaalsContact OD2-NE 3.08Å; D383-R385 IonicContact OD2-NH2 2.93Å; D383-R385 PolarHBondContact OD2-NH2 2.68Å; R385-L389 WeakPolarHBondContact O-CB 3.46Å; R385-L389 PolarHBondContact O-N 2.94Å; R385-A581 PolarHBondContact NH1-O 3.32Å; R385-E582 PolarHBondContact NH2-O 3.36Å; R385-L583 HydrophobicContact CB-CD2 3.61Å
386Q88.5Confident93.1Very high8 Ų819.2 Ų19.24%0.03710%0.1CC..Hα-helixtrans-66.3-50.7172.8-174.3-178.416.900112.4L384 M388 L389 I390 F510 G511 I513L384-Q386 PolarHBondContact O-N 2.95Å; Q386-M388 VanDerWaalsContact C-N 3.28Å; Q386-M388 PolarHBondContact O-N 3.31Å; Q386-L389 WeakPolarHBondContact O-CB 3.47Å; Q386-L389 PolarHBondContact O-N 3.34Å; Q386-I390 WeakPolarHBondContact O-CG1 3.28Å; Q386-I390 PolarHBondContact O-N 3.08Å; Q386-F510 VanDerWaalsContact CD-O 3.24Å; Q386-F510 PolarHBondContact NE2-O 3.08Å; Q386-G511 VanDerWaalsContact NE2-C 3.31Å; Q386-G511 PolarHBondContact NE2-O 2.72Å; Q386-G511 VanDerWaalsContact OE1-CA 3.29Å; Q386-G511 PolarHBondContact OE1-O 3.25Å; Q386-I513 HydrophobicContact CG-CD1 4.13Å
387D91.8Very high93.2Very high7 Ų719 Ų194%0.03710%0.098CC..Hα-helixtrans-60.1-41176.3-69.9-99.4000111.1L384 I390 L391 F510L384-D387 PolarHBondContact O-N 3.05Å; L384-D387 VanDerWaalsContact O-N 3.16Å; D387-I390 PolarHBondContact O-N 2.83Å; D387-L391 WeakPolarHBondContact O-CB 3.37Å; D387-L391 WeakPolarHBondContact O-CD1 3.43Å; D387-L391 VanDerWaalsContact O-CG 3.26Å; D387-L391 WeakPolarHBondContact O-CG 3.37Å; D387-L391 PolarHBondContact O-N 2.82Å; D387-F510 HydrophobicContact CB-CD2 4.24Å; D387-F510 WeakPolarHBondContact OD1-CD2 3.33Å; D387-F510 PolarHBondContact OD1-N 3.12Å
388M92.6Very high93.2Very high33 Ų3319.2 Ų19.216%0.16310%0.1CC..Hα-helixtrans-57.4-48.6175-71.9174.570.700111.9L253 L384 Q386 L391 Q392 C415 S417L253-M388 HydrophobicContact CD2-CE 3.7Å; L384-M388 VanDerWaalsContact O-CG 3.31Å; L384-M388 WeakPolarHBondContact O-CG 3.43Å; L384-M388 PolarHBondContact O-N 3.1Å; Q386-M388 VanDerWaalsContact C-N 3.28Å; Q386-M388 PolarHBondContact O-N 3.31Å; M388-L391 PolarHBondContact O-N 3.34Å; M388-Q392 WeakPolarHBondContact O-CB 3.28Å; M388-Q392 PolarHBondContact O-N 2.89Å; M388-C415 HydrophobicContact CG-CB 4.23Å; M388-C415 WeakPolarHBondContact CG-O 3.49Å; M388-S417 PolarHBondContact SD-N 2.91Å
389L91.5Very high93.3Very high5 Ų521.2 Ų21.23%0.02611%0.107CC..Hα-helixtrans-57.9-50.7177.6169.552.8000111.6R385 Q386 L391 Q392 I393 L575 L578 L583 L586R385-L389 WeakPolarHBondContact O-CB 3.46Å; R385-L389 PolarHBondContact O-N 2.94Å; Q386-L389 WeakPolarHBondContact O-CB 3.47Å; Q386-L389 PolarHBondContact O-N 3.34Å; L389-L391 PolarHBondContact O-N 2.66Å; L389-Q392 WeakPolarHBondContact O-CB 3.43Å; L389-Q392 PolarHBondContact O-N 3.35Å; L389-I393 HydrophobicContact CD1-CD1 3.48Å; L389-I393 VanDerWaalsContact CD1-CD1 3.48Å; L389-I393 HydrophobicContact CD1-CG1 3.91Å; L389-I393 HydrophobicContact CG-CD1 4.1Å; L389-I393 PolarHBondContact O-N 3.46Å; L389-L575 HydrophobicContact CD1-CD2 4.34Å; L389-L575 HydrophobicContact CD2-CD2 4.23Å; L389-L578 HydrophobicContact CD1-CD1 3.11Å; L389-L578 HydrophobicContact CD2-CD1 3.98Å; L389-L578 HydrophobicContact CG-CD1 4.03Å; L389-L583 HydrophobicContact CD2-CD1 3.81Å; L389-L586 HydrophobicContact CD2-CD2 4.14Å
390I92.8Very high93.4Very high0 Ų020.1 Ų20.10%010%0.103CC..Hα-helixtrans-64.4-45.5-177.2-64-62.8000111.1Q386 D387 Q392 I393 V394 L487 I489 F510 I513Q386-I390 WeakPolarHBondContact O-CG1 3.28Å; Q386-I390 PolarHBondContact O-N 3.08Å; D387-I390 PolarHBondContact O-N 2.83Å; I390-Q392 VanDerWaalsContact C-N 3.26Å; I390-Q392 PolarHBondContact O-N 2.8Å; I390-I393 PolarHBondContact O-N 2.92Å; I390-V394 HydrophobicContact CG2-CG2 4.42Å; I390-V394 VanDerWaalsContact O-CG2 3.26Å; I390-V394 WeakPolarHBondContact O-CG2 3.33Å; I390-V394 PolarHBondContact O-N 3.3Å; I390-L487 HydrophobicContact CD1-CB 4.45Å; I390-L487 HydrophobicContact CD1-CD1 3.96Å; I390-L487 HydrophobicContact CG2-CD1 4.28Å; I390-I489 HydrophobicContact CG2-CD1 3.65Å; I390-F510 HydrophobicContact CB-CB 4.16Å; I390-F510 HydrophobicContact CB-CD1 4.44Å; I390-F510 HydrophobicContact CB-CD2 4.18Å; I390-F510 HydrophobicContact CB-CG 4.01Å; I390-F510 HydrophobicContact CG1-CB 4.07Å; I390-F510 HydrophobicContact CG1-CG 4.42Å; I390-F510 HydrophobicContact CG2-CB 4.27Å; I390-F510 HydrophobicContact CG2-CD1 3.66Å; I390-F510 HydrophobicContact CG2-CD2 4.03Å; I390-F510 HydrophobicContact CG2-CE1 3.92Å; I390-F510 HydrophobicContact CG2-CE2 4.28Å; I390-F510 HydrophobicContact CG2-CG 3.71Å; I390-F510 HydrophobicContact CG2-CZ 4.23Å; I390-I513 HydrophobicContact CD1-CB 4.33Å; I390-I513 HydrophobicContact CD1-CD1 4.07Å; I390-I513 HydrophobicContact CD1-CG2 3.7Å; I390-I513 HydrophobicContact CG1-CG2 3.87Å
391L95.8Very high93.8Very high0 Ų019.5 Ų19.50%010%0.099CC..Hα-helixtrans-62.3-36.5176.7-72.9162.8000112D387 M388 L389 R395 F413 C415 F510D387-L391 WeakPolarHBondContact O-CB 3.37Å; D387-L391 WeakPolarHBondContact O-CD1 3.43Å; D387-L391 VanDerWaalsContact O-CG 3.26Å; D387-L391 WeakPolarHBondContact O-CG 3.37Å; D387-L391 PolarHBondContact O-N 2.82Å; M388-L391 PolarHBondContact O-N 3.34Å; L389-L391 PolarHBondContact O-N 2.66Å; L391-R395 VanDerWaalsContact O-CG 3.31Å; L391-R395 WeakPolarHBondContact O-CG 3.43Å; L391-R395 PolarHBondContact O-N 3.48Å; L391-F413 HydrophobicContact CD1-CD2 3.99Å; L391-F413 HydrophobicContact CD1-CE1 4.49Å; L391-F413 HydrophobicContact CD1-CE2 3.6Å; L391-F413 HydrophobicContact CD1-CZ 3.88Å; L391-F413 WeakPolarHBondContact CD1-O 3.45Å; L391-F413 HydrophobicContact CD2-CD1 4.04Å; L391-F413 HydrophobicContact CD2-CE1 3.78Å; L391-F413 HydrophobicContact CD2-CE2 4.35Å; L391-F413 HydrophobicContact CD2-CG 4.43Å; L391-F413 HydrophobicContact CD2-CZ 3.96Å; L391-F413 HydrophobicContact CG-CZ 4.41Å; L391-C415 HydrophobicContact CD1-CB 3.64Å; L391-F510 HydrophobicContact CD1-CE2 4.4Å; L391-F510 HydrophobicContact CD2-CE2 3.88Å; L391-F510 HydrophobicContact CD2-CZ 4.42Å; L391-F510 HydrophobicContact CG-CD2 4.43Å; L391-F510 HydrophobicContact CG-CE2 3.85Å
392Q95.4Very high94.3Very high11 Ų1121.5 Ų21.55%0.05110%0.101CC..Hα-helixtrans-64.9-49.4175.6-173.7-165.518.500111.7L213 P216 M388 L389 I390 V394 R395 V396 M574L213-Q392 PolarHBondContact O-NE2 3Å; P216-Q392 VanDerWaalsContact CD-NE2 3.27Å; P216-Q392 VanDerWaalsContact CG-NE2 3.32Å; M388-Q392 WeakPolarHBondContact O-CB 3.28Å; M388-Q392 PolarHBondContact O-N 2.89Å; L389-Q392 WeakPolarHBondContact O-CB 3.43Å; L389-Q392 PolarHBondContact O-N 3.35Å; I390-Q392 VanDerWaalsContact C-N 3.26Å; I390-Q392 PolarHBondContact O-N 2.8Å; Q392-V394 VanDerWaalsContact C-N 3.28Å; Q392-V394 PolarHBondContact O-N 2.67Å; Q392-R395 WeakPolarHBondContact O-CB 3.29Å; Q392-R395 PolarHBondContact O-N 2.73Å; Q392-R395 VanDerWaalsContact O-N 3.13Å; Q392-V396 PolarHBondContact O-N 3.27Å; Q392-M574 HydrophobicContact CG-CE 3.93Å
393I96.3Very high94.8Very high0 Ų024.6 Ų24.60%011%0.113CC..Hα-helixtrans-61.9-39.8178.1-67.5167.7000110.6L389 I390 R395 V396 M397 L487 I571 M574 L575L389-I393 HydrophobicContact CD1-CD1 3.48Å; L389-I393 VanDerWaalsContact CD1-CD1 3.48Å; L389-I393 HydrophobicContact CD1-CG1 3.91Å; L389-I393 HydrophobicContact CG-CD1 4.1Å; L389-I393 PolarHBondContact O-N 3.46Å; I390-I393 PolarHBondContact O-N 2.92Å; I393-R395 VanDerWaalsContact C-N 3.32Å; I393-R395 PolarHBondContact O-N 3Å; I393-V396 CarbonylContact O-C 3.56Å; I393-V396 PolarHBondContact O-N 2.96Å; I393-V396 VanDerWaalsContact O-N 3.12Å; I393-M397 HydrophobicContact CG2-CE 3.81Å; I393-M397 HydrophobicContact CG2-CG 4.37Å; I393-M397 HydrophobicContact CG2-SD 4.4Å; I393-M397 WeakPolarHBondContact O-CG 3.44Å; I393-M397 PolarHBondContact O-N 3.36Å; I393-L487 HydrophobicContact CB-CD1 4.42Å; I393-L487 HydrophobicContact CD1-CD2 4.09Å; I393-L487 HydrophobicContact CG2-CD1 4.1Å; I393-L487 HydrophobicContact CG2-CD2 4.04Å; I393-I571 HydrophobicContact CG2-CD1 3.98Å; I393-I571 HydrophobicContact CG2-CG2 4.43Å; I393-M574 HydrophobicContact CG1-CE 4.18Å; I393-L575 HydrophobicContact CD1-CD2 3.56Å; I393-L575 HydrophobicContact CD1-CG 4.08Å
394V97.5Very high95.2Very high0 Ų028.4 Ų28.40%013%0.13CC..Hα-helixtrans-63.2-37.7176.1173.90000111.6I390 Q392 V396 M397 D398 M410 T412 W480 A483 L487I390-V394 HydrophobicContact CG2-CG2 4.42Å; I390-V394 VanDerWaalsContact O-CG2 3.26Å; I390-V394 WeakPolarHBondContact O-CG2 3.33Å; I390-V394 PolarHBondContact O-N 3.3Å; Q392-V394 VanDerWaalsContact C-N 3.28Å; Q392-V394 PolarHBondContact O-N 2.67Å; V394-V396 VanDerWaalsContact C-N 3.33Å; V394-M397 PolarHBondContact O-N 2.9Å; V394-D398 WeakPolarHBondContact O-CB 3.38Å; V394-D398 PolarHBondContact O-N 3.38Å; V394-M410 HydrophobicContact CG1-CE 3.58Å; V394-T412 HydrophobicContact CB-CG2 4.35Å; V394-T412 HydrophobicContact CG1-CG2 3.73Å; V394-W480 HydrophobicContact CG1-CH2 4.07Å; V394-W480 HydrophobicContact CG1-CZ2 4.2Å; V394-W480 HydrophobicContact CG2-CH2 4.11Å; V394-W480 HydrophobicContact CG2-CZ3 4.01Å; V394-A483 HydrophobicContact CG2-CB 4.13Å; V394-L487 HydrophobicContact CG2-CD1 4.47Å
395R97.8Very high95.5Very high70 Ų7031.9 Ų31.926%0.26417%0.165SC..Hα-helixtrans-64-37.6171.9-73174.1-172.7124.65.3112.4L213 L391 Q392 I393 D398 W399 T412 F413L213-R395 HydrophobicContact CD2-CB 4.07Å; L391-R395 VanDerWaalsContact O-CG 3.31Å; L391-R395 WeakPolarHBondContact O-CG 3.43Å; L391-R395 PolarHBondContact O-N 3.48Å; Q392-R395 WeakPolarHBondContact O-CB 3.29Å; Q392-R395 PolarHBondContact O-N 2.73Å; Q392-R395 VanDerWaalsContact O-N 3.13Å; I393-R395 VanDerWaalsContact C-N 3.32Å; I393-R395 PolarHBondContact O-N 3Å; R395-D398 PolarHBondContact O-N 2.67Å; R395-W399 WeakPolarHBondContact O-CB 3.48Å; R395-W399 PolarHBondContact O-N 3.33Å; R395-T412 HydrophobicContact CG-CG2 3.87Å; R395-T412 WeakPolarHBondContact CG-OG1 3.1Å; R395-T412 PolarHBondContact NE-OG1 3.29Å; R395-T412 VanDerWaalsContact NE-OG1 3.14Å; R395-F413 VanDerWaalsContact NH2-C 3.31Å; R395-F413 PolarHBondContact NH2-O 3.24Å
396V98.1Very high95.9Very high0 Ų029.8 Ų29.80%016%0.158CC..Hα-helixtrans-67.9-41174.7171.70000111L213 F214 Q392 I393 V394 D398 W399 V400 L570 M574L213-V396 HydrophobicContact CB-CG2 4.09Å; F214-V396 HydrophobicContact CE1-CG2 4.32Å; Q392-V396 PolarHBondContact O-N 3.27Å; I393-V396 CarbonylContact O-C 3.56Å; I393-V396 PolarHBondContact O-N 2.96Å; I393-V396 VanDerWaalsContact O-N 3.12Å; V394-V396 VanDerWaalsContact C-N 3.33Å; V396-D398 VanDerWaalsContact C-N 3.35Å; V396-D398 PolarHBondContact O-N 3Å; V396-W399 HydrophobicContact CG1-CE3 4.44Å; V396-W399 PolarHBondContact O-N 2.98Å; V396-V400 WeakPolarHBondContact O-CG2 3.43Å; V396-V400 PolarHBondContact O-N 3.17Å; V396-L570 HydrophobicContact CG1-CD2 3.6Å; V396-L570 HydrophobicContact CG1-CG 4.04Å; V396-M574 HydrophobicContact CB-CE 4.37Å; V396-M574 HydrophobicContact CB-SD 4.05Å; V396-M574 HydrophobicContact CG1-SD 3.92Å; V396-M574 HydrophobicContact CG2-CE 3.66Å; V396-M574 HydrophobicContact CG2-SD 3.79Å
397M98.4Very high96.3Very high0 Ų032.8 Ų32.80%018%0.175CC..Hα-helixtrans-59.6-46173.4-69.5176174.200111.4I393 V394 V400 W401 A483 I486 L487 I564 I571I393-M397 HydrophobicContact CG2-CE 3.81Å; I393-M397 HydrophobicContact CG2-CG 4.37Å; I393-M397 HydrophobicContact CG2-SD 4.4Å; I393-M397 WeakPolarHBondContact O-CG 3.44Å; I393-M397 PolarHBondContact O-N 3.36Å; V394-M397 PolarHBondContact O-N 2.9Å; M397-V400 PolarHBondContact O-N 3.21Å; M397-W401 HydrophobicContact CB-CE3 4.3Å; M397-W401 HydrophobicContact CB-CH2 3.82Å; M397-W401 HydrophobicContact CB-CZ2 4.1Å; M397-W401 HydrophobicContact CB-CZ3 3.93Å; M397-W401 VanDerWaalsContact O-CD2 3.24Å; M397-W401 PolarHBondContact O-N 3.06Å; M397-W401 HydrophobicContact SD-CH2 4.39Å; M397-A483 HydrophobicContact SD-CB 3.78Å; M397-I486 HydrophobicContact CE-CB 4.15Å; M397-I486 HydrophobicContact CE-CD1 4.22Å; M397-I486 HydrophobicContact CE-CG2 3.84Å; M397-L487 HydrophobicContact CE-CD1 4.35Å; M397-L487 HydrophobicContact CE-CD2 4.44Å; M397-L487 HydrophobicContact CE-CG 4.17Å; M397-I564 HydrophobicContact CB-CD1 3.82Å; M397-I564 HydrophobicContact CB-CG1 4.37Å; M397-I564 HydrophobicContact CE-CG2 4.21Å; M397-I564 HydrophobicContact CG-CD1 3.89Å; M397-I564 HydrophobicContact CG-CG1 4.18Å; M397-I564 HydrophobicContact CG-CG2 4.37Å; M397-I571 HydrophobicContact CE-CD1 4.14Å; M397-I571 HydrophobicContact CG-CD1 4.18Å
398D98.4Very high96.6Very high32 Ų3232.5 Ų32.517%0.17117%0.173CC..Hα-helixtrans-60.5-45.2176-170.354.7000112.2V394 R395 V396 V400 W401 L402 M410V394-D398 WeakPolarHBondContact O-CB 3.38Å; V394-D398 PolarHBondContact O-N 3.38Å; R395-D398 PolarHBondContact O-N 2.67Å; V396-D398 VanDerWaalsContact C-N 3.35Å; V396-D398 PolarHBondContact O-N 3Å; D398-V400 PolarHBondContact O-N 3.13Å; D398-W401 HydrophobicContact CB-CE3 4.45Å; D398-W401 PolarHBondContact O-N 3.2Å; D398-L402 WeakPolarHBondContact O-CB 3.48Å; D398-L402 VanDerWaalsContact O-CG 3.26Å; D398-L402 WeakPolarHBondContact O-CG 3.29Å; D398-L402 PolarHBondContact O-N 3.48Å; D398-M410 HydrophobicContact CB-CB 4.19Å; D398-M410 HydrophobicContact CB-CG 4.21Å; D398-M410 WeakPolarHBondContact OD1-CB 3.26Å; D398-M410 VanDerWaalsContact OD1-CG 3.28Å; D398-M410 WeakPolarHBondContact OD1-CG 3.42Å
399W97.6Very high96.9Very high42 Ų4233.2 Ų33.216%0.15918%0.176CC..Hα-helixtrans-57.6-46.6173.3170.877.2000112P179 L213 R395 V396 L402 Q403 L570P179-W399 HydrophobicContact CG-CH2 4.49Å; L213-W399 HydrophobicContact CD1-CB 3.97Å; L213-W399 HydrophobicContact CD1-CD2 4.09Å; L213-W399 HydrophobicContact CD1-CG 3.75Å; R395-W399 WeakPolarHBondContact O-CB 3.48Å; R395-W399 PolarHBondContact O-N 3.33Å; V396-W399 HydrophobicContact CG1-CE3 4.44Å; V396-W399 PolarHBondContact O-N 2.98Å; W399-L402 PolarHBondContact O-N 2.88Å; W399-Q403 HydrophobicContact CD2-CG 4.47Å; W399-Q403 HydrophobicContact CZ2-CG 4.34Å; W399-Q403 WeakPolarHBondContact O-CG 3.41Å; W399-Q403 PolarHBondContact O-N 3.44Å; W399-L570 HydrophobicContact CZ3-CD2 4.03Å
400V98.3Very high97.1Very high3 Ų334 Ų342%0.01818%0.18CC..Hα-helixtrans-62.2-44.8177.1175.90000111.2V396 M397 D398 L402 Q403 E404 I563 I564 R567 L570V396-V400 WeakPolarHBondContact O-CG2 3.43Å; V396-V400 PolarHBondContact O-N 3.17Å; M397-V400 PolarHBondContact O-N 3.21Å; D398-V400 PolarHBondContact O-N 3.13Å; V400-L402 VanDerWaalsContact C-N 3.34Å; V400-L402 PolarHBondContact O-N 2.91Å; V400-Q403 PolarHBondContact O-N 3.47Å; V400-E404 PolarHBondContact O-N 3.43Å; V400-I563 HydrophobicContact CG1-CG2 3.59Å; V400-I564 HydrophobicContact CB-CD1 3.99Å; V400-I564 HydrophobicContact CG1-CD1 4.04Å; V400-R567 HydrophobicContact CG1-CB 4.5Å; V400-R567 HydrophobicContact CG1-CG 3.91Å; V400-L570 HydrophobicContact CG2-CD2 3.93Å
401W98.5Very high97.2Very high0 Ų035.2 Ų35.20%019%0.186CC..Hα-helixtrans-60.8-43.2177.5-67.1-41.7000112M397 D398 Q403 E404 G405 L406 L408 M410 V482 A560 I564M397-W401 HydrophobicContact CB-CE3 4.3Å; M397-W401 HydrophobicContact CB-CH2 3.82Å; M397-W401 HydrophobicContact CB-CZ2 4.1Å; M397-W401 HydrophobicContact CB-CZ3 3.93Å; M397-W401 VanDerWaalsContact O-CD2 3.24Å; M397-W401 PolarHBondContact O-N 3.06Å; M397-W401 HydrophobicContact SD-CH2 4.39Å; D398-W401 HydrophobicContact CB-CE3 4.45Å; D398-W401 PolarHBondContact O-N 3.2Å; W401-Q403 VanDerWaalsContact C-N 3.34Å; W401-Q403 PolarHBondContact O-N 3.32Å; W401-E404 CarbonylContact O-C 3.58Å; W401-E404 PolarHBondContact O-N 3.36Å; W401-E404 VanDerWaalsContact O-N 3.14Å; W401-G405 PolarHBondContact O-N 2.86Å; W401-L406 CarbonylContact C-O 3.48Å; W401-L406 VanDerWaalsContact C-O 3.24Å; W401-L406 HydrophobicContact CB-CB 4.31Å; W401-L406 VanDerWaalsContact CB-O 3.28Å; W401-L406 WeakPolarHBondContact CB-O 3.45Å; W401-L406 HydrophobicContact CG-CD2 4.47Å; W401-L406 WeakPolarHBondContact O-CA 3.12Å; W401-L406 PolarHBondContact O-N 3.19Å; W401-L408 HydrophobicContact CD2-CD1 3.49Å; W401-L408 VanDerWaalsContact CD2-CD1 3.49Å; W401-L408 HydrophobicContact CD2-CG 4.37Å; W401-L408 HydrophobicContact CE3-CB 4.39Å; W401-L408 HydrophobicContact CE3-CD1 3.48Å; W401-L408 VanDerWaalsContact CE3-CD1 3.48Å; W401-L408 HydrophobicContact CE3-CG 4.25Å; W401-L408 HydrophobicContact CG-CD1 4.06Å; W401-L408 HydrophobicContact CH2-CD1 4.07Å; W401-L408 HydrophobicContact CZ2-CD1 4.04Å; W401-L408 HydrophobicContact CZ3-CD1 3.8Å; W401-M410 HydrophobicContact CE3-CG 4.17Å; W401-M410 HydrophobicContact CZ3-CE 4.13Å; W401-M410 HydrophobicContact CZ3-CG 3.86Å; W401-M410 HydrophobicContact CZ3-SD 4Å; W401-V482 HydrophobicContact CZ2-CB 4.26Å; W401-V482 HydrophobicContact CZ2-CG1 3.93Å; W401-A560 HydrophobicContact CZ2-CB 4.18Å; W401-A560 PolarHBondContact NE1-O 3.32Å; W401-I564 HydrophobicContact CD2-CD1 4.42Å; W401-I564 HydrophobicContact CZ2-CD1 4.19Å; W401-I564 HydrophobicContact CZ2-CG1 3.68Å; W401-I564 VanDerWaalsContact NE1-CG1 3.32Å
402L97.9Very high97.2Very high79 Ų7937.1 Ų37.141%0.41420%0.198SC..Hα-helixtrans-64.4-36.1177.6-70.4169.7000112.7D398 W399 V400 E404 G405 D407D398-L402 WeakPolarHBondContact O-CB 3.48Å; D398-L402 VanDerWaalsContact O-CG 3.26Å; D398-L402 WeakPolarHBondContact O-CG 3.29Å; D398-L402 PolarHBondContact O-N 3.48Å; W399-L402 PolarHBondContact O-N 2.88Å; V400-L402 VanDerWaalsContact C-N 3.34Å; V400-L402 PolarHBondContact O-N 2.91Å; L402-E404 VanDerWaalsContact C-N 3.25Å; L402-E404 PolarHBondContact O-N 3.21Å; L402-G405 PolarHBondContact O-N 3.27Å; L402-G405 VanDerWaalsContact O-N 3.07Å; L402-D407 HydrophobicContact CD2-CB 3.84Å
403Q95.9Very high97.2Very high127 Ų12736.9 Ų36.959%0.59320%0.197SC*.Hα-helixtrans-62.9-33.3174.1-69.4-54.3-59.600112.3W399 V400 W401 G405W399-Q403 HydrophobicContact CD2-CG 4.47Å; W399-Q403 HydrophobicContact CZ2-CG 4.34Å; W399-Q403 WeakPolarHBondContact O-CG 3.41Å; W399-Q403 PolarHBondContact O-N 3.44Å; V400-Q403 PolarHBondContact O-N 3.47Å; W401-Q403 VanDerWaalsContact C-N 3.34Å; W401-Q403 PolarHBondContact O-N 3.32Å; Q403-G405 PolarHBondContact O-N 3.07Å
404E96.8Very high97.1Very high122 Ų12240.4 Ų40.457%0.5721%0.21SC*.THydrogen-bonded Turntrans-84.96.7175.4-62.5-63.1149.900112.9V400 W401 L402 L406 I563V400-E404 PolarHBondContact O-N 3.43Å; W401-E404 CarbonylContact O-C 3.58Å; W401-E404 PolarHBondContact O-N 3.36Å; W401-E404 VanDerWaalsContact O-N 3.14Å; L402-E404 VanDerWaalsContact C-N 3.25Å; L402-E404 PolarHBondContact O-N 3.21Å; E404-L406 VanDerWaalsContact C-N 3.33Å; E404-L406 PolarHBondContact O-N 3.29Å; E404-I563 HydrophobicContact CB-CD1 3.87Å; E404-I563 HydrophobicContact CB-CG1 4.3Å; E404-I563 HydrophobicContact CB-CG2 4.36Å; E404-I563 HydrophobicContact CG-CD1 4.3Å; E404-I563 HydrophobicContact CG-CG1 4.19Å; E404-I563 HydrophobicContact CG-CG2 3.76Å
405G96.3Very high97Very high72 Ų7241.1 Ų41.174%0.74222%0.215SC*.THydrogen-bonded Turntrans77.813.2179.500000114.9W401 L402 Q403W401-G405 PolarHBondContact O-N 2.86Å; L402-G405 PolarHBondContact O-N 3.27Å; L402-G405 VanDerWaalsContact O-N 3.07Å; Q403-G405 PolarHBondContact O-N 3.07Å
406L97.6Very high96.8Very high14 Ų1438.4 Ų38.47%0.07321%0.206CC..  trans-102.899.7-179.7-17567000111.1W401 E404 L408 L556 E559 A560 I563W401-L406 CarbonylContact C-O 3.48Å; W401-L406 VanDerWaalsContact C-O 3.24Å; W401-L406 HydrophobicContact CB-CB 4.31Å; W401-L406 VanDerWaalsContact CB-O 3.28Å; W401-L406 WeakPolarHBondContact CB-O 3.45Å; W401-L406 HydrophobicContact CG-CD2 4.47Å; W401-L406 WeakPolarHBondContact O-CA 3.12Å; W401-L406 PolarHBondContact O-N 3.19Å; E404-L406 VanDerWaalsContact C-N 3.33Å; E404-L406 PolarHBondContact O-N 3.29Å; L406-L408 HydrophobicContact CD1-CD2 4.08Å; L406-L408 HydrophobicContact CD2-CD1 4.28Å; L406-L408 HydrophobicContact CD2-CD2 4.03Å; L406-L408 HydrophobicContact CD2-CG 4.17Å; L406-L408 HydrophobicContact CG-CD2 3.88Å; L406-L408 HydrophobicContact CG-CG 4.03Å; L406-L408 PolarHBondContact O-N 2.72Å; L406-L556 HydrophobicContact CD1-CD2 3.69Å; L406-E559 HydrophobicContact CD2-CG 4.2Å; L406-A560 HydrophobicContact CD2-CB 3.91Å; L406-I563 HydrophobicContact CB-CD1 4.23Å; L406-I563 HydrophobicContact CD2-CD1 3.73Å
407D97.8Very high96.6Very high72 Ų7238.4 Ų38.439%0.38521%0.206SC..  trans-90.5102.6174.1-175-4.4000111.1L402 Q409 Q475L402-D407 HydrophobicContact CD2-CB 3.84Å; D407-Q409 VanDerWaalsContact C-N 3.27Å; D407-Q409 PolarHBondContact O-N 2.98Å; D407-Q409 WeakPolarHBondContact OD1-CA 3.1Å; D407-Q409 PolarHBondContact OD1-N 3.13Å; D407-Q409 PolarHBondContact OD1-NE2 3.12Å; D407-Q409 PolarHBondContact OD2-NE2 3.35Å; D407-Q475 PolarHBondContact O-NE2 3.45Å
408L97.9Very high96.3Very high0 Ų038.9 Ų38.90%021%0.209CC..  trans-85.59.4177.6-62.6-179.2000113.4W401 L406 M410 Q475 S476 G479 L556 A560W401-L408 HydrophobicContact CD2-CD1 3.49Å; W401-L408 VanDerWaalsContact CD2-CD1 3.49Å; W401-L408 HydrophobicContact CD2-CG 4.37Å; W401-L408 HydrophobicContact CE3-CB 4.39Å; W401-L408 HydrophobicContact CE3-CD1 3.48Å; W401-L408 VanDerWaalsContact CE3-CD1 3.48Å; W401-L408 HydrophobicContact CE3-CG 4.25Å; W401-L408 HydrophobicContact CG-CD1 4.06Å; W401-L408 HydrophobicContact CH2-CD1 4.07Å; W401-L408 HydrophobicContact CZ2-CD1 4.04Å; W401-L408 HydrophobicContact CZ3-CD1 3.8Å; L406-L408 HydrophobicContact CD1-CD2 4.08Å; L406-L408 HydrophobicContact CD2-CD1 4.28Å; L406-L408 HydrophobicContact CD2-CD2 4.03Å; L406-L408 HydrophobicContact CD2-CG 4.17Å; L406-L408 HydrophobicContact CG-CD2 3.88Å; L406-L408 HydrophobicContact CG-CG 4.03Å; L406-L408 PolarHBondContact O-N 2.72Å; L408-M410 HydrophobicContact CB-CG 4.12Å; L408-M410 HydrophobicContact CB-SD 4.29Å; L408-M410 PolarHBondContact O-N 3.47Å; L408-Q475 CarbonylContact O-C 3.57Å; L408-S476 WeakPolarHBondContact O-CA 3.23Å; L408-S476 PolarHBondContact O-N 3.38Å; L408-G479 VanDerWaalsContact CD1-CA 3.5Å; L408-L556 HydrophobicContact CD2-CD2 4.28Å; L408-A560 HydrophobicContact CD1-CB 3.57Å
409Q97.6Very high95.9Very high48 Ų4837.8 Ų37.822%0.22421%0.205CC..  trans53.640.4179.7-55.8-61.8-50.200112.7D407 I411 Q475 H504D407-Q409 VanDerWaalsContact C-N 3.27Å; D407-Q409 PolarHBondContact O-N 2.98Å; D407-Q409 WeakPolarHBondContact OD1-CA 3.1Å; D407-Q409 PolarHBondContact OD1-N 3.13Å; D407-Q409 PolarHBondContact OD1-NE2 3.12Å; D407-Q409 PolarHBondContact OD2-NE2 3.35Å; Q409-I411 PolarHBondContact O-N 3.44Å; Q409-Q475 HydrophobicContact CB-CB 4.23Å; Q409-Q475 HydrophobicContact CG-CB 3.97Å; Q409-Q475 HydrophobicContact CG-CG 4.5Å; Q409-H504 PolarHBondContact O-CD2 3.34Å
410M97Very high95.4Very high22 Ų2243.8 Ų43.811%0.10823%0.232CC..  trans-67132.2-176.3-65.7-61.8-71.800110.9V394 D398 W401 L408 W480V394-M410 HydrophobicContact CG1-CE 3.58Å; D398-M410 HydrophobicContact CB-CB 4.19Å; D398-M410 HydrophobicContact CB-CG 4.21Å; D398-M410 WeakPolarHBondContact OD1-CB 3.26Å; D398-M410 VanDerWaalsContact OD1-CG 3.28Å; D398-M410 WeakPolarHBondContact OD1-CG 3.42Å; W401-M410 HydrophobicContact CE3-CG 4.17Å; W401-M410 HydrophobicContact CZ3-CE 4.13Å; W401-M410 HydrophobicContact CZ3-CG 3.86Å; W401-M410 HydrophobicContact CZ3-SD 4Å; L408-M410 HydrophobicContact CB-CG 4.12Å; L408-M410 HydrophobicContact CB-SD 4.29Å; L408-M410 PolarHBondContact O-N 3.47Å; M410-W480 HydrophobicContact CE-CD2 3.89Å; M410-W480 HydrophobicContact CE-CG 3.94Å; M410-W480 HydrophobicContact CE-CZ2 4.27Å
411I95.1Very high95Very high25 Ų2545.3 Ų45.313%0.12825%0.245CC..  trans-104.7117167.9-63-172.7000108.4Q409 V428 K500 H504 F506Q409-I411 PolarHBondContact O-N 3.44Å; I411-V428 HydrophobicContact CG2-CG1 4.47Å; I411-K500 HydrophobicContact CD1-CD 3.37Å; I411-K500 HydrophobicContact CD1-CG 4.23Å; I411-H504 HydrophobicContact CD1-CB 3.32Å; I411-H504 HydrophobicContact CG1-CB 4.02Å; I411-F506 HydrophobicContact CB-CB 4.11Å; I411-F506 HydrophobicContact CB-CD1 4.15Å; I411-F506 HydrophobicContact CB-CG 4.2Å; I411-F506 HydrophobicContact CD1-CD1 4.41Å; I411-F506 HydrophobicContact CG2-CD1 4.06Å; I411-F506 HydrophobicContact CG2-CE1 4.43Å; I411-F506 HydrophobicContact CG2-CG 4.12Å
412T94.5Very high94.7Very high41 Ų4147 Ų4725%0.25225%0.253SS..  trans-110.5155.6163.268.70000109.2V394 R395V394-T412 HydrophobicContact CB-CG2 4.35Å; V394-T412 HydrophobicContact CG1-CG2 3.73Å; R395-T412 HydrophobicContact CG-CG2 3.87Å; R395-T412 WeakPolarHBondContact CG-OG1 3.1Å; R395-T412 PolarHBondContact NE-OG1 3.29Å; R395-T412 VanDerWaalsContact NE-OG1 3.14Å
413F95.3Very high94.5Very high6 Ų643.3 Ų43.33%0.02623%0.233CC..  trans-126.7154.917956.2-89.8000109.4L391 R395 V425 E426 V428 F506 I508 F510L391-F413 HydrophobicContact CD1-CD2 3.99Å; L391-F413 HydrophobicContact CD1-CE1 4.49Å; L391-F413 HydrophobicContact CD1-CE2 3.6Å; L391-F413 HydrophobicContact CD1-CZ 3.88Å; L391-F413 WeakPolarHBondContact CD1-O 3.45Å; L391-F413 HydrophobicContact CD2-CD1 4.04Å; L391-F413 HydrophobicContact CD2-CE1 3.78Å; L391-F413 HydrophobicContact CD2-CE2 4.35Å; L391-F413 HydrophobicContact CD2-CG 4.43Å; L391-F413 HydrophobicContact CD2-CZ 3.96Å; L391-F413 HydrophobicContact CG-CZ 4.41Å; R395-F413 VanDerWaalsContact NH2-C 3.31Å; R395-F413 PolarHBondContact NH2-O 3.24Å; F413-V425 HydrophobicContact CD2-CG1 3.65Å; F413-V425 HydrophobicContact CE2-CG1 3.54Å; F413-E426 HydrophobicContact CB-CB 4.29Å; F413-V428 HydrophobicContact CB-CG2 3.75Å; F413-V428 HydrophobicContact CD1-CG2 4.48Å; F413-V428 HydrophobicContact CG-CG2 4.39Å; F413-F506 HydrophobicContact CD1-CD2 4.23Å; F413-F506 HydrophobicContact CD1-CE2 4.27Å; F413-F506 HydrophobicContact CE1-CD2 4.35Å; F413-I508 HydrophobicContact CE1-CB 4.47Å; F413-I508 HydrophobicContact CE1-CG2 3.74Å; F413-I508 HydrophobicContact CZ-CB 4.39Å; F413-I508 HydrophobicContact CZ-CG2 4.06Å; F413-F510 HydrophobicContact CE1-CE2 4.35Å; F413-F510 AromaticContact CZ-CE2 3.99Å; F413-F510 HydrophobicContact CZ-CE2 3.99Å
414R94.8Very high94.6Very high74 Ų7437.3 Ų37.328%0.27921%0.205SC..  trans-78.1139.5-177.8-59.1-168.3-173.7120.6-28.3110.8L336 D337 E426L336-R414 HydrophobicContact CB-CB 4.29Å; L336-R414 HydrophobicContact CD2-CB 3.92Å; L336-R414 WeakPolarHBondContact O-CD 3.31Å; D337-R414 VanDerWaalsContact CB-NH1 3.29Å; D337-R414 VanDerWaalsContact CG-CZ 3.41Å; D337-R414 IonicContact OD1-NH2 2.78Å; D337-R414 PolarHBondContact OD1-NH2 3.37Å; D337-R414 IonicContact OD2-CZ 3.62Å; D337-R414 IonicContact OD2-NH1 3.85Å; D337-R414 PolarHBondContact OD2-NH1 2.99Å; D337-R414 IonicContact OD2-NH2 3.77Å; D337-R414 PolarHBondContact OD2-NH2 3.3Å; R414-E426 HydrophobicContact CB-CB 4.23Å; R414-E426 WeakPolarHBondContact CG-OE2 3.48Å; R414-E426 PolarHBondContact N-OE2 3.37Å; R414-E426 WeakPolarHBondContact O-CB 3.38Å; R414-E426 PolarHBondContact O-N 2.92Å
415C94.9Very high94.6Very high15 Ų1532.1 Ų32.110%0.10118%0.182CC..EExtended strand (participates in β ladder)trans-142.4133.9179.1-175.70000106.6M388 L391 L424M388-C415 HydrophobicContact CG-CB 4.23Å; M388-C415 WeakPolarHBondContact CG-O 3.49Å; L391-C415 HydrophobicContact CD1-CB 3.64Å; C415-L424 WeakPolarHBondContact CA-O 3.46Å
416V94.6Very high94.6Very high12 Ų1231.6 Ų31.67%0.07316%0.16CC..EExtended strand (participates in β ladder)trans-139.3126.2177.668.10000109.5W252 P335 L336 T418 G423 L424W252-V416 HydrophobicContact CB-CG2 3.77Å; W252-V416 HydrophobicContact CG-CG2 4.2Å; P335-V416 HydrophobicContact CB-CG1 4.13Å; L336-V416 HydrophobicContact CD2-CB 4.32Å; L336-V416 HydrophobicContact CD2-CG1 3.79Å; L336-V416 HydrophobicContact CG-CG1 4.33Å; V416-T418 HydrophobicContact CG1-CG2 4.17Å; V416-G423 CarbonylContact O-C 3.59Å; V416-G423 VanDerWaalsContact O-CA 3.32Å; V416-G423 WeakPolarHBondContact O-CA 3.45Å; V416-L424 HydrophobicContact CG1-CB 4.01Å; V416-L424 PolarHBondContact N-O 3.18Å; V416-L424 PolarHBondContact O-N 3.33Å
417S93.3Very high94.4Very high1 Ų132.8 Ų32.81%0.00717%0.168CC..EExtended strand (participates in β ladder)trans-74.1135.2168.7-171.30000108.2D256 M388 G419D256-S417 WeakPolarHBondContact OD1-CB 3.24Å; D256-S417 PolarHBondContact OD1-OG 3.49Å; M388-S417 PolarHBondContact SD-N 2.91Å; S417-G419 PolarHBondContact OG-O 3.13Å
418T92.7Very high94.2Very high10 Ų1030.2 Ų30.26%0.06116%0.155CC..  trans-121.420-177.560.70000111.3W252 V293 V416 Q422 G423 L424W252-T418 HydrophobicContact CE3-CG2 4.12Å; W252-T418 HydrophobicContact CZ3-CG2 3.89Å; V293-T418 HydrophobicContact CG1-CG2 3.85Å; V293-T418 HydrophobicContact CG2-CG2 4.47Å; V416-T418 HydrophobicContact CG1-CG2 4.17Å; T418-Q422 PolarHBondContact N-O 3.17Å; T418-Q422 PolarHBondContact O-NE2 3.1Å; T418-G423 WeakPolarHBondContact OG1-CA 3.32Å; T418-L424 HydrophobicContact CG2-CG 4.34Å
419G89.2Confident93.8Very high8 Ų834.1 Ų34.18%0.08218%0.18CC..SBendtrans135.6-173.3-176.600000112.5S417 A421 Q422S417-G419 PolarHBondContact OG-O 3.13Å; G419-A421 PolarHBondContact O-N 3.44Å; G419-A421 VanDerWaalsContact O-N 3.15Å; G419-Q422 PolarHBondContact O-N 3.09Å
420K88.1Confident93.4Very high169 Ų16936 Ų3674%0.73519%0.192SC*.THydrogen-bonded Turntrans-62.9117.4-172-171.3172.7-176.4174.40111.9T259 Q422T259-K420 HydrophobicContact CG2-CB 3.9Å; K420-Q422 PolarHBondContact O-N 3.14Å
421A89.1Confident93.2Very high34 Ų3435.9 Ų35.928%0.28119%0.194SC..THydrogen-bonded Turntrans5437.4177.900000113.7G381 D382 G419G381-A421 PolarHBondContact N-O 3.03Å; D382-A421 PolarHBondContact N-O 3.29Å; D382-A421 CarbonylContact O-C 3.53Å; D382-A421 WeakPolarHBondContact O-CA 3.39Å; G419-A421 PolarHBondContact O-N 3.44Å; G419-A421 VanDerWaalsContact O-N 3.15Å
422Q92.3Very high93.1Very high37 Ų3736.1 Ų36.117%0.17320%0.197CC..EExtended strand (participates in β ladder)trans-150.6150.817865.1-176.830.900112.3V297 K379 D382 T418 G419 K420V297-Q422 HydrophobicContact CG2-CB 4.5Å; K379-Q422 WeakPolarHBondContact O-CA 3.48Å; D382-Q422 PolarHBondContact O-N 2.97Å; T418-Q422 PolarHBondContact N-O 3.17Å; T418-Q422 PolarHBondContact O-NE2 3.1Å; G419-Q422 PolarHBondContact O-N 3.09Å; K420-Q422 PolarHBondContact O-N 3.14Å
423G94.7Very high93Very high0 Ų035.6 Ų35.60%019%0.194CC..EExtended strand (participates in β ladder)trans170.3-170.2169.300000114.5K379 V416 T418K379-G423 PolarHBondContact N-O 3.44Å; K379-G423 PolarHBondContact O-N 3.17Å; K379-G423 VanDerWaalsContact O-N 3.09Å; V416-G423 CarbonylContact O-C 3.59Å; V416-G423 VanDerWaalsContact O-CA 3.32Å; V416-G423 WeakPolarHBondContact O-CA 3.45Å; T418-G423 WeakPolarHBondContact OG1-CA 3.32Å
424L96.9Very high92.7Very high2 Ų235.3 Ų35.31%0.0119%0.192CC..EExtended strand (participates in β ladder)trans-114.4143-171.4-56.1-176.9000111.1V293 L296 P335 L336 V376 I377 C378 C415 V416 T418V293-L424 HydrophobicContact CG2-CD1 4.03Å; L296-L424 HydrophobicContact CD1-CD2 4.17Å; P335-L424 HydrophobicContact CB-CD1 4.13Å; P335-L424 HydrophobicContact CG-CD1 3.88Å; L336-L424 HydrophobicContact CD1-CB 4.12Å; L336-L424 HydrophobicContact CD2-CB 4.22Å; L336-L424 HydrophobicContact CG-CB 4.11Å; V376-L424 HydrophobicContact CG1-CB 3.94Å; V376-L424 HydrophobicContact CG1-CD1 4.27Å; V376-L424 HydrophobicContact CG1-CD2 4Å; V376-L424 HydrophobicContact CG1-CG 4.3Å; I377-L424 CarbonylContact O-C 3.28Å; I377-L424 WeakPolarHBondContact O-CA 3.46Å; C378-L424 HydrophobicContact CB-CD2 3.76Å; C415-L424 WeakPolarHBondContact CA-O 3.46Å; V416-L424 HydrophobicContact CG1-CB 4.01Å; V416-L424 PolarHBondContact N-O 3.18Å; V416-L424 PolarHBondContact O-N 3.33Å; T418-L424 HydrophobicContact CG2-CG 4.34Å
425V96.8Very high92.2Very high13 Ų1331.8 Ų31.88%0.07918%0.179CC..EExtended strand (participates in β ladder)trans-130.9134.5177.1-174.20000109.3I377 K379 L384 F413I377-V425 HydrophobicContact CB-CB 4.27Å; I377-V425 PolarHBondContact N-O 3.47Å; I377-V425 PolarHBondContact O-N 2.61Å; K379-V425 HydrophobicContact CD-CG2 4.07Å; L384-V425 HydrophobicContact CD1-CG2 3.86Å; L384-V425 HydrophobicContact CD2-CG2 4.42Å; F413-V425 HydrophobicContact CD2-CG1 3.65Å; F413-V425 HydrophobicContact CE2-CG1 3.54Å
426E95.8Very high91.8Very high60 Ų6035.2 Ų35.228%0.2819%0.192SC..EExtended strand (participates in β ladder)trans-66.8137.4174.9179.3-175177.100111.6L336 F413 R414L336-E426 HydrophobicContact CD1-CB 4.29Å; F413-E426 HydrophobicContact CB-CB 4.29Å; R414-E426 HydrophobicContact CB-CB 4.23Å; R414-E426 WeakPolarHBondContact CG-OE2 3.48Å; R414-E426 PolarHBondContact N-OE2 3.37Å; R414-E426 WeakPolarHBondContact O-CB 3.38Å; R414-E426 PolarHBondContact O-N 2.92Å
427V94.6Very high91.5Very high39 Ų3934.7 Ų34.724%0.23619%0.189CC..  trans-88.8111.3169-179.70000109.4S375 I377 P429S375-V427 WeakPolarHBondContact O-CB 3.49Å; S375-V427 PolarHBondContact O-N 3.46Å; I377-V427 HydrophobicContact CD1-CG2 3.99Å; I377-V427 HydrophobicContact CG1-CG2 3.46Å; I377-V427 VanDerWaalsContact CG1-CG2 3.46Å; V427-P429 VanDerWaalsContact O-CD 3.27Å; V427-P429 WeakPolarHBondContact O-CD 3.37Å
428V93.8Very high91Very high19 Ų1934.8 Ų34.812%0.11519%0.189CC..  trans-66.6119.7173.3-176.50000110I411 F413 A431 K500 F506I411-V428 HydrophobicContact CG2-CG1 4.47Å; F413-V428 HydrophobicContact CB-CG2 3.75Å; F413-V428 HydrophobicContact CD1-CG2 4.48Å; F413-V428 HydrophobicContact CG-CG2 4.39Å; V428-A431 HydrophobicContact CB-CB 4.1Å; V428-A431 HydrophobicContact CG1-CB 4.01Å; V428-K500 HydrophobicContact CG1-CD 4.1Å; V428-F506 HydrophobicContact CB-CE2 4.39Å; V428-F506 HydrophobicContact CB-CZ 3.78Å; V428-F506 HydrophobicContact CG1-CE1 4.13Å; V428-F506 HydrophobicContact CG1-CZ 3.89Å; V428-F506 HydrophobicContact CG2-CE2 3.92Å; V428-F506 HydrophobicContact CG2-CZ 3.81Å
429P89.8Confident90.4Very high81 Ų8137 Ų3753%0.52620%0.199SC..THydrogen-bonded Turntrans-63.7147.4179.4-22.334.1000112.6V427 A431 K500V427-P429 VanDerWaalsContact O-CD 3.27Å; V427-P429 WeakPolarHBondContact O-CD 3.37Å; P429-A431 PolarHBondContact O-N 3.1Å; P429-K500 WeakPolarHBondContact O-CE 3.23Å
430D88.4Confident89.7Confident88 Ų8839.8 Ų39.847%0.47121%0.21SC..THydrogen-bonded Turntrans56.118.2176.5-53.4-48.1000115.5
431A93.5Very high88.6Confident19 Ų1933.8 Ų33.816%0.15718%0.182CC..EExtended strand (participates in β ladder)trans-93.4139.6174.900000111.1V428 P429 M498 L499 K500 F506V428-A431 HydrophobicContact CB-CB 4.1Å; V428-A431 HydrophobicContact CG1-CB 4.01Å; P429-A431 PolarHBondContact O-N 3.1Å; A431-M498 HydrophobicContact CB-CB 4.47Å; A431-M498 HydrophobicContact CB-CE 3.59Å; A431-M498 HydrophobicContact CB-SD 4.39Å; A431-M498 WeakPolarHBondContact O-CE 3.39Å; A431-L499 WeakPolarHBondContact CA-O 3.04Å; A431-K500 HydrophobicContact CB-CG 4.11Å; A431-F506 HydrophobicContact CB-CE1 3.79Å; A431-F506 HydrophobicContact CB-CZ 3.65Å
432V92.3Very high87.5Confident31 Ų3134 Ų3419%0.18819%0.188CC..EExtended strand (participates in β ladder)trans-131.7140.1178.9-175.10000109K436 I437 W455 M498 L499V432-K436 HydrophobicContact CG1-CB 3.81Å; V432-K436 HydrophobicContact CG1-CD 4.04Å; V432-K436 HydrophobicContact CG1-CG 3.91Å; V432-I437 HydrophobicContact CB-CG1 4.44Å; V432-I437 HydrophobicContact CG1-CG1 3.99Å; V432-W455 HydrophobicContact CB-CZ2 4.44Å; V432-W455 HydrophobicContact CG2-CZ2 4.5Å; V432-M498 CarbonylContact O-C 3.55Å; V432-M498 WeakPolarHBondContact O-CA 3.17Å; V432-L499 PolarHBondContact N-O 2.83Å; V432-L499 PolarHBondContact O-N 2.97Å
433T91.7Very high85.8Confident30 Ų3036.4 Ų36.418%0.18421%0.205CC..EExtended strand (participates in β ladder)trans-67.3145.5175.5660000110.7G435 K436 I437 D495 I497 M498T433-G435 PolarHBondContact O-N 3.45Å; T433-K436 PolarHBondContact O-N 2.57Å; T433-K436 VanDerWaalsContact OG1-CB 3.3Å; T433-K436 WeakPolarHBondContact OG1-CB 3.33Å; T433-K436 PolarHBondContact OG1-N 2.92Å; T433-K436 VanDerWaalsContact OG1-N 3.1Å; T433-I437 PolarHBondContact O-N 3.03Å; T433-I437 VanDerWaalsContact O-N 3.07Å; T433-D495 WeakPolarHBondContact CG2-O 3.36Å; T433-I497 CarbonylContact C-O 3.49Å; T433-I497 WeakPolarHBondContact CA-O 3.49Å; T433-M498 HydrophobicContact CG2-CE 4.31Å; T433-M498 HydrophobicContact CG2-CG 4.07Å
434L89Confident84.2Confident0 Ų039.6 Ų39.60%023%0.227CC..Hα-helixtrans-57.3-36.9174.718059.8000110.9K436 I437 H438 L452 N494 I497 L499 M536L434-K436 PolarHBondContact O-N 3.31Å; L434-I437 WeakPolarHBondContact O-CB 3.39Å; L434-I437 PolarHBondContact O-N 3.37Å; L434-I437 VanDerWaalsContact O-N 3.15Å; L434-H438 PolarHBondContact O-N 3Å; L434-L452 HydrophobicContact CD1-CD1 4.48Å; L434-L452 HydrophobicContact CD1-CD2 3.63Å; L434-L452 HydrophobicContact CD1-CG 4.22Å; L434-N494 HydrophobicContact CB-CB 4.15Å; L434-N494 WeakPolarHBondContact CB-O 3.42Å; L434-N494 HydrophobicContact CD2-CB 4.33Å; L434-N494 HydrophobicContact CG-CB 4.11Å; L434-N494 PolarHBondContact N-O 2.92Å; L434-I497 HydrophobicContact CB-CB 4.37Å; L434-I497 PolarHBondContact N-O 3.03Å; L434-L499 HydrophobicContact CD1-CD1 4.14Å; L434-M536 HydrophobicContact CD2-CE 4.03Å
435G85.9Confident82.4Confident0 Ų039.5 Ų39.50%023%0.227CC..Hα-helixtrans-60.1-43.5174.300000112.7T433 I437 H438 Q439 N494 D495T433-G435 PolarHBondContact O-N 3.45Å; G435-I437 VanDerWaalsContact C-N 3.31Å; G435-I437 PolarHBondContact O-N 3.24Å; G435-H438 PolarHBondContact O-N 2.93Å; G435-Q439 VanDerWaalsContact O-CG 3.29Å; G435-Q439 WeakPolarHBondContact O-CG 3.28Å; G435-Q439 PolarHBondContact O-N 3.08Å; G435-N494 PolarHBondContact N-O 3.17Å; G435-D495 WeakPolarHBondContact CA-OD1 3.43Å
436K86.2Confident80.6Confident87 Ų8739.4 Ų39.438%0.37823%0.226SC..Hα-helixtrans-66.8-31.2175.7-174.8166.6-173.2171.80112.3V432 T433 L434 Q440 D641V432-K436 HydrophobicContact CG1-CB 3.81Å; V432-K436 HydrophobicContact CG1-CD 4.04Å; V432-K436 HydrophobicContact CG1-CG 3.91Å; T433-K436 PolarHBondContact O-N 2.57Å; T433-K436 VanDerWaalsContact OG1-CB 3.3Å; T433-K436 WeakPolarHBondContact OG1-CB 3.33Å; T433-K436 PolarHBondContact OG1-N 2.92Å; T433-K436 VanDerWaalsContact OG1-N 3.1Å; L434-K436 PolarHBondContact O-N 3.31Å; K436-Q440 WeakPolarHBondContact O-CG 3.42Å; K436-D641 IonicContact NZ-OD2 2.65Å; K436-D641 PolarHBondContact NZ-OD2 3.23Å
437I86.9Confident79Confident0 Ų040.8 Ų40.80%024%0.235CC..Hα-helixtrans-66-48173.4-64.8167.6000110.1V432 T433 L434 G435 Q439 Q440 T451 W455 L499V432-I437 HydrophobicContact CB-CG1 4.44Å; V432-I437 HydrophobicContact CG1-CG1 3.99Å; T433-I437 PolarHBondContact O-N 3.03Å; T433-I437 VanDerWaalsContact O-N 3.07Å; L434-I437 WeakPolarHBondContact O-CB 3.39Å; L434-I437 PolarHBondContact O-N 3.37Å; L434-I437 VanDerWaalsContact O-N 3.15Å; G435-I437 VanDerWaalsContact C-N 3.31Å; G435-I437 PolarHBondContact O-N 3.24Å; I437-Q439 VanDerWaalsContact C-N 3.34Å; I437-Q439 PolarHBondContact O-N 2.94Å; I437-Q440 WeakPolarHBondContact O-CB 3.37Å; I437-Q440 PolarHBondContact O-N 3.03Å; I437-T451 HydrophobicContact CG2-CG2 4.08Å; I437-W455 HydrophobicContact CD1-CD2 3.78Å; I437-W455 HydrophobicContact CD1-CE3 3.96Å; I437-W455 HydrophobicContact CD1-CG 4.41Å; I437-W455 HydrophobicContact CD1-CH2 3.93Å; I437-W455 HydrophobicContact CD1-CZ2 3.77Å; I437-W455 HydrophobicContact CD1-CZ3 4.02Å; I437-W455 HydrophobicContact CG1-CD2 4.16Å; I437-W455 HydrophobicContact CG1-CG 4.39Å; I437-W455 HydrophobicContact CG1-CZ2 4.16Å; I437-W455 HydrophobicContact CG2-CB 3.97Å; I437-W455 HydrophobicContact CG2-CD2 4.24Å; I437-W455 HydrophobicContact CG2-CG 3.73Å; I437-L499 HydrophobicContact CD1-CB 4.19Å; I437-L499 HydrophobicContact CD1-CD1 3.77Å; I437-L499 HydrophobicContact CD1-CG 4.46Å
438H83.2Confident77.8Confident3 Ų342.9 Ų42.91%0.01424%0.239CC..Hα-helixtrans-61.4-40177.5-66.5151.8000112.8L434 G435 Q440 W441 T446 N494 E535L434-H438 PolarHBondContact O-N 3Å; G435-H438 PolarHBondContact O-N 2.93Å; H438-Q440 PolarHBondContact O-N 2.64Å; H438-Q440 VanDerWaalsContact O-N 3.13Å; H438-W441 PolarHBondContact O-N 3.43Å; H438-T446 HydrophobicContact CB-CG2 3.81Å; H438-N494 PolarHBondContact CE1-ND2 2.9Å; H438-N494 PolarHBondContact ND1-ND2 3.31Å; H438-E535 IonicContact CD2-OE1 3.86Å; H438-E535 IonicContact CE1-OE2 2.66Å; H438-E535 PolarHBondContact CE1-OE2 3.1Å; H438-E535 VanDerWaalsContact CE1-OE2 3.3Å; H438-E535 IonicContact NE2-OE1 2.83Å; H438-E535 PolarHBondContact NE2-OE1 2.77Å; H438-E535 IonicContact NE2-OE2 2.99Å; H438-E535 PolarHBondContact NE2-OE2 3.22Å
439Q79.3Confident77Confident58 Ų5844.4 Ų44.427%0.27125%0.248SC..Hα-helixtrans-59.5-23.6178-74.6173.52000113.6G435 I437 W441 G442 T633G435-Q439 VanDerWaalsContact O-CG 3.29Å; G435-Q439 WeakPolarHBondContact O-CG 3.28Å; G435-Q439 PolarHBondContact O-N 3.08Å; I437-Q439 VanDerWaalsContact C-N 3.34Å; I437-Q439 PolarHBondContact O-N 2.94Å; Q439-W441 PolarHBondContact O-N 2.77Å; Q439-W441 VanDerWaalsContact O-N 3.16Å; Q439-G442 PolarHBondContact O-N 3.06Å; Q439-G442 VanDerWaalsContact O-N 3.08Å; Q439-T633 HydrophobicContact CG-CG2 4.29Å
440Q74.6Confident76.5Confident66 Ų6642.2 Ų42.231%0.30823%0.232SC..THydrogen-bonded Turntrans-62.3-21.5175.9-60.2-175.613.100112.7K436 I437 H438K436-Q440 WeakPolarHBondContact O-CG 3.42Å; I437-Q440 WeakPolarHBondContact O-CB 3.37Å; I437-Q440 PolarHBondContact O-N 3.03Å; H438-Q440 PolarHBondContact O-N 2.64Å; H438-Q440 VanDerWaalsContact O-N 3.13Å
441W66.8Low76.3Confident42 Ų4238 Ų3816%0.15921%0.21CC..THydrogen-bonded Turntrans-104.813.6179.2-64.589.5000113.1H438 Q439 R448 T451 K454 I704H438-W441 PolarHBondContact O-N 3.43Å; Q439-W441 PolarHBondContact O-N 2.77Å; Q439-W441 VanDerWaalsContact O-N 3.16Å; W441-R448 VanDerWaalsContact CE3-NH1 3.28Å; W441-T451 HydrophobicContact CG-CG2 4.47Å; W441-K454 HydrophobicContact CH2-CD 3.56Å; W441-K454 HydrophobicContact CZ2-CB 4.02Å; W441-K454 HydrophobicContact CZ2-CD 3.59Å; W441-K454 HydrophobicContact CZ2-CG 4.46Å; W441-I704 HydrophobicContact CD2-CD1 4.49Å; W441-I704 HydrophobicContact CD2-CG1 4.49Å; W441-I704 HydrophobicContact CD2-CG2 4.2Å; W441-I704 HydrophobicContact CE3-CG2 3.92Å; W441-I704 VanDerWaalsContact CH2-CA 3.47Å; W441-I704 HydrophobicContact CH2-CB 3.87Å; W441-I704 HydrophobicContact CH2-CG1 3.81Å; W441-I704 HydrophobicContact CH2-CG2 3.86Å; W441-I704 HydrophobicContact CZ2-CB 4.02Å; W441-I704 HydrophobicContact CZ2-CD1 4.08Å; W441-I704 HydrophobicContact CZ2-CG1 3.4Å; W441-I704 HydrophobicContact CZ2-CG2 4.15Å; W441-I704 HydrophobicContact CZ3-CB 4.21Å; W441-I704 HydrophobicContact CZ3-CG1 4.44Å; W441-I704 HydrophobicContact CZ3-CG2 3.66Å
442G65.7Low75.9Confident39 Ų3937.2 Ų37.240%0.40220%0.203SC..  trans73.8-168.2-177.500000113.5Q439 S444 G445Q439-G442 PolarHBondContact O-N 3.06Å; Q439-G442 VanDerWaalsContact O-N 3.08Å; G442-S444 PolarHBondContact O-N 3.15Å; G442-S444 VanDerWaalsContact O-N 3.13Å; G442-G445 PolarHBondContact O-N 3.4Å
443V56.9Low75.6Confident87 Ų8737.2 Ų37.253%0.52720%0.201SC..THydrogen-bonded Turntrans-61.2-24.3-174.9-172.20000112.5F630 M634V443-F630 HydrophobicContact CG1-CE2 3.84Å; V443-F630 HydrophobicContact CG1-CZ 4.15Å; V443-M634 HydrophobicContact CG1-CG 4.21Å
444S59.8Low75.2Confident67 Ų6736.3 Ų36.347%0.46919%0.194SC..THydrogen-bonded Turntrans-85.5-4.8177.7-167.90000114.1G442 T446 L447G442-S444 PolarHBondContact O-N 3.15Å; G442-S444 VanDerWaalsContact O-N 3.13Å; S444-T446 VanDerWaalsContact C-N 3.28Å; S444-T446 PolarHBondContact O-N 2.89Å; S444-L447 PolarHBondContact O-N 3.34Å; S444-L447 VanDerWaalsContact O-N 3.07Å
445G59.5Low75.1Confident0 Ų036.4 Ų36.40%020%0.195CC..G310 helixtrans-61-32.5-175.800000114.2G442 L447 R448 T451G442-G445 PolarHBondContact O-N 3.4Å; G445-L447 PolarHBondContact O-N 2.76Å; G445-R448 PolarHBondContact O-N 2.85Å; G445-T451 PolarHBondContact O-OG1 3.04Å
446T59.6Low75.1Confident11 Ų1136.4 Ų36.47%0.06720%0.195CC..G310 helixtrans-72.1-14.4176.957.70000113.8H438 S444 T633H438-T446 HydrophobicContact CB-CG2 3.81Å; S444-T446 VanDerWaalsContact C-N 3.28Å; S444-T446 PolarHBondContact O-N 2.89Å; T446-T633 HydrophobicContact CG2-CG2 4.27Å; T446-T633 WeakPolarHBondContact CG2-OG1 3.21Å
447L62.1Low74.9Confident90 Ų9033.2 Ų33.247%0.47118%0.181SC..G310 helixtrans-94.6-16179.2-62.3173.5000112.3S444 G445 F630S444-L447 PolarHBondContact O-N 3.34Å; S444-L447 VanDerWaalsContact O-N 3.07Å; G445-L447 PolarHBondContact O-N 2.76Å; L447-F630 HydrophobicContact CD1-CD2 4.49Å; L447-F630 HydrophobicContact CD1-CE2 4.32Å; L447-F630 HydrophobicContact CG-CD2 4.47Å
448R69.7Low74.5Confident82 Ų8234.9 Ų34.931%0.30919%0.189SC..  trans-77.8141.6176.5-81.7-167.6158.7-160.7-7.1110.8W441 G445 D450 T451 E705W441-R448 VanDerWaalsContact CE3-NH1 3.28Å; G445-R448 PolarHBondContact O-N 2.85Å; R448-D450 WeakPolarHBondContact CB-OD1 3.26Å; R448-T451 VanDerWaalsContact CB-OG1 3.25Å; R448-T451 WeakPolarHBondContact CB-OG1 3.34Å; R448-E705 IonicContact NH2-OE1 2.64Å
449V76.2Confident74.4Confident51 Ų5136.8 Ų36.831%0.30920%0.199SC..SBendtrans-98.8-16.8-175.6-1670000111.3E535 H538V449-E535 WeakPolarHBondContact O-CG 3.34Å; V449-H538 HydrophobicContact CG1-CB 3.53Å; V449-H538 PolarHBondContact O-CD2 3.07Å
450D78.8Confident74.5Confident36 Ų3635.3 Ų35.319%0.19319%0.193CC..SBendtrans-98.61.9-177.362.5-32.7000113.6R448 E453 K454R448-D450 WeakPolarHBondContact CB-OD1 3.26Å; D450-E453 PolarHBondContact O-N 2.68Å; D450-K454 WeakPolarHBondContact O-CG 3.49Å; D450-K454 PolarHBondContact O-N 3.27Å; D450-K454 VanDerWaalsContact O-N 3.09Å; D450-K454 WeakPolarHBondContact OD2-CE 3.31Å; D450-K454 IonicContact OD2-NZ 3.79Å; D450-K454 PolarHBondContact OD2-NZ 2.92Å
451T83.6Confident74.6Confident0 Ų036 Ų360%019%0.193CC..Hα-helixtrans-63.9-46.5-173.4-62.20000112.3I437 W441 G445 R448 W455 E535I437-T451 HydrophobicContact CG2-CG2 4.08Å; W441-T451 HydrophobicContact CG-CG2 4.47Å; G445-T451 PolarHBondContact O-OG1 3.04Å; R448-T451 VanDerWaalsContact CB-OG1 3.25Å; R448-T451 WeakPolarHBondContact CB-OG1 3.34Å; T451-W455 WeakPolarHBondContact O-CB 3.29Å; T451-W455 PolarHBondContact O-N 2.78Å; T451-E535 VanDerWaalsContact CB-OE1 3.27Å; T451-E535 WeakPolarHBondContact CB-OE1 3.26Å
452L86.6Confident75Confident1 Ų136 Ų361%0.00520%0.198CC..Hα-helixtrans-61.1-48.3176.4-80.2179.5000112.9L434 K454 W455 F456 L499 E535 M536 F539L434-L452 HydrophobicContact CD1-CD1 4.48Å; L434-L452 HydrophobicContact CD1-CD2 3.63Å; L434-L452 HydrophobicContact CD1-CG 4.22Å; L452-K454 PolarHBondContact O-N 2.98Å; L452-W455 PolarHBondContact O-N 3.3Å; L452-W455 VanDerWaalsContact O-N 3.15Å; L452-F456 HydrophobicContact CD2-CE2 4.43Å; L452-F456 WeakPolarHBondContact O-CD2 3.48Å; L452-F456 PolarHBondContact O-N 2.84Å; L452-L499 HydrophobicContact CD2-CD1 3.39Å; L452-E535 HydrophobicContact CB-CG 4.27Å; L452-E535 HydrophobicContact CD1-CG 3.99Å; L452-E535 HydrophobicContact CG-CG 4.01Å; L452-E535 WeakPolarHBondContact CG-OE1 3.38Å; L452-E535 PolarHBondContact N-OE1 3.48Å; L452-M536 HydrophobicContact CD1-CG 4.05Å; L452-F539 HydrophobicContact CB-CB 4.11Å; L452-F539 HydrophobicContact CB-CG 4.22Å
453E84.7Confident75.6Confident32 Ų3240.8 Ų40.815%0.1521%0.207CC..Hα-helixtrans-55.7-51.1179.2174.5166.8-154.600111.2D450 W455 F456 H457 H538 F539D450-E453 PolarHBondContact O-N 2.68Å; E453-W455 VanDerWaalsContact C-N 3.33Å; E453-W455 PolarHBondContact O-N 3.34Å; E453-F456 PolarHBondContact O-N 3.49Å; E453-H457 PolarHBondContact O-CD2 3.2Å; E453-H457 PolarHBondContact O-N 3.48Å; E453-H538 IonicContact OE2-CD2 3.59Å; E453-H538 PolarHBondContact OE2-CD2 3.29Å; E453-H538 IonicContact OE2-NE2 2.81Å; E453-H538 PolarHBondContact OE2-NE2 3.24Å; E453-F539 HydrophobicContact CB-CD2 4.06Å
454K83.3Confident76.6Confident10 Ų1044.2 Ų44.24%0.04322%0.218CC..Hα-helixtrans-63.3-37.4176.9-70.7179.7171.51710113W441 D450 L452 M458 Q700 T701W441-K454 HydrophobicContact CH2-CD 3.56Å; W441-K454 HydrophobicContact CZ2-CB 4.02Å; W441-K454 HydrophobicContact CZ2-CD 3.59Å; W441-K454 HydrophobicContact CZ2-CG 4.46Å; D450-K454 WeakPolarHBondContact O-CG 3.49Å; D450-K454 PolarHBondContact O-N 3.27Å; D450-K454 VanDerWaalsContact O-N 3.09Å; D450-K454 WeakPolarHBondContact OD2-CE 3.31Å; D450-K454 IonicContact OD2-NZ 3.79Å; D450-K454 PolarHBondContact OD2-NZ 2.92Å; L452-K454 PolarHBondContact O-N 2.98Å; K454-M458 WeakPolarHBondContact O-CG 3.4Å; K454-M458 PolarHBondContact O-N 3.04Å; K454-M458 VanDerWaalsContact O-N 3.14Å; K454-Q700 PolarHBondContact NZ-O 2.94Å; K454-T701 WeakPolarHBondContact CE-O 3.31Å
455W86.7Confident77.7Confident3 Ų342 Ų421%0.01121%0.206CC..Hα-helixtrans-63.3-45.1177.5-177.278000111.5V432 I437 T451 L452 E453 M458 L459 L499 H501V432-W455 HydrophobicContact CB-CZ2 4.44Å; V432-W455 HydrophobicContact CG2-CZ2 4.5Å; I437-W455 HydrophobicContact CD1-CD2 3.78Å; I437-W455 HydrophobicContact CD1-CE3 3.96Å; I437-W455 HydrophobicContact CD1-CG 4.41Å; I437-W455 HydrophobicContact CD1-CH2 3.93Å; I437-W455 HydrophobicContact CD1-CZ2 3.77Å; I437-W455 HydrophobicContact CD1-CZ3 4.02Å; I437-W455 HydrophobicContact CG1-CD2 4.16Å; I437-W455 HydrophobicContact CG1-CG 4.39Å; I437-W455 HydrophobicContact CG1-CZ2 4.16Å; I437-W455 HydrophobicContact CG2-CB 3.97Å; I437-W455 HydrophobicContact CG2-CD2 4.24Å; I437-W455 HydrophobicContact CG2-CG 3.73Å; T451-W455 WeakPolarHBondContact O-CB 3.29Å; T451-W455 PolarHBondContact O-N 2.78Å; L452-W455 PolarHBondContact O-N 3.3Å; L452-W455 VanDerWaalsContact O-N 3.15Å; E453-W455 VanDerWaalsContact C-N 3.33Å; E453-W455 PolarHBondContact O-N 3.34Å; W455-M458 PolarHBondContact O-N 3.29Å; W455-L459 HydrophobicContact CD2-CD1 3.72Å; W455-L459 HydrophobicContact CE3-CD1 4.01Å; W455-L459 HydrophobicContact CG-CD1 4.4Å; W455-L459 HydrophobicContact CH2-CD1 3.76Å; W455-L459 HydrophobicContact CZ2-CD1 3.41Å; W455-L459 VanDerWaalsContact CZ2-CD1 3.41Å; W455-L459 HydrophobicContact CZ3-CD1 4.04Å; W455-L459 WeakPolarHBondContact O-CG 3.32Å; W455-L499 HydrophobicContact CH2-CB 4.03Å; W455-L499 HydrophobicContact CZ3-CB 3.96Å; W455-L499 HydrophobicContact CZ3-CD1 4.48Å; W455-H501 AromaticContact CH2-CD2 3.86Å; W455-H501 AromaticContact CZ2-CD2 3.75Å
456F87.4Confident79Confident0 Ų042.9 Ų42.90%021%0.209CC..Hα-helixtrans-68.6-38.1177.5-82.2-67.2000113.1L452 E453 M458 L459 N460 Y466 A469 F473 L499 G503 F539L452-F456 HydrophobicContact CD2-CE2 4.43Å; L452-F456 WeakPolarHBondContact O-CD2 3.48Å; L452-F456 PolarHBondContact O-N 2.84Å; E453-F456 PolarHBondContact O-N 3.49Å; F456-M458 PolarHBondContact O-N 2.93Å; F456-L459 PolarHBondContact O-N 3.22Å; F456-N460 WeakPolarHBondContact O-CB 3.48Å; F456-N460 PolarHBondContact O-N 2.87Å; F456-N460 PolarHBondContact O-ND2 3.4Å; F456-Y466 HydrophobicContact CB-CD2 4.13Å; F456-Y466 HydrophobicContact CB-CE2 3.77Å; F456-A469 HydrophobicContact CD1-CB 4.11Å; F456-A469 HydrophobicContact CE1-CB 4.4Å; F456-F473 HydrophobicContact CE2-CD2 4.4Å; F456-F473 HydrophobicContact CZ-CD2 4.45Å; F456-L499 HydrophobicContact CE2-CD1 4.43Å; F456-G503 VanDerWaalsContact CE1-CA 3.49Å; F456-F539 HydrophobicContact CB-CE2 3.87Å; F456-F539 HydrophobicContact CB-CZ 4.01Å; F456-F539 HydrophobicContact CD1-CZ 4.41Å; F456-F539 HydrophobicContact CD2-CD1 4.27Å; F456-F539 HydrophobicContact CD2-CD2 4.22Å; F456-F539 AromaticContact CD2-CE1 3.54Å; F456-F539 HydrophobicContact CD2-CE1 3.54Å; F456-F539 AromaticContact CD2-CE2 3.48Å; F456-F539 HydrophobicContact CD2-CE2 3.48Å; F456-F539 VanDerWaalsContact CD2-CE2 3.48Å; F456-F539 AromaticContact CD2-CZ 3.09Å; F456-F539 HydrophobicContact CD2-CZ 3.09Å; F456-F539 HydrophobicContact CE2-CD1 4.22Å; F456-F539 AromaticContact CE2-CE1 3.48Å; F456-F539 HydrophobicContact CE2-CE1 3.48Å; F456-F539 VanDerWaalsContact CE2-CE1 3.48Å; F456-F539 HydrophobicContact CE2-CE2 4.29Å; F456-F539 AromaticContact CE2-CZ 3.53Å; F456-F539 HydrophobicContact CE2-CZ 3.53Å; F456-F539 HydrophobicContact CG-CE1 4.4Å; F456-F539 AromaticContact CG-CE2 3.93Å; F456-F539 HydrophobicContact CG-CE2 3.93Å; F456-F539 AromaticContact CG-CZ 3.59Å; F456-F539 HydrophobicContact CG-CZ 3.59Å; F456-F539 HydrophobicContact CZ-CE1 4.31Å; F456-F539 HydrophobicContact CZ-CZ 4.35Å
457H81.5Confident80.2Confident19 Ų1944.2 Ų44.29%0.08821%0.214CC..Hα-helixtrans-59.7-45.1174.4-83.6-57.3000112.5E453 L459 N460 Y466 Y702E453-H457 PolarHBondContact O-CD2 3.2Å; E453-H457 PolarHBondContact O-N 3.48Å; H457-L459 PolarHBondContact O-N 3.45Å; H457-L459 VanDerWaalsContact O-N 3.14Å; H457-N460 PolarHBondContact O-N 2.99Å; H457-Y466 AromaticContact CD2-CE2 3.77Å; H457-Y466 AromaticContact CD2-CZ 3.93Å; H457-Y466 AromaticContact CE1-CD1 3.75Å; H457-Y466 AromaticContact CE1-CD2 3.71Å; H457-Y466 AromaticContact CE1-CE1 3.49Å; H457-Y466 VanDerWaalsContact CE1-CE1 3.49Å; H457-Y466 WeakPolarHBondContact CE1-CE1 3.46Å; H457-Y466 AromaticContact CE1-CE2 3.46Å; H457-Y466 VanDerWaalsContact CE1-CE2 3.46Å; H457-Y466 WeakPolarHBondContact CE1-CE2 3.25Å; H457-Y466 AromaticContact CE1-CG 3.84Å; H457-Y466 AromaticContact CE1-CZ 3.35Å; H457-Y466 AromaticContact CG-CE2 3.75Å; H457-Y466 AromaticContact ND1-CD2 3.52Å; H457-Y466 AromaticContact ND1-CE2 3.56Å; H457-Y466 AromaticContact ND1-CG 3.89Å; H457-Y466 AromaticContact ND1-CZ 3.95Å; H457-Y466 AromaticContact NE2-CE1 3.81Å; H457-Y466 AromaticContact NE2-CE2 3.61Å; H457-Y466 AromaticContact NE2-CZ 3.32Å; H457-Y466 VanDerWaalsContact NE2-CZ 3.32Å; H457-Y466 PolarHBondContact NE2-OH 3.3Å; H457-Y702 HydrophobicContact CB-CD1 4.44Å; H457-Y702 AromaticContact CD2-CD1 3.99Å; H457-Y702 AromaticContact CE1-CD1 3.97Å; H457-Y702 AromaticContact CE1-CE1 3.37Å; H457-Y702 WeakPolarHBondContact CE1-CE1 3.17Å; H457-Y702 AromaticContact CG-CD1 3.87Å; H457-Y702 AromaticContact ND1-CD1 3.85Å; H457-Y702 AromaticContact ND1-CE1 3.65Å; H457-Y702 AromaticContact NE2-CE1 3.62Å
458M78.2Confident81.6Confident35 Ų3546.7 Ų46.717%0.17222%0.221CC..Hα-helixtrans-62-24.4178.7-74.2-169.3-64.500114.4K454 W455 F456 F703 I704K454-M458 WeakPolarHBondContact O-CG 3.4Å; K454-M458 PolarHBondContact O-N 3.04Å; K454-M458 VanDerWaalsContact O-N 3.14Å; W455-M458 PolarHBondContact O-N 3.29Å; F456-M458 PolarHBondContact O-N 2.93Å; M458-F703 HydrophobicContact CG-CD1 3.92Å; M458-F703 HydrophobicContact CG-CE1 4.41Å; M458-I704 HydrophobicContact CE-CD1 3.37Å; M458-I704 HydrophobicContact CE-CG1 3.55Å; M458-I704 HydrophobicContact SD-CB 4.41Å; M458-I704 HydrophobicContact SD-CD1 3.86Å; M458-I704 HydrophobicContact SD-CG1 3.6Å
459L80.9Confident82.7Confident43 Ų4342.9 Ų42.923%0.22521%0.207CC..Hα-helixtrans-96.8-27.2-176.5-66.9170.3000112.4W455 F456 H457 H501W455-L459 HydrophobicContact CD2-CD1 3.72Å; W455-L459 HydrophobicContact CE3-CD1 4.01Å; W455-L459 HydrophobicContact CG-CD1 4.4Å; W455-L459 HydrophobicContact CH2-CD1 3.76Å; W455-L459 HydrophobicContact CZ2-CD1 3.41Å; W455-L459 VanDerWaalsContact CZ2-CD1 3.41Å; W455-L459 HydrophobicContact CZ3-CD1 4.04Å; W455-L459 WeakPolarHBondContact O-CG 3.32Å; F456-L459 PolarHBondContact O-N 3.22Å; H457-L459 PolarHBondContact O-N 3.45Å; H457-L459 VanDerWaalsContact O-N 3.14Å; L459-H501 HydrophobicContact CD1-CB 4.27Å; L459-H501 WeakPolarHBondContact CD1-CD2 3.49Å
460N82.2Confident83.6Confident28 Ų2840.4 Ų40.415%0.1519%0.192CC..  trans-113.597.1-176.4-65.1-76.7000110.3F456 H457 Y466 H501F456-N460 WeakPolarHBondContact O-CB 3.48Å; F456-N460 PolarHBondContact O-N 2.87Å; F456-N460 PolarHBondContact O-ND2 3.4Å; H457-N460 PolarHBondContact O-N 2.99Å; N460-Y466 HydrophobicContact CB-CD2 4.5Å; N460-H501 PolarHBondContact ND2-O 3.2Å
461R76Confident84.3Confident81 Ų8141.7 Ų41.731%0.30620%0.198SC..  trans-77.8-19.7-170.6-66.9-178.5-178.9-174.3-6.2115.1K741 G742 E744R461-K741 PolarHBondContact NH1-O 2.8Å; R461-G742 WeakPolarHBondContact CB-O 3.3Å; R461-G742 WeakPolarHBondContact CD-O 3.39Å; R461-E744 WeakPolarHBondContact O-CB 3.48Å; R461-E744 PolarHBondContact O-N 3.1Å
462T76.7Confident85Confident41 Ų4142.3 Ų42.325%0.25220%0.201SC..SBendtrans-104.5148.9176.862.40000109.4E464 G465 Y466 E744T462-E464 VanDerWaalsContact C-N 3.27Å; T462-E464 PolarHBondContact O-N 3.38Å; T462-G465 PolarHBondContact O-N 3.23Å; T462-G465 PolarHBondContact OG1-N 2.9Å; T462-Y466 PolarHBondContact O-N 3.38Å; T462-E744 VanDerWaalsContact CA-OE2 3.31Å; T462-E744 WeakPolarHBondContact CA-OE2 3.4Å
463K76.5Confident85.5Confident139 Ų13942.2 Ų42.260%0.60420%0.201SC*.Hα-helixtrans-57.5-45174.9-176-179.6177.1-175.20110.4G465 Y466 E467 E744K463-G465 PolarHBondContact O-N 3.35Å; K463-Y466 PolarHBondContact O-N 2.82Å; K463-E467 HydrophobicContact CG-CG 4.42Å; K463-E467 WeakPolarHBondContact O-CB 3.11Å; K463-E467 WeakPolarHBondContact O-CG 3.43Å; K463-E467 PolarHBondContact O-N 3.43Å; K463-E744 PolarHBondContact N-OE2 3.17Å
464E78.8Confident86Confident160 Ų16040.7 Ų40.775%0.74819%0.194SC*.Hα-helixtrans-60.1-43.3176.9-65.8178.1179.600112.7T462 E467 K468T462-E464 VanDerWaalsContact C-N 3.27Å; T462-E464 PolarHBondContact O-N 3.38Å; E464-E467 PolarHBondContact O-N 3.23Å; E464-K468 WeakPolarHBondContact O-CB 3.39Å; E464-K468 PolarHBondContact O-N 3.18Å
465G82.3Confident86.7Confident21 Ų2142.2 Ų42.222%0.21620%0.201CC..Hα-helixtrans-64.7-42.1178.300000112.1T462 K463 K468 A469T462-G465 PolarHBondContact O-N 3.23Å; T462-G465 PolarHBondContact OG1-N 2.9Å; K463-G465 PolarHBondContact O-N 3.35Å; G465-K468 PolarHBondContact O-N 3.26Å; G465-A469 PolarHBondContact O-N 3.04Å
466Y86.6Confident87.3Confident18 Ų1842.1 Ų42.17%0.07120%0.2CC..Hα-helixtrans-63.8-46175.5178.2-100.7000111.3F456 H457 N460 T462 K463 K468 A469 V470 F539F456-Y466 HydrophobicContact CB-CD2 4.13Å; F456-Y466 HydrophobicContact CB-CE2 3.77Å; H457-Y466 AromaticContact CD2-CE2 3.77Å; H457-Y466 AromaticContact CD2-CZ 3.93Å; H457-Y466 AromaticContact CE1-CD1 3.75Å; H457-Y466 AromaticContact CE1-CD2 3.71Å; H457-Y466 AromaticContact CE1-CE1 3.49Å; H457-Y466 VanDerWaalsContact CE1-CE1 3.49Å; H457-Y466 WeakPolarHBondContact CE1-CE1 3.46Å; H457-Y466 AromaticContact CE1-CE2 3.46Å; H457-Y466 VanDerWaalsContact CE1-CE2 3.46Å; H457-Y466 WeakPolarHBondContact CE1-CE2 3.25Å; H457-Y466 AromaticContact CE1-CG 3.84Å; H457-Y466 AromaticContact CE1-CZ 3.35Å; H457-Y466 AromaticContact CG-CE2 3.75Å; H457-Y466 AromaticContact ND1-CD2 3.52Å; H457-Y466 AromaticContact ND1-CE2 3.56Å; H457-Y466 AromaticContact ND1-CG 3.89Å; H457-Y466 AromaticContact ND1-CZ 3.95Å; H457-Y466 AromaticContact NE2-CE1 3.81Å; H457-Y466 AromaticContact NE2-CE2 3.61Å; H457-Y466 AromaticContact NE2-CZ 3.32Å; H457-Y466 VanDerWaalsContact NE2-CZ 3.32Å; H457-Y466 PolarHBondContact NE2-OH 3.3Å; N460-Y466 HydrophobicContact CB-CD2 4.5Å; T462-Y466 PolarHBondContact O-N 3.38Å; K463-Y466 PolarHBondContact O-N 2.82Å; Y466-K468 VanDerWaalsContact C-N 3.34Å; Y466-K468 PolarHBondContact O-N 2.89Å; Y466-A469 WeakPolarHBondContact O-CB 3.45Å; Y466-A469 PolarHBondContact O-N 3.14Å; Y466-A469 VanDerWaalsContact O-N 3.11Å; Y466-V470 HydrophobicContact CD1-CG2 4.12Å; Y466-V470 HydrophobicContact CE1-CG2 3.69Å; Y466-V470 HydrophobicContact CE2-CG2 4.28Å; Y466-V470 WeakPolarHBondContact O-CG2 3.44Å; Y466-V470 PolarHBondContact O-N 3.45Å; Y466-F539 AromaticContact CE2-CE2 3.97Å; Y466-F539 HydrophobicContact CE2-CE2 3.97Å; Y466-F539 AromaticContact CZ-CE2 3.94Å; Y466-F539 WeakPolarHBondContact OH-CE2 3.37Å
467E86.6Confident87.7Confident38 Ų3842.1 Ų42.118%0.17820%0.2CC..Hα-helixtrans-63.9-39.8178.9-65.8-67.5-156.300112.2K463 E464 A469 V470 M471 K546 R549K463-E467 HydrophobicContact CG-CG 4.42Å; K463-E467 WeakPolarHBondContact O-CB 3.11Å; K463-E467 WeakPolarHBondContact O-CG 3.43Å; K463-E467 PolarHBondContact O-N 3.43Å; E464-E467 PolarHBondContact O-N 3.23Å; E467-A469 VanDerWaalsContact C-N 3.32Å; E467-A469 PolarHBondContact O-N 3.07Å; E467-V470 PolarHBondContact O-N 3.28Å; E467-M471 WeakPolarHBondContact O-CG 3.38Å; E467-M471 PolarHBondContact O-N 2.96Å; E467-K546 IonicContact OE1-NZ 3.12Å; E467-K546 PolarHBondContact OE1-NZ 3.09Å; E467-K546 IonicContact OE2-NZ 2.89Å; E467-R549 IonicContact OE1-CZ 2.67Å; E467-R549 IonicContact OE1-NH1 2.68Å; E467-R549 IonicContact OE1-NH2 2.81Å; E467-R549 PolarHBondContact OE1-NH2 3.39Å; E467-R549 IonicContact OE2-CZ 3.53Å; E467-R549 IonicContact OE2-NH1 3.45Å; E467-R549 PolarHBondContact OE2-NH1 2.94Å; E467-R549 IonicContact OE2-NH2 3.32Å; E467-R549 PolarHBondContact OE2-NH2 3.5Å
468K90.8Very high88.4Confident143 Ų14341.2 Ų41.262%0.62220%0.196SC*.Hα-helixtrans-60.2-42.4171.9-174.2173.7-177.2173.30111.7E464 G465 Y466 M471 N472E464-K468 WeakPolarHBondContact O-CB 3.39Å; E464-K468 PolarHBondContact O-N 3.18Å; G465-K468 PolarHBondContact O-N 3.26Å; Y466-K468 VanDerWaalsContact C-N 3.34Å; Y466-K468 PolarHBondContact O-N 2.89Å; K468-M471 PolarHBondContact O-N 3.41Å; K468-N472 WeakPolarHBondContact O-CB 3.27Å; K468-N472 PolarHBondContact O-N 3.25Å; K468-N472 PolarHBondContact O-ND2 3.02Å
469A93.1Very high89.3Confident1 Ų139.5 Ų39.51%0.00819%0.188CC..Hα-helixtrans-64-40.6176.600000112.2F456 G465 Y466 E467 F473 G503F456-A469 HydrophobicContact CD1-CB 4.11Å; F456-A469 HydrophobicContact CE1-CB 4.4Å; G465-A469 PolarHBondContact O-N 3.04Å; Y466-A469 WeakPolarHBondContact O-CB 3.45Å; Y466-A469 PolarHBondContact O-N 3.14Å; Y466-A469 VanDerWaalsContact O-N 3.11Å; E467-A469 VanDerWaalsContact C-N 3.32Å; E467-A469 PolarHBondContact O-N 3.07Å; A469-F473 WeakPolarHBondContact O-CB 3.32Å; A469-F473 PolarHBondContact O-N 3.07Å; A469-G503 WeakPolarHBondContact O-CA 3.31Å
470V93.9Very high90.1Very high0 Ų037.5 Ų37.50%018%0.177CC..Hα-helixtrans-62.2-44.3174.6175.20000111.1Y466 E467 F473 I474 F539Y466-V470 HydrophobicContact CD1-CG2 4.12Å; Y466-V470 HydrophobicContact CE1-CG2 3.69Å; Y466-V470 HydrophobicContact CE2-CG2 4.28Å; Y466-V470 WeakPolarHBondContact O-CG2 3.44Å; Y466-V470 PolarHBondContact O-N 3.45Å; E467-V470 PolarHBondContact O-N 3.28Å; V470-F473 WeakPolarHBondContact O-CB 3.23Å; V470-F473 PolarHBondContact O-N 3.26Å; V470-I474 HydrophobicContact CG1-CD1 3.9Å; V470-I474 WeakPolarHBondContact O-CG1 3.48Å; V470-I474 PolarHBondContact O-N 3.41Å; V470-F539 HydrophobicContact CB-CZ 4.36Å; V470-F539 HydrophobicContact CG2-CE1 4.45Å; V470-F539 HydrophobicContact CG2-CE2 3.74Å; V470-F539 HydrophobicContact CG2-CZ 3.61Å
471M94.9Very high90.7Very high63 Ų6336.2 Ų36.231%0.3117%0.171SC..Hα-helixtrans-66.2-44.4179.2-66.6-52-58.700112.4E467 K468 F473 I474 Q475E467-M471 WeakPolarHBondContact O-CG 3.38Å; E467-M471 PolarHBondContact O-N 2.96Å; K468-M471 PolarHBondContact O-N 3.41Å; M471-F473 PolarHBondContact O-N 3.5Å; M471-I474 PolarHBondContact O-N 3.28Å; M471-I474 VanDerWaalsContact O-N 3.12Å; M471-I474 HydrophobicContact SD-CD1 4.01Å; M471-Q475 WeakPolarHBondContact O-CG 3.28Å; M471-Q475 PolarHBondContact O-N 3.46Å; M471-Q475 PolarHBondContact O-OE1 3.35Å
472N97.2Very high91.7Very high12 Ų1232.4 Ų32.46%0.06416%0.156CC..Hα-helixtrans-59.8-37.7174.3-67.3-19.3000111.4K468 S476 S502 H504K468-N472 WeakPolarHBondContact O-CB 3.27Å; K468-N472 PolarHBondContact O-N 3.25Å; K468-N472 PolarHBondContact O-ND2 3.02Å; N472-S476 WeakPolarHBondContact O-CB 3.43Å; N472-S476 PolarHBondContact O-N 2.9Å; N472-S476 PolarHBondContact O-OG 2.91Å; N472-S502 WeakPolarHBondContact CB-O 3.29Å; N472-S502 PolarHBondContact ND2-O 3.44Å; N472-H504 PolarHBondContact ND2-CE1 3.36Å; N472-H504 VanDerWaalsContact ND2-CE1 3.25Å
473F97.1Very high92.6Very high0 Ų030.4 Ų30.40%014%0.144CC..Hα-helixtrans-63.8-47174.4-179-90.5000111.4F456 A469 V470 M471 Q475 S476 C477 L499 G503 M505 M536 F539 I540F456-F473 HydrophobicContact CE2-CD2 4.4Å; F456-F473 HydrophobicContact CZ-CD2 4.45Å; A469-F473 WeakPolarHBondContact O-CB 3.32Å; A469-F473 PolarHBondContact O-N 3.07Å; V470-F473 WeakPolarHBondContact O-CB 3.23Å; V470-F473 PolarHBondContact O-N 3.26Å; M471-F473 PolarHBondContact O-N 3.5Å; F473-Q475 PolarHBondContact O-N 3.48Å; F473-S476 PolarHBondContact O-OG 2.87Å; F473-C477 HydrophobicContact CD1-CB 4.4Å; F473-C477 HydrophobicContact CE1-CB 4.16Å; F473-C477 HydrophobicContact CZ-CB 4.4Å; F473-C477 WeakPolarHBondContact O-CA 3.13Å; F473-C477 WeakPolarHBondContact O-CB 3.3Å; F473-C477 PolarHBondContact O-N 3.34Å; F473-L499 HydrophobicContact CD2-CD2 3.84Å; F473-L499 HydrophobicContact CE2-CD2 3.69Å; F473-G503 WeakPolarHBondContact CA-O 2.8Å; F473-G503 WeakPolarHBondContact CB-O 3.46Å; F473-G503 PolarHBondContact N-O 3.28Å; F473-M505 HydrophobicContact CD2-CB 4.18Å; F473-M505 HydrophobicContact CE2-CB 4.19Å; F473-M505 HydrophobicContact CE2-CE 4.45Å; F473-M505 HydrophobicContact CE2-CG 4.41Å; F473-M505 HydrophobicContact CZ-CE 4.38Å; F473-M536 HydrophobicContact CE1-CB 4.28Å; F473-M536 HydrophobicContact CZ-CB 4.08Å; F473-M536 HydrophobicContact CZ-CG 3.89Å; F473-M536 HydrophobicContact CZ-SD 4.48Å; F473-F539 HydrophobicContact CB-CE1 3.75Å; F473-F539 AromaticContact CD1-CD1 3.69Å; F473-F539 HydrophobicContact CD1-CD1 3.69Å; F473-F539 AromaticContact CD1-CE1 3.77Å; F473-F539 HydrophobicContact CD1-CE1 3.77Å; F473-F539 HydrophobicContact CD2-CD1 4.32Å; F473-F539 HydrophobicContact CD2-CE1 4.02Å; F473-F539 AromaticContact CE1-CD1 3.92Å; F473-F539 HydrophobicContact CE1-CD1 3.92Å; F473-F539 HydrophobicContact CE1-CE1 4.41Å; F473-F539 AromaticContact CG-CD1 3.92Å; F473-F539 HydrophobicContact CG-CD1 3.92Å; F473-F539 AromaticContact CG-CE1 3.56Å; F473-F539 HydrophobicContact CG-CE1 3.56Å; F473-F539 HydrophobicContact CZ-CD1 4.34Å; F473-I540 HydrophobicContact CD1-CD1 4.38Å; F473-I540 HydrophobicContact CD1-CG1 4.01Å; F473-I540 HydrophobicContact CE1-CD1 4.05Å; F473-I540 HydrophobicContact CE1-CG1 3.95Å
474I96Very high93.4Very high0 Ų024 Ų240%012%0.116CC..Hα-helixtrans-57.2-49.4178.4-72.8164.4000110.8V470 M471 A478 I540 R549 F553 L556V470-I474 HydrophobicContact CG1-CD1 3.9Å; V470-I474 WeakPolarHBondContact O-CG1 3.48Å; V470-I474 PolarHBondContact O-N 3.41Å; M471-I474 PolarHBondContact O-N 3.28Å; M471-I474 VanDerWaalsContact O-N 3.12Å; M471-I474 HydrophobicContact SD-CD1 4.01Å; I474-A478 WeakPolarHBondContact O-CB 3.45Å; I474-A478 PolarHBondContact O-N 3.02Å; I474-I540 HydrophobicContact CD1-CG2 4.12Å; I474-I540 HydrophobicContact CG1-CB 4.49Å; I474-I540 HydrophobicContact CG1-CD1 4.32Å; I474-I540 HydrophobicContact CG1-CG1 3.87Å; I474-I540 HydrophobicContact CG1-CG2 4.09Å; I474-R549 HydrophobicContact CD1-CB 4.04Å; I474-R549 HydrophobicContact CD1-CG 4.37Å; I474-F553 HydrophobicContact CG2-CB 4.01Å; I474-F553 HydrophobicContact CG2-CD2 4.34Å; I474-L556 HydrophobicContact CG2-CD1 3.75Å
475Q97.9Very high94.1Very high42 Ų4216.8 Ų16.820%0.1968%0.083CC..Hα-helixtrans-62.9-55.1-178.8-72.7169.2-42.700111.7D407 L408 Q409 M471 F473 C477 A478 G479 L556D407-Q475 PolarHBondContact O-NE2 3.45Å; L408-Q475 CarbonylContact O-C 3.57Å; Q409-Q475 HydrophobicContact CB-CB 4.23Å; Q409-Q475 HydrophobicContact CG-CB 3.97Å; Q409-Q475 HydrophobicContact CG-CG 4.5Å; M471-Q475 WeakPolarHBondContact O-CG 3.28Å; M471-Q475 PolarHBondContact O-N 3.46Å; M471-Q475 PolarHBondContact O-OE1 3.35Å; F473-Q475 PolarHBondContact O-N 3.48Å; Q475-C477 PolarHBondContact O-N 3.31Å; Q475-A478 WeakPolarHBondContact O-CB 3.4Å; Q475-A478 PolarHBondContact O-N 3Å; Q475-A478 VanDerWaalsContact O-N 3.13Å; Q475-G479 PolarHBondContact O-N 3.22Å; Q475-G479 VanDerWaalsContact O-N 3.09Å; Q475-L556 HydrophobicContact CG-CD1 4.25Å
476S98.1Very high94.6Very high0 Ų015.8 Ų15.80%07%0.073CC..Hα-helixtrans-68.6-34.8-177.158.70000112.8L408 N472 F473 A478 W480 M505L408-S476 WeakPolarHBondContact O-CA 3.23Å; L408-S476 PolarHBondContact O-N 3.38Å; N472-S476 WeakPolarHBondContact O-CB 3.43Å; N472-S476 PolarHBondContact O-N 2.9Å; N472-S476 PolarHBondContact O-OG 2.91Å; F473-S476 PolarHBondContact O-OG 2.87Å; S476-A478 VanDerWaalsContact C-N 3.33Å; S476-W480 VanDerWaalsContact O-CD1 3.3Å; S476-W480 PolarHBondContact O-N 3.24Å; S476-M505 WeakPolarHBondContact CB-O 3.11Å; S476-M505 PolarHBondContact OG-N 3.03Å
477C96.3Very high94.9Very high0 Ų015 Ų150%07%0.069CC..Hα-helixtrans-62.4-41.2171.9-175.60000111.2F473 Q475 C481 M505 F553F473-C477 HydrophobicContact CD1-CB 4.4Å; F473-C477 HydrophobicContact CE1-CB 4.16Å; F473-C477 HydrophobicContact CZ-CB 4.4Å; F473-C477 WeakPolarHBondContact O-CA 3.13Å; F473-C477 WeakPolarHBondContact O-CB 3.3Å; F473-C477 PolarHBondContact O-N 3.34Å; Q475-C477 PolarHBondContact O-N 3.31Å; C477-C481 WeakPolarHBondContact O-CB 3.42Å; C477-C481 PolarHBondContact O-N 3.19Å; C477-C481 PolarHBondContact O-SG 3.37Å; C477-M505 HydrophobicContact CB-CE 3.59Å; C477-M505 WeakPolarHBondContact SG-CE 3.47Å; C477-F553 HydrophobicContact CB-CE2 3.98Å
478A96.9Very high95Very high0 Ų013.7 Ų13.70%07%0.066CC..Hα-helixtrans-63.5-49.3178.900000111.3I474 Q475 S476 W480 C481 V482 F553 L556I474-A478 WeakPolarHBondContact O-CB 3.45Å; I474-A478 PolarHBondContact O-N 3.02Å; Q475-A478 WeakPolarHBondContact O-CB 3.4Å; Q475-A478 PolarHBondContact O-N 3Å; Q475-A478 VanDerWaalsContact O-N 3.13Å; S476-A478 VanDerWaalsContact C-N 3.33Å; A478-W480 PolarHBondContact O-N 3.48Å; A478-C481 PolarHBondContact O-N 3.18Å; A478-V482 WeakPolarHBondContact O-CG2 3.23Å; A478-V482 PolarHBondContact O-N 3.45Å; A478-V482 VanDerWaalsContact O-N 3.1Å; A478-F553 HydrophobicContact CB-CD2 4.15Å; A478-F553 HydrophobicContact CB-CE2 4.06Å; A478-L556 HydrophobicContact CB-CB 3.93Å
479G97.6Very high94.7Very high0 Ų07.4 Ų7.40%04%0.04CC..Hα-helixtrans-59.1-44.6177.400000113.1L408 Q475 V482 A483L408-G479 VanDerWaalsContact CD1-CA 3.5Å; Q475-G479 PolarHBondContact O-N 3.22Å; Q475-G479 VanDerWaalsContact O-N 3.09Å; G479-V482 PolarHBondContact O-N 3.48Å; G479-A483 WeakPolarHBondContact O-CB 3.41Å; G479-A483 PolarHBondContact O-N 3.19Å
480W96.3Very high93.7Very high0 Ų08.1 Ų8.10%04%0.044CC..Hα-helixtrans-70.4-31176.8-81.5104.9000114V394 M410 S476 A478 V482 A483 T484 M505 F506 H507 F510V394-W480 HydrophobicContact CG1-CH2 4.07Å; V394-W480 HydrophobicContact CG1-CZ2 4.2Å; V394-W480 HydrophobicContact CG2-CH2 4.11Å; V394-W480 HydrophobicContact CG2-CZ3 4.01Å; M410-W480 HydrophobicContact CE-CD2 3.89Å; M410-W480 HydrophobicContact CE-CG 3.94Å; M410-W480 HydrophobicContact CE-CZ2 4.27Å; S476-W480 VanDerWaalsContact O-CD1 3.3Å; S476-W480 PolarHBondContact O-N 3.24Å; A478-W480 PolarHBondContact O-N 3.48Å; W480-V482 VanDerWaalsContact C-N 3.34Å; W480-A483 HydrophobicContact CE3-CB 4.47Å; W480-T484 HydrophobicContact CE3-CG2 4.11Å; W480-T484 VanDerWaalsContact O-CB 3.32Å; W480-T484 WeakPolarHBondContact O-CB 3.38Å; W480-T484 VanDerWaalsContact O-CG2 3.24Å; W480-T484 WeakPolarHBondContact O-CG2 3.5Å; W480-T484 PolarHBondContact O-N 2.87Å; W480-T484 PolarHBondContact O-OG1 2.82Å; W480-M505 HydrophobicContact CB-SD 4.28Å; W480-M505 PolarHBondContact NE1-O 2.98Å; W480-F506 HydrophobicContact CZ2-CB 4.04Å; W480-F506 VanDerWaalsContact NE1-CA 3.32Å; W480-H507 HydrophobicContact CD2-CB 4.14Å; W480-H507 AromaticContact CD2-CD2 3.68Å; W480-H507 HydrophobicContact CE3-CB 3.71Å; W480-H507 AromaticContact CE3-CD2 3.79Å; W480-H507 AromaticContact CE3-CG 3.83Å; W480-H507 AromaticContact CG-CD2 3.63Å; W480-H507 HydrophobicContact CH2-CB 4.19Å; W480-H507 HydrophobicContact CZ3-CB 3.75Å; W480-F510 HydrophobicContact CH2-CE1 4.13Å; W480-F510 AromaticContact CH2-CZ 3.67Å; W480-F510 HydrophobicContact CH2-CZ 3.67Å; W480-F510 AromaticContact CZ3-CE1 3.86Å; W480-F510 HydrophobicContact CZ3-CE1 3.86Å; W480-F510 AromaticContact CZ3-CZ 3.9Å; W480-F510 HydrophobicContact CZ3-CZ 3.9Å
481C94.6Very high92.5Very high2 Ų210.2 Ų10.21%0.0146%0.055CC..Hα-helixtrans-61.4-44.5171.2-720000111C477 A478 T484 F485 F530C477-C481 WeakPolarHBondContact O-CB 3.42Å; C477-C481 PolarHBondContact O-N 3.19Å; C477-C481 PolarHBondContact O-SG 3.37Å; A478-C481 PolarHBondContact O-N 3.18Å; C481-T484 PolarHBondContact O-OG1 2.95Å; C481-F485 WeakPolarHBondContact O-CB 3.47Å; C481-F485 PolarHBondContact O-N 2.89Å; C481-F485 VanDerWaalsContact O-N 3.16Å; C481-F530 HydrophobicContact CB-CD2 3.76Å; C481-F530 HydrophobicContact CB-CE2 3.81Å; C481-F530 HydrophobicContact CB-CG 4.25Å; C481-F530 HydrophobicContact CB-CZ 4.33Å; C481-F530 VanDerWaalsContact SG-CD2 3.58Å
482V97Very high91.8Very high0 Ų08.1 Ų8.10%04%0.044CC..Hα-helixtrans-67.4-49.5178.5175.10000111.2W401 A478 G479 W480 T484 F485 I486 C557 A560 Y561 F612W401-V482 HydrophobicContact CZ2-CB 4.26Å; W401-V482 HydrophobicContact CZ2-CG1 3.93Å; A478-V482 WeakPolarHBondContact O-CG2 3.23Å; A478-V482 PolarHBondContact O-N 3.45Å; A478-V482 VanDerWaalsContact O-N 3.1Å; G479-V482 PolarHBondContact O-N 3.48Å; W480-V482 VanDerWaalsContact C-N 3.34Å; V482-T484 PolarHBondContact O-N 3.15Å; V482-F485 PolarHBondContact O-N 2.84Å; V482-I486 HydrophobicContact CG1-CD1 3.61Å; V482-I486 HydrophobicContact CG1-CG1 4.42Å; V482-I486 WeakPolarHBondContact O-CG1 3.46Å; V482-I486 PolarHBondContact O-N 3.34Å; V482-C557 WeakPolarHBondContact CG2-O 3.42Å; V482-A560 HydrophobicContact CG2-CB 4.04Å; V482-Y561 HydrophobicContact CG1-CD2 4.49Å; V482-F612 HydrophobicContact CB-CZ 4.42Å; V482-F612 HydrophobicContact CG2-CE1 3.99Å; V482-F612 HydrophobicContact CG2-CE2 4.45Å; V482-F612 HydrophobicContact CG2-CZ 3.73Å
483A96.3Very high90.9Very high0 Ų08.7 Ų8.70%05%0.046CC..Hα-helixtrans-61.5-46.8-178.500000112.6V394 M397 G479 W480 F485 I486 L487V394-A483 HydrophobicContact CG2-CB 4.13Å; M397-A483 HydrophobicContact SD-CB 3.78Å; G479-A483 WeakPolarHBondContact O-CB 3.41Å; G479-A483 PolarHBondContact O-N 3.19Å; W480-A483 HydrophobicContact CE3-CB 4.47Å; A483-F485 VanDerWaalsContact C-N 3.32Å; A483-F485 PolarHBondContact O-N 3.07Å; A483-I486 PolarHBondContact O-N 3.44Å; A483-L487 WeakPolarHBondContact O-CB 3.49Å; A483-L487 WeakPolarHBondContact O-CG 3.41Å; A483-L487 PolarHBondContact O-N 3Å; A483-L487 VanDerWaalsContact O-N 3.11Å
484T93.2Very high90.1Very high3 Ų39 Ų92%0.0185%0.048CC..Hα-helixtrans-67-34.2179.855.80000112.4W480 C481 V482 G488 I489W480-T484 HydrophobicContact CE3-CG2 4.11Å; W480-T484 VanDerWaalsContact O-CB 3.32Å; W480-T484 WeakPolarHBondContact O-CB 3.38Å; W480-T484 VanDerWaalsContact O-CG2 3.24Å; W480-T484 WeakPolarHBondContact O-CG2 3.5Å; W480-T484 PolarHBondContact O-N 2.87Å; W480-T484 PolarHBondContact O-OG1 2.82Å; C481-T484 PolarHBondContact O-OG1 2.95Å; V482-T484 PolarHBondContact O-N 3.15Å; T484-G488 WeakPolarHBondContact O-CA 3.21Å; T484-G488 PolarHBondContact O-N 3.34Å; T484-I489 HydrophobicContact CG2-CB 4.24Å; T484-I489 HydrophobicContact CG2-CD1 4.03Å; T484-I489 PolarHBondContact O-N 2.99Å
485F93.5Very high89.5Confident10 Ų1010.2 Ų10.24%0.0445%0.054CC..Hα-helixtrans-65.1-53.9174.7176.2-102.7000111.9C481 V482 A483 L487 G488 P529 F530 Y561 N598 Y611 F612 K615C481-F485 WeakPolarHBondContact O-CB 3.47Å; C481-F485 PolarHBondContact O-N 2.89Å; C481-F485 VanDerWaalsContact O-N 3.16Å; V482-F485 PolarHBondContact O-N 2.84Å; A483-F485 VanDerWaalsContact C-N 3.32Å; A483-F485 PolarHBondContact O-N 3.07Å; F485-L487 VanDerWaalsContact C-N 3.34Å; F485-L487 PolarHBondContact O-N 3.09Å; F485-G488 PolarHBondContact O-N 3.3Å; F485-P529 HydrophobicContact CD2-CB 3.87Å; F485-P529 HydrophobicContact CE2-CB 4.1Å; F485-F530 HydrophobicContact CB-CD1 3.91Å; F485-F530 HydrophobicContact CD2-CD1 4.12Å; F485-F530 HydrophobicContact CG-CD1 4.33Å; F485-Y561 HydrophobicContact CD1-CE2 4.18Å; F485-Y561 AromaticContact CE1-CE2 3.94Å; F485-Y561 HydrophobicContact CE1-CE2 3.94Å; F485-N598 HydrophobicContact CE1-CB 4.07Å; F485-N598 WeakPolarHBondContact CE1-O 3.22Å; F485-N598 HydrophobicContact CZ-CB 4.37Å; F485-N598 PolarHBondContact O-ND2 2.9Å; F485-Y611 HydrophobicContact CE1-CE1 4.04Å; F485-Y611 AromaticContact CZ-CE1 3.65Å; F485-Y611 HydrophobicContact CZ-CE1 3.65Å; F485-F612 HydrophobicContact CB-CE2 4.08Å; F485-F612 HydrophobicContact CB-CZ 4.42Å; F485-F612 HydrophobicContact CD1-CD2 4.08Å; F485-F612 AromaticContact CD1-CE2 3.49Å; F485-F612 HydrophobicContact CD1-CE2 3.49Å; F485-F612 VanDerWaalsContact CD1-CE2 3.49Å; F485-F612 HydrophobicContact CE1-CD2 4.21Å; F485-F612 HydrophobicContact CE1-CE2 4.08Å; F485-F612 AromaticContact CG-CE2 3.79Å; F485-F612 HydrophobicContact CG-CE2 3.79Å; F485-K615 HydrophobicContact CE2-CD 3.97Å; F485-K615 HydrophobicContact CE2-CG 4.06Å; F485-K615 HydrophobicContact CZ-CD 4.45Å; F485-K615 HydrophobicContact CZ-CG 4.26Å
486I93.9Very high89.1Confident0 Ų08.6 Ų8.60%05%0.047CC..Hα-helixtrans-58.6-48.4-176.8-70.7170.1000110.3M397 V482 A483 G488 Y561 I564 V595 N598 L599M397-I486 HydrophobicContact CE-CB 4.15Å; M397-I486 HydrophobicContact CE-CD1 4.22Å; M397-I486 HydrophobicContact CE-CG2 3.84Å; V482-I486 HydrophobicContact CG1-CD1 3.61Å; V482-I486 HydrophobicContact CG1-CG1 4.42Å; V482-I486 WeakPolarHBondContact O-CG1 3.46Å; V482-I486 PolarHBondContact O-N 3.34Å; A483-I486 PolarHBondContact O-N 3.44Å; I486-G488 VanDerWaalsContact C-N 3.29Å; I486-G488 PolarHBondContact O-N 3.48Å; I486-Y561 HydrophobicContact CD1-CD2 4.27Å; I486-Y561 HydrophobicContact CG1-CD2 4.33Å; I486-Y561 HydrophobicContact CG1-CE2 4.38Å; I486-I564 HydrophobicContact CD1-CB 3.97Å; I486-I564 HydrophobicContact CD1-CG2 3.68Å; I486-V595 HydrophobicContact CG2-CG1 4.06Å; I486-N598 PolarHBondContact O-ND2 2.85Å; I486-L599 HydrophobicContact CD1-CD2 3.8Å; I486-L599 HydrophobicContact CG1-CD2 4.02Å; I486-L599 HydrophobicContact CG2-CD1 4.45Å; I486-L599 HydrophobicContact CG2-CD2 3.83Å; I486-L599 HydrophobicContact CG2-CG 4.03Å
487L91.5Very high88.8Confident0 Ų08.6 Ų8.60%05%0.047CC..Hα-helixtrans-80.5-6.9-177.2-62174000113.8I390 I393 V394 M397 A483 F485 I489 M514I390-L487 HydrophobicContact CD1-CB 4.45Å; I390-L487 HydrophobicContact CD1-CD1 3.96Å; I390-L487 HydrophobicContact CG2-CD1 4.28Å; I393-L487 HydrophobicContact CB-CD1 4.42Å; I393-L487 HydrophobicContact CD1-CD2 4.09Å; I393-L487 HydrophobicContact CG2-CD1 4.1Å; I393-L487 HydrophobicContact CG2-CD2 4.04Å; V394-L487 HydrophobicContact CG2-CD1 4.47Å; M397-L487 HydrophobicContact CE-CD1 4.35Å; M397-L487 HydrophobicContact CE-CD2 4.44Å; M397-L487 HydrophobicContact CE-CG 4.17Å; A483-L487 WeakPolarHBondContact O-CB 3.49Å; A483-L487 WeakPolarHBondContact O-CG 3.41Å; A483-L487 PolarHBondContact O-N 3Å; A483-L487 VanDerWaalsContact O-N 3.11Å; F485-L487 VanDerWaalsContact C-N 3.34Å; F485-L487 PolarHBondContact O-N 3.09Å; L487-I489 VanDerWaalsContact C-N 3.32Å; L487-I489 HydrophobicContact CB-CD1 4.23Å; L487-I489 HydrophobicContact CB-CG1 3.84Å; L487-I489 HydrophobicContact CD1-CD1 4.28Å; L487-I489 PolarHBondContact O-N 3.28Å; L487-M514 PolarHBondContact O-N 3.42Å
488G88.5Confident88.7Confident11 Ų1110 Ų1011%0.1135%0.054CC..THydrogen-bonded Turntrans57.343-177.300000113.1T484 F485 I486 C490 I513 M514 G515T484-G488 WeakPolarHBondContact O-CA 3.21Å; T484-G488 PolarHBondContact O-N 3.34Å; F485-G488 PolarHBondContact O-N 3.3Å; I486-G488 VanDerWaalsContact C-N 3.29Å; I486-G488 PolarHBondContact O-N 3.48Å; G488-C490 PolarHBondContact O-N 3.03Å; G488-C490 PolarHBondContact O-SG 3.35Å; G488-I513 CarbonylContact O-C 3.5Å; G488-M514 PolarHBondContact O-N 3.49Å; G488-G515 PolarHBondContact O-N 3.42Å
489I85.5Confident88.7Confident12 Ų1210.1 Ų10.16%0.0626%0.055CC..  trans-69.9114.8-179.8-55.3177.8000108.5I390 T484 L487 R492 F510 I513I390-I489 HydrophobicContact CG2-CD1 3.65Å; T484-I489 HydrophobicContact CG2-CB 4.24Å; T484-I489 HydrophobicContact CG2-CD1 4.03Å; T484-I489 PolarHBondContact O-N 2.99Å; L487-I489 VanDerWaalsContact C-N 3.32Å; L487-I489 HydrophobicContact CB-CD1 4.23Å; L487-I489 HydrophobicContact CB-CG1 3.84Å; L487-I489 HydrophobicContact CD1-CD1 4.28Å; L487-I489 PolarHBondContact O-N 3.28Å; I489-R492 HydrophobicContact CG2-CG 4.48Å; I489-F510 HydrophobicContact CD1-CD1 3.95Å; I489-F510 HydrophobicContact CD1-CE1 4.13Å; I489-F510 HydrophobicContact CG2-CD1 4Å; I489-I513 HydrophobicContact CG1-CG2 4.4Å
490C71.4Confident88.5Confident15 Ų1512.6 Ų12.610%0.1017%0.065CC..  trans-96.6178.8-173.6-65.90000111.6G488 R492 K512 A517 D526G488-C490 PolarHBondContact O-N 3.03Å; G488-C490 PolarHBondContact O-SG 3.35Å; C490-R492 VanDerWaalsContact C-N 3.26Å; C490-R492 PolarHBondContact O-N 3.09Å; C490-R492 PolarHBondContact O-NE 3.39Å; C490-R492 PolarHBondContact O-NH2 3.05Å; C490-R492 VanDerWaalsContact O-NH2 3.1Å; C490-K512 HydrophobicContact CB-CB 4.04Å; C490-K512 PolarHBondContact N-O 3.21Å; C490-A517 HydrophobicContact CB-CB 4.19Å; C490-D526 WeakPolarHBondContact CB-OD2 3.33Å
491D69.9Low88.2Confident44 Ų4415.1 Ų15.124%0.2358%0.077CC..  trans55.938.8175.6-148.60.1000113.3H493 N496 K512 D526D491-H493 PolarHBondContact O-N 3.2Å; D491-H493 IonicContact OD1-CD2 2.8Å; D491-N496 PolarHBondContact O-ND2 2.9Å; D491-K512 HydrophobicContact CB-CD 4.17Å; D491-K512 IonicContact OD2-NZ 2.92Å; D491-K512 PolarHBondContact OD2-NZ 2.98Å; D491-D526 PolarHBondContact N-OD2 3.04Å
492R79.8Confident88.1Confident19 Ų1917.1 Ų17.17%0.0729%0.091CC..  trans-84.397.7-179.8-63.1-58.185.7-175.8-0.4109.5I489 C490 N496 H507 I508 D509 V531I489-R492 HydrophobicContact CG2-CG 4.48Å; C490-R492 VanDerWaalsContact C-N 3.26Å; C490-R492 PolarHBondContact O-N 3.09Å; C490-R492 PolarHBondContact O-NE 3.39Å; C490-R492 PolarHBondContact O-NH2 3.05Å; C490-R492 VanDerWaalsContact O-NH2 3.1Å; R492-N496 PolarHBondContact NH2-ND2 3.01Å; R492-H507 WeakPolarHBondContact CD-ND1 3.39Å; R492-I508 PolarHBondContact NH1-O 3.48Å; R492-D509 VanDerWaalsContact CZ-O 3.29Å; R492-D509 PolarHBondContact NH1-O 3.15Å; R492-D509 PolarHBondContact NH2-O 3.22Å; R492-V531 HydrophobicContact CB-CB 4.45Å; R492-V531 HydrophobicContact CB-CG2 3.3Å; R492-V531 HydrophobicContact CG-CG2 4.31Å; R492-V531 WeakPolarHBondContact O-CG2 3.05Å
493H77.1Confident87.9Confident24 Ų2417.1 Ų17.111%0.1119%0.091CC..  trans-112.9169.4173.856.762.6000112.8D491 D495 N496 F629 H632D491-H493 PolarHBondContact O-N 3.2Å; D491-H493 IonicContact OD1-CD2 2.8Å; H493-D495 PolarHBondContact ND1-N 2.65Å; H493-D495 PolarHBondContact O-N 3.42Å; H493-N496 PolarHBondContact CE1-ND2 2.84Å; H493-N496 VanDerWaalsContact CE1-ND2 3.26Å; H493-N496 PolarHBondContact CE1-OD1 2.93Å; H493-N496 PolarHBondContact NE2-ND2 2.81Å; H493-N496 WeakPolarHBondContact O-CA 3.43Å; H493-N496 PolarHBondContact O-N 3.29Å; H493-F629 HydrophobicContact CB-CD1 4.32Å; H493-F629 HydrophobicContact CB-CE1 4.31Å; H493-H632 AromaticContact CD2-CE1 3.89Å
494N80.9Confident87.9Confident6 Ų618.5 Ų18.53%0.03210%0.098CC..G310 helixtrans-58-24.4-175.4-67.7-10.5000113.8L434 G435 H438 N496 F629L434-N494 HydrophobicContact CB-CB 4.15Å; L434-N494 WeakPolarHBondContact CB-O 3.42Å; L434-N494 HydrophobicContact CD2-CB 4.33Å; L434-N494 HydrophobicContact CG-CB 4.11Å; L434-N494 PolarHBondContact N-O 2.92Å; G435-N494 PolarHBondContact N-O 3.17Å; H438-N494 PolarHBondContact CE1-ND2 2.9Å; H438-N494 PolarHBondContact ND1-ND2 3.31Å; N494-N496 VanDerWaalsContact C-N 3.35Å; N494-F629 WeakPolarHBondContact ND2-CD2 3.41Å; N494-F629 WeakPolarHBondContact ND2-CG 3.26Å; N494-F629 VanDerWaalsContact OD1-CD2 3.28Å; N494-F629 WeakPolarHBondContact OD1-CD2 2.97Å; N494-F629 WeakPolarHBondContact OD1-CE1 3.43Å; N494-F629 WeakPolarHBondContact OD1-CE2 3.47Å; N494-F629 WeakPolarHBondContact OD1-CG 3.21Å; N494-F629 WeakPolarHBondContact OD1-CZ 3.46Å
495D83.5Confident88Confident26 Ų2618.4 Ų18.414%0.13910%0.097CC..G310 helixtrans-78.8-15.4173.7-62.7-49.6000114.6T433 G435 H493 Q636T433-D495 WeakPolarHBondContact CG2-O 3.36Å; G435-D495 WeakPolarHBondContact CA-OD1 3.43Å; H493-D495 PolarHBondContact ND1-N 2.65Å; H493-D495 PolarHBondContact O-N 3.42Å; D495-Q636 PolarHBondContact OD2-NE2 3.44Å
496N89.3Confident88.2Confident9 Ų918 Ų185%0.04810%0.095CC..G310 helixtrans-96.93.8178-66.8-6.6000112.5D491 R492 H493 N494 H507 I508D491-N496 PolarHBondContact O-ND2 2.9Å; R492-N496 PolarHBondContact NH2-ND2 3.01Å; H493-N496 PolarHBondContact CE1-ND2 2.84Å; H493-N496 VanDerWaalsContact CE1-ND2 3.26Å; H493-N496 PolarHBondContact CE1-OD1 2.93Å; H493-N496 PolarHBondContact NE2-ND2 2.81Å; H493-N496 WeakPolarHBondContact O-CA 3.43Å; H493-N496 PolarHBondContact O-N 3.29Å; N494-N496 VanDerWaalsContact C-N 3.35Å; N496-H507 WeakPolarHBondContact O-CA 3.49Å; N496-I508 PolarHBondContact O-N 2.95Å
497I92.1Very high88.2Confident0 Ų018.1 Ų18.10%010%0.095CC..EExtended strand (participates in β ladder)trans-117.7125.4176-59.4175000107.4T433 L434 M505 V531 M536T433-I497 CarbonylContact C-O 3.49Å; T433-I497 WeakPolarHBondContact CA-O 3.49Å; L434-I497 HydrophobicContact CB-CB 4.37Å; L434-I497 PolarHBondContact N-O 3.03Å; I497-M505 HydrophobicContact CG2-CG 3.79Å; I497-M505 HydrophobicContact CG2-SD 4.1Å; I497-V531 HydrophobicContact CD1-CB 4.01Å; I497-V531 HydrophobicContact CD1-CG1 3.58Å; I497-V531 HydrophobicContact CD1-CG2 4.47Å; I497-M536 HydrophobicContact CD1-CE 4.29Å
498M95Very high88.2Confident30 Ų3019.9 Ų19.915%0.14811%0.105CC..EExtended strand (participates in β ladder)trans-114.5147.9178.2-65.2-163.880.600111.2A431 V432 T433 M505 F506 I508A431-M498 HydrophobicContact CB-CB 4.47Å; A431-M498 HydrophobicContact CB-CE 3.59Å; A431-M498 HydrophobicContact CB-SD 4.39Å; A431-M498 WeakPolarHBondContact O-CE 3.39Å; V432-M498 CarbonylContact O-C 3.55Å; V432-M498 WeakPolarHBondContact O-CA 3.17Å; T433-M498 HydrophobicContact CG2-CE 4.31Å; T433-M498 HydrophobicContact CG2-CG 4.07Å; M498-M505 WeakPolarHBondContact O-CA 3.43Å; M498-F506 HydrophobicContact CB-CD1 4.15Å; M498-F506 HydrophobicContact CB-CD2 4.27Å; M498-F506 HydrophobicContact CB-CE1 3.61Å; M498-F506 HydrophobicContact CB-CE2 3.76Å; M498-F506 HydrophobicContact CB-CG 4.45Å; M498-F506 HydrophobicContact CB-CZ 3.4Å; M498-F506 VanDerWaalsContact CB-CZ 3.4Å; M498-F506 HydrophobicContact CG-CE2 4.18Å; M498-F506 HydrophobicContact CG-CZ 4.1Å; M498-F506 PolarHBondContact N-O 2.99Å; M498-F506 PolarHBondContact O-N 3.48Å; M498-F506 HydrophobicContact SD-CE2 3.87Å; M498-F506 HydrophobicContact SD-CZ 3.76Å; M498-I508 HydrophobicContact CG-CD1 3.92Å; M498-I508 HydrophobicContact CG-CG1 4.22Å; M498-I508 HydrophobicContact CG-CG2 4.08Å; M498-I508 HydrophobicContact SD-CD1 3.8Å; M498-I508 HydrophobicContact SD-CG1 4.48Å; M498-I508 HydrophobicContact SD-CG2 3.84Å
499L95.3Very high88.2Confident2 Ų222.6 Ų22.61%0.0112%0.116CC..EExtended strand (participates in β ladder)trans-126.9136.3177.6-65172.3000110.2A431 V432 L434 I437 L452 W455 F456 F473 H504 M505A431-L499 WeakPolarHBondContact CA-O 3.04Å; V432-L499 PolarHBondContact N-O 2.83Å; V432-L499 PolarHBondContact O-N 2.97Å; L434-L499 HydrophobicContact CD1-CD1 4.14Å; I437-L499 HydrophobicContact CD1-CB 4.19Å; I437-L499 HydrophobicContact CD1-CD1 3.77Å; I437-L499 HydrophobicContact CD1-CG 4.46Å; L452-L499 HydrophobicContact CD2-CD1 3.39Å; W455-L499 HydrophobicContact CH2-CB 4.03Å; W455-L499 HydrophobicContact CZ3-CB 3.96Å; W455-L499 HydrophobicContact CZ3-CD1 4.48Å; F456-L499 HydrophobicContact CE2-CD1 4.43Å; F473-L499 HydrophobicContact CD2-CD2 3.84Å; F473-L499 HydrophobicContact CE2-CD2 3.69Å; L499-H504 WeakPolarHBondContact CA-O 3.08Å; L499-M505 HydrophobicContact CD2-CB 3.56Å; L499-M505 HydrophobicContact CD2-CG 3.63Å
500K94.4Very high88.2Confident52 Ų5222 Ų2223%0.22611%0.113CC..EExtended strand (participates in β ladder)trans-92.1154.8167.7-67.5-172.572.5178.40110.8I411 V428 P429 A431 S502 G503 H504 F506I411-K500 HydrophobicContact CD1-CD 3.37Å; I411-K500 HydrophobicContact CD1-CG 4.23Å; V428-K500 HydrophobicContact CG1-CD 4.1Å; P429-K500 WeakPolarHBondContact O-CE 3.23Å; A431-K500 HydrophobicContact CB-CG 4.11Å; K500-S502 WeakPolarHBondContact CB-OG 3.4Å; K500-S502 PolarHBondContact O-N 3.48Å; K500-S502 VanDerWaalsContact O-N 3.12Å; K500-G503 PolarHBondContact O-N 3.33Å; K500-H504 HydrophobicContact CB-CB 4.43Å; K500-H504 PolarHBondContact N-O 3.03Å; K500-F506 HydrophobicContact CG-CE1 4.26Å
501H89.9Confident88.2Confident53 Ų5322.8 Ų22.825%0.24512%0.124CC..THydrogen-bonded Turntrans-56.6-28.3172.7-57.9163.9000113W455 L459 N460 G503W455-H501 AromaticContact CH2-CD2 3.86Å; W455-H501 AromaticContact CZ2-CD2 3.75Å; L459-H501 HydrophobicContact CD1-CB 4.27Å; L459-H501 WeakPolarHBondContact CD1-CD2 3.49Å; N460-H501 PolarHBondContact ND2-O 3.2Å; H501-G503 PolarHBondContact O-N 3.06Å
502S91.3Very high88.4Confident44 Ų4422.6 Ų22.631%0.30812%0.121SC..THydrogen-bonded Turntrans-74.23.6175.8590000114.5N472 K500 H504N472-S502 WeakPolarHBondContact CB-O 3.29Å; N472-S502 PolarHBondContact ND2-O 3.44Å; K500-S502 WeakPolarHBondContact CB-OG 3.4Å; K500-S502 PolarHBondContact O-N 3.48Å; K500-S502 VanDerWaalsContact O-N 3.12Å; S502-H504 PolarHBondContact O-ND1 3.42Å; S502-H504 PolarHBondContact OG-ND1 3.01Å
503G93.8Very high88.2Confident0 Ų021.8 Ų21.80%012%0.118CC..SBendtrans96.2-16.7178.900000115.7F456 A469 F473 K500 H501 M505F456-G503 VanDerWaalsContact CE1-CA 3.49Å; A469-G503 WeakPolarHBondContact O-CA 3.31Å; F473-G503 WeakPolarHBondContact CA-O 2.8Å; F473-G503 WeakPolarHBondContact CB-O 3.46Å; F473-G503 PolarHBondContact N-O 3.28Å; K500-G503 PolarHBondContact O-N 3.33Å; H501-G503 PolarHBondContact O-N 3.06Å; G503-M505 PolarHBondContact O-N 2.92Å
504H96.6Very high88.1Confident29 Ų2921 Ų2113%0.13412%0.115CC..  trans-71.6133.1-172.3-60.556.7000111.2Q409 I411 N472 L499 K500 S502Q409-H504 PolarHBondContact O-CD2 3.34Å; I411-H504 HydrophobicContact CD1-CB 3.32Å; I411-H504 HydrophobicContact CG1-CB 4.02Å; N472-H504 PolarHBondContact ND2-CE1 3.36Å; N472-H504 VanDerWaalsContact ND2-CE1 3.25Å; L499-H504 WeakPolarHBondContact CA-O 3.08Å; K500-H504 HydrophobicContact CB-CB 4.43Å; K500-H504 PolarHBondContact N-O 3.03Å; S502-H504 PolarHBondContact O-ND1 3.42Å; S502-H504 PolarHBondContact OG-ND1 3.01Å
505M95.4Very high86.9Confident1 Ų122.5 Ų22.51%0.00513%0.132CC..EExtended strand (participates in β ladder)trans-107.1138.6175.2-173.1-114.2-92.900110.5F473 S476 C477 W480 I497 M498 L499 G503 M536F473-M505 HydrophobicContact CD2-CB 4.18Å; F473-M505 HydrophobicContact CE2-CB 4.19Å; F473-M505 HydrophobicContact CE2-CE 4.45Å; F473-M505 HydrophobicContact CE2-CG 4.41Å; F473-M505 HydrophobicContact CZ-CE 4.38Å; S476-M505 WeakPolarHBondContact CB-O 3.11Å; S476-M505 PolarHBondContact OG-N 3.03Å; C477-M505 HydrophobicContact CB-CE 3.59Å; C477-M505 WeakPolarHBondContact SG-CE 3.47Å; W480-M505 HydrophobicContact CB-SD 4.28Å; W480-M505 PolarHBondContact NE1-O 2.98Å; I497-M505 HydrophobicContact CG2-CG 3.79Å; I497-M505 HydrophobicContact CG2-SD 4.1Å; M498-M505 WeakPolarHBondContact O-CA 3.43Å; L499-M505 HydrophobicContact CD2-CB 3.56Å; L499-M505 HydrophobicContact CD2-CG 3.63Å; G503-M505 PolarHBondContact O-N 2.92Å; M505-M536 HydrophobicContact CE-CE 4.01Å; M505-M536 HydrophobicContact CE-SD 4.37Å
506F96.6Very high85.7Confident0 Ų025 Ų250%015%0.145CC..EExtended strand (participates in β ladder)trans-150.4157.6172.865.1-79.7000112.6I411 F413 V428 A431 W480 M498 K500 I508I411-F506 HydrophobicContact CB-CB 4.11Å; I411-F506 HydrophobicContact CB-CD1 4.15Å; I411-F506 HydrophobicContact CB-CG 4.2Å; I411-F506 HydrophobicContact CD1-CD1 4.41Å; I411-F506 HydrophobicContact CG2-CD1 4.06Å; I411-F506 HydrophobicContact CG2-CE1 4.43Å; I411-F506 HydrophobicContact CG2-CG 4.12Å; F413-F506 HydrophobicContact CD1-CD2 4.23Å; F413-F506 HydrophobicContact CD1-CE2 4.27Å; F413-F506 HydrophobicContact CE1-CD2 4.35Å; V428-F506 HydrophobicContact CB-CE2 4.39Å; V428-F506 HydrophobicContact CB-CZ 3.78Å; V428-F506 HydrophobicContact CG1-CE1 4.13Å; V428-F506 HydrophobicContact CG1-CZ 3.89Å; V428-F506 HydrophobicContact CG2-CE2 3.92Å; V428-F506 HydrophobicContact CG2-CZ 3.81Å; A431-F506 HydrophobicContact CB-CE1 3.79Å; A431-F506 HydrophobicContact CB-CZ 3.65Å; W480-F506 HydrophobicContact CZ2-CB 4.04Å; W480-F506 VanDerWaalsContact NE1-CA 3.32Å; M498-F506 HydrophobicContact CB-CD1 4.15Å; M498-F506 HydrophobicContact CB-CD2 4.27Å; M498-F506 HydrophobicContact CB-CE1 3.61Å; M498-F506 HydrophobicContact CB-CE2 3.76Å; M498-F506 HydrophobicContact CB-CG 4.45Å; M498-F506 HydrophobicContact CB-CZ 3.4Å; M498-F506 VanDerWaalsContact CB-CZ 3.4Å; M498-F506 HydrophobicContact CG-CE2 4.18Å; M498-F506 HydrophobicContact CG-CZ 4.1Å; M498-F506 PolarHBondContact N-O 2.99Å; M498-F506 PolarHBondContact O-N 3.48Å; M498-F506 HydrophobicContact SD-CE2 3.87Å; M498-F506 HydrophobicContact SD-CZ 3.76Å; K500-F506 HydrophobicContact CG-CE1 4.26Å; F506-I508 HydrophobicContact CD2-CG2 3.89Å; F506-I508 HydrophobicContact CE2-CG2 3.61Å
507H94.1Very high84.1Confident3 Ų325.4 Ų25.41%0.01415%0.15CC..EExtended strand (participates in β ladder)trans-97.9149.9179.5-70.7-125000110.6W480 R492 N496 F510W480-H507 HydrophobicContact CD2-CB 4.14Å; W480-H507 AromaticContact CD2-CD2 3.68Å; W480-H507 HydrophobicContact CE3-CB 3.71Å; W480-H507 AromaticContact CE3-CD2 3.79Å; W480-H507 AromaticContact CE3-CG 3.83Å; W480-H507 AromaticContact CG-CD2 3.63Å; W480-H507 HydrophobicContact CH2-CB 4.19Å; W480-H507 HydrophobicContact CZ3-CB 3.75Å; R492-H507 WeakPolarHBondContact CD-ND1 3.39Å; N496-H507 WeakPolarHBondContact O-CA 3.49Å; H507-F510 HydrophobicContact CB-CE1 3.87Å; H507-F510 HydrophobicContact CB-CZ 4.24Å; H507-F510 VanDerWaalsContact O-CZ 3.29Å; H507-F510 WeakPolarHBondContact O-CZ 3.36Å
508I92.7Very high82.1Confident38 Ų3830.5 Ų30.520%0.19517%0.174CC..  trans-131.5167.9175.161.3165.9000110.1F413 R492 N496 M498 F506F413-I508 HydrophobicContact CE1-CB 4.47Å; F413-I508 HydrophobicContact CE1-CG2 3.74Å; F413-I508 HydrophobicContact CZ-CB 4.39Å; F413-I508 HydrophobicContact CZ-CG2 4.06Å; R492-I508 PolarHBondContact NH1-O 3.48Å; N496-I508 PolarHBondContact O-N 2.95Å; M498-I508 HydrophobicContact CG-CD1 3.92Å; M498-I508 HydrophobicContact CG-CG1 4.22Å; M498-I508 HydrophobicContact CG-CG2 4.08Å; M498-I508 HydrophobicContact SD-CD1 3.8Å; M498-I508 HydrophobicContact SD-CG1 4.48Å; M498-I508 HydrophobicContact SD-CG2 3.84Å; F506-I508 HydrophobicContact CD2-CG2 3.89Å; F506-I508 HydrophobicContact CE2-CG2 3.61Å
509D87.1Confident79.7Confident67 Ų6736.7 Ų36.736%0.35820%0.2SC..  trans59.985.2172.5-165.10.3000112.5R492 G511R492-D509 VanDerWaalsContact CZ-O 3.29Å; R492-D509 PolarHBondContact NH1-O 3.15Å; R492-D509 PolarHBondContact NH2-O 3.22Å; D509-G511 PolarHBondContact O-N 3.41Å
510F86.4Confident77Confident0 Ų043.7 Ų43.70%023%0.231CC..  trans-95.924.6-169.4-58-69.6000114.6Q386 D387 I390 L391 F413 W480 I489 H507 K512 I513Q386-F510 VanDerWaalsContact CD-O 3.24Å; Q386-F510 PolarHBondContact NE2-O 3.08Å; D387-F510 HydrophobicContact CB-CD2 4.24Å; D387-F510 WeakPolarHBondContact OD1-CD2 3.33Å; D387-F510 PolarHBondContact OD1-N 3.12Å; I390-F510 HydrophobicContact CB-CB 4.16Å; I390-F510 HydrophobicContact CB-CD1 4.44Å; I390-F510 HydrophobicContact CB-CD2 4.18Å; I390-F510 HydrophobicContact CB-CG 4.01Å; I390-F510 HydrophobicContact CG1-CB 4.07Å; I390-F510 HydrophobicContact CG1-CG 4.42Å; I390-F510 HydrophobicContact CG2-CB 4.27Å; I390-F510 HydrophobicContact CG2-CD1 3.66Å; I390-F510 HydrophobicContact CG2-CD2 4.03Å; I390-F510 HydrophobicContact CG2-CE1 3.92Å; I390-F510 HydrophobicContact CG2-CE2 4.28Å; I390-F510 HydrophobicContact CG2-CG 3.71Å; I390-F510 HydrophobicContact CG2-CZ 4.23Å; L391-F510 HydrophobicContact CD1-CE2 4.4Å; L391-F510 HydrophobicContact CD2-CE2 3.88Å; L391-F510 HydrophobicContact CD2-CZ 4.42Å; L391-F510 HydrophobicContact CG-CD2 4.43Å; L391-F510 HydrophobicContact CG-CE2 3.85Å; F413-F510 HydrophobicContact CE1-CE2 4.35Å; F413-F510 AromaticContact CZ-CE2 3.99Å; F413-F510 HydrophobicContact CZ-CE2 3.99Å; W480-F510 HydrophobicContact CH2-CE1 4.13Å; W480-F510 AromaticContact CH2-CZ 3.67Å; W480-F510 HydrophobicContact CH2-CZ 3.67Å; W480-F510 AromaticContact CZ3-CE1 3.86Å; W480-F510 HydrophobicContact CZ3-CE1 3.86Å; W480-F510 AromaticContact CZ3-CZ 3.9Å; W480-F510 HydrophobicContact CZ3-CZ 3.9Å; I489-F510 HydrophobicContact CD1-CD1 3.95Å; I489-F510 HydrophobicContact CD1-CE1 4.13Å; I489-F510 HydrophobicContact CG2-CD1 4Å; H507-F510 HydrophobicContact CB-CE1 3.87Å; H507-F510 HydrophobicContact CB-CZ 4.24Å; H507-F510 VanDerWaalsContact O-CZ 3.29Å; H507-F510 WeakPolarHBondContact O-CZ 3.36Å; F510-K512 PolarHBondContact O-N 3.11Å; F510-I513 WeakPolarHBondContact O-CG2 3.44Å
511G70.7Confident74.3Confident32 Ų3245.2 Ų45.233%0.3325%0.253SS..  trans-57.8-4-170.800000118.4Q386 D509Q386-G511 VanDerWaalsContact NE2-C 3.31Å; Q386-G511 PolarHBondContact NE2-O 2.72Å; Q386-G511 VanDerWaalsContact OE1-CA 3.29Å; Q386-G511 PolarHBondContact OE1-O 3.25Å; D509-G511 PolarHBondContact O-N 3.41Å
512K73.6Confident72Confident40 Ų4050 Ų5017%0.17428%0.281CS..  trans-143.5118.6175.8-64.3-178.7-169.4146.10111.1C490 D491 F510 Q518C490-K512 HydrophobicContact CB-CB 4.04Å; C490-K512 PolarHBondContact N-O 3.21Å; D491-K512 HydrophobicContact CB-CD 4.17Å; D491-K512 IonicContact OD2-NZ 2.92Å; D491-K512 PolarHBondContact OD2-NZ 2.98Å; F510-K512 PolarHBondContact O-N 3.11Å; K512-Q518 VanDerWaalsContact NZ-CD 3.31Å
513I76.1Confident69.7Low2 Ų251.9 Ų51.91%0.0129%0.287CS..  trans-132.2170.6-17565.2177.1000111.5Q386 I390 G488 I489 F510 G515 N516 E585Q386-I513 HydrophobicContact CG-CD1 4.13Å; I390-I513 HydrophobicContact CD1-CB 4.33Å; I390-I513 HydrophobicContact CD1-CD1 4.07Å; I390-I513 HydrophobicContact CD1-CG2 3.7Å; I390-I513 HydrophobicContact CG1-CG2 3.87Å; G488-I513 CarbonylContact O-C 3.5Å; I489-I513 HydrophobicContact CG1-CG2 4.4Å; F510-I513 WeakPolarHBondContact O-CG2 3.44Å; I513-G515 PolarHBondContact O-N 2.99Å; I513-G515 VanDerWaalsContact O-N 3.09Å; I513-N516 WeakPolarHBondContact O-CB 3.42Å; I513-N516 PolarHBondContact O-N 3.2Å; I513-N516 VanDerWaalsContact O-N 3.12Å; I513-E585 HydrophobicContact CD1-CB 4.08Å; I513-E585 HydrophobicContact CG1-CB 3.65Å; I513-E585 HydrophobicContact CG1-CG 4.43Å
514M74.9Confident67.7Low6 Ų655.3 Ų55.33%0.0331%0.309CS..THydrogen-bonded Turntrans55.130.2173.4-61.8153.8-173.200114.3L487 G488 N516 L575 L586 D591 F594 V595L487-M514 PolarHBondContact O-N 3.42Å; G488-M514 PolarHBondContact O-N 3.49Å; M514-N516 VanDerWaalsContact C-N 3.28Å; M514-N516 PolarHBondContact O-N 3.18Å; M514-L575 HydrophobicContact CE-CD1 4.23Å; M514-L575 HydrophobicContact CE-CD2 3.5Å; M514-L575 VanDerWaalsContact CE-CD2 3.5Å; M514-L575 HydrophobicContact CE-CG 4.49Å; M514-L586 HydrophobicContact CE-CB 4.45Å; M514-L586 HydrophobicContact CE-CD1 3.88Å; M514-L586 HydrophobicContact SD-CB 4.23Å; M514-L586 HydrophobicContact SD-CD1 3.85Å; M514-D591 HydrophobicContact SD-CB 3.82Å; M514-F594 HydrophobicContact CB-CD1 4.12Å; M514-F594 HydrophobicContact CB-CE1 4.5Å; M514-V595 HydrophobicContact CG-CG2 4.35Å
515G57Low65.3Low39 Ų3960.6 Ų60.640%0.40233%0.328SS..THydrogen-bonded Turntrans74.910.6177.700000115.2G488 I513 A517G488-G515 PolarHBondContact O-N 3.42Å; I513-G515 PolarHBondContact O-N 2.99Å; I513-G515 VanDerWaalsContact O-N 3.09Å; G515-A517 PolarHBondContact O-N 3.45Å
516N58Low63.3Low77 Ų7763.1 Ų63.141%0.41234%0.341SS..  trans-70.636.1174.5-74.1-41.4000113.6I513 M514 E585I513-N516 WeakPolarHBondContact O-CB 3.42Å; I513-N516 PolarHBondContact O-N 3.2Å; I513-N516 VanDerWaalsContact O-N 3.12Å; M514-N516 VanDerWaalsContact C-N 3.28Å; M514-N516 PolarHBondContact O-N 3.18Å; N516-E585 PolarHBondContact ND2-O 2.8Å
517A54.5Low61.3Low19 Ų1972 Ų7216%0.15738%0.375CS..PPolyproline II helixtrans-64.4149.5-17700000112.7C490 G515 K519 D526C490-A517 HydrophobicContact CB-CB 4.19Å; G515-A517 PolarHBondContact O-N 3.45Å; A517-K519 PolarHBondContact O-N 3.31Å; A517-D526 HydrophobicContact CB-CB 4.19Å
518Q49.8Very low59.8Low106 Ų10673.9 Ų73.950%0.49538%0.382SS..PPolyproline II helixtrans-60.9123172-76.1176.2-4.200110.1K512 R525K512-Q518 VanDerWaalsContact NZ-CD 3.31Å; Q518-R525 WeakPolarHBondContact O-CB 3.48Å; Q518-R525 PolarHBondContact O-N 3.34Å
519K45.7Very low58.5Low160 Ų16073.4 Ų73.470%0.69638%0.382SS*.EExtended strand (participates in β ladder)trans-83.6128.8170.3-63.3177.6-176.7175.60108.4A517A517-K519 PolarHBondContact O-N 3.31Å
520F39.2Very low58.1Low149 Ų14970.7 Ų70.765%0.65437%0.367SS*.EExtended strand (participates in β ladder)trans-109.3119.6167.4-166.7-93000107.6N522 I523F520-N522 PolarHBondContact O-N 3.02Å; F520-I523 PolarHBondContact N-O 3.16Å; F520-I523 PolarHBondContact O-N 3Å; F520-I523 VanDerWaalsContact O-N 3.11Å
521A37Very low57.8Low85 Ų8571.2 Ų71.270%0.70237%0.37SS*.THydrogen-bonded Turntrans50.949.6-176.800000114.1I523A521-I523 PolarHBondContact O-N 2.96Å
522N41.3Very low58.4Low154 Ų15469.7 Ų69.782%0.82435%0.354SS*.THydrogen-bonded Turntrans59.68.9-177.7-69.3-19.4000116.3F520F520-N522 PolarHBondContact O-N 3.02Å
523I43Very low58.8Low83 Ų8368.3 Ų68.343%0.42635%0.349SS..EExtended strand (participates in β ladder)trans-104.8131.7173.8-64.6174.2000108.4F520 A521 R525F520-I523 PolarHBondContact N-O 3.16Å; F520-I523 PolarHBondContact O-N 3Å; F520-I523 VanDerWaalsContact O-N 3.11Å; A521-I523 PolarHBondContact O-N 2.96Å; I523-R525 PolarHBondContact O-N 3.12Å
524P52.8Low59Low72 Ų7269.7 Ų69.747%0.46836%0.36SS..EExtended strand (participates in β ladder)trans-59.3124171.5-18.429.6000110.1D526P524-D526 VanDerWaalsContact C-N 3.32Å
525R44.7Very low59.4Low140 Ų14069.9 Ų69.953%0.52836%0.36SS..SBendtrans-71.3-30.7179.7-157.6178.9-172.4176.81.1111.5Q518 I523Q518-R525 WeakPolarHBondContact O-CB 3.48Å; Q518-R525 PolarHBondContact O-N 3.34Å; I523-R525 PolarHBondContact O-N 3.12Å
526D53.6Low61Low54 Ų5468.1 Ų68.129%0.28934%0.342SS..  trans-92.6107.1170.7-80.3-38000110.6C490 D491 A517 P524C490-D526 WeakPolarHBondContact CB-OD2 3.33Å; D491-D526 PolarHBondContact N-OD2 3.04Å; A517-D526 HydrophobicContact CB-CB 4.19Å; P524-D526 VanDerWaalsContact C-N 3.32Å
527R54.6Low62.4Low187 Ų18767.3 Ų67.371%0.70634%0.335SS*.  trans-104.50.7178.9-64.2-174.4178.2-174.5-2.3113.5
528K64Low63.8Low41 Ų4168.9 Ų68.918%0.17834%0.339CS..  trans-102.3144.2-174.4-68.8-157.7177.8-158.60112.2S619 C622 V625K528-S619 PolarHBondContact NZ-O 2.93Å; K528-C622 HydrophobicContact CD-CB 4.27Å; K528-C622 WeakPolarHBondContact CE-O 3.21Å; K528-C622 WeakPolarHBondContact CE-SG 3.34Å; K528-C622 HydrophobicContact CG-CB 4.3Å; K528-C622 PolarHBondContact NZ-O 3.17Å; K528-V625 HydrophobicContact CD-CB 4.28Å; K528-V625 HydrophobicContact CD-CG2 3.49Å; K528-V625 VanDerWaalsContact CD-CG2 3.49Å; K528-V625 HydrophobicContact CG-CG2 4.3Å; K528-V625 VanDerWaalsContact NZ-CB 3.3Å
529P63.7Low65.7Low29 Ų2963.9 Ų63.919%0.18832%0.316CS..SBendtrans-60.4-43.3169.4-23.734.1000113.6F485 K615 E618F485-P529 HydrophobicContact CD2-CB 3.87Å; F485-P529 HydrophobicContact CE2-CB 4.1Å; P529-K615 HydrophobicContact CB-CB 4.19Å; P529-K615 HydrophobicContact CB-CD 3.86Å; P529-K615 HydrophobicContact CG-CB 4.29Å; P529-K615 HydrophobicContact CG-CD 3.55Å; P529-E618 HydrophobicContact CG-CB 4.33Å
530F79.7Confident67.8Low9 Ų956.2 Ų56.24%0.03928%0.283CS..SBendtrans-163.9176.8176.649.2-93.4000110.9C481 F485 F532 F612 K615 I616 S619C481-F530 HydrophobicContact CB-CD2 3.76Å; C481-F530 HydrophobicContact CB-CE2 3.81Å; C481-F530 HydrophobicContact CB-CG 4.25Å; C481-F530 HydrophobicContact CB-CZ 4.33Å; C481-F530 VanDerWaalsContact SG-CD2 3.58Å; F485-F530 HydrophobicContact CB-CD1 3.91Å; F485-F530 HydrophobicContact CD2-CD1 4.12Å; F485-F530 HydrophobicContact CG-CD1 4.33Å; F530-F532 HydrophobicContact CD2-CB 4.11Å; F530-F532 HydrophobicContact CE2-CB 3.95Å; F530-F532 PolarHBondContact O-N 3.03Å; F530-F612 HydrophobicContact CE1-CE1 4.28Å; F530-F612 HydrophobicContact CE1-CE2 4.39Å; F530-F612 AromaticContact CE1-CZ 3.86Å; F530-F612 HydrophobicContact CE1-CZ 3.86Å; F530-F612 HydrophobicContact CZ-CE1 4.28Å; F530-F612 HydrophobicContact CZ-CZ 4.28Å; F530-K615 HydrophobicContact CE1-CB 4.03Å; F530-I616 HydrophobicContact CE2-CG1 4.38Å; F530-I616 HydrophobicContact CZ-CB 4.22Å; F530-I616 HydrophobicContact CZ-CG1 3.66Å; F530-S619 PolarHBondContact O-OG 3.08Å
531V79.3Confident69.9Low11 Ų1149.7 Ų49.77%0.06726%0.255CS..  trans-90.7105.3178.8179.90000110.9R492 I497 T533 M536 F629R492-V531 HydrophobicContact CB-CB 4.45Å; R492-V531 HydrophobicContact CB-CG2 3.3Å; R492-V531 HydrophobicContact CG-CG2 4.31Å; R492-V531 WeakPolarHBondContact O-CG2 3.05Å; I497-V531 HydrophobicContact CD1-CB 4.01Å; I497-V531 HydrophobicContact CD1-CG1 3.58Å; I497-V531 HydrophobicContact CD1-CG2 4.47Å; V531-T533 HydrophobicContact CG1-CG2 4.05Å; V531-M536 HydrophobicContact CG1-CE 4.4Å; V531-F629 HydrophobicContact CG1-CZ 3.99Å
532F84.6Confident71.9Confident0 Ų046.1 Ų46.10%023%0.227CC..  trans-139119164.8-174.8-110.4000108.3F530 M536 Q537 I540 L550 F553 I616 M620F530-F532 HydrophobicContact CD2-CB 4.11Å; F530-F532 HydrophobicContact CE2-CB 3.95Å; F530-F532 PolarHBondContact O-N 3.03Å; F532-M536 HydrophobicContact CD2-CB 4.17Å; F532-M536 HydrophobicContact CD2-SD 4.25Å; F532-M536 HydrophobicContact CE2-CB 4Å; F532-Q537 HydrophobicContact CE1-CB 4.31Å; F532-Q537 HydrophobicContact CZ-CB 4.24Å; F532-I540 HydrophobicContact CE2-CD1 3.75Å; F532-I540 HydrophobicContact CZ-CD1 3.98Å; F532-L550 HydrophobicContact CE1-CD1 4.41Å; F532-L550 HydrophobicContact CZ-CD1 4.12Å; F532-F553 HydrophobicContact CD1-CE1 4.37Å; F532-F553 AromaticContact CD2-CE1 3.94Å; F532-F553 HydrophobicContact CD2-CE1 3.94Å; F532-F553 HydrophobicContact CD2-CE2 4.48Å; F532-F553 AromaticContact CD2-CZ 3.64Å; F532-F553 HydrophobicContact CD2-CZ 3.64Å; F532-F553 AromaticContact CE1-CE1 3.98Å; F532-F553 HydrophobicContact CE1-CE1 3.98Å; F532-F553 HydrophobicContact CE2-CD1 4.17Å; F532-F553 AromaticContact CE2-CE1 3.49Å; F532-F553 HydrophobicContact CE2-CE1 3.49Å; F532-F553 VanDerWaalsContact CE2-CE1 3.49Å; F532-F553 HydrophobicContact CE2-CE2 4.1Å; F532-F553 AromaticContact CE2-CZ 3.45Å; F532-F553 HydrophobicContact CE2-CZ 3.45Å; F532-F553 VanDerWaalsContact CE2-CZ 3.45Å; F532-F553 HydrophobicContact CG-CE1 4.36Å; F532-F553 HydrophobicContact CG-CZ 4.32Å; F532-F553 AromaticContact CZ-CD1 3.95Å; F532-F553 HydrophobicContact CZ-CD1 3.95Å; F532-F553 AromaticContact CZ-CE1 3.51Å; F532-F553 HydrophobicContact CZ-CE1 3.51Å; F532-F553 AromaticContact CZ-CZ 4Å; F532-F553 HydrophobicContact CZ-CZ 4Å; F532-I616 HydrophobicContact CD1-CG2 4.36Å; F532-I616 HydrophobicContact CE1-CG2 4.49Å; F532-M620 HydrophobicContact CD1-CG 3.45Å; F532-M620 VanDerWaalsContact CD1-CG 3.45Å; F532-M620 HydrophobicContact CD1-SD 4.28Å; F532-M620 HydrophobicContact CE1-CG 3.64Å; F532-M620 HydrophobicContact CE1-SD 3.94Å
533T81.5Confident73.5Confident11 Ų1140.9 Ų40.97%0.06721%0.209CC..  trans-108.5161.3-168.275.90000111.8V531 E535 M536 Q537 V625 F629V531-T533 HydrophobicContact CG1-CG2 4.05Å; T533-E535 PolarHBondContact O-N 2.85Å; T533-E535 PolarHBondContact OG1-N 2.66Å; T533-M536 HydrophobicContact CG2-SD 4.27Å; T533-M536 PolarHBondContact O-N 3.16Å; T533-M536 VanDerWaalsContact O-N 3.15Å; T533-M536 WeakPolarHBondContact OG1-CG 3.44Å; T533-M536 PolarHBondContact OG1-N 3.09Å; T533-Q537 PolarHBondContact O-N 2.96Å; T533-V625 HydrophobicContact CG2-CG1 4.38Å; T533-F629 HydrophobicContact CG2-CE2 3.71Å; T533-F629 HydrophobicContact CG2-CZ 4.35Å
534S79.7Confident74.8Confident32 Ų3239.2 Ų39.222%0.22421%0.212CC..Hα-helixtrans-60.5-27.3173.665.30000113.2H538 K626S534-H538 WeakPolarHBondContact O-CB 3.4Å; S534-H538 PolarHBondContact O-N 3.21Å; S534-K626 WeakPolarHBondContact OG-CE 3.38Å; S534-K626 PolarHBondContact OG-NZ 3.07Å
535E84.8Confident75.7Confident10 Ų1043.4 Ų43.45%0.04723%0.225CC..Hα-helixtrans-70.5-43.5175.5-176.7-168.4-168.400111H438 V449 T451 L452 T533 Q537 H538 F539H438-E535 IonicContact CD2-OE1 3.86Å; H438-E535 IonicContact CE1-OE2 2.66Å; H438-E535 PolarHBondContact CE1-OE2 3.1Å; H438-E535 VanDerWaalsContact CE1-OE2 3.3Å; H438-E535 IonicContact NE2-OE1 2.83Å; H438-E535 PolarHBondContact NE2-OE1 2.77Å; H438-E535 IonicContact NE2-OE2 2.99Å; H438-E535 PolarHBondContact NE2-OE2 3.22Å; V449-E535 WeakPolarHBondContact O-CG 3.34Å; T451-E535 VanDerWaalsContact CB-OE1 3.27Å; T451-E535 WeakPolarHBondContact CB-OE1 3.26Å; L452-E535 HydrophobicContact CB-CG 4.27Å; L452-E535 HydrophobicContact CD1-CG 3.99Å; L452-E535 HydrophobicContact CG-CG 4.01Å; L452-E535 WeakPolarHBondContact CG-OE1 3.38Å; L452-E535 PolarHBondContact N-OE1 3.48Å; T533-E535 PolarHBondContact O-N 2.85Å; T533-E535 PolarHBondContact OG1-N 2.66Å; E535-Q537 VanDerWaalsContact C-N 3.32Å; E535-Q537 PolarHBondContact O-N 2.97Å; E535-H538 PolarHBondContact O-N 2.73Å; E535-F539 PolarHBondContact O-N 2.85Å
536M89.8Confident77.1Confident2 Ų239.4 Ų39.41%0.0121%0.212CC..Hα-helixtrans-62.1-42.4174.2-63.8173.1168.300110.9L434 L452 F473 I497 M505 V531 F532 T533 H538 F539 I540L434-M536 HydrophobicContact CD2-CE 4.03Å; L452-M536 HydrophobicContact CD1-CG 4.05Å; F473-M536 HydrophobicContact CE1-CB 4.28Å; F473-M536 HydrophobicContact CZ-CB 4.08Å; F473-M536 HydrophobicContact CZ-CG 3.89Å; F473-M536 HydrophobicContact CZ-SD 4.48Å; I497-M536 HydrophobicContact CD1-CE 4.29Å; M505-M536 HydrophobicContact CE-CE 4.01Å; M505-M536 HydrophobicContact CE-SD 4.37Å; V531-M536 HydrophobicContact CG1-CE 4.4Å; F532-M536 HydrophobicContact CD2-CB 4.17Å; F532-M536 HydrophobicContact CD2-SD 4.25Å; F532-M536 HydrophobicContact CE2-CB 4Å; T533-M536 HydrophobicContact CG2-SD 4.27Å; T533-M536 PolarHBondContact O-N 3.16Å; T533-M536 VanDerWaalsContact O-N 3.15Å; T533-M536 WeakPolarHBondContact OG1-CG 3.44Å; T533-M536 PolarHBondContact OG1-N 3.09Å; M536-H538 PolarHBondContact O-N 3.18Å; M536-F539 PolarHBondContact O-N 3.11Å; M536-I540 VanDerWaalsContact O-CG1 3.28Å; M536-I540 WeakPolarHBondContact O-CG1 3.46Å; M536-I540 PolarHBondContact O-N 3.3Å
537Q86.6Confident78.1Confident60 Ų6037.8 Ų37.828%0.2820%0.204SC..Hα-helixtrans-59.3-47174.1-176.9-167.1-5.100111.8F532 T533 E535 F539 I540 T541 L550 M620F532-Q537 HydrophobicContact CE1-CB 4.31Å; F532-Q537 HydrophobicContact CZ-CB 4.24Å; T533-Q537 PolarHBondContact O-N 2.96Å; E535-Q537 VanDerWaalsContact C-N 3.32Å; E535-Q537 PolarHBondContact O-N 2.97Å; Q537-F539 VanDerWaalsContact C-N 3.32Å; Q537-F539 PolarHBondContact O-N 3.46Å; Q537-I540 PolarHBondContact O-N 2.77Å; Q537-T541 WeakPolarHBondContact O-CG2 3.33Å; Q537-T541 PolarHBondContact O-N 2.82Å; Q537-T541 PolarHBondContact O-OG1 3.19Å; Q537-T541 VanDerWaalsContact O-OG1 3.1Å; Q537-L550 HydrophobicContact CG-CD1 4.19Å; Q537-L550 HydrophobicContact CG-CD2 4.04Å; Q537-M620 VanDerWaalsContact OE1-CE 3.31Å
538H85.6Confident79.1Confident51 Ų5133.8 Ų33.824%0.23619%0.193CC..Hα-helixtrans-61.3-41.1179.4-177.391.2000112.1V449 E453 S534 E535 M536 T541 G542 G543V449-H538 HydrophobicContact CG1-CB 3.53Å; V449-H538 PolarHBondContact O-CD2 3.07Å; E453-H538 IonicContact OE2-CD2 3.59Å; E453-H538 PolarHBondContact OE2-CD2 3.29Å; E453-H538 IonicContact OE2-NE2 2.81Å; E453-H538 PolarHBondContact OE2-NE2 3.24Å; S534-H538 WeakPolarHBondContact O-CB 3.4Å; S534-H538 PolarHBondContact O-N 3.21Å; E535-H538 PolarHBondContact O-N 2.73Å; M536-H538 PolarHBondContact O-N 3.18Å; H538-T541 PolarHBondContact O-N 3.33Å; H538-T541 PolarHBondContact O-OG1 3.32Å; H538-G542 PolarHBondContact O-N 3.17Å; H538-G543 WeakPolarHBondContact CE1-CA 3.33Å; H538-G543 PolarHBondContact O-N 2.86Å
539F89.6Confident80.2Confident1 Ų133.6 Ų33.60%0.00419%0.192CC..Hα-helixtrans-63.4-45.8174.5176.2-124.4000112L452 E453 F456 Y466 V470 F473 E535 M536 Q537 T541 G542L452-F539 HydrophobicContact CB-CB 4.11Å; L452-F539 HydrophobicContact CB-CG 4.22Å; E453-F539 HydrophobicContact CB-CD2 4.06Å; F456-F539 HydrophobicContact CB-CE2 3.87Å; F456-F539 HydrophobicContact CB-CZ 4.01Å; F456-F539 HydrophobicContact CD1-CZ 4.41Å; F456-F539 HydrophobicContact CD2-CD1 4.27Å; F456-F539 HydrophobicContact CD2-CD2 4.22Å; F456-F539 AromaticContact CD2-CE1 3.54Å; F456-F539 HydrophobicContact CD2-CE1 3.54Å; F456-F539 AromaticContact CD2-CE2 3.48Å; F456-F539 HydrophobicContact CD2-CE2 3.48Å; F456-F539 VanDerWaalsContact CD2-CE2 3.48Å; F456-F539 AromaticContact CD2-CZ 3.09Å; F456-F539 HydrophobicContact CD2-CZ 3.09Å; F456-F539 HydrophobicContact CE2-CD1 4.22Å; F456-F539 AromaticContact CE2-CE1 3.48Å; F456-F539 HydrophobicContact CE2-CE1 3.48Å; F456-F539 VanDerWaalsContact CE2-CE1 3.48Å; F456-F539 HydrophobicContact CE2-CE2 4.29Å; F456-F539 AromaticContact CE2-CZ 3.53Å; F456-F539 HydrophobicContact CE2-CZ 3.53Å; F456-F539 HydrophobicContact CG-CE1 4.4Å; F456-F539 AromaticContact CG-CE2 3.93Å; F456-F539 HydrophobicContact CG-CE2 3.93Å; F456-F539 AromaticContact CG-CZ 3.59Å; F456-F539 HydrophobicContact CG-CZ 3.59Å; F456-F539 HydrophobicContact CZ-CE1 4.31Å; F456-F539 HydrophobicContact CZ-CZ 4.35Å; Y466-F539 AromaticContact CE2-CE2 3.97Å; Y466-F539 HydrophobicContact CE2-CE2 3.97Å; Y466-F539 AromaticContact CZ-CE2 3.94Å; Y466-F539 WeakPolarHBondContact OH-CE2 3.37Å; V470-F539 HydrophobicContact CB-CZ 4.36Å; V470-F539 HydrophobicContact CG2-CE1 4.45Å; V470-F539 HydrophobicContact CG2-CE2 3.74Å; V470-F539 HydrophobicContact CG2-CZ 3.61Å; F473-F539 HydrophobicContact CB-CE1 3.75Å; F473-F539 AromaticContact CD1-CD1 3.69Å; F473-F539 HydrophobicContact CD1-CD1 3.69Å; F473-F539 AromaticContact CD1-CE1 3.77Å; F473-F539 HydrophobicContact CD1-CE1 3.77Å; F473-F539 HydrophobicContact CD2-CD1 4.32Å; F473-F539 HydrophobicContact CD2-CE1 4.02Å; F473-F539 AromaticContact CE1-CD1 3.92Å; F473-F539 HydrophobicContact CE1-CD1 3.92Å; F473-F539 HydrophobicContact CE1-CE1 4.41Å; F473-F539 AromaticContact CG-CD1 3.92Å; F473-F539 HydrophobicContact CG-CD1 3.92Å; F473-F539 AromaticContact CG-CE1 3.56Å; F473-F539 HydrophobicContact CG-CE1 3.56Å; F473-F539 HydrophobicContact CZ-CD1 4.34Å; E535-F539 PolarHBondContact O-N 2.85Å; M536-F539 PolarHBondContact O-N 3.11Å; Q537-F539 VanDerWaalsContact C-N 3.32Å; Q537-F539 PolarHBondContact O-N 3.46Å; F539-T541 VanDerWaalsContact C-N 3.31Å; F539-T541 PolarHBondContact O-N 2.89Å; F539-G542 PolarHBondContact O-N 3.13Å
540I88.9Confident81.2Confident0 Ų033.4 Ų33.40%019%0.189CC..Hα-helixtrans-59.3-42.7177.1-71.9172.1000111.1F473 I474 F532 M536 Q537 R549 L550 F553F473-I540 HydrophobicContact CD1-CD1 4.38Å; F473-I540 HydrophobicContact CD1-CG1 4.01Å; F473-I540 HydrophobicContact CE1-CD1 4.05Å; F473-I540 HydrophobicContact CE1-CG1 3.95Å; I474-I540 HydrophobicContact CD1-CG2 4.12Å; I474-I540 HydrophobicContact CG1-CB 4.49Å; I474-I540 HydrophobicContact CG1-CD1 4.32Å; I474-I540 HydrophobicContact CG1-CG1 3.87Å; I474-I540 HydrophobicContact CG1-CG2 4.09Å; F532-I540 HydrophobicContact CE2-CD1 3.75Å; F532-I540 HydrophobicContact CZ-CD1 3.98Å; M536-I540 VanDerWaalsContact O-CG1 3.28Å; M536-I540 WeakPolarHBondContact O-CG1 3.46Å; M536-I540 PolarHBondContact O-N 3.3Å; Q537-I540 PolarHBondContact O-N 2.77Å; I540-R549 HydrophobicContact CG2-CB 3.73Å; I540-R549 VanDerWaalsContact O-CB 3.23Å; I540-R549 WeakPolarHBondContact O-CB 3.42Å; I540-R549 WeakPolarHBondContact O-CD 3.46Å; I540-L550 HydrophobicContact CG2-CB 4.45Å; I540-F553 HydrophobicContact CD1-CB 4.41Å; I540-F553 HydrophobicContact CD1-CD2 4.06Å; I540-F553 HydrophobicContact CD1-CG 4.05Å
541T82.5Confident81.3Confident12 Ų1233.9 Ų33.97%0.07419%0.191CC..Hα-helixtrans-87.1-2.1-177.162.50000114.2Q537 H538 F539 G544 E545 K546 L550Q537-T541 WeakPolarHBondContact O-CG2 3.33Å; Q537-T541 PolarHBondContact O-N 2.82Å; Q537-T541 PolarHBondContact O-OG1 3.19Å; Q537-T541 VanDerWaalsContact O-OG1 3.1Å; H538-T541 PolarHBondContact O-N 3.33Å; H538-T541 PolarHBondContact O-OG1 3.32Å; F539-T541 VanDerWaalsContact C-N 3.31Å; F539-T541 PolarHBondContact O-N 2.89Å; T541-G544 CarbonylContact O-C 3.47Å; T541-G544 PolarHBondContact O-N 2.79Å; T541-G544 VanDerWaalsContact O-N 3.16Å; T541-G544 PolarHBondContact OG1-N 2.97Å; T541-G544 VanDerWaalsContact OG1-N 3.16Å; T541-E545 PolarHBondContact O-N 3.34Å; T541-E545 VanDerWaalsContact O-N 3.14Å; T541-K546 PolarHBondContact O-N 3.12Å; T541-L550 HydrophobicContact CG2-CB 3.87Å; T541-L550 HydrophobicContact CG2-CD2 4.42Å
542G80.9Confident81.7Confident10 Ų1036.4 Ų36.410%0.10320%0.202CC..THydrogen-bonded Turntrans5453.2-172.800000111.5H538 F539 G544 E545H538-G542 PolarHBondContact O-N 3.17Å; F539-G542 PolarHBondContact O-N 3.13Å; G542-G544 PolarHBondContact O-N 3.12Å; G542-E545 WeakPolarHBondContact O-CB 3.4Å; G542-E545 WeakPolarHBondContact O-CG 3.41Å; G542-E545 PolarHBondContact O-N 2.75Å
543G73Confident82.1Confident44 Ų4436.4 Ų36.445%0.45420%0.202SC..THydrogen-bonded Turntrans71.112.5-177.700000115.9H538H538-G543 WeakPolarHBondContact CE1-CA 3.33Å; H538-G543 PolarHBondContact O-N 2.86Å
544G71.1Confident82.5Confident47 Ų4736.3 Ų36.349%0.48520%0.201SC..THydrogen-bonded Turntrans97.80.3-176.300000114.1T541 G542 K546T541-G544 CarbonylContact O-C 3.47Å; T541-G544 PolarHBondContact O-N 2.79Å; T541-G544 VanDerWaalsContact O-N 3.16Å; T541-G544 PolarHBondContact OG1-N 2.97Å; T541-G544 VanDerWaalsContact OG1-N 3.16Å; G542-G544 PolarHBondContact O-N 3.12Å; G544-K546 VanDerWaalsContact C-N 3.31Å
545E71.1Confident82.9Confident160 Ų16037.3 Ų37.375%0.74820%0.203SC*.THydrogen-bonded Turntrans-69.7-27.7176-65-175171.300112.9T541 G542 P547T541-E545 PolarHBondContact O-N 3.34Å; T541-E545 VanDerWaalsContact O-N 3.14Å; G542-E545 WeakPolarHBondContact O-CB 3.4Å; G542-E545 WeakPolarHBondContact O-CG 3.41Å; G542-E545 PolarHBondContact O-N 2.75Å; E545-P547 VanDerWaalsContact C-CD 3.49Å; E545-P547 WeakPolarHBondContact O-CD 3.33Å
546K75.2Confident83.4Confident56 Ų5637.4 Ų37.424%0.24320%0.203CC..  trans-127.664.9-176.2-61.9179.4-173.5158.10111.9E467 T541 G544 Q548 R549E467-K546 IonicContact OE1-NZ 3.12Å; E467-K546 PolarHBondContact OE1-NZ 3.09Å; E467-K546 IonicContact OE2-NZ 2.89Å; T541-K546 PolarHBondContact O-N 3.12Å; G544-K546 VanDerWaalsContact C-N 3.31Å; K546-Q548 VanDerWaalsContact CA-OE1 3.31Å; K546-Q548 PolarHBondContact O-N 3.03Å; K546-R549 HydrophobicContact CB-CG 4.22Å; K546-R549 VanDerWaalsContact CD-NH2 3.31Å; K546-R549 PolarHBondContact O-N 2.93Å
547P73.6Confident83.7Confident21 Ų2137.3 Ų37.314%0.13620%0.203CC..THydrogen-bonded Turntrans-59.4-28.2-177.326.2-35.2000113.5E545 R549 L550 H825E545-P547 VanDerWaalsContact C-CD 3.49Å; E545-P547 WeakPolarHBondContact O-CD 3.33Å; P547-R549 PolarHBondContact O-N 3.31Å; P547-R549 VanDerWaalsContact O-N 3.14Å; P547-L550 WeakPolarHBondContact O-CB 3.4Å; P547-L550 PolarHBondContact O-N 3.46Å; P547-H825 HydrophobicContact CB-CB 4.38Å; P547-H825 HydrophobicContact CG-CB 4.35Å
548Q77.1Confident84.1Confident102 Ų10234.6 Ų34.648%0.47719%0.191SC..Hα-helixtrans-57.8-26.2177.566.3-83.722.800113.9K546 L550 H551 H552K546-Q548 VanDerWaalsContact CA-OE1 3.31Å; K546-Q548 PolarHBondContact O-N 3.03Å; Q548-L550 VanDerWaalsContact C-N 3.3Å; Q548-L550 PolarHBondContact O-N 3.11Å; Q548-H551 WeakPolarHBondContact O-CB 3.35Å; Q548-H551 PolarHBondContact O-N 3.42Å; Q548-H551 VanDerWaalsContact O-N 3.17Å; Q548-H552 PolarHBondContact O-N 2.99Å; Q548-H552 VanDerWaalsContact O-N 3.1Å
549R85.1Confident84.7Confident37 Ų3736.9 Ų36.914%0.1420%0.201CC..Hα-helixtrans-67.7-32176.6-69.3178.8177.9-175.5-2.8112.8E467 I474 I540 K546 P547 H551 H552 F553E467-R549 IonicContact OE1-CZ 2.67Å; E467-R549 IonicContact OE1-NH1 2.68Å; E467-R549 IonicContact OE1-NH2 2.81Å; E467-R549 PolarHBondContact OE1-NH2 3.39Å; E467-R549 IonicContact OE2-CZ 3.53Å; E467-R549 IonicContact OE2-NH1 3.45Å; E467-R549 PolarHBondContact OE2-NH1 2.94Å; E467-R549 IonicContact OE2-NH2 3.32Å; E467-R549 PolarHBondContact OE2-NH2 3.5Å; I474-R549 HydrophobicContact CD1-CB 4.04Å; I474-R549 HydrophobicContact CD1-CG 4.37Å; I540-R549 HydrophobicContact CG2-CB 3.73Å; I540-R549 VanDerWaalsContact O-CB 3.23Å; I540-R549 WeakPolarHBondContact O-CB 3.42Å; I540-R549 WeakPolarHBondContact O-CD 3.46Å; K546-R549 HydrophobicContact CB-CG 4.22Å; K546-R549 VanDerWaalsContact CD-NH2 3.31Å; K546-R549 PolarHBondContact O-N 2.93Å; P547-R549 PolarHBondContact O-N 3.31Å; P547-R549 VanDerWaalsContact O-N 3.14Å; R549-H551 VanDerWaalsContact C-N 3.29Å; R549-H552 PolarHBondContact O-N 3.07Å; R549-F553 WeakPolarHBondContact O-CB 3.4Å; R549-F553 PolarHBondContact O-N 3.24Å
550L85Confident85.1Confident25 Ų2536.8 Ų36.813%0.13120%0.201CC..Hα-helixtrans-69.7-31.6174.5-174.562.3000111.1F532 Q537 I540 T541 P547 Q548 F553 V554F532-L550 HydrophobicContact CE1-CD1 4.41Å; F532-L550 HydrophobicContact CZ-CD1 4.12Å; Q537-L550 HydrophobicContact CG-CD1 4.19Å; Q537-L550 HydrophobicContact CG-CD2 4.04Å; I540-L550 HydrophobicContact CG2-CB 4.45Å; T541-L550 HydrophobicContact CG2-CB 3.87Å; T541-L550 HydrophobicContact CG2-CD2 4.42Å; P547-L550 WeakPolarHBondContact O-CB 3.4Å; P547-L550 PolarHBondContact O-N 3.46Å; Q548-L550 VanDerWaalsContact C-N 3.3Å; Q548-L550 PolarHBondContact O-N 3.11Å; L550-F553 HydrophobicContact CD1-CD1 4.16Å; L550-V554 VanDerWaalsContact O-CG2 3.29Å; L550-V554 WeakPolarHBondContact O-CG2 3.46Å; L550-V554 PolarHBondContact O-N 2.83Å
551H82.6Confident85.5Confident19 Ų1936.8 Ų36.89%0.08820%0.201CC..Hα-helixtrans-63.8-52.8172.6-58.3-23.4000110.7Q548 R549 F553 V554 E555 H785 H825 T827Q548-H551 WeakPolarHBondContact O-CB 3.35Å; Q548-H551 PolarHBondContact O-N 3.42Å; Q548-H551 VanDerWaalsContact O-N 3.17Å; R549-H551 VanDerWaalsContact C-N 3.29Å; H551-F553 VanDerWaalsContact C-N 3.28Å; H551-F553 PolarHBondContact O-N 2.86Å; H551-V554 PolarHBondContact O-N 3.22Å; H551-E555 WeakPolarHBondContact O-CG 3.38Å; H551-E555 PolarHBondContact O-N 3.25Å; H551-H785 AromaticContact CG-ND1 3.92Å; H551-H785 AromaticContact ND1-ND1 3.99Å; H551-H825 PolarHBondContact CE1-O 3.23Å; H551-H825 VanDerWaalsContact NE2-CB 3.28Å; H551-H825 WeakPolarHBondContact NE2-CB 3.15Å; H551-H825 PolarHBondContact NE2-O 3.11Å; H551-T827 PolarHBondContact CE1-OG1 3.48Å; H551-T827 PolarHBondContact ND1-OG1 2.83Å
552H87.6Confident86.3Confident64 Ų6437.3 Ų37.330%0.29620%0.203SC..Hα-helixtrans-55.2-44.2177.3-177.952.8000112Q548 R549 V554 E555 L556Q548-H552 PolarHBondContact O-N 2.99Å; Q548-H552 VanDerWaalsContact O-N 3.1Å; R549-H552 PolarHBondContact O-N 3.07Å; H552-V554 PolarHBondContact O-N 2.88Å; H552-E555 PolarHBondContact O-N 2.93Å; H552-L556 WeakPolarHBondContact NE2-CD1 3.4Å; H552-L556 WeakPolarHBondContact O-CB 3.25Å; H552-L556 VanDerWaalsContact O-CG 3.29Å; H552-L556 WeakPolarHBondContact O-CG 3.49Å; H552-L556 PolarHBondContact O-N 2.89Å
553F93.2Very high87.1Confident0 Ų037.7 Ų37.70%020%0.203CC..Hα-helixtrans-57.6-45.7173.9170.8-101000113.1I474 C477 A478 F532 I540 R549 L550 H551 C557 I616I474-F553 HydrophobicContact CG2-CB 4.01Å; I474-F553 HydrophobicContact CG2-CD2 4.34Å; C477-F553 HydrophobicContact CB-CE2 3.98Å; A478-F553 HydrophobicContact CB-CD2 4.15Å; A478-F553 HydrophobicContact CB-CE2 4.06Å; F532-F553 HydrophobicContact CD1-CE1 4.37Å; F532-F553 AromaticContact CD2-CE1 3.94Å; F532-F553 HydrophobicContact CD2-CE1 3.94Å; F532-F553 HydrophobicContact CD2-CE2 4.48Å; F532-F553 AromaticContact CD2-CZ 3.64Å; F532-F553 HydrophobicContact CD2-CZ 3.64Å; F532-F553 AromaticContact CE1-CE1 3.98Å; F532-F553 HydrophobicContact CE1-CE1 3.98Å; F532-F553 HydrophobicContact CE2-CD1 4.17Å; F532-F553 AromaticContact CE2-CE1 3.49Å; F532-F553 HydrophobicContact CE2-CE1 3.49Å; F532-F553 VanDerWaalsContact CE2-CE1 3.49Å; F532-F553 HydrophobicContact CE2-CE2 4.1Å; F532-F553 AromaticContact CE2-CZ 3.45Å; F532-F553 HydrophobicContact CE2-CZ 3.45Å; F532-F553 VanDerWaalsContact CE2-CZ 3.45Å; F532-F553 HydrophobicContact CG-CE1 4.36Å; F532-F553 HydrophobicContact CG-CZ 4.32Å; F532-F553 AromaticContact CZ-CD1 3.95Å; F532-F553 HydrophobicContact CZ-CD1 3.95Å; F532-F553 AromaticContact CZ-CE1 3.51Å; F532-F553 HydrophobicContact CZ-CE1 3.51Å; F532-F553 AromaticContact CZ-CZ 4Å; F532-F553 HydrophobicContact CZ-CZ 4Å; I540-F553 HydrophobicContact CD1-CB 4.41Å; I540-F553 HydrophobicContact CD1-CD2 4.06Å; I540-F553 HydrophobicContact CD1-CG 4.05Å; R549-F553 WeakPolarHBondContact O-CB 3.4Å; R549-F553 PolarHBondContact O-N 3.24Å; L550-F553 HydrophobicContact CD1-CD1 4.16Å; H551-F553 VanDerWaalsContact C-N 3.28Å; H551-F553 PolarHBondContact O-N 2.86Å; F553-C557 VanDerWaalsContact CZ-SG 3.6Å; F553-C557 WeakPolarHBondContact O-CB 3.42Å; F553-C557 PolarHBondContact O-N 2.67Å; F553-C557 PolarHBondContact O-SG 3.1Å; F553-I616 HydrophobicContact CE1-CG2 4.27Å
554V89.5Confident88.3Confident9 Ų935.7 Ų35.76%0.05518%0.182CC..Hα-helixtrans-66.8-41.2179.1171.10000111.2L550 H551 H552 C557 C558 T613 I616 T827 N829L550-V554 VanDerWaalsContact O-CG2 3.29Å; L550-V554 WeakPolarHBondContact O-CG2 3.46Å; L550-V554 PolarHBondContact O-N 2.83Å; H551-V554 PolarHBondContact O-N 3.22Å; H552-V554 PolarHBondContact O-N 2.88Å; V554-C557 WeakPolarHBondContact O-CB 3.34Å; V554-C557 PolarHBondContact O-N 3.41Å; V554-C558 PolarHBondContact O-N 3.02Å; V554-C558 PolarHBondContact O-SG 3.35Å; V554-T613 HydrophobicContact CG1-CG2 4.1Å; V554-I616 HydrophobicContact CB-CD1 4.33Å; V554-I616 HydrophobicContact CG1-CD1 4.07Å; V554-I616 HydrophobicContact CG2-CD1 4.11Å; V554-I616 HydrophobicContact CG2-CG2 4.39Å; V554-T827 HydrophobicContact CG1-CG2 4.15Å; V554-N829 WeakPolarHBondContact CG1-ND2 3.34Å
555E87.9Confident89.6Confident54 Ų5434.2 Ų34.225%0.25216%0.161SC..Hα-helixtrans-61.7-50.3176.2-70.6-174.1127.600111.2H551 H552 C557 C558 E559 K784 H785H551-E555 WeakPolarHBondContact O-CG 3.38Å; H551-E555 PolarHBondContact O-N 3.25Å; H552-E555 PolarHBondContact O-N 2.93Å; E555-C557 VanDerWaalsContact C-N 3.28Å; E555-C557 PolarHBondContact O-N 2.83Å; E555-C558 PolarHBondContact O-N 3.35Å; E555-C558 VanDerWaalsContact O-N 3.07Å; E555-E559 WeakPolarHBondContact O-CB 3.37Å; E555-E559 PolarHBondContact O-N 3.32Å; E555-K784 WeakPolarHBondContact OE1-CE 3.36Å; E555-K784 IonicContact OE1-NZ 3.86Å; E555-K784 PolarHBondContact OE1-NZ 2.81Å; E555-H785 WeakPolarHBondContact CG-NE2 3.49Å; E555-H785 IonicContact OE1-CD2 3.39Å; E555-H785 IonicContact OE1-NE2 3.59Å; E555-H785 PolarHBondContact OE1-NE2 3.08Å; E555-H785 VanDerWaalsContact OE1-NE2 3.15Å
556L96.3Very high90.8Very high11 Ų1130.3 Ų30.36%0.05815%0.152CC..Hα-helixtrans-54.8-44.2175.7-74.5173.8000111.9L406 L408 I474 Q475 A478 H552 A560L406-L556 HydrophobicContact CD1-CD2 3.69Å; L408-L556 HydrophobicContact CD2-CD2 4.28Å; I474-L556 HydrophobicContact CG2-CD1 3.75Å; Q475-L556 HydrophobicContact CG-CD1 4.25Å; A478-L556 HydrophobicContact CB-CB 3.93Å; H552-L556 WeakPolarHBondContact NE2-CD1 3.4Å; H552-L556 WeakPolarHBondContact O-CB 3.25Å; H552-L556 VanDerWaalsContact O-CG 3.29Å; H552-L556 WeakPolarHBondContact O-CG 3.49Å; H552-L556 PolarHBondContact O-N 2.89Å; L556-A560 WeakPolarHBondContact O-CB 3.22Å; L556-A560 PolarHBondContact O-N 3.39Å
557C96.2Very high91.7Very high0 Ų029.7 Ų29.70%015%0.148CC..Hα-helixtrans-60.2-45.7176.6-76.50000112.5V482 F553 V554 E555 Y561 F612 I616V482-C557 WeakPolarHBondContact CG2-O 3.42Å; F553-C557 VanDerWaalsContact CZ-SG 3.6Å; F553-C557 WeakPolarHBondContact O-CB 3.42Å; F553-C557 PolarHBondContact O-N 2.67Å; F553-C557 PolarHBondContact O-SG 3.1Å; V554-C557 WeakPolarHBondContact O-CB 3.34Å; V554-C557 PolarHBondContact O-N 3.41Å; E555-C557 VanDerWaalsContact C-N 3.28Å; E555-C557 PolarHBondContact O-N 2.83Å; C557-Y561 VanDerWaalsContact O-CB 3.23Å; C557-Y561 WeakPolarHBondContact O-CB 3.42Å; C557-Y561 PolarHBondContact O-N 3.28Å; C557-F612 HydrophobicContact CB-CD1 4.02Å; C557-F612 HydrophobicContact CB-CE1 3.74Å; C557-I616 HydrophobicContact CB-CD1 3.72Å
558C94.9Very high92.8Very high4 Ų428.7 Ų28.73%0.02714%0.142CC..Hα-helixtrans-70.9-39.4-178.6-73.30000112.4V554 E555 N562 T609 T613V554-C558 PolarHBondContact O-N 3.02Å; V554-C558 PolarHBondContact O-SG 3.35Å; E555-C558 PolarHBondContact O-N 3.35Å; E555-C558 VanDerWaalsContact O-N 3.07Å; C558-N562 WeakPolarHBondContact O-CB 3.2Å; C558-N562 PolarHBondContact O-N 3.49Å; C558-N562 PolarHBondContact O-ND2 3.23Å; C558-N562 VanDerWaalsContact O-ND2 3.15Å; C558-T609 HydrophobicContact CB-CG2 3.93Å; C558-T609 PolarHBondContact SG-O 3.3Å; C558-T613 PolarHBondContact SG-OG1 2.93Å
559E96.9Very high93.8Very high98 Ų9823.9 Ų23.946%0.45812%0.12SC..Hα-helixtrans-63-53.2174.5-174.3176.3-165.300110.7L406 E555 Y561 N562 I563L406-E559 HydrophobicContact CD2-CG 4.2Å; E555-E559 WeakPolarHBondContact O-CB 3.37Å; E555-E559 PolarHBondContact O-N 3.32Å; E559-Y561 VanDerWaalsContact C-N 3.3Å; E559-Y561 PolarHBondContact O-N 3.07Å; E559-N562 PolarHBondContact O-N 2.81Å; E559-N562 VanDerWaalsContact O-N 3.1Å; E559-I563 HydrophobicContact CG-CD1 4Å; E559-I563 WeakPolarHBondContact O-CG1 3.48Å; E559-I563 PolarHBondContact O-N 3.34Å
560A98.5Very high94.3Very high0 Ų022.1 Ų22.10%011%0.113CC..Hα-helixtrans-56.9-41.7176.800000112.6W401 L406 L408 V482 L556 I564W401-A560 HydrophobicContact CZ2-CB 4.18Å; W401-A560 PolarHBondContact NE1-O 3.32Å; L406-A560 HydrophobicContact CD2-CB 3.91Å; L408-A560 HydrophobicContact CD1-CB 3.57Å; V482-A560 HydrophobicContact CG2-CB 4.04Å; L556-A560 WeakPolarHBondContact O-CB 3.22Å; L556-A560 PolarHBondContact O-N 3.39Å; A560-I564 PolarHBondContact O-N 3.22Å
561Y98.4Very high94.9Very high0 Ų021 Ų210%011%0.107CC..Hα-helixtrans-64.3-43.6175.8174.4-105.1000112.3V482 F485 I486 C557 E559 I564 R565 N598 L599 A608 F612V482-Y561 HydrophobicContact CG1-CD2 4.49Å; F485-Y561 HydrophobicContact CD1-CE2 4.18Å; F485-Y561 AromaticContact CE1-CE2 3.94Å; F485-Y561 HydrophobicContact CE1-CE2 3.94Å; I486-Y561 HydrophobicContact CD1-CD2 4.27Å; I486-Y561 HydrophobicContact CG1-CD2 4.33Å; I486-Y561 HydrophobicContact CG1-CE2 4.38Å; C557-Y561 VanDerWaalsContact O-CB 3.23Å; C557-Y561 WeakPolarHBondContact O-CB 3.42Å; C557-Y561 PolarHBondContact O-N 3.28Å; E559-Y561 VanDerWaalsContact C-N 3.3Å; E559-Y561 PolarHBondContact O-N 3.07Å; Y561-I564 PolarHBondContact O-N 3.04Å; Y561-R565 WeakPolarHBondContact O-CB 3.42Å; Y561-R565 PolarHBondContact O-N 3.18Å; Y561-N598 WeakPolarHBondContact CE2-O 3.4Å; Y561-N598 PolarHBondContact OH-O 3.3Å; Y561-L599 PolarHBondContact OH-O 3.31Å; Y561-A608 HydrophobicContact CD1-CB 4.32Å; Y561-A608 HydrophobicContact CE1-CB 3.84Å; Y561-F612 HydrophobicContact CD1-CB 3.97Å; Y561-F612 HydrophobicContact CD1-CD2 4.03Å; Y561-F612 HydrophobicContact CD1-CG 4.19Å; Y561-F612 AromaticContact CD2-CD2 3.56Å; Y561-F612 HydrophobicContact CD2-CD2 3.56Å; Y561-F612 AromaticContact CD2-CE2 3.8Å; Y561-F612 HydrophobicContact CD2-CE2 3.8Å; Y561-F612 HydrophobicContact CD2-CG 4.4Å; Y561-F612 HydrophobicContact CE1-CB 4.38Å; Y561-F612 HydrophobicContact CE1-CD2 4.4Å; Y561-F612 AromaticContact CE2-CD2 3.97Å; Y561-F612 HydrophobicContact CE2-CD2 3.97Å; Y561-F612 HydrophobicContact CE2-CE2 4.37Å; Y561-F612 HydrophobicContact CG-CB 4.27Å; Y561-F612 AromaticContact CG-CD2 3.59Å; Y561-F612 HydrophobicContact CG-CD2 3.59Å; Y561-F612 HydrophobicContact CG-CE2 4.13Å; Y561-F612 AromaticContact CG-CG 3.98Å; Y561-F612 HydrophobicContact CG-CG 3.98Å
562N98.1Very high95.6Very high22 Ų2220.2 Ų20.212%0.11810%0.103CC..Hα-helixtrans-65-39.6177.7-85.8-46.3000112.7C558 E559 R565 S566 D605 A608 T609C558-N562 WeakPolarHBondContact O-CB 3.2Å; C558-N562 PolarHBondContact O-N 3.49Å; C558-N562 PolarHBondContact O-ND2 3.23Å; C558-N562 VanDerWaalsContact O-ND2 3.15Å; E559-N562 PolarHBondContact O-N 2.81Å; E559-N562 VanDerWaalsContact O-N 3.1Å; N562-R565 PolarHBondContact O-N 3.29Å; N562-R565 PolarHBondContact OD1-NE 2.86Å; N562-R565 VanDerWaalsContact OD1-NE 3.07Å; N562-R565 PolarHBondContact OD1-NH2 2.94Å; N562-S566 PolarHBondContact O-N 3Å; N562-D605 PolarHBondContact ND2-O 3.12Å; N562-A608 WeakPolarHBondContact OD1-CB 3.35Å; N562-T609 PolarHBondContact ND2-OG1 3.31Å; N562-T609 VanDerWaalsContact ND2-OG1 3.1Å
563I98.5Very high96Very high19 Ų1917.1 Ų17.110%0.0979%0.089CC..Hα-helixtrans-60.4-47.9176-71164.9000111V400 E404 L406 E559 S566V400-I563 HydrophobicContact CG1-CG2 3.59Å; E404-I563 HydrophobicContact CB-CD1 3.87Å; E404-I563 HydrophobicContact CB-CG1 4.3Å; E404-I563 HydrophobicContact CB-CG2 4.36Å; E404-I563 HydrophobicContact CG-CD1 4.3Å; E404-I563 HydrophobicContact CG-CG1 4.19Å; E404-I563 HydrophobicContact CG-CG2 3.76Å; L406-I563 HydrophobicContact CB-CD1 4.23Å; L406-I563 HydrophobicContact CD2-CD1 3.73Å; E559-I563 HydrophobicContact CG-CD1 4Å; E559-I563 WeakPolarHBondContact O-CG1 3.48Å; E559-I563 PolarHBondContact O-N 3.34Å; I563-S566 PolarHBondContact O-N 3.05Å; I563-S566 PolarHBondContact O-OG 3.33Å
564I98.3Very high96.1Very high2 Ų217.1 Ų17.11%0.019%0.089CC..Hα-helixtrans-70.7-35.4177.8-58.4-53.3000111.6M397 V400 W401 I486 A560 Y561 S566 R567 S568 I571 L599M397-I564 HydrophobicContact CB-CD1 3.82Å; M397-I564 HydrophobicContact CB-CG1 4.37Å; M397-I564 HydrophobicContact CE-CG2 4.21Å; M397-I564 HydrophobicContact CG-CD1 3.89Å; M397-I564 HydrophobicContact CG-CG1 4.18Å; M397-I564 HydrophobicContact CG-CG2 4.37Å; V400-I564 HydrophobicContact CB-CD1 3.99Å; V400-I564 HydrophobicContact CG1-CD1 4.04Å; W401-I564 HydrophobicContact CD2-CD1 4.42Å; W401-I564 HydrophobicContact CZ2-CD1 4.19Å; W401-I564 HydrophobicContact CZ2-CG1 3.68Å; W401-I564 VanDerWaalsContact NE1-CG1 3.32Å; I486-I564 HydrophobicContact CD1-CB 3.97Å; I486-I564 HydrophobicContact CD1-CG2 3.68Å; A560-I564 PolarHBondContact O-N 3.22Å; Y561-I564 PolarHBondContact O-N 3.04Å; I564-S566 VanDerWaalsContact C-N 3.34Å; I564-S566 PolarHBondContact O-N 3.44Å; I564-R567 CarbonylContact O-C 3.55Å; I564-R567 WeakPolarHBondContact O-CA 3.36Å; I564-R567 PolarHBondContact O-N 3.24Å; I564-S568 PolarHBondContact O-N 3.45Å; I564-I571 HydrophobicContact CG2-CD1 4.26Å; I564-I571 HydrophobicContact CG2-CG1 3.98Å; I564-L599 HydrophobicContact CG2-CD2 4.02Å
565R97.6Very high96.3Very high15 Ų1516.7 Ų16.76%0.0579%0.087CC..Hα-helixtrans-59.7-41.8176.2176.9179.569.970.39.2112Y561 N562 R567 S568 L599 R600 D603 D605Y561-R565 WeakPolarHBondContact O-CB 3.42Å; Y561-R565 PolarHBondContact O-N 3.18Å; N562-R565 PolarHBondContact O-N 3.29Å; N562-R565 PolarHBondContact OD1-NE 2.86Å; N562-R565 VanDerWaalsContact OD1-NE 3.07Å; N562-R565 PolarHBondContact OD1-NH2 2.94Å; R565-R567 PolarHBondContact O-N 3.3Å; R565-S568 WeakPolarHBondContact O-CB 3.47Å; R565-S568 PolarHBondContact O-N 3.15Å; R565-S568 VanDerWaalsContact O-N 3.17Å; R565-S568 PolarHBondContact O-OG 3.15Å; R565-L599 WeakPolarHBondContact CD-O 3.24Å; R565-L599 WeakPolarHBondContact CG-O 3.14Å; R565-R600 WeakPolarHBondContact CD-O 3.45Å; R565-D603 PolarHBondContact NH1-O 3.48Å; R565-D605 IonicContact CZ-OD1 3.29Å; R565-D605 IonicContact NH2-OD1 2.73Å; R565-D605 PolarHBondContact NH2-OD1 3.1Å
566S95.5Very high96.5Very high79 Ų7914.5 Ų14.555%0.5528%0.076SC*.Hα-helixtrans-64.7-24.3176.671.10000112.2N562 I563 I564N562-S566 PolarHBondContact O-N 3Å; I563-S566 PolarHBondContact O-N 3.05Å; I563-S566 PolarHBondContact O-OG 3.33Å; I564-S566 VanDerWaalsContact C-N 3.34Å; I564-S566 PolarHBondContact O-N 3.44Å
567R96.1Very high96.3Very high42 Ų4214.1 Ų14.116%0.1587%0.074CC..THydrogen-bonded Turntrans-101.531.4174.4-58-60.5-64.9-78.2-0.6113.4E180 V400 I564 R565 A569 L570E180-R567 IonicContact OE1-CZ 2.62Å; E180-R567 IonicContact OE1-NE 2.97Å; E180-R567 PolarHBondContact OE1-NE 2.81Å; E180-R567 IonicContact OE1-NH2 3.87Å; E180-R567 PolarHBondContact OE1-NH2 2.81Å; E180-R567 IonicContact OE2-CZ 3.98Å; E180-R567 IonicContact OE2-NE 3.79Å; E180-R567 IonicContact OE2-NH2 2.75Å; E180-R567 PolarHBondContact OE2-NH2 2.96Å; V400-R567 HydrophobicContact CG1-CB 4.5Å; V400-R567 HydrophobicContact CG1-CG 3.91Å; I564-R567 CarbonylContact O-C 3.55Å; I564-R567 WeakPolarHBondContact O-CA 3.36Å; I564-R567 PolarHBondContact O-N 3.24Å; R565-R567 PolarHBondContact O-N 3.3Å; R567-A569 PolarHBondContact O-N 3.15Å; R567-L570 HydrophobicContact CB-CB 4.45Å; R567-L570 WeakPolarHBondContact O-CB 3.44Å; R567-L570 PolarHBondContact O-N 2.85Å
568S96.6Very high96Very high0 Ų014.7 Ų14.70%08%0.077CC..Hα-helixtrans-55.5-37.6179.3-70.40000113.4H122 I564 R565 L570 I571 L572 L599H122-S568 WeakPolarHBondContact NE2-CB 3.45Å; I564-S568 PolarHBondContact O-N 3.45Å; R565-S568 WeakPolarHBondContact O-CB 3.47Å; R565-S568 PolarHBondContact O-N 3.15Å; R565-S568 VanDerWaalsContact O-N 3.17Å; R565-S568 PolarHBondContact O-OG 3.15Å; S568-L570 VanDerWaalsContact C-N 3.26Å; S568-L570 PolarHBondContact O-N 3.13Å; S568-I571 PolarHBondContact O-N 3.29Å; S568-L572 WeakPolarHBondContact O-CG 3.44Å; S568-L572 PolarHBondContact O-N 3.49Å; S568-L572 VanDerWaalsContact O-N 3.09Å; S568-L599 WeakPolarHBondContact OG-CB 3.38Å
569A96.3Very high95.7Very high2 Ų216.1 Ų16.12%0.0179%0.085CC..Hα-helixtrans-56.4-39.3176.800000112.5H122 F148 E180 F184 R567 L572 S573H122-A569 HydrophobicContact CB-CB 4.29Å; F148-A569 HydrophobicContact CE2-CB 4.48Å; F148-A569 HydrophobicContact CZ-CB 4.04Å; E180-A569 HydrophobicContact CB-CB 3.91Å; E180-A569 HydrophobicContact CG-CB 3.91Å; F184-A569 HydrophobicContact CE2-CB 4.19Å; F184-A569 WeakPolarHBondContact CE2-O 3.43Å; R567-A569 PolarHBondContact O-N 3.15Å; A569-L572 PolarHBondContact O-N 2.99Å; A569-S573 WeakPolarHBondContact O-CB 3.3Å; A569-S573 PolarHBondContact O-N 3.05Å; A569-S573 PolarHBondContact O-OG 2.57Å
570L97.5Very high94.8Very high0 Ų012 Ų120%07%0.066CC..Hα-helixtrans-63.5-52179.7-176.756.9000111.7P179 E180 L183 F214 V396 W399 V400 R567 S568 L572 S573 M574P179-L570 HydrophobicContact CB-CD1 4.28Å; P179-L570 HydrophobicContact CG-CD1 3.94Å; E180-L570 HydrophobicContact CB-CB 4.19Å; E180-L570 HydrophobicContact CB-CD1 4.32Å; L183-L570 HydrophobicContact CD1-CD1 4.16Å; F214-L570 HydrophobicContact CE1-CD1 3.9Å; F214-L570 HydrophobicContact CZ-CD1 4.26Å; V396-L570 HydrophobicContact CG1-CD2 3.6Å; V396-L570 HydrophobicContact CG1-CG 4.04Å; W399-L570 HydrophobicContact CZ3-CD2 4.03Å; V400-L570 HydrophobicContact CG2-CD2 3.93Å; R567-L570 HydrophobicContact CB-CB 4.45Å; R567-L570 WeakPolarHBondContact O-CB 3.44Å; R567-L570 PolarHBondContact O-N 2.85Å; S568-L570 VanDerWaalsContact C-N 3.26Å; S568-L570 PolarHBondContact O-N 3.13Å; L570-L572 VanDerWaalsContact C-N 3.28Å; L570-L572 PolarHBondContact O-N 3.22Å; L570-S573 PolarHBondContact O-N 2.98Å; L570-S573 PolarHBondContact O-OG 3.37Å; L570-M574 WeakPolarHBondContact O-CG 3.46Å; L570-M574 PolarHBondContact O-N 2.82Å; L570-M574 VanDerWaalsContact O-N 3.12Å
571I97Very high94Very high2 Ų212.2 Ų12.21%0.017%0.068CC..Hα-helixtrans-59.7-42.3178.9-52.7-57.9000110.7I393 M397 I564 S568 L575 V595I393-I571 HydrophobicContact CG2-CD1 3.98Å; I393-I571 HydrophobicContact CG2-CG2 4.43Å; M397-I571 HydrophobicContact CE-CD1 4.14Å; M397-I571 HydrophobicContact CG-CD1 4.18Å; I564-I571 HydrophobicContact CG2-CD1 4.26Å; I564-I571 HydrophobicContact CG2-CG1 3.98Å; S568-I571 PolarHBondContact O-N 3.29Å; I571-L575 HydrophobicContact CG2-CD1 4.18Å; I571-L575 WeakPolarHBondContact O-CG 3.38Å; I571-L575 PolarHBondContact O-N 3.21Å; I571-V595 HydrophobicContact CG2-CG1 3.97Å
572L96.4Very high93.1Very high1 Ų115.5 Ų15.51%0.0058%0.084CC..Hα-helixtrans-67.9-43.2179.2-70.5179.3000113H122 F184 S568 A569 L570 M574 L575 E576 L592 V595 L596H122-L572 HydrophobicContact CB-CD1 3.88Å; F184-L572 HydrophobicContact CZ-CB 4.02Å; S568-L572 WeakPolarHBondContact O-CG 3.44Å; S568-L572 PolarHBondContact O-N 3.49Å; S568-L572 VanDerWaalsContact O-N 3.09Å; A569-L572 PolarHBondContact O-N 2.99Å; L570-L572 VanDerWaalsContact C-N 3.28Å; L570-L572 PolarHBondContact O-N 3.22Å; L572-M574 VanDerWaalsContact C-N 3.28Å; L572-M574 PolarHBondContact O-N 3.42Å; L572-L575 PolarHBondContact O-N 3.21Å; L572-E576 WeakPolarHBondContact O-CB 3.44Å; L572-E576 PolarHBondContact O-N 3.23Å; L572-L592 HydrophobicContact CD2-CB 4.25Å; L572-L592 HydrophobicContact CD2-CD2 4.32Å; L572-V595 HydrophobicContact CD2-CB 4.48Å; L572-L596 HydrophobicContact CD1-CB 4.34Å; L572-L596 HydrophobicContact CD1-CD1 4.03Å; L572-L596 HydrophobicContact CD2-CB 4.42Å
573S95.8Very high92.4Very high0 Ų014.8 Ų14.80%08%0.08CC..Hα-helixtrans-61-38.6178.469.50000112L183 A569 L570 L577L183-S573 WeakPolarHBondContact CD1-OG 3.4Å; A569-S573 WeakPolarHBondContact O-CB 3.3Å; A569-S573 PolarHBondContact O-N 3.05Å; A569-S573 PolarHBondContact O-OG 2.57Å; L570-S573 PolarHBondContact O-N 2.98Å; L570-S573 PolarHBondContact O-OG 3.37Å; S573-L577 PolarHBondContact O-N 2.86Å
574M95.5Very high91.4Very high0 Ų017.3 Ų17.30%010%0.097CC..Hα-helixtrans-65.4-41.6176.4-70-179.475.100112.6L183 F214 Q217 Q392 I393 V396 L570 L572 L578L183-M574 HydrophobicContact CD1-CG 3.96Å; F214-M574 HydrophobicContact CE1-SD 4.32Å; Q217-M574 HydrophobicContact CG-CB 4.2Å; Q217-M574 HydrophobicContact CG-CG 4.36Å; Q392-M574 HydrophobicContact CG-CE 3.93Å; I393-M574 HydrophobicContact CG1-CE 4.18Å; V396-M574 HydrophobicContact CB-CE 4.37Å; V396-M574 HydrophobicContact CB-SD 4.05Å; V396-M574 HydrophobicContact CG1-SD 3.92Å; V396-M574 HydrophobicContact CG2-CE 3.66Å; V396-M574 HydrophobicContact CG2-SD 3.79Å; L570-M574 WeakPolarHBondContact O-CG 3.46Å; L570-M574 PolarHBondContact O-N 2.82Å; L570-M574 VanDerWaalsContact O-N 3.12Å; L572-M574 VanDerWaalsContact C-N 3.28Å; L572-M574 PolarHBondContact O-N 3.42Å; M574-L578 WeakPolarHBondContact O-CD1 3.29Å
575L94.3Very high90.5Very high0 Ų019.1 Ų19.10%011%0.106CC..Hα-helixtrans-72.2-38.3178.5-70172.5000112L389 I393 M514 I571 L572 L577 L578 L579 L586 L592 V595L389-L575 HydrophobicContact CD1-CD2 4.34Å; L389-L575 HydrophobicContact CD2-CD2 4.23Å; I393-L575 HydrophobicContact CD1-CD2 3.56Å; I393-L575 HydrophobicContact CD1-CG 4.08Å; M514-L575 HydrophobicContact CE-CD1 4.23Å; M514-L575 HydrophobicContact CE-CD2 3.5Å; M514-L575 VanDerWaalsContact CE-CD2 3.5Å; M514-L575 HydrophobicContact CE-CG 4.49Å; I571-L575 HydrophobicContact CG2-CD1 4.18Å; I571-L575 WeakPolarHBondContact O-CG 3.38Å; I571-L575 PolarHBondContact O-N 3.21Å; L572-L575 PolarHBondContact O-N 3.21Å; L575-L577 PolarHBondContact O-N 2.84Å; L575-L578 PolarHBondContact O-N 3.09Å; L575-L578 VanDerWaalsContact O-N 3.08Å; L575-L579 PolarHBondContact O-N 2.89Å; L575-L586 HydrophobicContact CD2-CD2 4.22Å; L575-L592 HydrophobicContact CB-CD2 3.3Å; L575-L592 HydrophobicContact CD1-CD2 4.27Å; L575-L592 HydrophobicContact CG-CD2 4.43Å; L575-V595 HydrophobicContact CD1-CB 4.24Å; L575-V595 HydrophobicContact CD1-CG1 4.17Å; L575-V595 HydrophobicContact CD1-CG2 3.84Å
576E93Very high89.8Confident8 Ų818.5 Ų18.54%0.03710%0.104CC..Hα-helixtrans-60.9-43.2-178.9-174.4173.6147.800111.8C123 Y125 F184 T187 L572 L578 L579 L592C123-E576 PolarHBondContact SG-OE2 3.38Å; Y125-E576 HydrophobicContact CE2-CG 4.25Å; F184-E576 WeakPolarHBondContact CD1-OE2 3.4Å; F184-E576 WeakPolarHBondContact CE1-OE2 3.37Å; T187-E576 HydrophobicContact CG2-CB 4.46Å; T187-E576 HydrophobicContact CG2-CG 3.96Å; T187-E576 WeakPolarHBondContact CG2-OE1 3.5Å; L572-E576 WeakPolarHBondContact O-CB 3.44Å; L572-E576 PolarHBondContact O-N 3.23Å; E576-L578 PolarHBondContact O-N 3.38Å; E576-L579 HydrophobicContact CG-CD1 4.33Å; E576-L579 WeakPolarHBondContact O-CB 3.48Å; E576-L579 PolarHBondContact O-N 2.96Å; E576-L592 HydrophobicContact CB-CD1 4.13Å; E576-L592 HydrophobicContact CG-CD1 4.33Å
577L91.9Very high89.1Confident2 Ų221.4 Ų21.41%0.0111%0.106CC..Hα-helixtrans-62.2-26.7176.8-78.4168.9000113.2L183 L186 T187 Q217 A221 S573 L575 S580L183-L577 HydrophobicContact CB-CD1 4.07Å; L183-L577 HydrophobicContact CD2-CD1 3.74Å; L183-L577 HydrophobicContact CG-CD1 4.49Å; L186-L577 HydrophobicContact CB-CD2 4.46Å; T187-L577 HydrophobicContact CG2-CD2 3.82Å; T187-L577 HydrophobicContact CG2-CG 3.95Å; Q217-L577 HydrophobicContact CB-CB 4.24Å; Q217-L577 HydrophobicContact CB-CD1 3.71Å; Q217-L577 HydrophobicContact CG-CB 4.15Å; Q217-L577 HydrophobicContact CG-CD1 4.12Å; A221-L577 HydrophobicContact CB-CD2 4.1Å; S573-L577 PolarHBondContact O-N 2.86Å; L575-L577 PolarHBondContact O-N 2.84Å; L577-S580 PolarHBondContact O-OG 3.43Å; L577-S580 VanDerWaalsContact O-OG 3.09Å
578L89.4Confident88.5Confident13 Ų1322.6 Ų22.67%0.06812%0.116CC..Hα-helixtrans-88.8-5.6-179.3-72.6164.1000114.2Q220 L389 M574 L575 E576 S580 A581 L586Q220-L578 HydrophobicContact CG-CD2 3.65Å; Q220-L578 HydrophobicContact CG-CG 4.48Å; L389-L578 HydrophobicContact CD1-CD1 3.11Å; L389-L578 HydrophobicContact CD2-CD1 3.98Å; L389-L578 HydrophobicContact CG-CD1 4.03Å; M574-L578 WeakPolarHBondContact O-CD1 3.29Å; L575-L578 PolarHBondContact O-N 3.09Å; L575-L578 VanDerWaalsContact O-N 3.08Å; E576-L578 PolarHBondContact O-N 3.38Å; L578-S580 PolarHBondContact O-N 3.45Å; L578-S580 VanDerWaalsContact O-N 3.15Å; L578-A581 HydrophobicContact CD2-CB 4.03Å; L578-A581 VanDerWaalsContact O-CB 3.23Å; L578-A581 WeakPolarHBondContact O-CB 3.47Å; L578-A581 PolarHBondContact O-N 2.99Å; L578-L586 HydrophobicContact CB-CD2 3.75Å
579L87.3Confident88Confident34 Ų3428.3 Ų28.318%0.17814%0.141CC..G310 helixtrans-57.9-26.8170.1-69.7173.6000112L575 E576 A581 L586 L592L575-L579 PolarHBondContact O-N 2.89Å; E576-L579 HydrophobicContact CG-CD1 4.33Å; E576-L579 WeakPolarHBondContact O-CB 3.48Å; E576-L579 PolarHBondContact O-N 2.96Å; L579-A581 VanDerWaalsContact C-N 3.32Å; L579-L586 HydrophobicContact CD2-CD1 3.71Å; L579-L586 HydrophobicContact CD2-CG 3.91Å; L579-L592 HydrophobicContact CD1-CD1 3.82Å; L579-L592 HydrophobicContact CD1-CG 4.44Å
580S78.4Confident87.6Confident10 Ų1031.1 Ų31.17%0.0716%0.161CC..G310 helixtrans-82.9-2.7176.7720000114.6K223 L577 L578 E582K223-S580 PolarHBondContact NZ-O 3.17Å; L577-S580 PolarHBondContact O-OG 3.43Å; L577-S580 VanDerWaalsContact O-OG 3.09Å; L578-S580 PolarHBondContact O-N 3.45Å; L578-S580 VanDerWaalsContact O-N 3.15Å; S580-E582 VanDerWaalsContact C-N 3.33Å; S580-E582 PolarHBondContact O-N 2.89Å
581A81.4Confident87.2Confident6 Ų631.7 Ų31.75%0.0516%0.164CC..G310 helixtrans-86.73-174.600000114.3Q220 R385 L578 L579 L583Q220-A581 HydrophobicContact CG-CB 4.39Å; R385-A581 PolarHBondContact NH1-O 3.32Å; L578-A581 HydrophobicContact CD2-CB 4.03Å; L578-A581 VanDerWaalsContact O-CB 3.23Å; L578-A581 WeakPolarHBondContact O-CB 3.47Å; L578-A581 PolarHBondContact O-N 2.99Å; L579-A581 VanDerWaalsContact C-N 3.32Å; A581-L583 VanDerWaalsContact C-N 3.26Å; A581-L583 HydrophobicContact CB-CD1 4.5Å; A581-L583 HydrophobicContact CB-CG 4.24Å; A581-L583 PolarHBondContact O-N 2.84Å
582E80.6Confident86.9Confident68 Ų6831.6 Ų31.632%0.31816%0.163SC..  trans52.741.4-177.2-63.2-177.5-140.600112.9R261 Y262 R385 S580R261-E582 IonicContact CZ-OE2 2.7Å; R261-E582 IonicContact NE-OE2 3.24Å; R261-E582 IonicContact NH2-OE2 2.93Å; R261-E582 PolarHBondContact NH2-OE2 2.88Å; Y262-E582 WeakPolarHBondContact CD2-OE1 3.39Å; Y262-E582 WeakPolarHBondContact CE2-OE1 3.39Å; R385-E582 PolarHBondContact NH2-O 3.36Å; S580-E582 VanDerWaalsContact C-N 3.33Å; S580-E582 PolarHBondContact O-N 2.89Å
583L83.2Confident86.7Confident8 Ų834.5 Ų34.54%0.04218%0.177CC..BIsolated β-bridgetrans-78.9124.1173.2-70.8174.6000109.4R385 L389 A581 E585 L586R385-L583 HydrophobicContact CB-CD2 3.61Å; L389-L583 HydrophobicContact CD2-CD1 3.81Å; A581-L583 VanDerWaalsContact C-N 3.26Å; A581-L583 HydrophobicContact CB-CD1 4.5Å; A581-L583 HydrophobicContact CB-CG 4.24Å; A581-L583 PolarHBondContact O-N 2.84Å; L583-E585 PolarHBondContact O-N 3.04Å; L583-E585 VanDerWaalsContact O-N 3.09Å; L583-L586 HydrophobicContact CB-CB 4.17Å; L583-L586 CarbonylContact O-C 3.51Å; L583-L586 PolarHBondContact O-N 3.4Å; L583-L586 VanDerWaalsContact O-N 3.16Å; L583-L586 VanDerWaalsContact O-O 3.06Å
584P78Confident86.4Confident71 Ų7137.4 Ų37.446%0.46119%0.189SC..THydrogen-bonded Turntrans-58.1-26.9-177.8-23.732.5000114.3K587P584-K587 WeakPolarHBondContact O-CE 3.41Å; P584-K587 WeakPolarHBondContact O-CG 3.48Å
585E77.9Confident86.3Confident40 Ų4037.4 Ų37.419%0.18719%0.189CC..THydrogen-bonded Turntrans-96.1-7.8-176.4-57.376.3-162.600114I513 N516 L583I513-E585 HydrophobicContact CD1-CB 4.08Å; I513-E585 HydrophobicContact CG1-CB 3.65Å; I513-E585 HydrophobicContact CG1-CG 4.43Å; N516-E585 PolarHBondContact ND2-O 2.8Å; L583-E585 PolarHBondContact O-N 3.04Å; L583-E585 VanDerWaalsContact O-N 3.09Å
586L84.6Confident86.3Confident2 Ų238.1 Ų38.11%0.0119%0.193CC..BIsolated β-bridgetrans-129.589.4176.9176.162000108.2L389 M514 L575 L578 L579 L583 D591L389-L586 HydrophobicContact CD2-CD2 4.14Å; M514-L586 HydrophobicContact CE-CB 4.45Å; M514-L586 HydrophobicContact CE-CD1 3.88Å; M514-L586 HydrophobicContact SD-CB 4.23Å; M514-L586 HydrophobicContact SD-CD1 3.85Å; L575-L586 HydrophobicContact CD2-CD2 4.22Å; L578-L586 HydrophobicContact CB-CD2 3.75Å; L579-L586 HydrophobicContact CD2-CD1 3.71Å; L579-L586 HydrophobicContact CD2-CG 3.91Å; L583-L586 HydrophobicContact CB-CB 4.17Å; L583-L586 CarbonylContact O-C 3.51Å; L583-L586 PolarHBondContact O-N 3.4Å; L583-L586 VanDerWaalsContact O-N 3.16Å; L583-L586 VanDerWaalsContact O-O 3.06Å; L586-D591 HydrophobicContact CD1-CB 3.77Å
587K79.2Confident86.3Confident140 Ų14042 Ų4261%0.60921%0.214SC*.  trans-102.3-45.1-167.6-61.9-177.8-173.6177.60112.9P584 D591P584-K587 WeakPolarHBondContact O-CE 3.41Å; P584-K587 WeakPolarHBondContact O-CG 3.48Å; K587-D591 PolarHBondContact N-OD2 3.16Å
588D84Confident86.4Confident68 Ų6843 Ų4336%0.36422%0.219SC..SBendtrans-152.2-178.4-170.565.443.7000112.4S590 D591D588-S590 PolarHBondContact O-N 3.32Å; D588-S590 VanDerWaalsContact O-N 3.12Å; D588-S590 WeakPolarHBondContact OD1-CA 3.08Å; D588-S590 WeakPolarHBondContact OD1-CB 3.35Å; D588-S590 PolarHBondContact OD1-N 3.12Å; D588-S590 PolarHBondContact OD1-OG 2.95Å; D588-D591 PolarHBondContact N-OD2 3.19Å; D588-D591 WeakPolarHBondContact O-CB 3.48Å; D588-D591 PolarHBondContact O-N 2.77Å; D588-D591 VanDerWaalsContact O-N 3.15Å
589F86.4Confident86.7Confident119 Ų11942.3 Ų42.352%0.52222%0.216SC..Hα-helixtrans-64.2-13.8-177.665.2-91.1000113.8Y125 D591 L592 Q593Y125-F589 HydrophobicContact CD2-CB 4.41Å; Y125-F589 HydrophobicContact CG-CB 4.31Å; F589-D591 VanDerWaalsContact C-N 3.31Å; F589-L592 WeakPolarHBondContact O-CB 3.35Å; F589-L592 PolarHBondContact O-N 3.15Å; F589-Q593 PolarHBondContact O-N 3.08Å
590S88.2Confident87Confident62 Ų6245 Ų4543%0.43422%0.224SC..Hα-helixtrans-69.3-31.2174.6740000112.1D588 Q593 F594D588-S590 PolarHBondContact O-N 3.32Å; D588-S590 VanDerWaalsContact O-N 3.12Å; D588-S590 WeakPolarHBondContact OD1-CA 3.08Å; D588-S590 WeakPolarHBondContact OD1-CB 3.35Å; D588-S590 PolarHBondContact OD1-N 3.12Å; D588-S590 PolarHBondContact OD1-OG 2.95Å; S590-Q593 WeakPolarHBondContact O-CB 3.31Å; S590-Q593 PolarHBondContact O-N 3.37Å; S590-F594 PolarHBondContact O-N 2.98Å
591D88.2Confident87.7Confident12 Ų1245.3 Ų45.36%0.06423%0.225CC..Hα-helixtrans-68.2-39.3173.7-62.8-50.8000110.9M514 L586 K587 D588 F589 Q593 F594 V595M514-D591 HydrophobicContact SD-CB 3.82Å; L586-D591 HydrophobicContact CD1-CB 3.77Å; K587-D591 PolarHBondContact N-OD2 3.16Å; D588-D591 PolarHBondContact N-OD2 3.19Å; D588-D591 WeakPolarHBondContact O-CB 3.48Å; D588-D591 PolarHBondContact O-N 2.77Å; D588-D591 VanDerWaalsContact O-N 3.15Å; F589-D591 VanDerWaalsContact C-N 3.31Å; D591-Q593 VanDerWaalsContact C-N 3.35Å; D591-F594 WeakPolarHBondContact O-CB 3.45Å; D591-F594 PolarHBondContact O-N 3.33Å; D591-V595 PolarHBondContact O-N 3.11Å
592L91.5Very high88.2Confident0 Ų049.8 Ų49.80%025%0.249CC..Hα-helixtrans-61.9-43.4170.9-63.6179000111.4F126 L572 L575 E576 L579 F589 F594 V595 L596F126-L592 HydrophobicContact CZ-CB 3.83Å; L572-L592 HydrophobicContact CD2-CB 4.25Å; L572-L592 HydrophobicContact CD2-CD2 4.32Å; L575-L592 HydrophobicContact CB-CD2 3.3Å; L575-L592 HydrophobicContact CD1-CD2 4.27Å; L575-L592 HydrophobicContact CG-CD2 4.43Å; E576-L592 HydrophobicContact CB-CD1 4.13Å; E576-L592 HydrophobicContact CG-CD1 4.33Å; L579-L592 HydrophobicContact CD1-CD1 3.82Å; L579-L592 HydrophobicContact CD1-CG 4.44Å; F589-L592 WeakPolarHBondContact O-CB 3.35Å; F589-L592 PolarHBondContact O-N 3.15Å; L592-F594 VanDerWaalsContact C-N 3.28Å; L592-F594 PolarHBondContact O-N 3.46Å; L592-V595 PolarHBondContact O-N 3.08Å; L592-L596 PolarHBondContact O-N 2.85Å
593Q91.4Very high88.8Confident61 Ų6147.8 Ų47.829%0.28524%0.24SC..Hα-helixtrans-63.6-35.5178.5-173.265.666.700111.5F126 F589 S590 D591 L596 N597F126-Q593 VanDerWaalsContact CD1-OE1 3.25Å; F126-Q593 HydrophobicContact CE1-CB 3.95Å; F126-Q593 VanDerWaalsContact CE1-OE1 3.3Å; F126-Q593 HydrophobicContact CZ-CB 4.02Å; F589-Q593 PolarHBondContact O-N 3.08Å; S590-Q593 WeakPolarHBondContact O-CB 3.31Å; S590-Q593 PolarHBondContact O-N 3.37Å; D591-Q593 VanDerWaalsContact C-N 3.35Å; Q593-L596 PolarHBondContact O-N 2.85Å; Q593-N597 PolarHBondContact NE2-OD1 3.21Å; Q593-N597 VanDerWaalsContact O-CB 3.32Å; Q593-N597 WeakPolarHBondContact O-CB 3.31Å; Q593-N597 PolarHBondContact O-N 2.85Å; Q593-N597 PolarHBondContact O-ND2 2.78Å; Q593-N597 PolarHBondContact O-OD1 3.46Å
594F91.1Very high89.2Confident61 Ų6150.7 Ų50.727%0.26826%0.258SS..Hα-helixtrans-58.8-48.5173.7173.8-87.3000111.3M514 S590 D591 L592 N597 N598M514-F594 HydrophobicContact CB-CD1 4.12Å; M514-F594 HydrophobicContact CB-CE1 4.5Å; S590-F594 PolarHBondContact O-N 2.98Å; D591-F594 WeakPolarHBondContact O-CB 3.45Å; D591-F594 PolarHBondContact O-N 3.33Å; L592-F594 VanDerWaalsContact C-N 3.28Å; L592-F594 PolarHBondContact O-N 3.46Å; F594-N597 PolarHBondContact O-N 2.87Å; F594-N598 WeakPolarHBondContact CE1-ND2 3.42Å; F594-N598 WeakPolarHBondContact CZ-ND2 3.42Å; F594-N598 PolarHBondContact O-N 3.12Å; F594-N598 VanDerWaalsContact O-N 3.12Å
595V92.6Very high89.8Confident0 Ų051 Ų510%026%0.256CS..Hα-helixtrans-64.9-43.6178.7177.50000111I486 M514 I571 L572 L575 D591 L592 N597 N598 L599I486-V595 HydrophobicContact CG2-CG1 4.06Å; M514-V595 HydrophobicContact CG-CG2 4.35Å; I571-V595 HydrophobicContact CG2-CG1 3.97Å; L572-V595 HydrophobicContact CD2-CB 4.48Å; L575-V595 HydrophobicContact CD1-CB 4.24Å; L575-V595 HydrophobicContact CD1-CG1 4.17Å; L575-V595 HydrophobicContact CD1-CG2 3.84Å; D591-V595 PolarHBondContact O-N 3.11Å; L592-V595 PolarHBondContact O-N 3.08Å; V595-N597 VanDerWaalsContact C-N 3.31Å; V595-N597 PolarHBondContact O-N 3.04Å; V595-N598 PolarHBondContact O-N 3.35Å; V595-N598 VanDerWaalsContact O-N 3.12Å; V595-L599 HydrophobicContact CG1-CD1 3.8Å; V595-L599 HydrophobicContact CG1-CG 4.45Å; V595-L599 WeakPolarHBondContact O-CG 3.23Å; V595-L599 PolarHBondContact O-N 3Å
596L94Very high90.3Very high15 Ų1549.3 Ų49.38%0.07925%0.248CC..Hα-helixtrans-59.1-40.9175.3179.961.2000112.2F126 L572 L592 Q593 N598 L599 R600 P601F126-L596 HydrophobicContact CD2-CD2 3.48Å; F126-L596 VanDerWaalsContact CD2-CD2 3.48Å; F126-L596 HydrophobicContact CE2-CB 4.43Å; F126-L596 HydrophobicContact CE2-CD2 3.44Å; F126-L596 VanDerWaalsContact CE2-CD2 3.44Å; F126-L596 HydrophobicContact CG-CD2 4.48Å; F126-L596 HydrophobicContact CZ-CD2 4.42Å; L572-L596 HydrophobicContact CD1-CB 4.34Å; L572-L596 HydrophobicContact CD1-CD1 4.03Å; L572-L596 HydrophobicContact CD2-CB 4.42Å; L592-L596 PolarHBondContact O-N 2.85Å; Q593-L596 PolarHBondContact O-N 2.85Å; L596-N598 VanDerWaalsContact C-N 3.28Å; L596-N598 PolarHBondContact O-N 3.15Å; L596-L599 PolarHBondContact O-N 3.39Å; L596-R600 PolarHBondContact O-N 3.27Å; L596-P601 HydrophobicContact CD1-CG 3.42Å; L596-P601 VanDerWaalsContact CD1-CG 3.42Å
597N93.3Very high90.7Very high90 Ų9051.7 Ų51.748%0.48126%0.259SS..Hα-helixtrans-65.5-31.8177.4-71.1-17000112.6Q593 F594 V595 R600Q593-N597 PolarHBondContact NE2-OD1 3.21Å; Q593-N597 VanDerWaalsContact O-CB 3.32Å; Q593-N597 WeakPolarHBondContact O-CB 3.31Å; Q593-N597 PolarHBondContact O-N 2.85Å; Q593-N597 PolarHBondContact O-ND2 2.78Å; Q593-N597 PolarHBondContact O-OD1 3.46Å; F594-N597 PolarHBondContact O-N 2.87Å; V595-N597 VanDerWaalsContact C-N 3.31Å; V595-N597 PolarHBondContact O-N 3.04Å; N597-R600 WeakPolarHBondContact O-CG 3.08Å
598N93.8Very high91.3Very high22 Ų2245 Ų4512%0.11823%0.23CC..Hα-helixtrans-77-32.5174.3-70.1-19000112.2F485 I486 Y561 F594 V595 L596F485-N598 HydrophobicContact CE1-CB 4.07Å; F485-N598 WeakPolarHBondContact CE1-O 3.22Å; F485-N598 HydrophobicContact CZ-CB 4.37Å; F485-N598 PolarHBondContact O-ND2 2.9Å; I486-N598 PolarHBondContact O-ND2 2.85Å; Y561-N598 WeakPolarHBondContact CE2-O 3.4Å; Y561-N598 PolarHBondContact OH-O 3.3Å; F594-N598 WeakPolarHBondContact CE1-ND2 3.42Å; F594-N598 WeakPolarHBondContact CZ-ND2 3.42Å; F594-N598 PolarHBondContact O-N 3.12Å; F594-N598 VanDerWaalsContact O-N 3.12Å; V595-N598 PolarHBondContact O-N 3.35Å; V595-N598 VanDerWaalsContact O-N 3.12Å; L596-N598 VanDerWaalsContact C-N 3.28Å; L596-N598 PolarHBondContact O-N 3.15Å
599L94.9Very high91.6Very high0 Ų042.5 Ų42.50%022%0.218CC..Hα-helixtrans-75.1-37.4177.9-73162.5000112.3I486 Y561 I564 R565 S568 V595 L596I486-L599 HydrophobicContact CD1-CD2 3.8Å; I486-L599 HydrophobicContact CG1-CD2 4.02Å; I486-L599 HydrophobicContact CG2-CD1 4.45Å; I486-L599 HydrophobicContact CG2-CD2 3.83Å; I486-L599 HydrophobicContact CG2-CG 4.03Å; Y561-L599 PolarHBondContact OH-O 3.31Å; I564-L599 HydrophobicContact CG2-CD2 4.02Å; R565-L599 WeakPolarHBondContact CD-O 3.24Å; R565-L599 WeakPolarHBondContact CG-O 3.14Å; S568-L599 WeakPolarHBondContact OG-CB 3.38Å; V595-L599 HydrophobicContact CG1-CD1 3.8Å; V595-L599 HydrophobicContact CG1-CG 4.45Å; V595-L599 WeakPolarHBondContact O-CG 3.23Å; V595-L599 PolarHBondContact O-N 3Å; L596-L599 PolarHBondContact O-N 3.39Å
600R94.6Very high91.8Very high90 Ų9038.5 Ų38.534%0.3420%0.204SC..  trans54.356.4178.6-52.9176.657.873.910.3113.4R565 L596 N597 N602 D603R565-R600 WeakPolarHBondContact CD-O 3.45Å; L596-R600 PolarHBondContact O-N 3.27Å; N597-R600 WeakPolarHBondContact O-CG 3.08Å; R600-N602 PolarHBondContact O-N 2.93Å; R600-D603 HydrophobicContact CB-CB 4.38Å; R600-D603 IonicContact CZ-OD1 2.81Å; R600-D603 IonicContact CZ-OD2 3.25Å; R600-D603 IonicContact NE-OD1 2.81Å; R600-D603 IonicContact NE-OD2 3.14Å; R600-D603 PolarHBondContact NE-OD2 3.28Å; R600-D603 VanDerWaalsContact NH2-CG 3.28Å; R600-D603 IonicContact NH2-OD1 2.67Å; R600-D603 PolarHBondContact NH2-OD1 2.9Å; R600-D603 IonicContact NH2-OD2 2.65Å; R600-D603 PolarHBondContact NH2-OD2 2.99Å; R600-D603 WeakPolarHBondContact O-CB 3.44Å; R600-D603 PolarHBondContact O-N 2.78Å
601P93.6Very high92Very high16 Ų1638 Ų3810%0.10419%0.193CC..THydrogen-bonded Turntrans-63.7-15.5-175.426.6-35.8000114.8K120 L596 D603K120-P601 WeakPolarHBondContact O-CG 3.49Å; L596-P601 HydrophobicContact CD1-CG 3.42Å; L596-P601 VanDerWaalsContact CD1-CG 3.42Å; P601-D603 VanDerWaalsContact C-N 3.35Å
602N91.4Very high92.2Very high101 Ų10137.4 Ų37.454%0.5419%0.19SC..THydrogen-bonded Turntrans-77.4-19175.1-67.7-41.8000113.9K120 R600K120-N602 VanDerWaalsContact CB-OD1 3.27Å; K120-N602 WeakPolarHBondContact CB-OD1 3.46Å; K120-N602 WeakPolarHBondContact CD-OD1 3.12Å; R600-N602 PolarHBondContact O-N 2.93Å
603D92.9Very high92Very high25 Ų2537.5 Ų37.513%0.13419%0.191CC..SBendtrans-72.4145.3177.3-7417.8000110.1R565 R600 P601 E607 A608R565-D603 PolarHBondContact NH1-O 3.48Å; R600-D603 HydrophobicContact CB-CB 4.38Å; R600-D603 IonicContact CZ-OD1 2.81Å; R600-D603 IonicContact CZ-OD2 3.25Å; R600-D603 IonicContact NE-OD1 2.81Å; R600-D603 IonicContact NE-OD2 3.14Å; R600-D603 PolarHBondContact NE-OD2 3.28Å; R600-D603 VanDerWaalsContact NH2-CG 3.28Å; R600-D603 IonicContact NH2-OD1 2.67Å; R600-D603 PolarHBondContact NH2-OD1 2.9Å; R600-D603 IonicContact NH2-OD2 2.65Å; R600-D603 PolarHBondContact NH2-OD2 2.99Å; R600-D603 WeakPolarHBondContact O-CB 3.44Å; R600-D603 PolarHBondContact O-N 2.78Å; P601-D603 VanDerWaalsContact C-N 3.35Å; D603-E607 HydrophobicContact CB-CB 3.95Å; D603-A608 HydrophobicContact CB-CB 4.37Å
604T91.3Very high91.9Very high69 Ų6939.7 Ų39.742%0.42320%0.199SC..  trans-68.8161.7164.9610000111L606 E607 A608T604-L606 PolarHBondContact O-N 2.97Å; T604-L606 VanDerWaalsContact O-N 3.14Å; T604-E607 PolarHBondContact N-OE2 3.43Å; T604-E607 PolarHBondContact O-N 2.91Å; T604-E607 VanDerWaalsContact O-N 3.11Å; T604-E607 VanDerWaalsContact OG1-CD 3.23Å; T604-E607 VanDerWaalsContact OG1-CG 3.26Å; T604-E607 WeakPolarHBondContact OG1-CG 3.2Å; T604-E607 PolarHBondContact OG1-N 2.73Å; T604-E607 PolarHBondContact OG1-OE2 2.54Å; T604-A608 WeakPolarHBondContact O-CB 3.41Å; T604-A608 PolarHBondContact O-N 2.81Å
605D90.9Very high91.7Very high77 Ų7738.7 Ų38.741%0.41220%0.195SC..Hα-helixtrans-55.2-34.8177.7-61.73.5000112.8N562 R565 T609N562-D605 PolarHBondContact ND2-O 3.12Å; R565-D605 IonicContact CZ-OD1 3.29Å; R565-D605 IonicContact NH2-OD1 2.73Å; R565-D605 PolarHBondContact NH2-OD1 3.1Å; D605-T609 VanDerWaalsContact O-CB 3.29Å; D605-T609 WeakPolarHBondContact O-CB 3.5Å; D605-T609 PolarHBondContact O-N 3.42Å; D605-T609 PolarHBondContact O-OG1 3.38Å
606L89.1Confident91.4Very high6 Ų638.8 Ų38.83%0.03120%0.195CC..Hα-helixtrans-72.8-42.4178.5-55.3-176.8000112T604 T609 S610 R771 S773 L782 L831T604-L606 PolarHBondContact O-N 2.97Å; T604-L606 VanDerWaalsContact O-N 3.14Å; L606-T609 PolarHBondContact O-N 2.86Å; L606-S610 WeakPolarHBondContact O-CB 3.42Å; L606-S610 PolarHBondContact O-N 3.16Å; L606-R771 HydrophobicContact CD2-CB 4.39Å; L606-R771 HydrophobicContact CD2-CG 4.03Å; L606-S773 VanDerWaalsContact CD1-OG 3.25Å; L606-S773 WeakPolarHBondContact CD1-OG 3.24Å; L606-L782 HydrophobicContact CD1-CB 4.46Å; L606-L782 HydrophobicContact CD2-CB 4Å; L606-L782 HydrophobicContact CD2-CD2 3.71Å; L606-L782 HydrophobicContact CD2-CG 4.43Å; L606-L831 HydrophobicContact CB-CD1 3.88Å; L606-L831 HydrophobicContact CB-CD2 4.15Å; L606-L831 HydrophobicContact CD1-CD1 4.04Å
607E91.6Very high90.9Very high51 Ų5141.5 Ų41.524%0.23821%0.206CC..Hα-helixtrans-63.6-45.2176.2-73.3162.6160.500110.4D603 T604 S610 Y611 K778 L831D603-E607 HydrophobicContact CB-CB 3.95Å; T604-E607 PolarHBondContact N-OE2 3.43Å; T604-E607 PolarHBondContact O-N 2.91Å; T604-E607 VanDerWaalsContact O-N 3.11Å; T604-E607 VanDerWaalsContact OG1-CD 3.23Å; T604-E607 VanDerWaalsContact OG1-CG 3.26Å; T604-E607 WeakPolarHBondContact OG1-CG 3.2Å; T604-E607 PolarHBondContact OG1-N 2.73Å; T604-E607 PolarHBondContact OG1-OE2 2.54Å; E607-S610 PolarHBondContact O-N 3.38Å; E607-Y611 WeakPolarHBondContact O-CB 3.45Å; E607-Y611 PolarHBondContact O-N 3.15Å; E607-K778 IonicContact OE1-NZ 2.82Å; E607-K778 PolarHBondContact OE1-NZ 3.47Å; E607-L831 HydrophobicContact CB-CD2 4.35Å; E607-L831 HydrophobicContact CG-CD2 3.48Å; E607-L831 VanDerWaalsContact CG-CD2 3.48Å
608A93.1Very high90.4Very high0 Ų040.5 Ų40.50%020%0.199CC..Hα-helixtrans-60.8-43.7175.500000112.7Y561 N562 D603 T604 Y611 F612Y561-A608 HydrophobicContact CD1-CB 4.32Å; Y561-A608 HydrophobicContact CE1-CB 3.84Å; N562-A608 WeakPolarHBondContact OD1-CB 3.35Å; D603-A608 HydrophobicContact CB-CB 4.37Å; T604-A608 WeakPolarHBondContact O-CB 3.41Å; T604-A608 PolarHBondContact O-N 2.81Å; A608-Y611 PolarHBondContact O-N 3.39Å; A608-F612 PolarHBondContact O-N 2.85Å
609T90.7Very high89.8Confident16 Ų1639.4 Ų39.410%0.09819%0.193CC..Hα-helixtrans-60.8-46.3175.8-63.80000111.8C558 N562 D605 L606 T613 L782 N829C558-T609 HydrophobicContact CB-CG2 3.93Å; C558-T609 PolarHBondContact SG-O 3.3Å; N562-T609 PolarHBondContact ND2-OG1 3.31Å; N562-T609 VanDerWaalsContact ND2-OG1 3.1Å; D605-T609 VanDerWaalsContact O-CB 3.29Å; D605-T609 WeakPolarHBondContact O-CB 3.5Å; D605-T609 PolarHBondContact O-N 3.42Å; D605-T609 PolarHBondContact O-OG1 3.38Å; L606-T609 PolarHBondContact O-N 2.86Å; T609-T613 WeakPolarHBondContact O-CB 3.46Å; T609-T613 PolarHBondContact O-N 3.05Å; T609-T613 PolarHBondContact O-OG1 3.49Å; T609-L782 HydrophobicContact CG2-CD2 4.01Å; T609-N829 HydrophobicContact CG2-CB 4.24Å
610S88.9Confident88.7Confident34 Ų3441.6 Ų41.624%0.23820%0.204CC..Hα-helixtrans-62.5-44.6176.9173.90000111.6L606 E607 K614 N829L606-S610 WeakPolarHBondContact O-CB 3.42Å; L606-S610 PolarHBondContact O-N 3.16Å; E607-S610 PolarHBondContact O-N 3.38Å; S610-K614 PolarHBondContact O-N 3.44Å; S610-K614 VanDerWaalsContact O-N 3.08Å; S610-N829 VanDerWaalsContact CA-O 3.24Å; S610-N829 WeakPolarHBondContact CA-O 3.45Å; S610-N829 WeakPolarHBondContact CB-O 3.39Å
611Y92.4Very high87.4Confident51 Ų5143.4 Ų43.420%0.222%0.22CC..Hα-helixtrans-60.2-51.5176.7174.2-99000112.2F485 E607 A608 T613 K614 K615F485-Y611 HydrophobicContact CE1-CE1 4.04Å; F485-Y611 AromaticContact CZ-CE1 3.65Å; F485-Y611 HydrophobicContact CZ-CE1 3.65Å; E607-Y611 WeakPolarHBondContact O-CB 3.45Å; E607-Y611 PolarHBondContact O-N 3.15Å; A608-Y611 PolarHBondContact O-N 3.39Å; Y611-T613 PolarHBondContact O-N 2.93Å; Y611-K614 VanDerWaalsContact O-CB 3.3Å; Y611-K614 WeakPolarHBondContact O-CB 3.39Å; Y611-K614 PolarHBondContact O-N 2.77Å; Y611-K614 VanDerWaalsContact O-N 3.15Å; Y611-K615 HydrophobicContact CD1-CG 4.48Å; Y611-K615 HydrophobicContact CE1-CG 4.04Å; Y611-K615 PolarHBondContact O-N 2.92Å; Y611-K615 VanDerWaalsContact O-N 3.11Å; Y611-K615 VanDerWaalsContact OH-CE 3.31Å; Y611-K615 WeakPolarHBondContact OH-CE 3.35Å
612F92.4Very high85.8Confident0 Ų044.5 Ų44.50%023%0.228CC..Hα-helixtrans-68.4-36.2-177-157.9-92.9000111.8V482 F485 F530 C557 Y561 A608 K614 K615 I616V482-F612 HydrophobicContact CB-CZ 4.42Å; V482-F612 HydrophobicContact CG2-CE1 3.99Å; V482-F612 HydrophobicContact CG2-CE2 4.45Å; V482-F612 HydrophobicContact CG2-CZ 3.73Å; F485-F612 HydrophobicContact CB-CE2 4.08Å; F485-F612 HydrophobicContact CB-CZ 4.42Å; F485-F612 HydrophobicContact CD1-CD2 4.08Å; F485-F612 AromaticContact CD1-CE2 3.49Å; F485-F612 HydrophobicContact CD1-CE2 3.49Å; F485-F612 VanDerWaalsContact CD1-CE2 3.49Å; F485-F612 HydrophobicContact CE1-CD2 4.21Å; F485-F612 HydrophobicContact CE1-CE2 4.08Å; F485-F612 AromaticContact CG-CE2 3.79Å; F485-F612 HydrophobicContact CG-CE2 3.79Å; F530-F612 HydrophobicContact CE1-CE1 4.28Å; F530-F612 HydrophobicContact CE1-CE2 4.39Å; F530-F612 AromaticContact CE1-CZ 3.86Å; F530-F612 HydrophobicContact CE1-CZ 3.86Å; F530-F612 HydrophobicContact CZ-CE1 4.28Å; F530-F612 HydrophobicContact CZ-CZ 4.28Å; C557-F612 HydrophobicContact CB-CD1 4.02Å; C557-F612 HydrophobicContact CB-CE1 3.74Å; Y561-F612 HydrophobicContact CD1-CB 3.97Å; Y561-F612 HydrophobicContact CD1-CD2 4.03Å; Y561-F612 HydrophobicContact CD1-CG 4.19Å; Y561-F612 AromaticContact CD2-CD2 3.56Å; Y561-F612 HydrophobicContact CD2-CD2 3.56Å; Y561-F612 AromaticContact CD2-CE2 3.8Å; Y561-F612 HydrophobicContact CD2-CE2 3.8Å; Y561-F612 HydrophobicContact CD2-CG 4.4Å; Y561-F612 HydrophobicContact CE1-CB 4.38Å; Y561-F612 HydrophobicContact CE1-CD2 4.4Å; Y561-F612 AromaticContact CE2-CD2 3.97Å; Y561-F612 HydrophobicContact CE2-CD2 3.97Å; Y561-F612 HydrophobicContact CE2-CE2 4.37Å; Y561-F612 HydrophobicContact CG-CB 4.27Å; Y561-F612 AromaticContact CG-CD2 3.59Å; Y561-F612 HydrophobicContact CG-CD2 3.59Å; Y561-F612 HydrophobicContact CG-CE2 4.13Å; Y561-F612 AromaticContact CG-CG 3.98Å; Y561-F612 HydrophobicContact CG-CG 3.98Å; A608-F612 PolarHBondContact O-N 2.85Å; F612-K614 VanDerWaalsContact C-N 3.27Å; F612-K614 PolarHBondContact O-N 3.06Å; F612-K615 WeakPolarHBondContact O-CA 3.47Å; F612-K615 WeakPolarHBondContact O-CB 3.38Å; F612-K615 PolarHBondContact O-N 3.26Å; F612-I616 HydrophobicContact CD1-CD1 3.97Å; F612-I616 HydrophobicContact CD1-CG1 4.1Å; F612-I616 HydrophobicContact CE1-CD1 4.17Å; F612-I616 HydrophobicContact CE1-CG1 4.06Å; F612-I616 WeakPolarHBondContact O-CG1 3.2Å; F612-I616 PolarHBondContact O-N 2.97Å
613T88.4Confident83.9Confident3 Ų345.2 Ų45.22%0.01824%0.236CC..Hα-helixtrans-60.2-39172.7-58.90000111.8V554 C558 T609 Y611 K615 I616 K617 N829V554-T613 HydrophobicContact CG1-CG2 4.1Å; C558-T613 PolarHBondContact SG-OG1 2.93Å; T609-T613 WeakPolarHBondContact O-CB 3.46Å; T609-T613 PolarHBondContact O-N 3.05Å; T609-T613 PolarHBondContact O-OG1 3.49Å; Y611-T613 PolarHBondContact O-N 2.93Å; T613-K615 VanDerWaalsContact C-N 3.3Å; T613-K615 PolarHBondContact O-N 2.88Å; T613-I616 PolarHBondContact O-N 3.21Å; T613-K617 HydrophobicContact CG2-CD 4.36Å; T613-K617 WeakPolarHBondContact O-CG 3.26Å; T613-K617 PolarHBondContact O-N 3.37Å; T613-K617 VanDerWaalsContact O-N 3.08Å; T613-N829 HydrophobicContact CG2-CB 3.89Å; T613-N829 WeakPolarHBondContact OG1-CB 3.45Å; T613-N829 PolarHBondContact OG1-ND2 3.37Å
614K87.8Confident81.9Confident107 Ų10747.1 Ų47.147%0.46526%0.255SS..Hα-helixtrans-61.8-39.3173.3-172-170.9176.8-163.80111.2S610 Y611 F612 K617 E618S610-K614 PolarHBondContact O-N 3.44Å; S610-K614 VanDerWaalsContact O-N 3.08Å; Y611-K614 VanDerWaalsContact O-CB 3.3Å; Y611-K614 WeakPolarHBondContact O-CB 3.39Å; Y611-K614 PolarHBondContact O-N 2.77Å; Y611-K614 VanDerWaalsContact O-N 3.15Å; F612-K614 VanDerWaalsContact C-N 3.27Å; F612-K614 PolarHBondContact O-N 3.06Å; K614-K617 PolarHBondContact O-N 3.28Å; K614-E618 WeakPolarHBondContact CE-OE1 3.46Å; K614-E618 IonicContact NZ-OE1 3.91Å; K614-E618 WeakPolarHBondContact O-CG 3.32Å; K614-E618 PolarHBondContact O-N 2.99Å
615K88.6Confident80Confident39 Ų3944.8 Ų44.817%0.1724%0.241CC..Hα-helixtrans-66.5-35.5176.8-65.3-70.2165.5-161.20113.4F485 P529 F530 Y611 F612 T613 E618 S619F485-K615 HydrophobicContact CE2-CD 3.97Å; F485-K615 HydrophobicContact CE2-CG 4.06Å; F485-K615 HydrophobicContact CZ-CD 4.45Å; F485-K615 HydrophobicContact CZ-CG 4.26Å; P529-K615 HydrophobicContact CB-CB 4.19Å; P529-K615 HydrophobicContact CB-CD 3.86Å; P529-K615 HydrophobicContact CG-CB 4.29Å; P529-K615 HydrophobicContact CG-CD 3.55Å; F530-K615 HydrophobicContact CE1-CB 4.03Å; Y611-K615 HydrophobicContact CD1-CG 4.48Å; Y611-K615 HydrophobicContact CE1-CG 4.04Å; Y611-K615 PolarHBondContact O-N 2.92Å; Y611-K615 VanDerWaalsContact O-N 3.11Å; Y611-K615 VanDerWaalsContact OH-CE 3.31Å; Y611-K615 WeakPolarHBondContact OH-CE 3.35Å; F612-K615 WeakPolarHBondContact O-CA 3.47Å; F612-K615 WeakPolarHBondContact O-CB 3.38Å; F612-K615 PolarHBondContact O-N 3.26Å; T613-K615 VanDerWaalsContact C-N 3.3Å; T613-K615 PolarHBondContact O-N 2.88Å; K615-E618 WeakPolarHBondContact CD-OE2 3.4Å; K615-E618 IonicContact NZ-OE1 3.68Å; K615-E618 IonicContact NZ-OE2 3.23Å; K615-E618 PolarHBondContact NZ-OE2 3.24Å; K615-S619 WeakPolarHBondContact O-CB 3.26Å; K615-S619 PolarHBondContact O-N 2.74Å; K615-S619 PolarHBondContact O-OG 3.35Å
616I86.6Confident78.2Confident3 Ų344.9 Ų44.92%0.01524%0.237CC..Hα-helixtrans-61.2-50.4170.6-62.3166.4000110F530 F532 F553 V554 C557 F612 T613 E618 S619 M620F530-I616 HydrophobicContact CE2-CG1 4.38Å; F530-I616 HydrophobicContact CZ-CB 4.22Å; F530-I616 HydrophobicContact CZ-CG1 3.66Å; F532-I616 HydrophobicContact CD1-CG2 4.36Å; F532-I616 HydrophobicContact CE1-CG2 4.49Å; F553-I616 HydrophobicContact CE1-CG2 4.27Å; V554-I616 HydrophobicContact CB-CD1 4.33Å; V554-I616 HydrophobicContact CG1-CD1 4.07Å; V554-I616 HydrophobicContact CG2-CD1 4.11Å; V554-I616 HydrophobicContact CG2-CG2 4.39Å; C557-I616 HydrophobicContact CB-CD1 3.72Å; F612-I616 HydrophobicContact CD1-CD1 3.97Å; F612-I616 HydrophobicContact CD1-CG1 4.1Å; F612-I616 HydrophobicContact CE1-CD1 4.17Å; F612-I616 HydrophobicContact CE1-CG1 4.06Å; F612-I616 WeakPolarHBondContact O-CG1 3.2Å; F612-I616 PolarHBondContact O-N 2.97Å; T613-I616 PolarHBondContact O-N 3.21Å; I616-E618 PolarHBondContact O-N 2.78Å; I616-S619 WeakPolarHBondContact O-CB 3.47Å; I616-S619 PolarHBondContact O-N 3.46Å; I616-S619 VanDerWaalsContact O-N 3.11Å; I616-M620 HydrophobicContact CG2-SD 4.13Å; I616-M620 WeakPolarHBondContact O-CG 3.31Å; I616-M620 PolarHBondContact O-N 3.07Å
617K81.8Confident76.4Confident71 Ų7151.3 Ų51.331%0.30927%0.266SS..Hα-helixtrans-59.6-46.2178.8-69.6172.2178.1173.20112.2T613 K614 S619 M620 D621 T827 F828T613-K617 HydrophobicContact CG2-CD 4.36Å; T613-K617 WeakPolarHBondContact O-CG 3.26Å; T613-K617 PolarHBondContact O-N 3.37Å; T613-K617 VanDerWaalsContact O-N 3.08Å; K614-K617 PolarHBondContact O-N 3.28Å; K617-S619 PolarHBondContact O-N 2.84Å; K617-M620 WeakPolarHBondContact O-CB 3.48Å; K617-M620 PolarHBondContact O-N 3.33Å; K617-D621 PolarHBondContact O-N 3.03Å; K617-D621 VanDerWaalsContact O-N 3.13Å; K617-T827 PolarHBondContact NZ-O 3.09Å; K617-F828 PolarHBondContact NZ-O 3.19Å
618E83.4Confident74.5Confident69 Ų6950.6 Ų50.632%0.32226%0.263SS..Hα-helixtrans-57.4-37.2174.9-75.2172.4-170.100112.3P529 K614 K615 I616P529-E618 HydrophobicContact CG-CB 4.33Å; K614-E618 WeakPolarHBondContact CE-OE1 3.46Å; K614-E618 IonicContact NZ-OE1 3.91Å; K614-E618 WeakPolarHBondContact O-CG 3.32Å; K614-E618 PolarHBondContact O-N 2.99Å; K615-E618 WeakPolarHBondContact CD-OE2 3.4Å; K615-E618 IonicContact NZ-OE1 3.68Å; K615-E618 IonicContact NZ-OE2 3.23Å; K615-E618 PolarHBondContact NZ-OE2 3.24Å; I616-E618 PolarHBondContact O-N 2.78Å
619S80.7Confident72.7Confident0 Ų051 Ų510%027%0.265CS..Hα-helixtrans-71.2-38.7179-59.80000112.3K528 F530 K615 I616 K617K528-S619 PolarHBondContact NZ-O 2.93Å; F530-S619 PolarHBondContact O-OG 3.08Å; K615-S619 WeakPolarHBondContact O-CB 3.26Å; K615-S619 PolarHBondContact O-N 2.74Å; K615-S619 PolarHBondContact O-OG 3.35Å; I616-S619 WeakPolarHBondContact O-CB 3.47Å; I616-S619 PolarHBondContact O-N 3.46Å; I616-S619 VanDerWaalsContact O-N 3.11Å; K617-S619 PolarHBondContact O-N 2.84Å
620M72.3Confident70.8Confident46 Ų4652.7 Ų52.723%0.22727%0.271CS..Hα-helixtrans-63.7-48.4177.3-69.5172.552.100113F532 Q537 I616 K617 C622F532-M620 HydrophobicContact CD1-CG 3.45Å; F532-M620 VanDerWaalsContact CD1-CG 3.45Å; F532-M620 HydrophobicContact CD1-SD 4.28Å; F532-M620 HydrophobicContact CE1-CG 3.64Å; F532-M620 HydrophobicContact CE1-SD 3.94Å; Q537-M620 VanDerWaalsContact OE1-CE 3.31Å; I616-M620 HydrophobicContact CG2-SD 4.13Å; I616-M620 WeakPolarHBondContact O-CG 3.31Å; I616-M620 PolarHBondContact O-N 3.07Å; K617-M620 WeakPolarHBondContact O-CB 3.48Å; K617-M620 PolarHBondContact O-N 3.33Å; M620-C622 PolarHBondContact O-N 3.31Å
621D66.6Low68.9Low127 Ų12753.6 Ų53.668%0.67928%0.275SS*.SBendtrans-75.5-9.5-169.2-69.3-23.6000113.8K617 V623K617-D621 PolarHBondContact O-N 3.03Å; K617-D621 VanDerWaalsContact O-N 3.13Å; D621-V623 PolarHBondContact O-N 2.88Å
622C62Low66.9Low40 Ų4053.9 Ų53.927%0.2728%0.278SS..  trans-87100.5-170.3174.70000112.7K528 M620 A624K528-C622 HydrophobicContact CD-CB 4.27Å; K528-C622 WeakPolarHBondContact CE-O 3.21Å; K528-C622 WeakPolarHBondContact CE-SG 3.34Å; K528-C622 HydrophobicContact CG-CB 4.3Å; K528-C622 PolarHBondContact NZ-O 3.17Å; M620-C622 PolarHBondContact O-N 3.31Å; C622-A624 VanDerWaalsContact C-N 3.3Å; C622-A624 PolarHBondContact O-N 3.22Å
623V51Low64.9Low115 Ų11554.6 Ų54.670%0.69728%0.283SS*.THydrogen-bonded Turntrans-62.1-28.5-179.8-176.70000113.4D621 V625 K626D621-V623 PolarHBondContact O-N 2.88Å; V623-V625 PolarHBondContact O-N 3.27Å; V623-V625 VanDerWaalsContact O-N 3.08Å; V623-K626 PolarHBondContact O-N 3.48Å; V623-K626 VanDerWaalsContact O-N 3.12Å
624A49.6Very low62.8Low66 Ų6660.1 Ų60.155%0.54531%0.31SS..Hα-helixtrans-59.9-23.6-17700000113.8C622 F627 N628C622-A624 VanDerWaalsContact C-N 3.3Å; C622-A624 PolarHBondContact O-N 3.22Å; A624-F627 PolarHBondContact O-N 3.43Å; A624-N628 PolarHBondContact O-N 3.07Å
625V52.4Low60.8Low20 Ų2061.2 Ų61.212%0.12133%0.325CS..Hα-helixtrans-72.1-35.1177.8143.70000113.3K528 T533 V623 F627 N628 F629K528-V625 HydrophobicContact CD-CB 4.28Å; K528-V625 HydrophobicContact CD-CG2 3.49Å; K528-V625 VanDerWaalsContact CD-CG2 3.49Å; K528-V625 HydrophobicContact CG-CG2 4.3Å; K528-V625 VanDerWaalsContact NZ-CB 3.3Å; T533-V625 HydrophobicContact CG2-CG1 4.38Å; V623-V625 PolarHBondContact O-N 3.27Å; V623-V625 VanDerWaalsContact O-N 3.08Å; V625-F627 PolarHBondContact O-N 3.2Å; V625-N628 PolarHBondContact O-N 2.97Å; V625-F629 HydrophobicContact CB-CE2 4.47Å; V625-F629 HydrophobicContact CG1-CD1 4.48Å; V625-F629 HydrophobicContact CG1-CD2 3.57Å; V625-F629 HydrophobicContact CG1-CE1 4.02Å; V625-F629 HydrophobicContact CG1-CE2 3.1Å; V625-F629 HydrophobicContact CG1-CG 4.28Å; V625-F629 HydrophobicContact CG1-CZ 3.37Å; V625-F629 WeakPolarHBondContact O-CB 3.14Å; V625-F629 WeakPolarHBondContact O-CD2 3.29Å; V625-F629 WeakPolarHBondContact O-CG 3.46Å; V625-F629 PolarHBondContact O-N 3.21Å
626K53.2Low58.5Low78 Ų7863 Ų6334%0.33933%0.334SS..Hα-helixtrans-61.4-36.9173.1-69.6-172.9178.4-177.20110.6S534 V623 F630S534-K626 WeakPolarHBondContact OG-CE 3.38Å; S534-K626 PolarHBondContact OG-NZ 3.07Å; V623-K626 PolarHBondContact O-N 3.48Å; V623-K626 VanDerWaalsContact O-N 3.12Å; K626-F630 VanDerWaalsContact O-CB 3.23Å; K626-F630 WeakPolarHBondContact O-CB 3.2Å; K626-F630 PolarHBondContact O-N 2.65Å
627F50.3Low56.1Low142 Ų14268.2 Ų68.262%0.62337%0.368SS*.Hα-helixtrans-71.5-44.5176.8-162.9-96.5000112.2A624 V625 F629 F630 T631A624-F627 PolarHBondContact O-N 3.43Å; V625-F627 PolarHBondContact O-N 3.2Å; F627-F629 PolarHBondContact O-N 2.96Å; F627-F630 WeakPolarHBondContact O-CB 3.48Å; F627-F630 PolarHBondContact O-N 2.83Å; F627-T631 HydrophobicContact CD1-CG2 4.11Å; F627-T631 HydrophobicContact CE1-CG2 3.84Å; F627-T631 HydrophobicContact CZ-CG2 4.37Å; F627-T631 WeakPolarHBondContact O-CG2 3.05Å; F627-T631 PolarHBondContact O-N 3.1Å; F627-T631 PolarHBondContact O-OG1 3.35Å
628N51.9Low53.7Low35 Ų3570.2 Ų70.219%0.18739%0.391CS..Hα-helixtrans-62.5-44176.9-159.421.6000111.6A624 V625 F630 T631 H632A624-N628 PolarHBondContact O-N 3.07Å; V625-N628 PolarHBondContact O-N 2.97Å; N628-F630 VanDerWaalsContact C-N 3.34Å; N628-F630 PolarHBondContact O-N 3.17Å; N628-T631 WeakPolarHBondContact CA-OG1 3.47Å; N628-T631 PolarHBondContact O-N 3.28Å; N628-T631 PolarHBondContact O-OG1 3.05Å; N628-H632 PolarHBondContact O-CD2 2.88Å; N628-H632 VanDerWaalsContact O-CD2 3.28Å; N628-H632 PolarHBondContact O-N 2.88Å; N628-H632 PolarHBondContact OD1-CD2 3.19Å
629F56.3Low51.3Low10 Ų1075.3 Ų75.34%0.04441%0.412CS..Hα-helixtrans-61.8-40174.5-66.4-17.2000112.8H493 N494 V531 T533 V625 F627 T633H493-F629 HydrophobicContact CB-CD1 4.32Å; H493-F629 HydrophobicContact CB-CE1 4.31Å; N494-F629 WeakPolarHBondContact ND2-CD2 3.41Å; N494-F629 WeakPolarHBondContact ND2-CG 3.26Å; N494-F629 VanDerWaalsContact OD1-CD2 3.28Å; N494-F629 WeakPolarHBondContact OD1-CD2 2.97Å; N494-F629 WeakPolarHBondContact OD1-CE1 3.43Å; N494-F629 WeakPolarHBondContact OD1-CE2 3.47Å; N494-F629 WeakPolarHBondContact OD1-CG 3.21Å; N494-F629 WeakPolarHBondContact OD1-CZ 3.46Å; V531-F629 HydrophobicContact CG1-CZ 3.99Å; T533-F629 HydrophobicContact CG2-CE2 3.71Å; T533-F629 HydrophobicContact CG2-CZ 4.35Å; V625-F629 HydrophobicContact CB-CE2 4.47Å; V625-F629 HydrophobicContact CG1-CD1 4.48Å; V625-F629 HydrophobicContact CG1-CD2 3.57Å; V625-F629 HydrophobicContact CG1-CE1 4.02Å; V625-F629 HydrophobicContact CG1-CE2 3.1Å; V625-F629 HydrophobicContact CG1-CG 4.28Å; V625-F629 HydrophobicContact CG1-CZ 3.37Å; V625-F629 WeakPolarHBondContact O-CB 3.14Å; V625-F629 WeakPolarHBondContact O-CD2 3.29Å; V625-F629 WeakPolarHBondContact O-CG 3.46Å; V625-F629 PolarHBondContact O-N 3.21Å; F627-F629 PolarHBondContact O-N 2.96Å; F629-T633 WeakPolarHBondContact O-CB 3.48Å; F629-T633 PolarHBondContact O-N 2.96Å; F629-T633 PolarHBondContact O-OG1 3.43Å
630F50.5Low48.9Very low50 Ų5087.3 Ų87.322%0.21946%0.457CS..Hα-helixtrans-63.6-46.3175.2-174.3-103.7000111.4V443 L447 K626 F627 N628 H632 T633 M634V443-F630 HydrophobicContact CG1-CE2 3.84Å; V443-F630 HydrophobicContact CG1-CZ 4.15Å; L447-F630 HydrophobicContact CD1-CD2 4.49Å; L447-F630 HydrophobicContact CD1-CE2 4.32Å; L447-F630 HydrophobicContact CG-CD2 4.47Å; K626-F630 VanDerWaalsContact O-CB 3.23Å; K626-F630 WeakPolarHBondContact O-CB 3.2Å; K626-F630 PolarHBondContact O-N 2.65Å; F627-F630 WeakPolarHBondContact O-CB 3.48Å; F627-F630 PolarHBondContact O-N 2.83Å; N628-F630 VanDerWaalsContact C-N 3.34Å; N628-F630 PolarHBondContact O-N 3.17Å; F630-H632 PolarHBondContact O-N 3.32Å; F630-T633 PolarHBondContact O-N 3.07Å; F630-M634 HydrophobicContact CD1-CG 4.34Å; F630-M634 HydrophobicContact CD1-SD 3.76Å; F630-M634 HydrophobicContact CE1-CE 4.33Å; F630-M634 HydrophobicContact CE1-CG 4.1Å; F630-M634 HydrophobicContact CE1-SD 3.22Å; F630-M634 WeakPolarHBondContact CE1-SD 3.5Å; F630-M634 HydrophobicContact CZ-CE 4.47Å; F630-M634 HydrophobicContact CZ-CG 4.27Å; F630-M634 HydrophobicContact CZ-SD 3.75Å; F630-M634 WeakPolarHBondContact O-CG 3.45Å; F630-M634 PolarHBondContact O-N 2.94Å
631T48.8Very low47Very low53 Ų5390.7 Ų90.733%0.32548%0.476SS..Hα-helixtrans-63.8-37.5178.551.40000113.1F627 N628 V635F627-T631 HydrophobicContact CD1-CG2 4.11Å; F627-T631 HydrophobicContact CE1-CG2 3.84Å; F627-T631 HydrophobicContact CZ-CG2 4.37Å; F627-T631 WeakPolarHBondContact O-CG2 3.05Å; F627-T631 PolarHBondContact O-N 3.1Å; F627-T631 PolarHBondContact O-OG1 3.35Å; N628-T631 WeakPolarHBondContact CA-OG1 3.47Å; N628-T631 PolarHBondContact O-N 3.28Å; N628-T631 PolarHBondContact O-OG1 3.05Å; T631-V635 WeakPolarHBondContact O-CG2 3.26Å
632H50.8Low45.3Very low58 Ų5890.8 Ų90.827%0.26948%0.481SS..Hα-helixtrans-68-36.4174.9-86.1-90.3000112.3H493 N628 F630H493-H632 AromaticContact CD2-CE1 3.89Å; N628-H632 PolarHBondContact O-CD2 2.88Å; N628-H632 VanDerWaalsContact O-CD2 3.28Å; N628-H632 PolarHBondContact O-N 2.88Å; N628-H632 PolarHBondContact OD1-CD2 3.19Å; F630-H632 PolarHBondContact O-N 3.32Å
633T51Low44.1Very low15 Ų1591.8 Ų91.89%0.09248%0.484CS..Hα-helixtrans-70.9-33.2178.8-53.90000112.3Q439 T446 F629 F630 V635 Q636Q439-T633 HydrophobicContact CG-CG2 4.29Å; T446-T633 HydrophobicContact CG2-CG2 4.27Å; T446-T633 WeakPolarHBondContact CG2-OG1 3.21Å; F629-T633 WeakPolarHBondContact O-CB 3.48Å; F629-T633 PolarHBondContact O-N 2.96Å; F629-T633 PolarHBondContact O-OG1 3.43Å; F630-T633 PolarHBondContact O-N 3.07Å; T633-V635 VanDerWaalsContact C-N 3.29Å; T633-V635 PolarHBondContact O-N 3.19Å; T633-Q636 PolarHBondContact O-N 3.39Å
634M43.4Very low43.3Very low119 Ų11996.5 Ų96.559%0.58649%0.489SS*.Hα-helixtrans-69.3-22.1178.8-72.4-173.888.900114.3V443 F630V443-M634 HydrophobicContact CG1-CG 4.21Å; F630-M634 HydrophobicContact CD1-CG 4.34Å; F630-M634 HydrophobicContact CD1-SD 3.76Å; F630-M634 HydrophobicContact CE1-CE 4.33Å; F630-M634 HydrophobicContact CE1-CG 4.1Å; F630-M634 HydrophobicContact CE1-SD 3.22Å; F630-M634 WeakPolarHBondContact CE1-SD 3.5Å; F630-M634 HydrophobicContact CZ-CE 4.47Å; F630-M634 HydrophobicContact CZ-CG 4.27Å; F630-M634 HydrophobicContact CZ-SD 3.75Å; F630-M634 WeakPolarHBondContact O-CG 3.45Å; F630-M634 PolarHBondContact O-N 2.94Å
635V44.8Very low42.7Very low129 Ų129101.2 Ų101.278%0.78249%0.492SS*.THydrogen-bonded Turntrans-86.5-9.4-177.1178.50000112T631 T633T631-V635 WeakPolarHBondContact O-CG2 3.26Å; T633-V635 VanDerWaalsContact C-N 3.29Å; T633-V635 PolarHBondContact O-N 3.19Å
636Q41.7Very low41.8Very low77 Ų77107.7 Ų107.736%0.3652%0.521SS..SBendtrans-98.9136.1-177-67.8-174.713.100113.4D495 T633D495-Q636 PolarHBondContact OD2-NE2 3.44Å; T633-Q636 PolarHBondContact O-N 3.39Å
637P35.3Very low40.8Very low113 Ų113109.8 Ų109.873%0.73454%0.541SS*.PPolyproline II helixtrans-72.6128.6175.127.5-31.4000111.6K639P637-K639 PolarHBondContact O-N 3.03Å
638S31.6Very low39.9Very low112 Ų112110.4 Ų110.478%0.78355%0.55SS*.PPolyproline II helixtrans-67.8126.1179.766.70000112.2
639K33.8Very low39Very low177 Ų177114.8 Ų114.877%0.7758%0.58SS**  trans-123.7129.6162.8-77.5-174.6179176.50110.5P637P637-K639 PolarHBondContact O-N 3.03Å
640R29.3Very low38Very low252 Ų252116 Ų11695%0.95160%0.595SS**  trans-84.5108.7175.3-72179.8176.3174.5-0.6109.2
641D32.1Very low37.4Very low116 Ų116117.9 Ų117.962%0.6261%0.611SS**  trans-104.6147.5167.1-78.5-28.5000111K436K436-D641 IonicContact NZ-OD2 2.65Å; K436-D641 PolarHBondContact NZ-OD2 3.23Å
642T31.7Very low37.2Very low129 Ų129119.8 Ų119.879%0.79162%0.619SS**PPolyproline II helixtrans-93.3125.6-179.6-46.20000109.4R644T642-R644 PolarHBondContact O-N 3.12Å
643I36.5Very low37.3Very low62 Ų62120.2 Ų120.232%0.31863%0.626SS.*PPolyproline II helixtrans-60.2119177.5-60.9171.1000109.2
644R34.9Very low38Very low213 Ų213120.8 Ų120.880%0.80463%0.628SS**PPolyproline II helixtrans-79.5127.7168.7-99.3-174.3172.1-174.4-1.4109.1T642T642-R644 PolarHBondContact O-N 3.12Å
645R36.8Very low39.3Very low165 Ų165115.1 Ų115.162%0.62360%0.601SS**PPolyproline II helixtrans-89.8132.4-173.6-61.9171.2178175.3-4.5109.5
646H33.7Very low40.6Very low156 Ų156112.4 Ų112.472%0.72258%0.579SS**PPolyproline II helixtrans-103.8128.9160.3-77.6-78.7000108.4
647T30.5Very low42.3Very low123 Ų123114.7 Ų114.776%0.75559%0.588SS**  trans-89.9105.6-176.5-28.50000107.8
648L32.6Very low44.6Very low155 Ų155109.6 Ų109.681%0.81256%0.555SS**  trans-79.2140.5162.8-78.6156.1000108.3G650L648-G650 PolarHBondContact O-N 3.08Å
649P33.1Very low47.2Very low126 Ų126106.7 Ų106.782%0.81853%0.532SS*.  trans-72111.2170.926-24.4000108.4
650G34.5Very low49.8Very low35 Ų3598.4 Ų98.436%0.36150%0.496SS..  trans-86.4160.1174.400000111.8L648L648-G650 PolarHBondContact O-N 3.08Å
651T38.5Very low52.5Low91 Ų9191 Ų9156%0.55847%0.472SS*.  trans-62.9161.1177.742.20000113.4T653T651-T653 PolarHBondContact O-N 2.93Å
652N45.5Very low55Low92 Ų9289.4 Ų89.449%0.49246%0.464SS..THydrogen-bonded Turntrans-62.113.8-163.6-65.75.8000118.6D680N652-D680 WeakPolarHBondContact CB-OD2 3.14Å; N652-D680 PolarHBondContact ND2-OD1 3.42Å; N652-D680 PolarHBondContact ND2-OD2 2.62Å
653T52.1Low57.6Low68 Ų6885.7 Ų85.742%0.41744%0.437SS..THydrogen-bonded Turntrans-105.78.9-179.853.40000113.9T651 I655T651-T653 PolarHBondContact O-N 2.93Å; T653-I655 PolarHBondContact O-N 2.81Å; T653-I655 VanDerWaalsContact O-N 3.15Å
654N66Low59.9Low26 Ų2684.6 Ų84.614%0.13944%0.435CS..  trans-64.4115.5179.9-79.3-39.2000111.8Q656 I678 G742N654-Q656 PolarHBondContact O-N 3.07Å; N654-I678 WeakPolarHBondContact O-CA 3.43Å; N654-G742 VanDerWaalsContact OD1-C 3.24Å; N654-G742 WeakPolarHBondContact OD1-CA 3.21Å; N654-G742 PolarHBondContact OD1-O 2.88Å; N654-G742 VanDerWaalsContact OD1-O 3.04Å
655I69.3Low62.1Low1 Ų178.5 Ų78.51%0.00542%0.421CS..EExtended strand (participates in β ladder)trans-65.2109.3169.1-65.9177.6000109T653 V658 I676 I678 F736 C747 F750 L751T653-I655 PolarHBondContact O-N 2.81Å; T653-I655 VanDerWaalsContact O-N 3.15Å; I655-V658 HydrophobicContact CG2-CG2 3.27Å; I655-I676 HydrophobicContact CB-CG2 4.33Å; I655-I676 HydrophobicContact CD1-CG2 3.76Å; I655-I676 HydrophobicContact CG1-CG2 3.62Å; I655-I676 HydrophobicContact CG2-CG2 3.9Å; I655-I678 HydrophobicContact CG1-CG2 4Å; I655-F736 HydrophobicContact CB-CD1 4.19Å; I655-F736 HydrophobicContact CB-CE1 3.84Å; I655-F736 HydrophobicContact CD1-CE1 4.16Å; I655-F736 HydrophobicContact CD1-CZ 4.24Å; I655-F736 HydrophobicContact CG2-CD1 3.73Å; I655-F736 HydrophobicContact CG2-CE1 3.56Å; I655-F736 HydrophobicContact CG2-CG 4.33Å; I655-F736 HydrophobicContact CG2-CZ 4.03Å; I655-C747 HydrophobicContact CD1-CB 3.88Å; I655-C747 HydrophobicContact CG1-CB 4.06Å; I655-C747 VanDerWaalsContact CG1-SG 3.51Å; I655-F750 HydrophobicContact CD1-CB 4.25Å; I655-L751 HydrophobicContact CD1-CG 4.5Å
656Q72Confident64Low71 Ų7178.8 Ų78.833%0.33243%0.427SS..EExtended strand (participates in β ladder)trans-80.5-34.5176.2-64.8-59.8-23.100111.8N654 T677 D679N654-Q656 PolarHBondContact O-N 3.07Å; Q656-T677 PolarHBondContact N-O 2.95Å; Q656-D679 VanDerWaalsContact CG-OD1 3.28Å; Q656-D679 WeakPolarHBondContact CG-OD1 3.48Å; Q656-D679 PolarHBondContact NE2-OD1 2.92Å; Q656-D679 PolarHBondContact NE2-OD2 3.24Å
657K79.4Confident66.1Low126 Ų12674.8 Ų74.855%0.54843%0.428SS..EExtended strand (participates in β ladder)trans-158.3136.6-176.5-165.2179.4-177.41790111.7V659 T677K657-V659 HydrophobicContact CD-CG2 4.17Å; K657-V659 HydrophobicContact CG-CG2 4.03Å; K657-T677 PolarHBondContact N-O 3.43Å; K657-T677 PolarHBondContact O-N 2.89Å
658V83.1Confident68Low6 Ų681.1 Ų81.14%0.03644%0.438CS..EExtended strand (participates in β ladder)trans-121.6126.6170.2-173.40000109.6I655 L674 I676 L732 F736I655-V658 HydrophobicContact CG2-CG2 3.27Å; V658-L674 HydrophobicContact CG1-CB 4.34Å; V658-L674 HydrophobicContact CG1-CD2 3.71Å; V658-L674 HydrophobicContact CG1-CG 4.43Å; V658-I676 HydrophobicContact CG1-CG1 4.15Å; V658-I676 HydrophobicContact CG2-CG1 4.27Å; V658-I676 HydrophobicContact CG2-CG2 4.35Å; V658-L732 HydrophobicContact CB-CD2 4.49Å; V658-L732 HydrophobicContact CG1-CD1 4.01Å; V658-L732 HydrophobicContact CG1-CD2 4.2Å; V658-F736 HydrophobicContact CB-CD2 3.96Å; V658-F736 HydrophobicContact CB-CE2 3.86Å; V658-F736 HydrophobicContact CG2-CD2 3.63Å; V658-F736 HydrophobicContact CG2-CE1 4.26Å; V658-F736 HydrophobicContact CG2-CE2 3.29Å; V658-F736 HydrophobicContact CG2-CG 4.27Å; V658-F736 HydrophobicContact CG2-CZ 3.64Å
659V86.6Confident70Confident51 Ų5177.6 Ų77.631%0.30942%0.422SS..EExtended strand (participates in β ladder)trans-135.6132.3175.8-175.80000109.9K657 Q661 R675K657-V659 HydrophobicContact CD-CG2 4.17Å; K657-V659 HydrophobicContact CG-CG2 4.03Å; V659-Q661 PolarHBondContact O-N 2.96Å; V659-R675 PolarHBondContact N-O 2.83Å; V659-R675 PolarHBondContact O-N 2.68Å
660I88.3Confident72.4Confident2 Ų272.8 Ų72.81%0.0139%0.391CS..EExtended strand (participates in β ladder)trans-75.7112.4167.8-59.5168.6000108.4D662 F672 N673 L674 F692 K725 L728 N729 L732I660-D662 WeakPolarHBondContact CG2-O 3.41Å; I660-F672 HydrophobicContact CD1-CB 4.16Å; I660-F672 HydrophobicContact CD1-CD1 4.37Å; I660-F672 HydrophobicContact CD1-CG 4.28Å; I660-F672 HydrophobicContact CG1-CB 4.33Å; I660-F672 HydrophobicContact CG2-CB 3.75Å; I660-F672 HydrophobicContact CG2-CD1 3.88Å; I660-F672 HydrophobicContact CG2-CG 4.24Å; I660-N673 CarbonylContact C-O 3.49Å; I660-N673 WeakPolarHBondContact CA-O 3.46Å; I660-L674 HydrophobicContact CG1-CG 4.36Å; I660-F692 HydrophobicContact CD1-CE2 4.34Å; I660-F692 HydrophobicContact CD1-CZ 4.09Å; I660-F692 HydrophobicContact CG1-CZ 4.45Å; I660-K725 HydrophobicContact CB-CG 4.21Å; I660-K725 HydrophobicContact CG2-CD 4.31Å; I660-K725 HydrophobicContact CG2-CG 3.84Å; I660-K725 WeakPolarHBondContact O-CE 3.41Å; I660-L728 HydrophobicContact CD1-CB 3.52Å; I660-L728 HydrophobicContact CD1-CD1 3.95Å; I660-L728 HydrophobicContact CD1-CG 4.41Å; I660-N729 WeakPolarHBondContact CB-OD1 3.26Å; I660-N729 PolarHBondContact N-OD1 3.26Å; I660-N729 PolarHBondContact O-ND2 3.17Å; I660-L732 HydrophobicContact CD1-CD1 4Å; I660-L732 HydrophobicContact CG1-CD1 3.91Å
661Q86.2Confident74.8Confident96 Ų9672.3 Ų72.345%0.44938%0.381SS..EExtended strand (participates in β ladder)trans-79.7-45.8-177.5-72.5-169-62.300112.3V659 N673 R675 K725V659-Q661 PolarHBondContact O-N 2.96Å; Q661-N673 PolarHBondContact N-O 3.44Å; Q661-R675 HydrophobicContact CG-CB 3.69Å; Q661-R675 VanDerWaalsContact NE2-CD 3.29Å; Q661-K725 WeakPolarHBondContact O-CE 3.39Å; Q661-K725 PolarHBondContact O-NZ 3.34Å
662D83.6Confident77.2Confident83 Ų8368 Ų6844%0.44436%0.355SS..EExtended strand (participates in β ladder)trans-154.8-174.3179.167.1-11.4000110.2I660 N673I660-D662 WeakPolarHBondContact CG2-O 3.41Å; D662-N673 PolarHBondContact O-N 2.77Å; D662-N673 WeakPolarHBondContact OD1-CB 3.48Å; D662-N673 VanDerWaalsContact OD1-CG 3.32Å; D662-N673 PolarHBondContact OD1-ND2 2.89Å
663F86.3Confident79.2Confident51 Ų5165.1 Ų65.122%0.22434%0.339CS..EExtended strand (participates in β ladder)trans-144146.9179.161.3-89.9000109.8V665 V670 T671 F672 P721 Q722 K725F663-V665 HydrophobicContact CD2-CG2 3.96Å; F663-V665 HydrophobicContact CE2-CG2 4.05Å; F663-V670 HydrophobicContact CB-CG1 4.25Å; F663-V670 HydrophobicContact CD2-CG1 4.22Å; F663-T671 CarbonylContact C-O 3.18Å; F663-T671 VanDerWaalsContact CA-O 3.22Å; F663-T671 WeakPolarHBondContact CA-O 3.41Å; F663-T671 WeakPolarHBondContact CB-O 3.06Å; F663-F672 HydrophobicContact CB-CD1 3.8Å; F663-F672 HydrophobicContact CB-CE1 4.16Å; F663-P721 HydrophobicContact CD1-CB 4.34Å; F663-P721 HydrophobicContact CD2-CB 3.67Å; F663-P721 HydrophobicContact CD2-CG 4.43Å; F663-P721 HydrophobicContact CE1-CB 4.11Å; F663-P721 HydrophobicContact CE2-CB 3.41Å; F663-P721 VanDerWaalsContact CE2-CB 3.41Å; F663-P721 HydrophobicContact CE2-CG 4.02Å; F663-P721 HydrophobicContact CG-CB 4.15Å; F663-P721 HydrophobicContact CZ-CB 3.67Å; F663-Q722 HydrophobicContact CE1-CG 4.38Å; F663-K725 HydrophobicContact CD1-CD 4.36Å
664S84.3Confident80.9Confident39 Ų3961.9 Ų61.927%0.27332%0.319SS..EExtended strand (participates in β ladder)trans-111144.8173.261.20000110T671S664-T671 PolarHBondContact N-O 2.9Å; S664-T671 PolarHBondContact O-N 3.04Å
665V81.8Confident81.8Confident85 Ų8566 Ų6652%0.51533%0.333SS..EExtended strand (participates in β ladder)trans-117.1112.5178.4-174.40000107.8F663 V670F663-V665 HydrophobicContact CD2-CG2 3.96Å; F663-V665 HydrophobicContact CE2-CG2 4.05Å; V665-V670 HydrophobicContact CG2-CG2 4.36Å
666K77Confident82.5Confident172 Ų17266 Ų6675%0.74833%0.333SS*.EExtended strand (participates in β ladder)trans-116.5100.8172.5-75.8-173.7178.41800108.4R668 V669K666-R668 PolarHBondContact O-N 3.34Å; K666-V669 PolarHBondContact N-O 3.03Å; K666-V669 PolarHBondContact O-N 3.47Å
667G77.1Confident83Confident72 Ų7264.9 Ų64.974%0.74233%0.331SS*.THydrogen-bonded Turntrans65-125.8-174.100000112.1
668R71.7Confident83Confident256 Ų25660.2 Ų60.297%0.96631%0.312SS*.THydrogen-bonded Turntrans-86.8-4176.1-66.2-174.2-176178.12113.9K666K666-R668 PolarHBondContact O-N 3.34Å
669V74.1Confident82.2Confident80 Ų8063.7 Ų63.749%0.48533%0.33SS..EExtended strand (participates in β ladder)trans-98126.6-176.3-175.50000109.7K666 T688K666-V669 PolarHBondContact N-O 3.03Å; K666-V669 PolarHBondContact O-N 3.47Å; V669-T688 HydrophobicContact CG1-CG2 3.93Å
670V83Confident81Confident25 Ų2566.7 Ų66.715%0.15234%0.344CS..EExtended strand (participates in β ladder)trans-105.5121.4174.7-177.60000108.3F663 V665 F672 P721F663-V670 HydrophobicContact CB-CG1 4.25Å; F663-V670 HydrophobicContact CD2-CG1 4.22Å; V665-V670 HydrophobicContact CG2-CG2 4.36Å; V670-F672 HydrophobicContact CG1-CE1 4.22Å; V670-F672 HydrophobicContact CG1-CE2 4.23Å; V670-F672 HydrophobicContact CG1-CZ 3.93Å; V670-P721 HydrophobicContact CG1-CB 4.2Å; V670-P721 HydrophobicContact CG1-CG 4.46Å; V670-P721 HydrophobicContact CG2-CG 4.24Å
671T86Confident80.3Confident26 Ų2668.2 Ų68.216%0.1636%0.361CS..EExtended strand (participates in β ladder)trans-111.5126.3178.3-48.50000109F663 S664 Q686F663-T671 CarbonylContact C-O 3.18Å; F663-T671 VanDerWaalsContact CA-O 3.22Å; F663-T671 WeakPolarHBondContact CA-O 3.41Å; F663-T671 WeakPolarHBondContact CB-O 3.06Å; S664-T671 PolarHBondContact N-O 2.9Å; S664-T671 PolarHBondContact O-N 3.04Å; T671-Q686 HydrophobicContact CG2-CB 3.73Å; T671-Q686 HydrophobicContact CG2-CG 4.48Å
672F88.1Confident80Confident1 Ų167.1 Ų67.10%0.00436%0.36CS..EExtended strand (participates in β ladder)trans-93.4133.4178.5-62.1-79.2000109.3I660 F663 V670 L674 Q686 K687 F689 F692 R724 K725 L728I660-F672 HydrophobicContact CD1-CB 4.16Å; I660-F672 HydrophobicContact CD1-CD1 4.37Å; I660-F672 HydrophobicContact CD1-CG 4.28Å; I660-F672 HydrophobicContact CG1-CB 4.33Å; I660-F672 HydrophobicContact CG2-CB 3.75Å; I660-F672 HydrophobicContact CG2-CD1 3.88Å; I660-F672 HydrophobicContact CG2-CG 4.24Å; F663-F672 HydrophobicContact CB-CD1 3.8Å; F663-F672 HydrophobicContact CB-CE1 4.16Å; V670-F672 HydrophobicContact CG1-CE1 4.22Å; V670-F672 HydrophobicContact CG1-CE2 4.23Å; V670-F672 HydrophobicContact CG1-CZ 3.93Å; F672-L674 WeakPolarHBondContact O-CD1 3.29Å; F672-Q686 WeakPolarHBondContact O-CA 3.47Å; F672-K687 WeakPolarHBondContact CB-O 2.99Å; F672-K687 PolarHBondContact N-O 2.99Å; F672-K687 PolarHBondContact O-N 3.5Å; F672-F689 HydrophobicContact CE2-CB 4.37Å; F672-F692 HydrophobicContact CB-CE2 4.24Å; F672-F692 HydrophobicContact CD2-CE2 4.14Å; F672-F692 HydrophobicContact CG-CE2 4.49Å; F672-R724 HydrophobicContact CE1-CB 4.38Å; F672-R724 HydrophobicContact CZ-CB 3.85Å; F672-K725 HydrophobicContact CD1-CB 4.47Å; F672-K725 HydrophobicContact CE1-CB 4.16Å; F672-L728 HydrophobicContact CD2-CD1 4.03Å; F672-L728 HydrophobicContact CE1-CD1 4.49Å; F672-L728 HydrophobicContact CE2-CD1 3.83Å; F672-L728 HydrophobicContact CG-CD1 4.45Å; F672-L728 HydrophobicContact CZ-CD1 4.08Å
673N86.4Confident79.9Confident30 Ų3066.7 Ų66.716%0.1636%0.358CS..EExtended strand (participates in β ladder)trans-94.7115.6175.6-56.8-34.2000109.1I660 Q661 D662 Q686I660-N673 CarbonylContact C-O 3.49Å; I660-N673 WeakPolarHBondContact CA-O 3.46Å; Q661-N673 PolarHBondContact N-O 3.44Å; D662-N673 PolarHBondContact O-N 2.77Å; D662-N673 WeakPolarHBondContact OD1-CB 3.48Å; D662-N673 VanDerWaalsContact OD1-CG 3.32Å; D662-N673 PolarHBondContact OD1-ND2 2.89Å; N673-Q686 VanDerWaalsContact OD1-CD 3.24Å; N673-Q686 VanDerWaalsContact OD1-CG 3.25Å; N673-Q686 WeakPolarHBondContact OD1-CG 3.47Å; N673-Q686 PolarHBondContact OD1-NE2 2.88Å
674L87.8Confident79.6Confident1 Ų169.9 Ų69.91%0.00538%0.382CS..EExtended strand (participates in β ladder)trans-92.1132.4179.6-60.982.8000109.1V658 I660 F672 I676 T684 S685 K687 F692 F750V658-L674 HydrophobicContact CG1-CB 4.34Å; V658-L674 HydrophobicContact CG1-CD2 3.71Å; V658-L674 HydrophobicContact CG1-CG 4.43Å; I660-L674 HydrophobicContact CG1-CG 4.36Å; F672-L674 WeakPolarHBondContact O-CD1 3.29Å; L674-I676 HydrophobicContact CB-CG1 4.27Å; L674-T684 VanDerWaalsContact O-CA 3.28Å; L674-T684 WeakPolarHBondContact O-CA 3.27Å; L674-S685 WeakPolarHBondContact CA-O 3.16Å; L674-S685 WeakPolarHBondContact CB-O 3.35Å; L674-S685 WeakPolarHBondContact CD1-O 3.36Å; L674-S685 PolarHBondContact N-O 3.47Å; L674-S685 PolarHBondContact O-N 3.38Å; L674-K687 HydrophobicContact CD1-CB 3.9Å; L674-K687 HydrophobicContact CD1-CD 4.48Å; L674-K687 HydrophobicContact CD1-CG 3.91Å; L674-K687 HydrophobicContact CD2-CD 4.48Å; L674-F692 HydrophobicContact CD1-CZ 3.88Å; L674-F692 HydrophobicContact CD2-CE1 3.88Å; L674-F692 HydrophobicContact CD2-CZ 3.7Å; L674-F692 HydrophobicContact CG-CZ 4.01Å; L674-F750 HydrophobicContact CD2-CD1 4.43Å
675R85.5Confident79.6Confident112 Ų11269.1 Ų69.142%0.42338%0.376SS..EExtended strand (participates in β ladder)trans-100117.1160.8-176.2175.4-179.8-172.68.6108.4V659 Q661 V682V659-R675 PolarHBondContact N-O 2.83Å; V659-R675 PolarHBondContact O-N 2.68Å; Q661-R675 HydrophobicContact CG-CB 3.69Å; Q661-R675 VanDerWaalsContact NE2-CD 3.29Å; R675-V682 HydrophobicContact CG-CG1 3.46Å; R675-V682 VanDerWaalsContact CG-CG1 3.46Å; R675-V682 VanDerWaalsContact NE-CG1 3.34Å
676I85.1Confident79.7Confident0 Ų070.9 Ų70.90%038%0.378CS..EExtended strand (participates in β ladder)trans-108.4118.9-177.9-58.8172.7000106.9I655 V658 L674 I678 V682 L683 L751I655-I676 HydrophobicContact CB-CG2 4.33Å; I655-I676 HydrophobicContact CD1-CG2 3.76Å; I655-I676 HydrophobicContact CG1-CG2 3.62Å; I655-I676 HydrophobicContact CG2-CG2 3.9Å; V658-I676 HydrophobicContact CG1-CG1 4.15Å; V658-I676 HydrophobicContact CG2-CG1 4.27Å; V658-I676 HydrophobicContact CG2-CG2 4.35Å; L674-I676 HydrophobicContact CB-CG1 4.27Å; I676-I678 HydrophobicContact CG2-CG2 4.23Å; I676-V682 CarbonylContact O-C 3.59Å; I676-V682 WeakPolarHBondContact O-CA 3.43Å; I676-L683 HydrophobicContact CB-CB 4.34Å; I676-L683 PolarHBondContact N-O 3.03Å; I676-L683 PolarHBondContact O-N 2.79Å; I676-L751 HydrophobicContact CD1-CD2 3.71Å; I676-L751 HydrophobicContact CG2-CD2 4.4Å
677T81.2Confident80.2Confident48 Ų4862.9 Ų62.929%0.29434%0.344SS..EExtended strand (participates in β ladder)trans-97.2120.9175.9-46.40000108.1Q656 K657Q656-T677 PolarHBondContact N-O 2.95Å; K657-T677 PolarHBondContact N-O 3.43Å; K657-T677 PolarHBondContact O-N 2.89Å
678I79.1Confident80.6Confident28 Ų2861 Ų6114%0.14432%0.318CS..EExtended strand (participates in β ladder)trans-114.6169.5173.256.2169.4000109.1N654 I655 I676 D680 G681 L683N654-I678 WeakPolarHBondContact O-CA 3.43Å; I655-I678 HydrophobicContact CG1-CG2 4Å; I676-I678 HydrophobicContact CG2-CG2 4.23Å; I678-D680 VanDerWaalsContact C-N 3.25Å; I678-D680 PolarHBondContact O-N 3.4Å; I678-G681 VanDerWaalsContact CG1-O 3.31Å; I678-G681 WeakPolarHBondContact CG1-O 3.39Å; I678-G681 PolarHBondContact N-O 3.12Å; I678-G681 PolarHBondContact O-N 3.22Å; I678-G681 VanDerWaalsContact O-O 3.04Å; I678-L683 HydrophobicContact CD1-CD1 3.8Å; I678-L683 HydrophobicContact CD1-CG 4.19Å
679D66.6Low81.2Confident80 Ų8050.1 Ų50.143%0.42828%0.278SS..THydrogen-bonded Turntrans-59.7-34-176.8-69.1-32.1000112.9Q656Q656-D679 VanDerWaalsContact CG-OD1 3.28Å; Q656-D679 WeakPolarHBondContact CG-OD1 3.48Å; Q656-D679 PolarHBondContact NE2-OD1 2.92Å; Q656-D679 PolarHBondContact NE2-OD2 3.24Å
680D63Low81.6Confident114 Ų11455.9 Ų55.961%0.6129%0.291SS*.THydrogen-bonded Turntrans-99.810.4-178.8-73-12.3000114.7N652 I678N652-D680 WeakPolarHBondContact CB-OD2 3.14Å; N652-D680 PolarHBondContact ND2-OD1 3.42Å; N652-D680 PolarHBondContact ND2-OD2 2.62Å; I678-D680 VanDerWaalsContact C-N 3.25Å; I678-D680 PolarHBondContact O-N 3.4Å
681G72.4Confident81.6Confident34 Ų3457.8 Ų57.835%0.35130%0.298SS..EExtended strand (participates in β ladder)trans152.9-160.4176.500000116.9I678I678-G681 VanDerWaalsContact CG1-O 3.31Å; I678-G681 WeakPolarHBondContact CG1-O 3.39Å; I678-G681 PolarHBondContact N-O 3.12Å; I678-G681 PolarHBondContact O-N 3.22Å; I678-G681 VanDerWaalsContact O-O 3.04Å
682V79.3Confident81.6Confident72 Ų7256.6 Ų56.644%0.43629%0.291SS..EExtended strand (participates in β ladder)trans-123.4121.4-177.5178.30000109.5R675 I676R675-V682 HydrophobicContact CG-CG1 3.46Å; R675-V682 VanDerWaalsContact CG-CG1 3.46Å; R675-V682 VanDerWaalsContact NE-CG1 3.34Å; I676-V682 CarbonylContact O-C 3.59Å; I676-V682 WeakPolarHBondContact O-CA 3.43Å
683L82Confident81.4Confident75 Ų7560 Ų6039%0.39331%0.307SS..EExtended strand (participates in β ladder)trans-104.1150.9174-65.1170.7000110.4I676 I678 L751I676-L683 HydrophobicContact CB-CB 4.34Å; I676-L683 PolarHBondContact N-O 3.03Å; I676-L683 PolarHBondContact O-N 2.79Å; I678-L683 HydrophobicContact CD1-CD1 3.8Å; I678-L683 HydrophobicContact CD1-CG 4.19Å; L683-L751 HydrophobicContact CD1-CD1 4.45Å; L683-L751 HydrophobicContact CD1-CD2 3.72Å
684T81.2Confident81.3Confident118 Ų11861.4 Ų61.472%0.72431%0.313SS*.EExtended strand (participates in β ladder)trans-116.7131.6172.253.10000110.2L674L674-T684 VanDerWaalsContact O-CA 3.28Å; L674-T684 WeakPolarHBondContact O-CA 3.27Å
685S83.4Confident81.1Confident22 Ų2261.3 Ų61.315%0.15431%0.313CS..EExtended strand (participates in β ladder)trans-132.2153.9177.6-177.80000109.7L674L674-S685 WeakPolarHBondContact CA-O 3.16Å; L674-S685 WeakPolarHBondContact CB-O 3.35Å; L674-S685 WeakPolarHBondContact CD1-O 3.36Å; L674-S685 PolarHBondContact N-O 3.47Å; L674-S685 PolarHBondContact O-N 3.38Å
686Q84.4Confident81.1Confident122 Ų12256.7 Ų56.757%0.5730%0.296SS*.EExtended strand (participates in β ladder)trans-118.1132.6177.5-66.9-165.2-1400109.7T671 F672 N673T671-Q686 HydrophobicContact CG2-CB 3.73Å; T671-Q686 HydrophobicContact CG2-CG 4.48Å; F672-Q686 WeakPolarHBondContact O-CA 3.47Å; N673-Q686 VanDerWaalsContact OD1-CD 3.24Å; N673-Q686 VanDerWaalsContact OD1-CG 3.25Å; N673-Q686 WeakPolarHBondContact OD1-CG 3.47Å; N673-Q686 PolarHBondContact OD1-NE2 2.88Å
687K86.2Confident81Confident4 Ų461.3 Ų61.32%0.01732%0.318CS..EExtended strand (participates in β ladder)trans-142.9145.9176.9-60.6-169.7-170.9-640112.7F672 L674 E691 F692 I695 F750F672-K687 WeakPolarHBondContact CB-O 2.99Å; F672-K687 PolarHBondContact N-O 2.99Å; F672-K687 PolarHBondContact O-N 3.5Å; L674-K687 HydrophobicContact CD1-CB 3.9Å; L674-K687 HydrophobicContact CD1-CD 4.48Å; L674-K687 HydrophobicContact CD1-CG 3.91Å; L674-K687 HydrophobicContact CD2-CD 4.48Å; K687-E691 WeakPolarHBondContact CA-OE2 3.48Å; K687-E691 HydrophobicContact CB-CB 4.35Å; K687-F692 HydrophobicContact CB-CD2 4.21Å; K687-F692 HydrophobicContact CB-CE2 3.79Å; K687-F692 HydrophobicContact CB-CZ 4.07Å; K687-F692 HydrophobicContact CD-CE1 4.4Å; K687-I695 HydrophobicContact CD-CD1 3.59Å; K687-F750 WeakPolarHBondContact CE-O 3.37Å; K687-F750 PolarHBondContact NZ-O 3.45Å
688T87Confident81Confident32 Ų3261.8 Ų61.820%0.19632%0.316CS..EExtended strand (participates in β ladder)trans-84.8162.517164.90000111V669 R690 E691 F692V669-T688 HydrophobicContact CG1-CG2 3.93Å; T688-R690 PolarHBondContact O-N 2.69Å; T688-E691 WeakPolarHBondContact CB-OE2 3.1Å; T688-E691 WeakPolarHBondContact CG2-OE2 3.35Å; T688-E691 PolarHBondContact N-OE2 2.83Å; T688-E691 PolarHBondContact O-N 2.87Å; T688-E691 WeakPolarHBondContact OG1-CG 3.41Å; T688-E691 PolarHBondContact OG1-N 2.88Å; T688-E691 PolarHBondContact OG1-OE2 2.75Å; T688-F692 VanDerWaalsContact O-CD2 3.23Å; T688-F692 WeakPolarHBondContact O-CD2 3.14Å; T688-F692 PolarHBondContact O-N 2.84Å; T688-F692 VanDerWaalsContact O-N 3.16Å
689F83.6Confident81.1Confident28 Ų2860.4 Ų60.412%0.12331%0.309CS..Hα-helixtrans-57.5-39.1174.9-173.7-92.8000112.4F672 E691 F692 E693 F711 M717 L728F672-F689 HydrophobicContact CE2-CB 4.37Å; F689-E691 VanDerWaalsContact C-N 3.32Å; F689-E691 PolarHBondContact O-N 2.82Å; F689-F692 WeakPolarHBondContact O-CB 3.41Å; F689-F692 PolarHBondContact O-N 3.27Å; F689-E693 PolarHBondContact O-N 3.29Å; F689-F711 HydrophobicContact CE1-CE1 4.24Å; F689-F711 HydrophobicContact CE2-CE1 4.42Å; F689-F711 HydrophobicContact CE2-CZ 4.42Å; F689-F711 AromaticContact CZ-CE1 3.81Å; F689-F711 HydrophobicContact CZ-CE1 3.81Å; F689-F711 HydrophobicContact CZ-CZ 4.22Å; F689-M717 HydrophobicContact CD1-CE 4.38Å; F689-M717 HydrophobicContact CD2-CE 3.73Å; F689-M717 HydrophobicContact CE1-CE 4.05Å; F689-M717 HydrophobicContact CE1-SD 3.9Å; F689-M717 HydrophobicContact CE2-CE 3.36Å; F689-M717 HydrophobicContact CE2-SD 4.01Å; F689-M717 HydrophobicContact CG-CE 4.24Å; F689-M717 HydrophobicContact CZ-CE 3.54Å; F689-M717 HydrophobicContact CZ-SD 3.53Å; F689-M717 VanDerWaalsContact CZ-SD 3.53Å; F689-L728 HydrophobicContact CD2-CD1 4.12Å; F689-L728 HydrophobicContact CD2-CD2 4.35Å; F689-L728 HydrophobicContact CE2-CD2 4.21Å
690R81.9Confident81.7Confident202 Ų20259.8 Ų59.876%0.76230%0.303SS*.Hα-helixtrans-64.7-35.9178.9-172173.3-178176.5-0.2112.1T688 E693 L694T688-R690 PolarHBondContact O-N 2.69Å; R690-E693 PolarHBondContact O-N 2.88Å; R690-L694 WeakPolarHBondContact O-CB 3.13Å; R690-L694 PolarHBondContact O-N 2.73Å
691E83.6Confident82.2Confident65 Ų6558.5 Ų58.530%0.30430%0.3SS..Hα-helixtrans-69.2-36.7174.2-72.1164.8126.300112.1K687 T688 F689 E693 L694 I695 P754K687-E691 WeakPolarHBondContact CA-OE2 3.48Å; K687-E691 HydrophobicContact CB-CB 4.35Å; T688-E691 WeakPolarHBondContact CB-OE2 3.1Å; T688-E691 WeakPolarHBondContact CG2-OE2 3.35Å; T688-E691 PolarHBondContact N-OE2 2.83Å; T688-E691 PolarHBondContact O-N 2.87Å; T688-E691 WeakPolarHBondContact OG1-CG 3.41Å; T688-E691 PolarHBondContact OG1-N 2.88Å; T688-E691 PolarHBondContact OG1-OE2 2.75Å; F689-E691 VanDerWaalsContact C-N 3.32Å; F689-E691 PolarHBondContact O-N 2.82Å; E691-E693 VanDerWaalsContact C-N 3.34Å; E691-L694 PolarHBondContact O-N 2.96Å; E691-I695 WeakPolarHBondContact O-CB 3.27Å; E691-I695 WeakPolarHBondContact O-CD1 3.31Å; E691-I695 WeakPolarHBondContact O-CG1 3.33Å; E691-I695 PolarHBondContact O-N 2.92Å; E691-P754 HydrophobicContact CB-CG 4.45Å; E691-P754 HydrophobicContact CG-CG 4.37Å
692F86.4Confident82.1Confident1 Ų159.3 Ų59.30%0.00429%0.292CS..Hα-helixtrans-63.7-39.5172-76.7-71.4000112.5I660 F672 L674 K687 T688 F689 I695 H696 F711 L728 L732 F750I660-F692 HydrophobicContact CD1-CE2 4.34Å; I660-F692 HydrophobicContact CD1-CZ 4.09Å; I660-F692 HydrophobicContact CG1-CZ 4.45Å; F672-F692 HydrophobicContact CB-CE2 4.24Å; F672-F692 HydrophobicContact CD2-CE2 4.14Å; F672-F692 HydrophobicContact CG-CE2 4.49Å; L674-F692 HydrophobicContact CD1-CZ 3.88Å; L674-F692 HydrophobicContact CD2-CE1 3.88Å; L674-F692 HydrophobicContact CD2-CZ 3.7Å; L674-F692 HydrophobicContact CG-CZ 4.01Å; K687-F692 HydrophobicContact CB-CD2 4.21Å; K687-F692 HydrophobicContact CB-CE2 3.79Å; K687-F692 HydrophobicContact CB-CZ 4.07Å; K687-F692 HydrophobicContact CD-CE1 4.4Å; T688-F692 VanDerWaalsContact O-CD2 3.23Å; T688-F692 WeakPolarHBondContact O-CD2 3.14Å; T688-F692 PolarHBondContact O-N 2.84Å; T688-F692 VanDerWaalsContact O-N 3.16Å; F689-F692 WeakPolarHBondContact O-CB 3.41Å; F689-F692 PolarHBondContact O-N 3.27Å; F692-I695 PolarHBondContact O-N 2.97Å; F692-H696 PolarHBondContact O-N 2.81Å; F692-F711 HydrophobicContact CB-CE2 4.04Å; F692-F711 HydrophobicContact CB-CZ 3.95Å; F692-F711 WeakPolarHBondContact O-CE2 3.24Å; F692-L728 HydrophobicContact CB-CD2 4.22Å; F692-L728 HydrophobicContact CD2-CD1 3.98Å; F692-L728 HydrophobicContact CD2-CD2 4.34Å; F692-L728 HydrophobicContact CE2-CD1 4.1Å; F692-L728 HydrophobicContact CG-CD2 4.18Å; F692-L732 HydrophobicContact CE1-CD1 4.22Å; F692-L732 HydrophobicContact CE1-CD2 4.1Å; F692-F750 HydrophobicContact CD1-CE1 4.1Å; F692-F750 AromaticContact CE1-CE1 3.94Å; F692-F750 HydrophobicContact CE1-CE1 3.94Å
693E83.9Confident81.9Confident73 Ų7355.9 Ų55.934%0.34127%0.272SS..Hα-helixtrans-64.1-44.4175.3-176.3175.4-130.900111.1F689 R690 E691 I695 H696 Q697 F711F689-E693 PolarHBondContact O-N 3.29Å; R690-E693 PolarHBondContact O-N 2.88Å; E691-E693 VanDerWaalsContact C-N 3.34Å; E693-I695 PolarHBondContact O-N 3.5Å; E693-H696 PolarHBondContact O-N 2.7Å; E693-Q697 WeakPolarHBondContact O-CG 3.32Å; E693-Q697 PolarHBondContact O-N 2.75Å; E693-F711 VanDerWaalsContact CA-CZ 3.47Å; E693-F711 HydrophobicContact CB-CE1 3.8Å; E693-F711 HydrophobicContact CB-CZ 3.93Å; E693-F711 HydrophobicContact CG-CE1 4.12Å
694L83.9Confident81.4Confident58 Ų5852.5 Ų52.530%0.30425%0.254SS..Hα-helixtrans-65.2-39176.8-170.961.8000112.1R690 E691 Q697 K698 P754R690-L694 WeakPolarHBondContact O-CB 3.13Å; R690-L694 PolarHBondContact O-N 2.73Å; E691-L694 PolarHBondContact O-N 2.96Å; L694-Q697 PolarHBondContact O-N 3.22Å; L694-K698 WeakPolarHBondContact O-CG 3.36Å; L694-K698 PolarHBondContact O-N 3.36Å; L694-P754 HydrophobicContact CB-CB 4.21Å; L694-P754 HydrophobicContact CB-CG 4.32Å; L694-P754 HydrophobicContact CD2-CB 3.52Å; L694-P754 HydrophobicContact CD2-CG 3.62Å; L694-P754 HydrophobicContact CG-CB 3.68Å; L694-P754 HydrophobicContact CG-CG 4.14Å
695I83.5Confident80.9Confident0 Ų051.7 Ų51.70%024%0.242CC..Hα-helixtrans-60.6-45.8171.5-72.7165000110K687 E691 F692 E693 Q697 K698 L699 L749 F750 P754K687-I695 HydrophobicContact CD-CD1 3.59Å; E691-I695 WeakPolarHBondContact O-CB 3.27Å; E691-I695 WeakPolarHBondContact O-CD1 3.31Å; E691-I695 WeakPolarHBondContact O-CG1 3.33Å; E691-I695 PolarHBondContact O-N 2.92Å; F692-I695 PolarHBondContact O-N 2.97Å; E693-I695 PolarHBondContact O-N 3.5Å; I695-Q697 PolarHBondContact O-N 3.01Å; I695-K698 PolarHBondContact O-N 3.13Å; I695-L699 HydrophobicContact CG2-CD1 4Å; I695-L699 HydrophobicContact CG2-CG 4.38Å; I695-L699 VanDerWaalsContact O-CG 3.29Å; I695-L699 WeakPolarHBondContact O-CG 3.17Å; I695-L699 PolarHBondContact O-N 3.11Å; I695-L749 HydrophobicContact CB-CD2 4.27Å; I695-L749 HydrophobicContact CG1-CD2 3.95Å; I695-L749 HydrophobicContact CG2-CD2 4.17Å; I695-F750 HydrophobicContact CD1-CD1 4.33Å; I695-F750 HydrophobicContact CD1-CE1 4.38Å; I695-F750 HydrophobicContact CG2-CD2 4.21Å; I695-F750 HydrophobicContact CG2-CE1 4.23Å; I695-F750 HydrophobicContact CG2-CE2 3.63Å; I695-F750 HydrophobicContact CG2-CZ 3.64Å; I695-P754 HydrophobicContact CG1-CB 4.26Å; I695-P754 HydrophobicContact CG1-CG 4.43Å
696H85.6Confident80.3Confident15 Ų1555.4 Ų55.47%0.06927%0.268CS..Hα-helixtrans-62.5-42.6177.9-173.975.8000112.3F692 E693 K698 L699 Q700 P709 F711 Y731F692-H696 PolarHBondContact O-N 2.81Å; E693-H696 PolarHBondContact O-N 2.7Å; H696-K698 VanDerWaalsContact C-N 3.31Å; H696-K698 PolarHBondContact O-N 2.93Å; H696-L699 WeakPolarHBondContact O-CB 3.15Å; H696-L699 PolarHBondContact O-N 3.34Å; H696-L699 VanDerWaalsContact O-N 3.11Å; H696-Q700 WeakPolarHBondContact O-CG 3.21Å; H696-Q700 PolarHBondContact O-N 2.75Å; H696-P709 PolarHBondContact CE1-O 2.79Å; H696-F711 HydrophobicContact CB-CB 4.41Å; H696-F711 HydrophobicContact CB-CD2 3.54Å; H696-F711 HydrophobicContact CB-CE2 3.96Å; H696-F711 HydrophobicContact CB-CG 4.01Å; H696-F711 VanDerWaalsContact CD2-CB 3.49Å; H696-F711 WeakPolarHBondContact CD2-CB 3.46Å; H696-F711 AromaticContact CD2-CG 3.97Å; H696-F711 AromaticContact CG-CD2 3.65Å; H696-F711 AromaticContact CG-CG 3.82Å; H696-F711 AromaticContact ND1-CD2 3.98Å; H696-Y731 AromaticContact ND1-CE2 3.56Å; H696-Y731 AromaticContact ND1-CZ 3.57Å; H696-Y731 PolarHBondContact ND1-OH 3.11Å
697Q82.6Confident79.8Confident97 Ų9754.5 Ų54.545%0.45326%0.262SS..Hα-helixtrans-59.2-41.8174.6-72.5173.8-1.900111.7E693 L694 I695 Q700 T701E693-Q697 WeakPolarHBondContact O-CG 3.32Å; E693-Q697 PolarHBondContact O-N 2.75Å; L694-Q697 PolarHBondContact O-N 3.22Å; I695-Q697 PolarHBondContact O-N 3.01Å; Q697-Q700 WeakPolarHBondContact O-CB 3.33Å; Q697-Q700 PolarHBondContact O-N 3.31Å; Q697-T701 PolarHBondContact O-N 2.93Å
698K81Confident79.6Confident57 Ų5755.1 Ų55.125%0.24827%0.266CS..Hα-helixtrans-65.7-36.3173.2-74.9-167.6164-154.10113L694 I695 H696 Q700 T701 Y702 L749 P754L694-K698 WeakPolarHBondContact O-CG 3.36Å; L694-K698 PolarHBondContact O-N 3.36Å; I695-K698 PolarHBondContact O-N 3.13Å; H696-K698 VanDerWaalsContact C-N 3.31Å; H696-K698 PolarHBondContact O-N 2.93Å; K698-Q700 VanDerWaalsContact C-N 3.29Å; K698-Q700 PolarHBondContact O-N 2.88Å; K698-T701 PolarHBondContact O-N 2.81Å; K698-T701 PolarHBondContact O-OG1 3.33Å; K698-Y702 PolarHBondContact O-N 2.88Å; K698-L749 HydrophobicContact CB-CD1 4.4Å; K698-L749 HydrophobicContact CB-CD2 3.81Å; K698-L749 HydrophobicContact CD-CD2 3.72Å; K698-L749 HydrophobicContact CG-CD2 4.35Å; K698-P754 HydrophobicContact CD-CB 4.33Å; K698-P754 WeakPolarHBondContact CE-O 3.44Å; K698-P754 PolarHBondContact NZ-O 3.48Å
699L81.2Confident79.3Confident0 Ų054.4 Ų54.40%026%0.261CS..Hα-helixtrans-65.4-34173.8-67.4170000111.7I695 H696 T701 Y702 F703 L708 L735 V746 L749 F750I695-L699 HydrophobicContact CG2-CD1 4Å; I695-L699 HydrophobicContact CG2-CG 4.38Å; I695-L699 VanDerWaalsContact O-CG 3.29Å; I695-L699 WeakPolarHBondContact O-CG 3.17Å; I695-L699 PolarHBondContact O-N 3.11Å; H696-L699 WeakPolarHBondContact O-CB 3.15Å; H696-L699 PolarHBondContact O-N 3.34Å; H696-L699 VanDerWaalsContact O-N 3.11Å; L699-T701 PolarHBondContact O-N 3.23Å; L699-Y702 PolarHBondContact O-N 2.8Å; L699-Y702 VanDerWaalsContact O-N 3.08Å; L699-F703 HydrophobicContact CB-CD2 4.39Å; L699-F703 HydrophobicContact CD2-CD2 4.06Å; L699-F703 HydrophobicContact CD2-CE2 3.79Å; L699-F703 WeakPolarHBondContact O-CD2 3.49Å; L699-F703 PolarHBondContact O-N 2.82Å; L699-L708 HydrophobicContact CB-CD1 4.14Å; L699-L708 HydrophobicContact CB-CD2 4.3Å; L699-L735 HydrophobicContact CD1-CD1 4.12Å; L699-L735 HydrophobicContact CD1-CD2 3.88Å; L699-V746 HydrophobicContact CD2-CB 4.44Å; L699-V746 HydrophobicContact CD2-CG1 4.28Å; L699-V746 HydrophobicContact CD2-CG2 3.7Å; L699-L749 HydrophobicContact CD2-CD1 4.28Å; L699-F750 HydrophobicContact CD1-CE2 4.36Å
700Q79.6Confident79.2Confident66 Ų6661.1 Ų61.131%0.30829%0.293SS..Hα-helixtrans-66.9-22.3175.8-69.2176.3-55.500113.2K454 H696 Q697 K698 L708K454-Q700 PolarHBondContact NZ-O 2.94Å; H696-Q700 WeakPolarHBondContact O-CG 3.21Å; H696-Q700 PolarHBondContact O-N 2.75Å; Q697-Q700 WeakPolarHBondContact O-CB 3.33Å; Q697-Q700 PolarHBondContact O-N 3.31Å; K698-Q700 VanDerWaalsContact C-N 3.29Å; K698-Q700 PolarHBondContact O-N 2.88Å; Q700-L708 HydrophobicContact CB-CD1 4.42Å; Q700-L708 HydrophobicContact CG-CD1 3.81Å
701T73.4Confident79.3Confident87 Ų8753 Ų5353%0.53426%0.264SS..Hα-helixtrans-80.7-22.3171.669.40000112.5K454 Q697 K698 L699K454-T701 WeakPolarHBondContact CE-O 3.31Å; Q697-T701 PolarHBondContact O-N 2.93Å; K698-T701 PolarHBondContact O-N 2.81Å; K698-T701 PolarHBondContact O-OG1 3.33Å; L699-T701 PolarHBondContact O-N 3.23Å
702Y70.6Confident79.1Confident51 Ų5151 Ų5120%0.226%0.256CS..Hα-helixtrans-99-26.3-178.8-95.6-110000114.8H457 K698 L699 Y745H457-Y702 HydrophobicContact CB-CD1 4.44Å; H457-Y702 AromaticContact CD2-CD1 3.99Å; H457-Y702 AromaticContact CE1-CD1 3.97Å; H457-Y702 AromaticContact CE1-CE1 3.37Å; H457-Y702 WeakPolarHBondContact CE1-CE1 3.17Å; H457-Y702 AromaticContact CG-CD1 3.87Å; H457-Y702 AromaticContact ND1-CD1 3.85Å; H457-Y702 AromaticContact ND1-CE1 3.65Å; H457-Y702 AromaticContact NE2-CE1 3.62Å; K698-Y702 PolarHBondContact O-N 2.88Å; L699-Y702 PolarHBondContact O-N 2.8Å; L699-Y702 VanDerWaalsContact O-N 3.08Å; Y702-Y745 AromaticContact CD1-CD1 3.31Å; Y702-Y745 HydrophobicContact CD1-CD1 3.31Å; Y702-Y745 HydrophobicContact CD1-CD2 4.44Å; Y702-Y745 AromaticContact CD1-CE1 3.4Å; Y702-Y745 HydrophobicContact CD1-CE1 3.4Å; Y702-Y745 AromaticContact CD1-CG 3.87Å; Y702-Y745 HydrophobicContact CD1-CG 3.87Å; Y702-Y745 HydrophobicContact CD2-CD1 4.11Å; Y702-Y745 AromaticContact CD2-CE1 3.28Å; Y702-Y745 HydrophobicContact CD2-CE1 3.28Å; Y702-Y745 HydrophobicContact CD2-CE2 4.45Å; Y702-Y745 AromaticContact CD2-CZ 3.5Å; Y702-Y745 WeakPolarHBondContact CD2-OH 3.31Å; Y702-Y745 AromaticContact CE1-CD1 3.48Å; Y702-Y745 HydrophobicContact CE1-CD1 3.48Å; Y702-Y745 VanDerWaalsContact CE1-CD1 3.48Å; Y702-Y745 AromaticContact CE1-CD2 3.75Å; Y702-Y745 HydrophobicContact CE1-CD2 3.75Å; Y702-Y745 AromaticContact CE1-CE1 3.55Å; Y702-Y745 HydrophobicContact CE1-CE1 3.55Å; Y702-Y745 AromaticContact CE1-CE2 3.82Å; Y702-Y745 HydrophobicContact CE1-CE2 3.82Å; Y702-Y745 AromaticContact CE1-CG 3.58Å; Y702-Y745 HydrophobicContact CE1-CG 3.58Å; Y702-Y745 AromaticContact CE1-CZ 3.74Å; Y702-Y745 HydrophobicContact CE2-CD1 4.31Å; Y702-Y745 AromaticContact CE2-CE1 3.5Å; Y702-Y745 HydrophobicContact CE2-CE1 3.5Å; Y702-Y745 AromaticContact CE2-CE2 3.8Å; Y702-Y745 HydrophobicContact CE2-CE2 3.8Å; Y702-Y745 AromaticContact CE2-CZ 3.21Å; Y702-Y745 WeakPolarHBondContact CE2-OH 3.44Å; Y702-Y745 AromaticContact CG-CD1 3.64Å; Y702-Y745 HydrophobicContact CG-CD1 3.64Å; Y702-Y745 AromaticContact CG-CE1 3.25Å; Y702-Y745 HydrophobicContact CG-CE1 3.25Å; Y702-Y745 AromaticContact CG-CZ 3.93Å; Y702-Y745 AromaticContact CZ-CD2 3.84Å; Y702-Y745 AromaticContact CZ-CE1 3.62Å; Y702-Y745 AromaticContact CZ-CE2 3.43Å; Y702-Y745 VanDerWaalsContact CZ-CE2 3.43Å; Y702-Y745 AromaticContact CZ-CZ 3.33Å; Y702-Y745 WeakPolarHBondContact OH-CE2 3.37Å
703F73.9Confident78Confident0 Ų053.3 Ų53.30%027%0.272CS..SBendtrans-122.1161.3-174.1-66.4-88.9000112.7M458 L699 E705 L708 V746M458-F703 HydrophobicContact CG-CD1 3.92Å; M458-F703 HydrophobicContact CG-CE1 4.41Å; L699-F703 HydrophobicContact CB-CD2 4.39Å; L699-F703 HydrophobicContact CD2-CD2 4.06Å; L699-F703 HydrophobicContact CD2-CE2 3.79Å; L699-F703 WeakPolarHBondContact O-CD2 3.49Å; L699-F703 PolarHBondContact O-N 2.82Å; F703-E705 PolarHBondContact O-N 3.25Å; F703-L708 HydrophobicContact CB-CD1 4.05Å; F703-L708 HydrophobicContact CB-CD2 3.85Å; F703-L708 HydrophobicContact CB-CG 3.87Å; F703-L708 HydrophobicContact CD2-CD2 4.25Å; F703-L708 HydrophobicContact CG-CD2 4.09Å; F703-V746 HydrophobicContact CE2-CG2 3.62Å; F703-V746 HydrophobicContact CZ-CG2 3.68Å
704I71.7Confident76.7Confident4 Ų457.6 Ų57.62%0.02129%0.286CS..  trans-64.7122.8168.3-50.6-170.8000109.3W441 M458 S706 K707 L708W441-I704 HydrophobicContact CD2-CD1 4.49Å; W441-I704 HydrophobicContact CD2-CG1 4.49Å; W441-I704 HydrophobicContact CD2-CG2 4.2Å; W441-I704 HydrophobicContact CE3-CG2 3.92Å; W441-I704 VanDerWaalsContact CH2-CA 3.47Å; W441-I704 HydrophobicContact CH2-CB 3.87Å; W441-I704 HydrophobicContact CH2-CG1 3.81Å; W441-I704 HydrophobicContact CH2-CG2 3.86Å; W441-I704 HydrophobicContact CZ2-CB 4.02Å; W441-I704 HydrophobicContact CZ2-CD1 4.08Å; W441-I704 HydrophobicContact CZ2-CG1 3.4Å; W441-I704 HydrophobicContact CZ2-CG2 4.15Å; W441-I704 HydrophobicContact CZ3-CB 4.21Å; W441-I704 HydrophobicContact CZ3-CG1 4.44Å; W441-I704 HydrophobicContact CZ3-CG2 3.66Å; M458-I704 HydrophobicContact CE-CD1 3.37Å; M458-I704 HydrophobicContact CE-CG1 3.55Å; M458-I704 HydrophobicContact SD-CB 4.41Å; M458-I704 HydrophobicContact SD-CD1 3.86Å; M458-I704 HydrophobicContact SD-CG1 3.6Å; I704-S706 VanDerWaalsContact CG2-OG 3.25Å; I704-S706 WeakPolarHBondContact CG2-OG 3.32Å; I704-S706 PolarHBondContact O-N 3.11Å; I704-S706 VanDerWaalsContact O-N 3.16Å; I704-K707 HydrophobicContact CB-CB 4.2Å; I704-K707 HydrophobicContact CB-CG 3.81Å; I704-K707 HydrophobicContact CG1-CG 4.47Å; I704-K707 HydrophobicContact CG2-CG 4.25Å; I704-K707 WeakPolarHBondContact O-CA 3.48Å; I704-K707 WeakPolarHBondContact O-CB 3.31Å; I704-K707 PolarHBondContact O-N 2.94Å; I704-L708 PolarHBondContact O-N 3.01Å
705E72.3Confident75.2Confident102 Ų10263.1 Ų63.148%0.47730%0.304SS..G310 helixtrans-52.1-40.7-179.8-73.1170.7-142.100112.8R448 F703 K707 L708R448-E705 IonicContact NH2-OE1 2.64Å; F703-E705 PolarHBondContact O-N 3.25Å; E705-K707 PolarHBondContact O-N 3.27Å; E705-L708 PolarHBondContact O-N 2.99Å
706S70.3Confident73.6Confident100 Ų10071 Ų7170%0.69934%0.338SS*.G310 helixtrans-69.5-13.4178.666.40000114.5I704I704-S706 VanDerWaalsContact CG2-OG 3.25Å; I704-S706 WeakPolarHBondContact CG2-OG 3.32Å; I704-S706 PolarHBondContact O-N 3.11Å; I704-S706 VanDerWaalsContact O-N 3.16Å
707K74.1Confident72Confident102 Ų10271.8 Ų71.844%0.44334%0.342SS..G310 helixtrans-94.3-21175.9-63.1-67.4-174.9-179.10112.1I704 E705 P739I704-K707 HydrophobicContact CB-CB 4.2Å; I704-K707 HydrophobicContact CB-CG 3.81Å; I704-K707 HydrophobicContact CG1-CG 4.47Å; I704-K707 HydrophobicContact CG2-CG 4.25Å; I704-K707 WeakPolarHBondContact O-CA 3.48Å; I704-K707 WeakPolarHBondContact O-CB 3.31Å; I704-K707 PolarHBondContact O-N 2.94Å; E705-K707 PolarHBondContact O-N 3.27Å; K707-P739 HydrophobicContact CB-CG 4.29Å; K707-P739 VanDerWaalsContact O-CG 3.3Å; K707-P739 WeakPolarHBondContact O-CG 3.45Å
708L80.3Confident70.6Confident17 Ų1768.9 Ų68.99%0.08933%0.333CS..SBendtrans-78.1144.7177-69173.1000111.1L699 Q700 F703 I704 E705 L735L699-L708 HydrophobicContact CB-CD1 4.14Å; L699-L708 HydrophobicContact CB-CD2 4.3Å; Q700-L708 HydrophobicContact CB-CD1 4.42Å; Q700-L708 HydrophobicContact CG-CD1 3.81Å; F703-L708 HydrophobicContact CB-CD1 4.05Å; F703-L708 HydrophobicContact CB-CD2 3.85Å; F703-L708 HydrophobicContact CB-CG 3.87Å; F703-L708 HydrophobicContact CD2-CD2 4.25Å; F703-L708 HydrophobicContact CG-CD2 4.09Å; I704-L708 PolarHBondContact O-N 3.01Å; E705-L708 PolarHBondContact O-N 2.99Å; L708-L735 HydrophobicContact CD2-CD1 4.09Å
709P82.6Confident69.4Low17 Ų1775.5 Ų75.511%0.1136%0.361CS..PPolyproline II helixtrans-65148.6170.227-31.8000110.5H696 F711 Y731 Q734 L735H696-P709 PolarHBondContact CE1-O 2.79Å; P709-F711 PolarHBondContact O-N 2.89Å; P709-Y731 HydrophobicContact CB-CD2 4.22Å; P709-Y731 HydrophobicContact CB-CE2 4.44Å; P709-Y731 HydrophobicContact CG-CD2 3.91Å; P709-Y731 HydrophobicContact CG-CE2 3.75Å; P709-Q734 HydrophobicContact CB-CB 3.78Å; P709-Q734 HydrophobicContact CG-CB 4.23Å; P709-L735 HydrophobicContact CG-CB 4.05Å; P709-L735 HydrophobicContact CG-CD1 3.83Å
710Q81.6Confident68.9Low170 Ų17078.9 Ų78.979%0.79438%0.382SS*.PPolyproline II helixtrans-62.5125.3176.4-79.3-167.1-6.900110.5
711F83.8Confident68.6Low32 Ų3277.2 Ų77.214%0.1438%0.377CS..PPolyproline II helixtrans-69.8141.6170.2-164.1-103000110.4F689 F692 E693 H696 P709 S713 L728 Y731F689-F711 HydrophobicContact CE1-CE1 4.24Å; F689-F711 HydrophobicContact CE2-CE1 4.42Å; F689-F711 HydrophobicContact CE2-CZ 4.42Å; F689-F711 AromaticContact CZ-CE1 3.81Å; F689-F711 HydrophobicContact CZ-CE1 3.81Å; F689-F711 HydrophobicContact CZ-CZ 4.22Å; F692-F711 HydrophobicContact CB-CE2 4.04Å; F692-F711 HydrophobicContact CB-CZ 3.95Å; F692-F711 WeakPolarHBondContact O-CE2 3.24Å; E693-F711 VanDerWaalsContact CA-CZ 3.47Å; E693-F711 HydrophobicContact CB-CE1 3.8Å; E693-F711 HydrophobicContact CB-CZ 3.93Å; E693-F711 HydrophobicContact CG-CE1 4.12Å; H696-F711 HydrophobicContact CB-CB 4.41Å; H696-F711 HydrophobicContact CB-CD2 3.54Å; H696-F711 HydrophobicContact CB-CE2 3.96Å; H696-F711 HydrophobicContact CB-CG 4.01Å; H696-F711 VanDerWaalsContact CD2-CB 3.49Å; H696-F711 WeakPolarHBondContact CD2-CB 3.46Å; H696-F711 AromaticContact CD2-CG 3.97Å; H696-F711 AromaticContact CG-CD2 3.65Å; H696-F711 AromaticContact CG-CG 3.82Å; H696-F711 AromaticContact ND1-CD2 3.98Å; P709-F711 PolarHBondContact O-N 2.89Å; F711-S713 PolarHBondContact O-N 3.3Å; F711-S713 VanDerWaalsContact O-N 3.13Å; F711-L728 HydrophobicContact CE2-CD2 4.42Å; F711-L728 HydrophobicContact CZ-CD2 4.45Å; F711-Y731 HydrophobicContact CD2-CD1 4.4Å; F711-Y731 HydrophobicContact CD2-CD2 4.21Å; F711-Y731 HydrophobicContact CD2-CE1 4.09Å; F711-Y731 AromaticContact CD2-CE2 3.87Å; F711-Y731 HydrophobicContact CD2-CE2 3.87Å; F711-Y731 HydrophobicContact CD2-CG 4.47Å; F711-Y731 AromaticContact CD2-CZ 3.82Å; F711-Y731 HydrophobicContact CE2-CD1 4.48Å; F711-Y731 HydrophobicContact CE2-CE1 4.21Å
712P78.4Confident68.9Low22 Ų2278.9 Ų78.914%0.14338%0.379CS..PPolyproline II helixtrans-58.9117.5179.3-2232.6000111.6L727 L728P712-L727 HydrophobicContact CB-CB 4.38Å; P712-L727 HydrophobicContact CG-CB 4.17Å; P712-L728 HydrophobicContact CG-CD2 4.49Å
713S64.6Low69.2Low49 Ų4982.7 Ų82.734%0.34340%0.396SS..PPolyproline II helixtrans-72.5142.2-178.566.60000112.2F711 Y715 K716F711-S713 PolarHBondContact O-N 3.3Å; F711-S713 VanDerWaalsContact O-N 3.13Å; S713-Y715 PolarHBondContact O-N 2.95Å; S713-K716 PolarHBondContact O-N 3.1Å; S713-K716 WeakPolarHBondContact OG-CG 3.26Å
714W56.5Low69.4Low164 Ų16485.9 Ų85.962%0.62141%0.409SS*.G310 helixtrans-60.3-31.6-175.975.8-100.4000113.5K716 M717W714-K716 VanDerWaalsContact C-N 3.33Å; W714-K716 PolarHBondContact O-N 3.35Å; W714-M717 WeakPolarHBondContact O-CB 3.41Å; W714-M717 PolarHBondContact O-N 3.13Å
715Y51.5Low70Confident174 Ų17488.3 Ų88.368%0.68242%0.419SS*.G310 helixtrans-71.5-19.7177.1-47-91.6000114.4S713S713-Y715 PolarHBondContact O-N 2.95Å
716K49.3Very low70.5Confident164 Ų16486.2 Ų86.271%0.71342%0.419SS*.G310 helixtrans-91.22.2176.3-74.9-178.2178.6177.90112.7S713 W714S713-K716 PolarHBondContact O-N 3.1Å; S713-K716 WeakPolarHBondContact OG-CG 3.26Å; W714-K716 VanDerWaalsContact C-N 3.33Å; W714-K716 PolarHBondContact O-N 3.35Å
717M51.9Low71.2Confident32 Ų3285.1 Ų85.116%0.15841%0.405CS..  trans-86.9115.4-175.9-63.5-177.485.200112F689 W714 R724F689-M717 HydrophobicContact CD1-CE 4.38Å; F689-M717 HydrophobicContact CD2-CE 3.73Å; F689-M717 HydrophobicContact CE1-CE 4.05Å; F689-M717 HydrophobicContact CE1-SD 3.9Å; F689-M717 HydrophobicContact CE2-CE 3.36Å; F689-M717 HydrophobicContact CE2-SD 4.01Å; F689-M717 HydrophobicContact CG-CE 4.24Å; F689-M717 HydrophobicContact CZ-CE 3.54Å; F689-M717 HydrophobicContact CZ-SD 3.53Å; F689-M717 VanDerWaalsContact CZ-SD 3.53Å; W714-M717 WeakPolarHBondContact O-CB 3.41Å; W714-M717 PolarHBondContact O-N 3.13Å; M717-R724 HydrophobicContact CE-CB 4.4Å; M717-R724 HydrophobicContact CE-CG 3.46Å; M717-R724 VanDerWaalsContact CE-CG 3.46Å
718S53.3Low71.7Confident37 Ų3780.3 Ų80.326%0.25938%0.384SS..  trans-68.7147.715652.30000111T720 K723S718-T720 PolarHBondContact O-N 2.88Å; S718-K723 VanDerWaalsContact OG-CB 3.26Å; S718-K723 WeakPolarHBondContact OG-CB 3.4Å; S718-K723 WeakPolarHBondContact OG-CD 3.41Å
719F57Low72.1Confident195 Ų19581.2 Ų81.286%0.85539%0.389SS*.SBendtrans-66.11.6-174.8-67.9-84.6000116.5
720T71.2Confident72.3Confident72 Ų7284 Ų8444%0.44241%0.406SS..  trans-96.3132-175.3610000113.3S718 Q722 K723 R724S718-T720 PolarHBondContact O-N 2.88Å; T720-Q722 VanDerWaalsContact C-N 3.27Å; T720-Q722 PolarHBondContact O-N 2.75Å; T720-K723 PolarHBondContact O-N 2.84Å; T720-R724 PolarHBondContact O-N 2.96Å
721P73.4Confident72.6Confident31 Ų3176.1 Ų76.120%0.20137%0.369CS..Hα-helixtrans-53.9-36175.8-29.836.6000114.8F663 V670 R724 K725F663-P721 HydrophobicContact CD1-CB 4.34Å; F663-P721 HydrophobicContact CD2-CB 3.67Å; F663-P721 HydrophobicContact CD2-CG 4.43Å; F663-P721 HydrophobicContact CE1-CB 4.11Å; F663-P721 HydrophobicContact CE2-CB 3.41Å; F663-P721 VanDerWaalsContact CE2-CB 3.41Å; F663-P721 HydrophobicContact CE2-CG 4.02Å; F663-P721 HydrophobicContact CG-CB 4.15Å; F663-P721 HydrophobicContact CZ-CB 3.67Å; V670-P721 HydrophobicContact CG1-CB 4.2Å; V670-P721 HydrophobicContact CG1-CG 4.46Å; V670-P721 HydrophobicContact CG2-CG 4.24Å; P721-R724 PolarHBondContact O-N 3.31Å; P721-K725 PolarHBondContact O-N 3.05Å
722Q78.3Confident72.7Confident122 Ų12274.6 Ų74.657%0.5736%0.362SS*.Hα-helixtrans-59.2-45.8176.4-96.577.1-0.900113.5F663 T720 R724 K725 A726F663-Q722 HydrophobicContact CE1-CG 4.38Å; T720-Q722 VanDerWaalsContact C-N 3.27Å; T720-Q722 PolarHBondContact O-N 2.75Å; Q722-R724 VanDerWaalsContact C-N 3.35Å; Q722-K725 WeakPolarHBondContact O-CB 3.46Å; Q722-K725 PolarHBondContact O-N 2.85Å; Q722-A726 PolarHBondContact O-N 3.07Å; Q722-A726 VanDerWaalsContact O-N 3.17Å
723K77.8Confident73Confident130 Ų13080.2 Ų80.257%0.56538%0.384SS*.Hα-helixtrans-68.4-35.9178.7-92.1-176.8173.7-1800111.5S718 T720 A726 L727S718-K723 VanDerWaalsContact OG-CB 3.26Å; S718-K723 WeakPolarHBondContact OG-CB 3.4Å; S718-K723 WeakPolarHBondContact OG-CD 3.41Å; T720-K723 PolarHBondContact O-N 2.84Å; K723-A726 PolarHBondContact O-N 3.32Å; K723-L727 PolarHBondContact O-N 3.29Å; K723-L727 VanDerWaalsContact O-N 3.16Å
724R78.1Confident74Confident68 Ų6882.9 Ų82.926%0.25739%0.391SS..Hα-helixtrans-61.2-44.7173.6-63.3-173.6178.3-165.3-11.4111.8F672 M717 T720 P721 Q722 A726 L727 L728F672-R724 HydrophobicContact CE1-CB 4.38Å; F672-R724 HydrophobicContact CZ-CB 3.85Å; M717-R724 HydrophobicContact CE-CB 4.4Å; M717-R724 HydrophobicContact CE-CG 3.46Å; M717-R724 VanDerWaalsContact CE-CG 3.46Å; T720-R724 PolarHBondContact O-N 2.96Å; P721-R724 PolarHBondContact O-N 3.31Å; Q722-R724 VanDerWaalsContact C-N 3.35Å; R724-A726 PolarHBondContact O-N 2.83Å; R724-L727 PolarHBondContact O-N 2.74Å; R724-L728 WeakPolarHBondContact O-CB 3.27Å; R724-L728 WeakPolarHBondContact O-CG 3.36Å; R724-L728 PolarHBondContact O-N 2.93Å
725K84.1Confident75.3Confident55 Ų5575 Ų7524%0.23936%0.362CS..Hα-helixtrans-57.6-45.3175.2179.9-174.3179.4-170.40112.3I660 Q661 F663 F672 P721 Q722 N729I660-K725 HydrophobicContact CB-CG 4.21Å; I660-K725 HydrophobicContact CG2-CD 4.31Å; I660-K725 HydrophobicContact CG2-CG 3.84Å; I660-K725 WeakPolarHBondContact O-CE 3.41Å; Q661-K725 WeakPolarHBondContact O-CE 3.39Å; Q661-K725 PolarHBondContact O-NZ 3.34Å; F663-K725 HydrophobicContact CD1-CD 4.36Å; F672-K725 HydrophobicContact CD1-CB 4.47Å; F672-K725 HydrophobicContact CE1-CB 4.16Å; P721-K725 PolarHBondContact O-N 3.05Å; Q722-K725 WeakPolarHBondContact O-CB 3.46Å; Q722-K725 PolarHBondContact O-N 2.85Å; K725-N729 WeakPolarHBondContact O-CB 3.28Å; K725-N729 PolarHBondContact O-N 3.42Å
726A83.3Confident76.7Confident57 Ų5767 Ų6747%0.47133%0.33SS..Hα-helixtrans-64.5-43.7-179.500000112.7Q722 K723 R724 T730Q722-A726 PolarHBondContact O-N 3.07Å; Q722-A726 VanDerWaalsContact O-N 3.17Å; K723-A726 PolarHBondContact O-N 3.32Å; R724-A726 PolarHBondContact O-N 2.83Å; A726-T730 PolarHBondContact O-N 3.06Å; A726-T730 VanDerWaalsContact O-N 3.09Å; A726-T730 PolarHBondContact O-OG1 3.02Å
727L83.8Confident78.1Confident77 Ų7763.7 Ų63.740%0.40332%0.32SS..Hα-helixtrans-65.8-45.2176.9-70.6169.9000111.9P712 K723 R724 T730 Y731P712-L727 HydrophobicContact CB-CB 4.38Å; P712-L727 HydrophobicContact CG-CB 4.17Å; K723-L727 PolarHBondContact O-N 3.29Å; K723-L727 VanDerWaalsContact O-N 3.16Å; R724-L727 PolarHBondContact O-N 2.74Å; L727-T730 WeakPolarHBondContact O-CB 3.48Å; L727-T730 PolarHBondContact O-N 3.09Å; L727-Y731 PolarHBondContact O-N 2.91Å
728L86.2Confident79.2Confident1 Ų162.9 Ų62.91%0.00532%0.32CS..Hα-helixtrans-64.3-39.9177-73.3173.3000112.2I660 F672 F689 F692 F711 P712 R724 T730 Y731 L732I660-L728 HydrophobicContact CD1-CB 3.52Å; I660-L728 HydrophobicContact CD1-CD1 3.95Å; I660-L728 HydrophobicContact CD1-CG 4.41Å; F672-L728 HydrophobicContact CD2-CD1 4.03Å; F672-L728 HydrophobicContact CE1-CD1 4.49Å; F672-L728 HydrophobicContact CE2-CD1 3.83Å; F672-L728 HydrophobicContact CG-CD1 4.45Å; F672-L728 HydrophobicContact CZ-CD1 4.08Å; F689-L728 HydrophobicContact CD2-CD1 4.12Å; F689-L728 HydrophobicContact CD2-CD2 4.35Å; F689-L728 HydrophobicContact CE2-CD2 4.21Å; F692-L728 HydrophobicContact CB-CD2 4.22Å; F692-L728 HydrophobicContact CD2-CD1 3.98Å; F692-L728 HydrophobicContact CD2-CD2 4.34Å; F692-L728 HydrophobicContact CE2-CD1 4.1Å; F692-L728 HydrophobicContact CG-CD2 4.18Å; F711-L728 HydrophobicContact CE2-CD2 4.42Å; F711-L728 HydrophobicContact CZ-CD2 4.45Å; P712-L728 HydrophobicContact CG-CD2 4.49Å; R724-L728 WeakPolarHBondContact O-CB 3.27Å; R724-L728 WeakPolarHBondContact O-CG 3.36Å; R724-L728 PolarHBondContact O-N 2.93Å; L728-T730 VanDerWaalsContact C-N 3.29Å; L728-T730 PolarHBondContact O-N 3.03Å; L728-Y731 PolarHBondContact O-N 3.34Å; L728-L732 WeakPolarHBondContact O-CB 3.17Å; L728-L732 VanDerWaalsContact O-CG 3.22Å; L728-L732 WeakPolarHBondContact O-CG 3.25Å; L728-L732 PolarHBondContact O-N 3.14Å
729N87.8Confident79.7Confident36 Ų3662.8 Ų62.819%0.19332%0.319CS..Hα-helixtrans-63.7-34.7174.1-87.4-26.7000112.5I660 K725 K733I660-N729 WeakPolarHBondContact CB-OD1 3.26Å; I660-N729 PolarHBondContact N-OD1 3.26Å; I660-N729 PolarHBondContact O-ND2 3.17Å; K725-N729 WeakPolarHBondContact O-CB 3.28Å; K725-N729 PolarHBondContact O-N 3.42Å; N729-K733 VanDerWaalsContact O-CB 3.31Å; N729-K733 WeakPolarHBondContact O-CB 3.46Å; N729-K733 PolarHBondContact O-N 2.79Å
730T86.2Confident80.3Confident76 Ų7653.5 Ų53.547%0.46628%0.278SS..Hα-helixtrans-66.9-46.2174.3-55.10000110.8A726 L727 L728 K733 Q734A726-T730 PolarHBondContact O-N 3.06Å; A726-T730 VanDerWaalsContact O-N 3.09Å; A726-T730 PolarHBondContact O-OG1 3.02Å; L727-T730 WeakPolarHBondContact O-CB 3.48Å; L727-T730 PolarHBondContact O-N 3.09Å; L728-T730 VanDerWaalsContact C-N 3.29Å; L728-T730 PolarHBondContact O-N 3.03Å; T730-K733 PolarHBondContact O-N 3.23Å; T730-Q734 WeakPolarHBondContact O-CG 3.39Å; T730-Q734 PolarHBondContact O-N 2.8Å
731Y87.9Confident80.5Confident4 Ų454.1 Ų54.12%0.01627%0.274CS..Hα-helixtrans-58.3-49.8174.5167.6-99000111.8H696 P709 F711 L727 L728 K733 Q734 L735H696-Y731 AromaticContact ND1-CE2 3.56Å; H696-Y731 AromaticContact ND1-CZ 3.57Å; H696-Y731 PolarHBondContact ND1-OH 3.11Å; P709-Y731 HydrophobicContact CB-CD2 4.22Å; P709-Y731 HydrophobicContact CB-CE2 4.44Å; P709-Y731 HydrophobicContact CG-CD2 3.91Å; P709-Y731 HydrophobicContact CG-CE2 3.75Å; F711-Y731 HydrophobicContact CD2-CD1 4.4Å; F711-Y731 HydrophobicContact CD2-CD2 4.21Å; F711-Y731 HydrophobicContact CD2-CE1 4.09Å; F711-Y731 AromaticContact CD2-CE2 3.87Å; F711-Y731 HydrophobicContact CD2-CE2 3.87Å; F711-Y731 HydrophobicContact CD2-CG 4.47Å; F711-Y731 AromaticContact CD2-CZ 3.82Å; F711-Y731 HydrophobicContact CE2-CD1 4.48Å; F711-Y731 HydrophobicContact CE2-CE1 4.21Å; L727-Y731 PolarHBondContact O-N 2.91Å; L728-Y731 PolarHBondContact O-N 3.34Å; Y731-K733 PolarHBondContact O-N 3.24Å; Y731-Q734 PolarHBondContact O-N 3.37Å; Y731-L735 HydrophobicContact CE1-CD2 4.06Å; Y731-L735 WeakPolarHBondContact O-CB 3.18Å; Y731-L735 PolarHBondContact O-N 3.37Å
732L86.9Confident80.3Confident1 Ų153 Ų531%0.00527%0.269CS..Hα-helixtrans-61.1-43.1179.4-71.2167.8000111.8V658 I660 F692 L728 L735 F736 F750V658-L732 HydrophobicContact CB-CD2 4.49Å; V658-L732 HydrophobicContact CG1-CD1 4.01Å; V658-L732 HydrophobicContact CG1-CD2 4.2Å; I660-L732 HydrophobicContact CD1-CD1 4Å; I660-L732 HydrophobicContact CG1-CD1 3.91Å; F692-L732 HydrophobicContact CE1-CD1 4.22Å; F692-L732 HydrophobicContact CE1-CD2 4.1Å; L728-L732 WeakPolarHBondContact O-CB 3.17Å; L728-L732 VanDerWaalsContact O-CG 3.22Å; L728-L732 WeakPolarHBondContact O-CG 3.25Å; L728-L732 PolarHBondContact O-N 3.14Å; L732-L735 PolarHBondContact O-N 2.85Å; L732-F736 HydrophobicContact CD2-CE2 4.08Å; L732-F736 VanDerWaalsContact O-CD2 3.32Å; L732-F736 WeakPolarHBondContact O-CD2 3.31Å; L732-F736 PolarHBondContact O-N 2.89Å; L732-F750 HydrophobicContact CD2-CD1 4.44Å; L732-F750 HydrophobicContact CD2-CE1 3.52Å; L732-F750 HydrophobicContact CD2-CZ 3.86Å
733K85.1Confident80.1Confident140 Ų14047.5 Ų47.561%0.60924%0.243SC*.Hα-helixtrans-59.4-49.7174.9-174.3178.4-179-174.40111N729 T730 Y731 L735 F736 D737N729-K733 VanDerWaalsContact O-CB 3.31Å; N729-K733 WeakPolarHBondContact O-CB 3.46Å; N729-K733 PolarHBondContact O-N 2.79Å; T730-K733 PolarHBondContact O-N 3.23Å; Y731-K733 PolarHBondContact O-N 3.24Å; K733-L735 VanDerWaalsContact C-N 3.27Å; K733-L735 PolarHBondContact O-N 3.3Å; K733-F736 PolarHBondContact O-N 2.82Å; K733-D737 WeakPolarHBondContact CE-OD2 3.33Å; K733-D737 WeakPolarHBondContact CG-OD2 3.43Å; K733-D737 WeakPolarHBondContact O-CB 3.46Å; K733-D737 VanDerWaalsContact O-CG 3.3Å; K733-D737 PolarHBondContact O-N 2.88Å
734Q84.3Confident79.9Confident104 Ų10444.5 Ų44.549%0.48623%0.231SC..Hα-helixtrans-63.7-32.5178.4-70.1175.2-6.200113P709 T730 Y731 G738P709-Q734 HydrophobicContact CB-CB 3.78Å; P709-Q734 HydrophobicContact CG-CB 4.23Å; T730-Q734 WeakPolarHBondContact O-CG 3.39Å; T730-Q734 PolarHBondContact O-N 2.8Å; Y731-Q734 PolarHBondContact O-N 3.37Å; Q734-G738 WeakPolarHBondContact O-CA 3.27Å; Q734-G738 PolarHBondContact O-N 2.77Å; Q734-G738 VanDerWaalsContact O-N 3.14Å
735L83.6Confident79.8Confident0 Ų043.1 Ų43.10%023%0.226CC..Hα-helixtrans-69.8-50179-169.170.8000111.3L699 L708 P709 Y731 L732 K733 G738 C740 F750L699-L735 HydrophobicContact CD1-CD1 4.12Å; L699-L735 HydrophobicContact CD1-CD2 3.88Å; L708-L735 HydrophobicContact CD2-CD1 4.09Å; P709-L735 HydrophobicContact CG-CB 4.05Å; P709-L735 HydrophobicContact CG-CD1 3.83Å; Y731-L735 HydrophobicContact CE1-CD2 4.06Å; Y731-L735 WeakPolarHBondContact O-CB 3.18Å; Y731-L735 PolarHBondContact O-N 3.37Å; L732-L735 PolarHBondContact O-N 2.85Å; K733-L735 VanDerWaalsContact C-N 3.27Å; K733-L735 PolarHBondContact O-N 3.3Å; L735-G738 PolarHBondContact O-N 3.14Å; L735-C740 HydrophobicContact CD1-CB 4.1Å; L735-C740 VanDerWaalsContact CD1-SG 3.59Å; L735-C740 HydrophobicContact CG-CB 4.05Å; L735-C740 WeakPolarHBondContact O-CB 3.26Å; L735-F750 HydrophobicContact CD2-CE2 3.68Å; L735-F750 HydrophobicContact CD2-CZ 3.65Å
736F81.9Confident79.5Confident4 Ų440.5 Ų40.52%0.01822%0.215CC..Hα-helixtrans-85.4-15.3-176.8-71.4-75.5000114.4I655 V658 L732 K733 G738 K741 V746 F750I655-F736 HydrophobicContact CB-CD1 4.19Å; I655-F736 HydrophobicContact CB-CE1 3.84Å; I655-F736 HydrophobicContact CD1-CE1 4.16Å; I655-F736 HydrophobicContact CD1-CZ 4.24Å; I655-F736 HydrophobicContact CG2-CD1 3.73Å; I655-F736 HydrophobicContact CG2-CE1 3.56Å; I655-F736 HydrophobicContact CG2-CG 4.33Å; I655-F736 HydrophobicContact CG2-CZ 4.03Å; V658-F736 HydrophobicContact CB-CD2 3.96Å; V658-F736 HydrophobicContact CB-CE2 3.86Å; V658-F736 HydrophobicContact CG2-CD2 3.63Å; V658-F736 HydrophobicContact CG2-CE1 4.26Å; V658-F736 HydrophobicContact CG2-CE2 3.29Å; V658-F736 HydrophobicContact CG2-CG 4.27Å; V658-F736 HydrophobicContact CG2-CZ 3.64Å; L732-F736 HydrophobicContact CD2-CE2 4.08Å; L732-F736 VanDerWaalsContact O-CD2 3.32Å; L732-F736 WeakPolarHBondContact O-CD2 3.31Å; L732-F736 PolarHBondContact O-N 2.89Å; K733-F736 PolarHBondContact O-N 2.82Å; F736-G738 VanDerWaalsContact C-N 3.32Å; F736-K741 WeakPolarHBondContact O-CB 3.31Å; F736-K741 WeakPolarHBondContact O-CD 3.27Å; F736-K741 WeakPolarHBondContact O-CG 3.32Å; F736-V746 HydrophobicContact CE1-CG1 3.96Å; F736-V746 HydrophobicContact CZ-CG1 4.06Å; F736-F750 HydrophobicContact CE2-CD2 4.31Å; F736-F750 HydrophobicContact CE2-CE1 4.47Å; F736-F750 HydrophobicContact CE2-CE2 4.12Å; F736-F750 HydrophobicContact CE2-CZ 4.21Å; F736-F750 AromaticContact CZ-CD2 3.7Å; F736-F750 HydrophobicContact CZ-CD2 3.7Å; F736-F750 AromaticContact CZ-CE2 3.87Å; F736-F750 HydrophobicContact CZ-CE2 3.87Å; F736-F750 HydrophobicContact CZ-CG 4.08Å; F736-F750 HydrophobicContact CZ-CZ 4.39Å
737D79.4Confident79.1Confident96 Ų9638 Ų3851%0.51319%0.193SC..THydrogen-bonded Turntrans-87.4-8164-66.8-23.9000111.7K733K733-D737 WeakPolarHBondContact CE-OD2 3.33Å; K733-D737 WeakPolarHBondContact CG-OD2 3.43Å; K733-D737 WeakPolarHBondContact O-CB 3.46Å; K733-D737 VanDerWaalsContact O-CG 3.3Å; K733-D737 PolarHBondContact O-N 2.88Å
738G73Confident78.6Confident14 Ų1435.6 Ų35.614%0.14418%0.184CC..THydrogen-bonded Turntrans-101.2-148.1-17200000114.8Q734 L735 F736 C740 K741Q734-G738 WeakPolarHBondContact O-CA 3.27Å; Q734-G738 PolarHBondContact O-N 2.77Å; Q734-G738 VanDerWaalsContact O-N 3.14Å; L735-G738 PolarHBondContact O-N 3.14Å; F736-G738 VanDerWaalsContact C-N 3.32Å; G738-C740 VanDerWaalsContact C-N 3.27Å; G738-C740 PolarHBondContact O-N 2.95Å; G738-K741 PolarHBondContact O-N 2.75Å
739P64.3Low78.2Confident36 Ų3635.8 Ų35.823%0.23418%0.184CC..THydrogen-bonded Turntrans-69.9-20.7-175.530-35.8000113.9K707 K741K707-P739 HydrophobicContact CB-CG 4.29Å; K707-P739 VanDerWaalsContact O-CG 3.3Å; K707-P739 WeakPolarHBondContact O-CG 3.45Å; P739-K741 VanDerWaalsContact C-N 3.28Å; P739-K741 PolarHBondContact O-N 3.45Å
740C70.8Confident77.7Confident0 Ų034 Ų340%018%0.175CC..THydrogen-bonded Turntrans-863.7-178.3-60.90000113.4L735 G738 G742 D743 V746L735-C740 HydrophobicContact CD1-CB 4.1Å; L735-C740 VanDerWaalsContact CD1-SG 3.59Å; L735-C740 HydrophobicContact CG-CB 4.05Å; L735-C740 WeakPolarHBondContact O-CB 3.26Å; G738-C740 VanDerWaalsContact C-N 3.27Å; G738-C740 PolarHBondContact O-N 2.95Å; C740-G742 PolarHBondContact O-N 3.24Å; C740-D743 PolarHBondContact O-N 3.36Å; C740-V746 HydrophobicContact CB-CB 4.48Å; C740-V746 HydrophobicContact CB-CG1 4.11Å; C740-V746 HydrophobicContact CB-CG2 3.9Å
741K75.1Confident77.2Confident84 Ų8433 Ų3337%0.36517%0.167SC..THydrogen-bonded Turntrans-65.6120.9-178.2-173.1171.8-179169.80111.4R461 F736 G738 P739 D743R461-K741 PolarHBondContact NH1-O 2.8Å; F736-K741 WeakPolarHBondContact O-CB 3.31Å; F736-K741 WeakPolarHBondContact O-CD 3.27Å; F736-K741 WeakPolarHBondContact O-CG 3.32Å; G738-K741 PolarHBondContact O-N 2.75Å; P739-K741 VanDerWaalsContact C-N 3.28Å; P739-K741 PolarHBondContact O-N 3.45Å; K741-D743 VanDerWaalsContact C-N 3.32Å
742G68.8Low76.4Confident8 Ų838.1 Ų38.18%0.08219%0.194CC..THydrogen-bonded Turntrans6830.217700000113.6R461 N654 C740R461-G742 WeakPolarHBondContact CB-O 3.3Å; R461-G742 WeakPolarHBondContact CD-O 3.39Å; N654-G742 VanDerWaalsContact OD1-C 3.24Å; N654-G742 WeakPolarHBondContact OD1-CA 3.21Å; N654-G742 PolarHBondContact OD1-O 2.88Å; N654-G742 VanDerWaalsContact OD1-O 3.04Å; C740-G742 PolarHBondContact O-N 3.24Å
743D74.6Confident75.4Confident7 Ų738.6 Ų38.64%0.03720%0.199CC..  trans-95.6121.1173.8-175.7-64.2000109.7C740 K741 Y745 V746 C747C740-D743 PolarHBondContact O-N 3.36Å; K741-D743 VanDerWaalsContact C-N 3.32Å; D743-Y745 VanDerWaalsContact C-N 3.34Å; D743-Y745 PolarHBondContact O-N 3.31Å; D743-Y745 WeakPolarHBondContact OD1-CA 3.29Å; D743-Y745 WeakPolarHBondContact OD1-CB 3.18Å; D743-Y745 PolarHBondContact OD1-N 3.08Å; D743-V746 HydrophobicContact CB-CB 4.05Å; D743-V746 HydrophobicContact CB-CG2 3.72Å; D743-V746 WeakPolarHBondContact O-CB 3.37Å; D743-V746 PolarHBondContact O-N 3.27Å; D743-V746 PolarHBondContact OD1-N 3.2Å; D743-C747 PolarHBondContact O-N 3.11Å; D743-C747 PolarHBondContact O-SG 3.04Å
744E73.9Confident74.3Confident67 Ų6732.1 Ų32.131%0.31317%0.171SC..Hα-helixtrans-64.4-35.8-174.7-171-172170.600112.4R461 T462 K463 C747 S748R461-E744 WeakPolarHBondContact O-CB 3.48Å; R461-E744 PolarHBondContact O-N 3.1Å; T462-E744 VanDerWaalsContact CA-OE2 3.31Å; T462-E744 WeakPolarHBondContact CA-OE2 3.4Å; K463-E744 PolarHBondContact N-OE2 3.17Å; E744-C747 WeakPolarHBondContact O-CB 3.18Å; E744-C747 PolarHBondContact O-N 2.74Å; E744-S748 PolarHBondContact O-N 2.95Å; E744-S748 PolarHBondContact O-OG 3.21Å
745Y74.9Confident72.9Confident39 Ų3933.4 Ų33.415%0.15318%0.182CC..Hα-helixtrans-67.7-41.3176.7177-102.6000110.9Y702 D743 C747 S748 L749 I757Y702-Y745 AromaticContact CD1-CD1 3.31Å; Y702-Y745 HydrophobicContact CD1-CD1 3.31Å; Y702-Y745 HydrophobicContact CD1-CD2 4.44Å; Y702-Y745 AromaticContact CD1-CE1 3.4Å; Y702-Y745 HydrophobicContact CD1-CE1 3.4Å; Y702-Y745 AromaticContact CD1-CG 3.87Å; Y702-Y745 HydrophobicContact CD1-CG 3.87Å; Y702-Y745 HydrophobicContact CD2-CD1 4.11Å; Y702-Y745 AromaticContact CD2-CE1 3.28Å; Y702-Y745 HydrophobicContact CD2-CE1 3.28Å; Y702-Y745 HydrophobicContact CD2-CE2 4.45Å; Y702-Y745 AromaticContact CD2-CZ 3.5Å; Y702-Y745 WeakPolarHBondContact CD2-OH 3.31Å; Y702-Y745 AromaticContact CE1-CD1 3.48Å; Y702-Y745 HydrophobicContact CE1-CD1 3.48Å; Y702-Y745 VanDerWaalsContact CE1-CD1 3.48Å; Y702-Y745 AromaticContact CE1-CD2 3.75Å; Y702-Y745 HydrophobicContact CE1-CD2 3.75Å; Y702-Y745 AromaticContact CE1-CE1 3.55Å; Y702-Y745 HydrophobicContact CE1-CE1 3.55Å; Y702-Y745 AromaticContact CE1-CE2 3.82Å; Y702-Y745 HydrophobicContact CE1-CE2 3.82Å; Y702-Y745 AromaticContact CE1-CG 3.58Å; Y702-Y745 HydrophobicContact CE1-CG 3.58Å; Y702-Y745 AromaticContact CE1-CZ 3.74Å; Y702-Y745 HydrophobicContact CE2-CD1 4.31Å; Y702-Y745 AromaticContact CE2-CE1 3.5Å; Y702-Y745 HydrophobicContact CE2-CE1 3.5Å; Y702-Y745 AromaticContact CE2-CE2 3.8Å; Y702-Y745 HydrophobicContact CE2-CE2 3.8Å; Y702-Y745 AromaticContact CE2-CZ 3.21Å; Y702-Y745 WeakPolarHBondContact CE2-OH 3.44Å; Y702-Y745 AromaticContact CG-CD1 3.64Å; Y702-Y745 HydrophobicContact CG-CD1 3.64Å; Y702-Y745 AromaticContact CG-CE1 3.25Å; Y702-Y745 HydrophobicContact CG-CE1 3.25Å; Y702-Y745 AromaticContact CG-CZ 3.93Å; Y702-Y745 AromaticContact CZ-CD2 3.84Å; Y702-Y745 AromaticContact CZ-CE1 3.62Å; Y702-Y745 AromaticContact CZ-CE2 3.43Å; Y702-Y745 VanDerWaalsContact CZ-CE2 3.43Å; Y702-Y745 AromaticContact CZ-CZ 3.33Å; Y702-Y745 WeakPolarHBondContact OH-CE2 3.37Å; D743-Y745 VanDerWaalsContact C-N 3.34Å; D743-Y745 PolarHBondContact O-N 3.31Å; D743-Y745 WeakPolarHBondContact OD1-CA 3.29Å; D743-Y745 WeakPolarHBondContact OD1-CB 3.18Å; D743-Y745 PolarHBondContact OD1-N 3.08Å; Y745-C747 VanDerWaalsContact C-N 3.28Å; Y745-C747 PolarHBondContact O-N 2.62Å; Y745-S748 PolarHBondContact O-N 3.08Å; Y745-S748 PolarHBondContact O-OG 3.25Å; Y745-L749 HydrophobicContact CD1-CD1 3.58Å; Y745-L749 HydrophobicContact CE1-CD1 3.05Å; Y745-L749 HydrophobicContact CE1-CG 4.36Å; Y745-L749 HydrophobicContact CE2-CD1 4.16Å; Y745-L749 HydrophobicContact CG-CD1 4.3Å; Y745-L749 WeakPolarHBondContact O-CB 3.5Å; Y745-L749 PolarHBondContact O-N 3.2Å; Y745-I757 HydrophobicContact CD2-CD1 4.22Å; Y745-I757 HydrophobicContact CE2-CD1 3.69Å
746V76.9Confident71.2Confident0 Ų036 Ų360%020%0.203CC..Hα-helixtrans-61.4-42.3171.6-177.30000109.8L699 F703 F736 C740 D743 L749 F750L699-V746 HydrophobicContact CD2-CB 4.44Å; L699-V746 HydrophobicContact CD2-CG1 4.28Å; L699-V746 HydrophobicContact CD2-CG2 3.7Å; F703-V746 HydrophobicContact CE2-CG2 3.62Å; F703-V746 HydrophobicContact CZ-CG2 3.68Å; F736-V746 HydrophobicContact CE1-CG1 3.96Å; F736-V746 HydrophobicContact CZ-CG1 4.06Å; C740-V746 HydrophobicContact CB-CB 4.48Å; C740-V746 HydrophobicContact CB-CG1 4.11Å; C740-V746 HydrophobicContact CB-CG2 3.9Å; D743-V746 HydrophobicContact CB-CB 4.05Å; D743-V746 HydrophobicContact CB-CG2 3.72Å; D743-V746 WeakPolarHBondContact O-CB 3.37Å; D743-V746 PolarHBondContact O-N 3.27Å; D743-V746 PolarHBondContact OD1-N 3.2Å; V746-L749 WeakPolarHBondContact O-CB 3.46Å; V746-L749 PolarHBondContact O-N 2.87Å; V746-F750 HydrophobicContact CG1-CD2 3.87Å; V746-F750 HydrophobicContact CG1-CE2 3.91Å; V746-F750 VanDerWaalsContact O-CD2 3.29Å; V746-F750 WeakPolarHBondContact O-CD2 3.29Å; V746-F750 PolarHBondContact O-N 2.99Å; V746-F750 VanDerWaalsContact O-N 3.15Å
747C75.1Confident69.3Low3 Ų340.4 Ų40.42%0.0223%0.226CC..Hα-helixtrans-60.7-48.3178.3-630000112.2I655 D743 E744 Y745 L749 F750 L751I655-C747 HydrophobicContact CD1-CB 3.88Å; I655-C747 HydrophobicContact CG1-CB 4.06Å; I655-C747 VanDerWaalsContact CG1-SG 3.51Å; D743-C747 PolarHBondContact O-N 3.11Å; D743-C747 PolarHBondContact O-SG 3.04Å; E744-C747 WeakPolarHBondContact O-CB 3.18Å; E744-C747 PolarHBondContact O-N 2.74Å; Y745-C747 VanDerWaalsContact C-N 3.28Å; Y745-C747 PolarHBondContact O-N 2.62Å; C747-L749 PolarHBondContact O-N 3.45Å; C747-F750 PolarHBondContact O-N 2.82Å; C747-L751 WeakPolarHBondContact O-CB 3.3Å; C747-L751 VanDerWaalsContact O-CG 3.29Å; C747-L751 WeakPolarHBondContact O-CG 3.46Å; C747-L751 PolarHBondContact O-N 3Å
748S74.9Confident67.2Low28 Ų2841.3 Ų41.320%0.19624%0.235CC..Hα-helixtrans-63.4-39.5177.560.80000112.7E744 Y745 F750 L751 D752E744-S748 PolarHBondContact O-N 2.95Å; E744-S748 PolarHBondContact O-OG 3.21Å; Y745-S748 PolarHBondContact O-N 3.08Å; Y745-S748 PolarHBondContact O-OG 3.25Å; S748-F750 VanDerWaalsContact C-N 3.26Å; S748-F750 PolarHBondContact O-N 3.15Å; S748-L751 PolarHBondContact O-N 3.02Å; S748-D752 VanDerWaalsContact CB-OD2 3.32Å; S748-D752 WeakPolarHBondContact CB-OD2 3.35Å; S748-D752 WeakPolarHBondContact O-CA 3.3Å; S748-D752 WeakPolarHBondContact O-CB 3.48Å; S748-D752 PolarHBondContact O-N 3.02Å
749L77.4Confident65.1Low4 Ų448.3 Ų48.32%0.02127%0.269CS..Hα-helixtrans-56.2-39.8172.8-102.9146.4000113.3I695 K698 L699 Y745 V746 C747 G753I695-L749 HydrophobicContact CB-CD2 4.27Å; I695-L749 HydrophobicContact CG1-CD2 3.95Å; I695-L749 HydrophobicContact CG2-CD2 4.17Å; K698-L749 HydrophobicContact CB-CD1 4.4Å; K698-L749 HydrophobicContact CB-CD2 3.81Å; K698-L749 HydrophobicContact CD-CD2 3.72Å; K698-L749 HydrophobicContact CG-CD2 4.35Å; L699-L749 HydrophobicContact CD2-CD1 4.28Å; Y745-L749 HydrophobicContact CD1-CD1 3.58Å; Y745-L749 HydrophobicContact CE1-CD1 3.05Å; Y745-L749 HydrophobicContact CE1-CG 4.36Å; Y745-L749 HydrophobicContact CE2-CD1 4.16Å; Y745-L749 HydrophobicContact CG-CD1 4.3Å; Y745-L749 WeakPolarHBondContact O-CB 3.5Å; Y745-L749 PolarHBondContact O-N 3.2Å; V746-L749 WeakPolarHBondContact O-CB 3.46Å; V746-L749 PolarHBondContact O-N 2.87Å; C747-L749 PolarHBondContact O-N 3.45Å; L749-G753 VanDerWaalsContact O-CA 3.3Å; L749-G753 WeakPolarHBondContact O-CA 3.4Å; L749-G753 PolarHBondContact O-N 3.17Å
750F77.3Confident63.5Low0 Ų052.4 Ų52.40%029%0.293CS..Hα-helixtrans-82.7-30.9179.4-82.9-85.5000113.1I655 L674 K687 F692 I695 L699 L732 L735 F736 V746 C747 S748I655-F750 HydrophobicContact CD1-CB 4.25Å; L674-F750 HydrophobicContact CD2-CD1 4.43Å; K687-F750 WeakPolarHBondContact CE-O 3.37Å; K687-F750 PolarHBondContact NZ-O 3.45Å; F692-F750 HydrophobicContact CD1-CE1 4.1Å; F692-F750 AromaticContact CE1-CE1 3.94Å; F692-F750 HydrophobicContact CE1-CE1 3.94Å; I695-F750 HydrophobicContact CD1-CD1 4.33Å; I695-F750 HydrophobicContact CD1-CE1 4.38Å; I695-F750 HydrophobicContact CG2-CD2 4.21Å; I695-F750 HydrophobicContact CG2-CE1 4.23Å; I695-F750 HydrophobicContact CG2-CE2 3.63Å; I695-F750 HydrophobicContact CG2-CZ 3.64Å; L699-F750 HydrophobicContact CD1-CE2 4.36Å; L732-F750 HydrophobicContact CD2-CD1 4.44Å; L732-F750 HydrophobicContact CD2-CE1 3.52Å; L732-F750 HydrophobicContact CD2-CZ 3.86Å; L735-F750 HydrophobicContact CD2-CE2 3.68Å; L735-F750 HydrophobicContact CD2-CZ 3.65Å; F736-F750 HydrophobicContact CE2-CD2 4.31Å; F736-F750 HydrophobicContact CE2-CE1 4.47Å; F736-F750 HydrophobicContact CE2-CE2 4.12Å; F736-F750 HydrophobicContact CE2-CZ 4.21Å; F736-F750 AromaticContact CZ-CD2 3.7Å; F736-F750 HydrophobicContact CZ-CD2 3.7Å; F736-F750 AromaticContact CZ-CE2 3.87Å; F736-F750 HydrophobicContact CZ-CE2 3.87Å; F736-F750 HydrophobicContact CZ-CG 4.08Å; F736-F750 HydrophobicContact CZ-CZ 4.39Å; V746-F750 HydrophobicContact CG1-CD2 3.87Å; V746-F750 HydrophobicContact CG1-CE2 3.91Å; V746-F750 VanDerWaalsContact O-CD2 3.29Å; V746-F750 WeakPolarHBondContact O-CD2 3.29Å; V746-F750 PolarHBondContact O-N 2.99Å; V746-F750 VanDerWaalsContact O-N 3.15Å; C747-F750 PolarHBondContact O-N 2.82Å; S748-F750 VanDerWaalsContact C-N 3.26Å; S748-F750 PolarHBondContact O-N 3.15Å
751L75.7Confident61.7Low55 Ų5555.9 Ų55.929%0.28833%0.329SS..Hα-helixtrans-82.8-54.6178.9-67.2172.7000111.9I655 I676 L683 C747 S748I655-L751 HydrophobicContact CD1-CG 4.5Å; I676-L751 HydrophobicContact CD1-CD2 3.71Å; I676-L751 HydrophobicContact CG2-CD2 4.4Å; L683-L751 HydrophobicContact CD1-CD1 4.45Å; L683-L751 HydrophobicContact CD1-CD2 3.72Å; C747-L751 WeakPolarHBondContact O-CB 3.3Å; C747-L751 VanDerWaalsContact O-CG 3.29Å; C747-L751 WeakPolarHBondContact O-CG 3.46Å; C747-L751 PolarHBondContact O-N 3Å; S748-L751 PolarHBondContact O-N 3.02Å
752D70.9Confident59.6Low110 Ų11057.6 Ų57.659%0.58835%0.347SS*.THydrogen-bonded Turntrans-88.8-19.1-171.6-48.9-40.2000112.5S748 A756S748-D752 VanDerWaalsContact CB-OD2 3.32Å; S748-D752 WeakPolarHBondContact CB-OD2 3.35Å; S748-D752 WeakPolarHBondContact O-CA 3.3Å; S748-D752 WeakPolarHBondContact O-CB 3.48Å; S748-D752 PolarHBondContact O-N 3.02Å; D752-A756 HydrophobicContact CB-CB 3.53Å
753G66.2Low58.4Low11 Ų1160.9 Ų60.911%0.11338%0.381CS..  trans88.6167.3177.100000114.2L749 N755 A756L749-G753 VanDerWaalsContact O-CA 3.3Å; L749-G753 WeakPolarHBondContact O-CA 3.4Å; L749-G753 PolarHBondContact O-N 3.17Å; G753-N755 PolarHBondContact O-N 3.19Å; G753-A756 PolarHBondContact O-N 2.87Å
754P61.5Low57.5Low4 Ų465.3 Ų65.33%0.02641%0.405CS..THydrogen-bonded Turntrans-69.3-7.9-169.727-34.5000114.4E691 L694 I695 K698E691-P754 HydrophobicContact CB-CG 4.45Å; E691-P754 HydrophobicContact CG-CG 4.37Å; L694-P754 HydrophobicContact CB-CB 4.21Å; L694-P754 HydrophobicContact CB-CG 4.32Å; L694-P754 HydrophobicContact CD2-CB 3.52Å; L694-P754 HydrophobicContact CD2-CG 3.62Å; L694-P754 HydrophobicContact CG-CB 3.68Å; L694-P754 HydrophobicContact CG-CG 4.14Å; I695-P754 HydrophobicContact CG1-CB 4.26Å; I695-P754 HydrophobicContact CG1-CG 4.43Å; K698-P754 HydrophobicContact CD-CB 4.33Å; K698-P754 WeakPolarHBondContact CE-O 3.44Å; K698-P754 PolarHBondContact NZ-O 3.48Å
755N55.7Low57.5Low132 Ų13268 Ų6871%0.70642%0.421SS*.THydrogen-bonded Turntrans-104-2-178.4-64.9-19.4000113.9G753 I757G753-N755 PolarHBondContact O-N 3.19Å; N755-I757 PolarHBondContact O-N 3.32Å
756A47.1Very low58Low54 Ų5468 Ų6845%0.44643%0.426SS..  trans-83.7-0.3-167.800000115.9D752 G753D752-A756 HydrophobicContact CB-CB 3.53Å; G753-A756 PolarHBondContact O-N 2.87Å
757I42.7Very low58.6Low97 Ų9770.9 Ų70.950%0.49744%0.439SS..  trans-11679.8176.5-50173.7000108.8Y745 N755Y745-I757 HydrophobicContact CD2-CD1 4.22Å; Y745-I757 HydrophobicContact CE2-CD1 3.69Å; N755-I757 PolarHBondContact O-N 3.32Å
758T34.2Very low59.4Low114 Ų11470.7 Ų70.770%0.69944%0.438SS*.  trans-136.180.3153.946.60000105.7V760T758-V760 VanDerWaalsContact C-N 3.33Å; T758-V760 PolarHBondContact O-N 3.45Å
759N29.1Very low60.3Low161 Ų16170.1 Ų70.186%0.86143%0.432SS*.  trans-70.7103.9165-90.8-6.9000107.3G761N759-G761 PolarHBondContact O-N 2.89Å
760V31.6Very low61Low123 Ų12370 Ų7075%0.74543%0.431SS*.  trans-49.1112.6163.6178.70000107.7T758 T762T758-V760 VanDerWaalsContact C-N 3.33Å; T758-V760 PolarHBondContact O-N 3.45Å; V760-T762 PolarHBondContact O-N 2.83Å; V760-T762 VanDerWaalsContact O-N 3.12Å
761G31.4Very low61.6Low73 Ų7372.8 Ų72.875%0.75344%0.442SS*.  trans-64.3108.9164.200000108.1N759N759-G761 PolarHBondContact O-N 2.89Å
762T32.7Very low62.4Low119 Ų11970.3 Ų70.373%0.7343%0.429SS*.PPolyproline II helixtrans-55.8130.2164.941.40000108.9V760 D764V760-T762 PolarHBondContact O-N 2.83Å; V760-T762 VanDerWaalsContact O-N 3.12Å; T762-D764 PolarHBondContact O-N 2.76Å
763G43.4Very low63.3Low78 Ų7865.8 Ų65.880%0.80441%0.406SS*.PPolyproline II helixtrans-69.2117.7-178.900000111.4
764D55.8Low64.3Low100 Ų10067.9 Ų67.954%0.53541%0.411SS..PPolyproline II helixtrans-89.9149.8152-43.3-57.7000108.5T762 N788T762-D764 PolarHBondContact O-N 2.76Å; D764-N788 VanDerWaalsContact CB-ND2 3.29Å; D764-N788 WeakPolarHBondContact CB-ND2 3.35Å; D764-N788 VanDerWaalsContact O-CB 3.31Å; D764-N788 WeakPolarHBondContact O-CB 3.41Å; D764-N788 PolarHBondContact O-ND2 2.89Å
765D73Confident65.4Low123 Ų12370.9 Ų70.966%0.65843%0.432SS*.PPolyproline II helixtrans-55.9150.6178.4-71.4-42.2000112.1Q767D765-Q767 WeakPolarHBondContact O-CG 3.48Å; D765-Q767 PolarHBondContact O-N 2.93Å
766P85.4Confident66.6Low40 Ų4071.8 Ų71.826%0.2644%0.437SS..PPolyproline II helixtrans-64.7131.8176.426.1-33.2000110.5Q787 I789 L879P766-Q787 WeakPolarHBondContact CA-O 3.3Å; P766-I789 HydrophobicContact CB-CG2 4.22Å; P766-L879 HydrophobicContact CB-CB 4.21Å; P766-L879 HydrophobicContact CB-CD1 4.43Å; P766-L879 HydrophobicContact CG-CB 4.33Å; P766-L879 WeakPolarHBondContact O-CB 3.43Å; P766-L879 PolarHBondContact O-N 3.17Å
767Q90Very high68.4Low59 Ų5972.1 Ų72.128%0.27644%0.436SS..EExtended strand (participates in β ladder)trans-136.3157.9-176.9-62.7-178.3-1200111.8D765 L786 Q787 W876 F877D765-Q767 WeakPolarHBondContact O-CG 3.48Å; D765-Q767 PolarHBondContact O-N 2.93Å; Q767-L786 WeakPolarHBondContact O-CA 3.2Å; Q767-Q787 PolarHBondContact N-O 2.95Å; Q767-Q787 VanDerWaalsContact N-O 3.13Å; Q767-Q787 PolarHBondContact O-N 3.14Å; Q767-W876 HydrophobicContact CB-CE3 3.76Å; Q767-W876 HydrophobicContact CB-CZ3 4.3Å; Q767-F877 CarbonylContact C-O 3.59Å; Q767-F877 WeakPolarHBondContact CA-O 3.47Å
768I92.3Very high70.6Confident0 Ų069.9 Ų69.90%042%0.422CS..EExtended strand (participates in β ladder)trans-125.1132.3172.8-169.2172.4000110.6L770 V783 H785 L786 V801 V847 T862 F877 L879I768-L770 HydrophobicContact CD1-CD2 3.76Å; I768-L770 HydrophobicContact CD1-CG 4.4Å; I768-L770 HydrophobicContact CG1-CD2 3.93Å; I768-L770 HydrophobicContact CG1-CG 4.26Å; I768-L770 HydrophobicContact CG2-CG 4.45Å; I768-V783 HydrophobicContact CD1-CG1 4.08Å; I768-H785 WeakPolarHBondContact CA-O 3.42Å; I768-L786 HydrophobicContact CB-CD2 3.47Å; I768-L786 VanDerWaalsContact CB-CD2 3.47Å; I768-L786 HydrophobicContact CD1-CD2 3.82Å; I768-L786 HydrophobicContact CG1-CD2 3.5Å; I768-L786 VanDerWaalsContact CG1-CD2 3.5Å; I768-L786 HydrophobicContact CG1-CG 4.29Å; I768-V801 HydrophobicContact CD1-CG1 3.92Å; I768-V801 HydrophobicContact CD1-CG2 3.99Å; I768-V847 HydrophobicContact CD1-CG1 3.75Å; I768-T862 HydrophobicContact CG2-CG2 4.14Å; I768-F877 HydrophobicContact CG2-CB 3.95Å; I768-F877 PolarHBondContact N-O 3Å; I768-F877 PolarHBondContact O-N 2.91Å; I768-L879 HydrophobicContact CB-CD1 4.27Å; I768-L879 HydrophobicContact CB-CD2 4.18Å; I768-L879 HydrophobicContact CB-CG 4.28Å; I768-L879 HydrophobicContact CG2-CD2 3.8Å; I768-L879 HydrophobicContact CG2-CG 4.22Å
769Q92.1Very high73.3Confident15 Ų1564.4 Ų64.47%0.0739%0.389CS..EExtended strand (participates in β ladder)trans-95.3127.8172.8-157.5-166.44000110.4K784 H785 M875 W876Q769-K784 HydrophobicContact CB-CB 4.28Å; Q769-K784 PolarHBondContact O-N 3.16Å; Q769-K784 VanDerWaalsContact OE1-CE 3.32Å; Q769-H785 HydrophobicContact CB-CB 4.36Å; Q769-H785 PolarHBondContact N-O 2.81Å; Q769-H785 PolarHBondContact OE1-CD2 2.67Å; Q769-M875 WeakPolarHBondContact CA-O 3.31Å; Q769-W876 HydrophobicContact CB-CD2 3.7Å; Q769-W876 HydrophobicContact CB-CE3 3.68Å; Q769-W876 HydrophobicContact CB-CG 4.42Å; Q769-W876 HydrophobicContact CB-CH2 3.86Å; Q769-W876 HydrophobicContact CB-CZ2 3.84Å; Q769-W876 HydrophobicContact CB-CZ3 3.77Å; Q769-W876 HydrophobicContact CG-CD2 3.91Å; Q769-W876 HydrophobicContact CG-CE3 4.4Å; Q769-W876 HydrophobicContact CG-CG 4.21Å; Q769-W876 HydrophobicContact CG-CZ2 4.16Å
770L92.3Very high76.3Confident1 Ų157.1 Ų57.11%0.00535%0.35CS..EExtended strand (participates in β ladder)trans-130148.6177.6-54.5174.2000110.3I768 I772 V781 L782 V783 L845 V847 I864 M875 F877I768-L770 HydrophobicContact CD1-CD2 3.76Å; I768-L770 HydrophobicContact CD1-CG 4.4Å; I768-L770 HydrophobicContact CG1-CD2 3.93Å; I768-L770 HydrophobicContact CG1-CG 4.26Å; I768-L770 HydrophobicContact CG2-CG 4.45Å; L770-I772 HydrophobicContact CB-CG1 4.44Å; L770-V781 HydrophobicContact CD2-CG1 4.44Å; L770-L782 WeakPolarHBondContact CA-O 2.97Å; L770-V783 HydrophobicContact CD2-CB 4.11Å; L770-V783 HydrophobicContact CD2-CG1 4.1Å; L770-V783 HydrophobicContact CD2-CG2 3.88Å; L770-L845 HydrophobicContact CD1-CD2 4.47Å; L770-V847 HydrophobicContact CD1-CG2 4.04Å; L770-I864 HydrophobicContact CD1-CD1 3.45Å; L770-I864 VanDerWaalsContact CD1-CD1 3.45Å; L770-M875 PolarHBondContact N-O 3.34Å; L770-M875 PolarHBondContact O-N 2.79Å; L770-F877 HydrophobicContact CB-CD2 4.18Å; L770-F877 HydrophobicContact CB-CE2 3.92Å; L770-F877 HydrophobicContact CD1-CD2 4.03Å; L770-F877 HydrophobicContact CD1-CE2 4.21Å; L770-F877 HydrophobicContact CG-CD2 4.13Å; L770-F877 HydrophobicContact CG-CE2 4.33Å
771R91.3Very high79.2Confident59 Ų5951.2 Ų51.222%0.22332%0.315CS..EExtended strand (participates in β ladder)trans-118.6123.1161.2-175.6168.2172.8-174.2-1.5108.3L606 L782 E874L606-R771 HydrophobicContact CD2-CB 4.39Å; L606-R771 HydrophobicContact CD2-CG 4.03Å; R771-L782 HydrophobicContact CB-CB 4.3Å; R771-L782 PolarHBondContact N-O 2.65Å; R771-L782 VanDerWaalsContact N-O 3.07Å; R771-L782 PolarHBondContact O-N 3.23Å; R771-E874 HydrophobicContact CB-CG 4.19Å; R771-E874 HydrophobicContact CG-CG 4.33Å
772I92.1Very high82Confident3 Ų347.9 Ų47.92%0.01528%0.279CS..EExtended strand (participates in β ladder)trans-114.4126-175.8-56.4175.7000107.5L770 L779 S780 V781 L845 I864 L866 L871 D872L770-I772 HydrophobicContact CB-CG1 4.44Å; I772-L779 HydrophobicContact CG2-CD1 3.56Å; I772-S780 WeakPolarHBondContact CA-O 3.37Å; I772-V781 HydrophobicContact CG1-CG1 4.47Å; I772-V781 HydrophobicContact CG2-CG2 4.46Å; I772-L845 HydrophobicContact CD1-CD2 3.95Å; I772-I864 HydrophobicContact CD1-CG2 4.32Å; I772-L866 HydrophobicContact CD1-CD2 3.95Å; I772-L866 HydrophobicContact CG2-CD2 4.11Å; I772-L871 HydrophobicContact CG2-CD2 3.94Å; I772-L871 CarbonylContact O-C 3.52Å; I772-L871 WeakPolarHBondContact O-CA 3.19Å; I772-D872 PolarHBondContact O-N 2.77Å
773S88.9Confident84.9Confident16 Ų1642.2 Ų42.211%0.11224%0.244CC..EExtended strand (participates in β ladder)trans-128.7151.4174.668.40000110.9L606 S780 D872L606-S773 VanDerWaalsContact CD1-OG 3.25Å; L606-S773 WeakPolarHBondContact CD1-OG 3.24Å; S773-S780 PolarHBondContact N-O 3.28Å; S773-S780 PolarHBondContact O-N 3.45Å; S773-S780 WeakPolarHBondContact OG-CB 3.04Å; S773-D872 WeakPolarHBondContact CB-OD1 3.4Å
774Y88.6Confident86.9Confident55 Ų5539 Ų3922%0.21621%0.208CC..EExtended strand (participates in β ladder)trans-140.5119.7179175.8-106.5000110.3K778 L779 I837 P838 L840Y774-K778 WeakPolarHBondContact CA-O 3.5Å; Y774-K778 WeakPolarHBondContact CD2-O 3.41Å; Y774-L779 HydrophobicContact CD2-CB 4.07Å; Y774-I837 HydrophobicContact CE2-CB 4.2Å; Y774-I837 HydrophobicContact CE2-CG2 4.2Å; Y774-I837 WeakPolarHBondContact CE2-O 3.18Å; Y774-I837 PolarHBondContact OH-O 3.43Å; Y774-P838 PolarHBondContact OH-O 3Å; Y774-L840 HydrophobicContact CD1-CD1 3.54Å; Y774-L840 HydrophobicContact CD1-CD2 4.45Å; Y774-L840 HydrophobicContact CD1-CG 3.76Å; Y774-L840 HydrophobicContact CD2-CD1 4.17Å; Y774-L840 HydrophobicContact CD2-CD2 3.71Å; Y774-L840 HydrophobicContact CD2-CG 3.93Å; Y774-L840 HydrophobicContact CE1-CD1 4.21Å; Y774-L840 HydrophobicContact CE1-CG 3.96Å; Y774-L840 HydrophobicContact CE2-CD2 3.99Å; Y774-L840 HydrophobicContact CE2-CG 4.12Å; Y774-L840 HydrophobicContact CG-CD1 3.51Å; Y774-L840 HydrophobicContact CG-CD2 3.95Å; Y774-L840 HydrophobicContact CG-CG 3.74Å
775S83.9Confident88.4Confident67 Ų6734.3 Ų34.347%0.46918%0.183SC..EExtended strand (participates in β ladder)trans-152.1150.1176.158.60000109.6C777 K778S775-C777 VanDerWaalsContact C-N 3.28Å; S775-C777 PolarHBondContact O-N 3.11Å; S775-C777 VanDerWaalsContact O-N 3.16Å; S775-K778 PolarHBondContact N-O 3.08Å; S775-K778 VanDerWaalsContact N-O 3.09Å; S775-K778 WeakPolarHBondContact O-CA 3.49Å; S775-K778 WeakPolarHBondContact O-CB 3.49Å; S775-K778 PolarHBondContact O-N 3.32Å
776N81.5Confident89.1Confident151 Ų15128.5 Ų28.581%0.80715%0.152SC*.THydrogen-bonded Turntrans50.543.3175.2-59.9-35.5000114.3K778N776-K778 PolarHBondContact O-N 3.25Å; N776-K778 VanDerWaalsContact O-N 3.15Å
777C84.9Confident89.1Confident61 Ų6129.4 Ų29.441%0.41215%0.153SC..THydrogen-bonded Turntrans57.724.5-176.7-530000114.4S775 F836 I837S775-C777 VanDerWaalsContact C-N 3.28Å; S775-C777 PolarHBondContact O-N 3.11Å; S775-C777 VanDerWaalsContact O-N 3.16Å; C777-F836 PolarHBondContact O-N 2.95Å; C777-I837 CarbonylContact C-O 3.59Å; C777-I837 WeakPolarHBondContact CA-O 3.27Å; C777-I837 VanDerWaalsContact CB-O 3.31Å; C777-I837 WeakPolarHBondContact CB-O 3.45Å; C777-I837 PolarHBondContact O-N 3.18Å
778K87.9Confident88.6Confident49 Ų4928.7 Ų28.721%0.21315%0.151CC..EExtended strand (participates in β ladder)trans-120.2118.9178178.1-178.2177-173.40108.8E607 Y774 S775 N776 E833 Y834E607-K778 IonicContact OE1-NZ 2.82Å; E607-K778 PolarHBondContact OE1-NZ 3.47Å; Y774-K778 WeakPolarHBondContact CA-O 3.5Å; Y774-K778 WeakPolarHBondContact CD2-O 3.41Å; S775-K778 PolarHBondContact N-O 3.08Å; S775-K778 VanDerWaalsContact N-O 3.09Å; S775-K778 WeakPolarHBondContact O-CA 3.49Å; S775-K778 WeakPolarHBondContact O-CB 3.49Å; S775-K778 PolarHBondContact O-N 3.32Å; N776-K778 PolarHBondContact O-N 3.25Å; N776-K778 VanDerWaalsContact O-N 3.15Å; K778-E833 WeakPolarHBondContact CE-OE1 3.47Å; K778-E833 VanDerWaalsContact CE-OE2 3.3Å; K778-E833 WeakPolarHBondContact CE-OE2 3.33Å; K778-E833 IonicContact NZ-OE1 2.67Å; K778-E833 PolarHBondContact NZ-OE1 3.14Å; K778-E833 IonicContact NZ-OE2 2.66Å; K778-E833 PolarHBondContact NZ-OE2 3.29Å; K778-Y834 WeakPolarHBondContact CA-O 3.35Å
779L91Very high88.2Confident0 Ų028.7 Ų28.70%015%0.151CC..EExtended strand (participates in β ladder)trans-95124.3170.9172.677.2000109I772 Y774 V781 L805 Y834 I837 L840 L866I772-L779 HydrophobicContact CG2-CD1 3.56Å; Y774-L779 HydrophobicContact CD2-CB 4.07Å; L779-V781 HydrophobicContact CD2-CG2 4.47Å; L779-V781 HydrophobicContact CG-CG2 4.29Å; L779-L805 HydrophobicContact CD2-CD1 4.19Å; L779-L805 HydrophobicContact CD2-CD2 3.61Å; L779-Y834 HydrophobicContact CD2-CD2 4.23Å; L779-Y834 HydrophobicContact CD2-CG 4.43Å; L779-Y834 HydrophobicContact CG-CD2 4.45Å; L779-Y834 PolarHBondContact N-O 3.25Å; L779-Y834 PolarHBondContact O-N 2.65Å; L779-I837 HydrophobicContact CB-CG1 4.44Å; L779-L840 HydrophobicContact CD1-CD2 4.05Å; L779-L866 HydrophobicContact CD1-CD1 4.14Å; L779-L866 HydrophobicContact CD2-CD1 3.58Å
780S91.7Very high87.8Confident7 Ų732.2 Ų32.25%0.04917%0.166CC..EExtended strand (participates in β ladder)trans-116.9119.7-177.4-79.10000109.3I772 S773I772-S780 WeakPolarHBondContact CA-O 3.37Å; S773-S780 PolarHBondContact N-O 3.28Å; S773-S780 PolarHBondContact O-N 3.45Å; S773-S780 WeakPolarHBondContact OG-CB 3.04Å
781V93.3Very high87.2Confident0 Ų033 Ų330%017%0.17CC..EExtended strand (participates in β ladder)trans-115.2106.2179.4-178.70000108.6L770 I772 L779 V783 L832 Y834 L845L770-V781 HydrophobicContact CD2-CG1 4.44Å; I772-V781 HydrophobicContact CG1-CG1 4.47Å; I772-V781 HydrophobicContact CG2-CG2 4.46Å; L779-V781 HydrophobicContact CD2-CG2 4.47Å; L779-V781 HydrophobicContact CG-CG2 4.29Å; V781-V783 HydrophobicContact CG1-CG2 4.4Å; V781-V783 PolarHBondContact O-N 2.87Å; V781-L832 PolarHBondContact N-O 3.28Å; V781-L832 PolarHBondContact O-N 2.91Å; V781-Y834 HydrophobicContact CG2-CD2 4.46Å; V781-Y834 HydrophobicContact CG2-CE2 4.13Å; V781-L845 HydrophobicContact CG1-CD2 3.91Å; V781-L845 HydrophobicContact CG2-CD1 4.29Å; V781-L845 HydrophobicContact CG2-CD2 3.87Å
782L90.8Very high86.5Confident2 Ų236 Ų361%0.0120%0.197CC..EExtended strand (participates in β ladder)trans-85.1111.5171.5-176.369000109.1L606 T609 L770 R771 K784 L831L606-L782 HydrophobicContact CD1-CB 4.46Å; L606-L782 HydrophobicContact CD2-CB 4Å; L606-L782 HydrophobicContact CD2-CD2 3.71Å; L606-L782 HydrophobicContact CD2-CG 4.43Å; T609-L782 HydrophobicContact CG2-CD2 4.01Å; L770-L782 WeakPolarHBondContact CA-O 2.97Å; R771-L782 HydrophobicContact CB-CB 4.3Å; R771-L782 PolarHBondContact N-O 2.65Å; R771-L782 VanDerWaalsContact N-O 3.07Å; R771-L782 PolarHBondContact O-N 3.23Å; L782-K784 HydrophobicContact CD2-CD 4.24Å; L782-K784 HydrophobicContact CD2-CG 3.85Å; L782-K784 HydrophobicContact CG-CG 3.99Å; L782-K784 PolarHBondContact O-N 2.9Å; L782-L831 HydrophobicContact CB-CD1 4.29Å; L782-L831 HydrophobicContact CD1-CB 4.33Å
783V92.4Very high85.6Confident0 Ų041.6 Ų41.60%023%0.227CC..EExtended strand (participates in β ladder)trans-84.5108.4172.6-177.20000108.1I768 L770 V781 V801 T817 F828 N829 E830 L832I768-V783 HydrophobicContact CD1-CG1 4.08Å; L770-V783 HydrophobicContact CD2-CB 4.11Å; L770-V783 HydrophobicContact CD2-CG1 4.1Å; L770-V783 HydrophobicContact CD2-CG2 3.88Å; V781-V783 HydrophobicContact CG1-CG2 4.4Å; V781-V783 PolarHBondContact O-N 2.87Å; V783-V801 HydrophobicContact CG1-CB 4.15Å; V783-V801 HydrophobicContact CG1-CG1 4.34Å; V783-V801 HydrophobicContact CG1-CG2 3.86Å; V783-V801 HydrophobicContact CG2-CG1 4.5Å; V783-T817 HydrophobicContact CB-CG2 4.06Å; V783-T817 HydrophobicContact CG1-CG2 4.16Å; V783-T817 HydrophobicContact CG2-CG2 4.07Å; V783-F828 HydrophobicContact CB-CB 4.46Å; V783-F828 HydrophobicContact CG1-CB 4.17Å; V783-F828 HydrophobicContact CG1-CD2 3.96Å; V783-F828 HydrophobicContact CG1-CG 4.21Å; V783-F828 WeakPolarHBondContact O-CB 3.43Å; V783-N829 CarbonylContact O-C 3.24Å; V783-N829 WeakPolarHBondContact O-CA 3.32Å; V783-N829 PolarHBondContact O-N 3.35Å; V783-E830 PolarHBondContact N-O 3.38Å; V783-E830 PolarHBondContact O-N 2.68Å; V783-L832 HydrophobicContact CG2-CD1 3.89Å; V783-L832 HydrophobicContact CG2-CG 4.36Å
784K86.3Confident84.8Confident10 Ų1043.2 Ų43.24%0.04325%0.246CC..EExtended strand (participates in β ladder)trans-90.2-79.6-174.6-69.3-169.862.5-179.90112.3E555 Q769 L782 F828 N829 E874E555-K784 WeakPolarHBondContact OE1-CE 3.36Å; E555-K784 IonicContact OE1-NZ 3.86Å; E555-K784 PolarHBondContact OE1-NZ 2.81Å; Q769-K784 HydrophobicContact CB-CB 4.28Å; Q769-K784 PolarHBondContact O-N 3.16Å; Q769-K784 VanDerWaalsContact OE1-CE 3.32Å; L782-K784 HydrophobicContact CD2-CD 4.24Å; L782-K784 HydrophobicContact CD2-CG 3.85Å; L782-K784 HydrophobicContact CG-CG 3.99Å; L782-K784 PolarHBondContact O-N 2.9Å; K784-F828 PolarHBondContact O-N 2.78Å; K784-N829 WeakPolarHBondContact CA-OD1 3.35Å; K784-N829 PolarHBondContact O-N 2.93Å; K784-E874 WeakPolarHBondContact CD-OE1 3.23Å; K784-E874 IonicContact NZ-OE1 3.67Å; K784-E874 PolarHBondContact NZ-OE1 3.46Å; K784-E874 IonicContact NZ-OE2 2.82Å; K784-E874 PolarHBondContact NZ-OE2 2.69Å
785H86.9Confident84.3Confident3 Ų342.3 Ų42.31%0.01425%0.248CC..EExtended strand (participates in β ladder)trans-126.6152-170.8-55.2-60.5000111.8H551 E555 I768 Q769 T827 W876H551-H785 AromaticContact CG-ND1 3.92Å; H551-H785 AromaticContact ND1-ND1 3.99Å; E555-H785 WeakPolarHBondContact CG-NE2 3.49Å; E555-H785 IonicContact OE1-CD2 3.39Å; E555-H785 IonicContact OE1-NE2 3.59Å; E555-H785 PolarHBondContact OE1-NE2 3.08Å; E555-H785 VanDerWaalsContact OE1-NE2 3.15Å; I768-H785 WeakPolarHBondContact CA-O 3.42Å; Q769-H785 HydrophobicContact CB-CB 4.36Å; Q769-H785 PolarHBondContact N-O 2.81Å; Q769-H785 PolarHBondContact OE1-CD2 2.67Å; H785-T827 VanDerWaalsContact CE1-CG2 3.48Å; H785-T827 WeakPolarHBondContact CE1-CG2 3.12Å; H785-T827 PolarHBondContact CE1-OG1 2.93Å; H785-T827 VanDerWaalsContact CE1-OG1 3.29Å; H785-T827 PolarHBondContact ND1-OG1 2.82Å; H785-W876 HydrophobicContact CB-CH2 3.7Å; H785-W876 HydrophobicContact CB-CZ2 4.4Å; H785-W876 HydrophobicContact CB-CZ3 4.38Å
786L88.4Confident84.1Confident1 Ų141 Ų411%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-112.9147.7158.7-69.4168.5000108.2Q767 I768 I789 A799 V801 H825 P826 F828 V849 L879Q767-L786 WeakPolarHBondContact O-CA 3.2Å; I768-L786 HydrophobicContact CB-CD2 3.47Å; I768-L786 VanDerWaalsContact CB-CD2 3.47Å; I768-L786 HydrophobicContact CD1-CD2 3.82Å; I768-L786 HydrophobicContact CG1-CD2 3.5Å; I768-L786 VanDerWaalsContact CG1-CD2 3.5Å; I768-L786 HydrophobicContact CG1-CG 4.29Å; L786-I789 HydrophobicContact CB-CD1 4Å; L786-I789 HydrophobicContact CB-CG1 4.26Å; L786-I789 HydrophobicContact CB-CG2 4.11Å; L786-I789 HydrophobicContact CD1-CD1 3.66Å; L786-I789 HydrophobicContact CD2-CG2 4.35Å; L786-I789 HydrophobicContact CG-CD1 4.42Å; L786-A799 HydrophobicContact CD1-CB 4.37Å; L786-V801 HydrophobicContact CD1-CG2 4Å; L786-H825 CarbonylContact O-C 3.56Å; L786-H825 VanDerWaalsContact O-CA 3.23Å; L786-H825 WeakPolarHBondContact O-CA 3.36Å; L786-P826 HydrophobicContact CB-CG 3.74Å; L786-P826 HydrophobicContact CD1-CG 3.82Å; L786-P826 HydrophobicContact CG-CG 4.21Å; L786-P826 PolarHBondContact N-O 2.87Å; L786-F828 HydrophobicContact CD1-CE2 3.46Å; L786-F828 VanDerWaalsContact CD1-CE2 3.46Å; L786-F828 HydrophobicContact CD1-CZ 3.83Å; L786-F828 HydrophobicContact CG-CE2 3.8Å; L786-V849 HydrophobicContact CD1-CB 4.5Å; L786-V849 HydrophobicContact CD1-CG1 3.59Å; L786-V849 HydrophobicContact CD1-CG2 4.05Å; L786-V849 HydrophobicContact CD2-CG2 3.75Å; L786-L879 HydrophobicContact CD2-CD1 3.64Å
787Q83.4Confident84.3Confident59 Ų5933.9 Ų33.928%0.27620%0.198SC..EExtended strand (participates in β ladder)trans-129.3142.8178179.6165.83.500110P766 Q767 I789 W876P766-Q787 WeakPolarHBondContact CA-O 3.3Å; Q767-Q787 PolarHBondContact N-O 2.95Å; Q767-Q787 VanDerWaalsContact N-O 3.13Å; Q767-Q787 PolarHBondContact O-N 3.14Å; Q787-I789 VanDerWaalsContact C-N 3.28Å; Q787-I789 PolarHBondContact O-N 3.09Å; Q787-W876 HydrophobicContact CB-CH2 4Å; Q787-W876 HydrophobicContact CB-CZ3 3.78Å
788N80.1Confident84.3Confident43 Ų4332.3 Ų32.323%0.2319%0.185CC..SBendtrans54.635.6175.7-62.8-29.3000115.2D764 D824 H825D764-N788 VanDerWaalsContact CB-ND2 3.29Å; D764-N788 WeakPolarHBondContact CB-ND2 3.35Å; D764-N788 VanDerWaalsContact O-CB 3.31Å; D764-N788 WeakPolarHBondContact O-CB 3.41Å; D764-N788 PolarHBondContact O-ND2 2.89Å; N788-D824 PolarHBondContact N-O 3.32Å; N788-H825 PolarHBondContact N-NE2 3.49Å; N788-H825 PolarHBondContact OD1-NE2 3.16Å; N788-H825 VanDerWaalsContact OD1-NE2 3.09Å
789I85.3Confident84.4Confident0 Ų030 Ų300%018%0.175CC..  trans-88.8125.7177.459.4160.9000111.6P766 L786 Q787 P797 A799 D824 P826 V849 V859 L879P766-I789 HydrophobicContact CB-CG2 4.22Å; L786-I789 HydrophobicContact CB-CD1 4Å; L786-I789 HydrophobicContact CB-CG1 4.26Å; L786-I789 HydrophobicContact CB-CG2 4.11Å; L786-I789 HydrophobicContact CD1-CD1 3.66Å; L786-I789 HydrophobicContact CD2-CG2 4.35Å; L786-I789 HydrophobicContact CG-CD1 4.42Å; Q787-I789 VanDerWaalsContact C-N 3.28Å; Q787-I789 PolarHBondContact O-N 3.09Å; I789-P797 HydrophobicContact CB-CG 4.44Å; I789-P797 HydrophobicContact CD1-CG 3.54Å; I789-P797 HydrophobicContact CG1-CG 3.85Å; I789-P797 WeakPolarHBondContact O-CD 3.3Å; I789-A799 HydrophobicContact CD1-CB 3.56Å; I789-D824 WeakPolarHBondContact CG1-O 3.49Å; I789-D824 PolarHBondContact N-O 3.26Å; I789-D824 VanDerWaalsContact O-CA 3.3Å; I789-D824 WeakPolarHBondContact O-CA 3.45Å; I789-D824 WeakPolarHBondContact O-CB 3.33Å; I789-P826 HydrophobicContact CD1-CG 3.65Å; I789-V849 HydrophobicContact CD1-CG1 4.49Å; I789-V859 HydrophobicContact CB-CG1 3.92Å; I789-V859 HydrophobicContact CG2-CG1 4.21Å; I789-L879 HydrophobicContact CG2-CD1 4.13Å
790K82Confident84.4Confident89 Ų8931.4 Ų31.439%0.38718%0.181SC..  trans-129.8152.5176.3-66.4-70.6179.4175.10111.1N796 D824K790-N796 PolarHBondContact NZ-OD1 3.48Å; K790-D824 HydrophobicContact CD-CB 4.04Å; K790-D824 WeakPolarHBondContact CE-OD2 3.44Å; K790-D824 IonicContact NZ-OD2 2.69Å; K790-D824 PolarHBondContact NZ-OD2 2.86Å
791L80.7Confident84.6Confident17 Ų1731 Ų319%0.08918%0.178CC..  trans-72.7160.6166.5-73.9173.5000110.4N793 G794 S795 P797 K853 T857 V859L791-N793 WeakPolarHBondContact CB-OD1 3.45Å; L791-N793 PolarHBondContact O-N 2.67Å; L791-G794 PolarHBondContact O-N 3.16Å; L791-S795 WeakPolarHBondContact CB-O 3.38Å; L791-S795 PolarHBondContact N-O 2.76Å; L791-P797 HydrophobicContact CD2-CB 4.31Å; L791-P797 HydrophobicContact CG-CB 4.05Å; L791-K853 HydrophobicContact CD1-CD 4.24Å; L791-T857 HydrophobicContact CD2-CG2 4.19Å; L791-V859 HydrophobicContact CD2-CG2 4.42Å
792P76.1Confident84.6Confident122 Ų12231.2 Ų31.279%0.79218%0.18SC*.THydrogen-bonded Turntrans-55.8-22.2177.8-26.834.7000114.7
793N73.1Confident84.8Confident121 Ų12131.1 Ų31.165%0.64718%0.179SC*.THydrogen-bonded Turntrans-91.59.7176.968.4-4.3000113.9L791 S795L791-N793 WeakPolarHBondContact CB-OD1 3.45Å; L791-N793 PolarHBondContact O-N 2.67Å; N793-S795 PolarHBondContact ND2-OG 3.01Å; N793-S795 PolarHBondContact O-N 3.01Å; N793-S795 WeakPolarHBondContact OD1-CB 3.32Å; N793-S795 PolarHBondContact OD1-N 3.41Å; N793-S795 PolarHBondContact OD1-OG 3.05Å
794G72.6Confident84.8Confident50 Ų5034.1 Ų34.152%0.51519%0.19SC..SBendtrans76.5-2.3-178.800000115.5L791L791-G794 PolarHBondContact O-N 3.16Å
795S78Confident85Confident36 Ų3634 Ų3425%0.25219%0.19SC..PPolyproline II helixtrans-83.2157.3179.271.80000112.9L791 N793L791-S795 WeakPolarHBondContact CB-O 3.38Å; L791-S795 PolarHBondContact N-O 2.76Å; N793-S795 PolarHBondContact ND2-OG 3.01Å; N793-S795 PolarHBondContact O-N 3.01Å; N793-S795 WeakPolarHBondContact OD1-CB 3.32Å; N793-S795 PolarHBondContact OD1-N 3.41Å; N793-S795 PolarHBondContact OD1-OG 3.05Å
796N80.8Confident85.1Confident41 Ų4139.9 Ų39.922%0.21921%0.212CC..PPolyproline II helixtrans-66.3135.1177.7-670.3000111.4K790 N822 K853K790-N796 PolarHBondContact NZ-OD1 3.48Å; N796-N822 PolarHBondContact ND2-O 3.46Å; N796-K853 PolarHBondContact O-NZ 2.75Å
797P83.9Confident84.9Confident0 Ų044.7 Ų44.70%024%0.244CC..PPolyproline II helixtrans-77.7160.4179.230.7-33.5000113.2I789 L791 A799 N822 N823 V859I789-P797 HydrophobicContact CB-CG 4.44Å; I789-P797 HydrophobicContact CD1-CG 3.54Å; I789-P797 HydrophobicContact CG1-CG 3.85Å; I789-P797 WeakPolarHBondContact O-CD 3.3Å; L791-P797 HydrophobicContact CD2-CB 4.31Å; L791-P797 HydrophobicContact CG-CB 4.05Å; P797-A799 HydrophobicContact CB-CB 4.33Å; P797-A799 HydrophobicContact CG-CB 4.23Å; P797-N822 WeakPolarHBondContact O-CA 3.23Å; P797-N822 PolarHBondContact O-N 3.09Å; P797-N822 VanDerWaalsContact O-N 3.08Å; P797-N823 WeakPolarHBondContact CD-O 3.5Å; P797-N823 WeakPolarHBondContact CG-O 3.23Å; P797-N823 PolarHBondContact O-N 2.93Å; P797-N823 VanDerWaalsContact O-N 3.12Å; P797-V859 HydrophobicContact CB-CG2 4.44Å
798D86.5Confident84.9Confident28 Ų2843 Ų4315%0.1524%0.236CC..  trans-96.874.9161.2-70.8-4.3000108V819 V820 S821 N822 S851 R852 K853D798-V819 HydrophobicContact CB-CG1 3.89Å; D798-V819 WeakPolarHBondContact O-CG1 3.4Å; D798-V820 CarbonylContact C-O 3.03Å; D798-V820 VanDerWaalsContact C-O 3.28Å; D798-V820 VanDerWaalsContact CA-O 3.31Å; D798-V820 WeakPolarHBondContact CA-O 3.44Å; D798-S821 VanDerWaalsContact OD1-CA 3.29Å; D798-S821 WeakPolarHBondContact OD1-CA 3.39Å; D798-S821 WeakPolarHBondContact OD1-CB 3.24Å; D798-N822 PolarHBondContact OD1-N 3.1Å; D798-S851 PolarHBondContact N-OG 3.2Å; D798-S851 CarbonylContact O-C 3.02Å; D798-S851 WeakPolarHBondContact O-CA 3.46Å; D798-R852 PolarHBondContact O-N 2.7Å; D798-K853 HydrophobicContact CB-CB 4.37Å; D798-K853 WeakPolarHBondContact OD2-CA 3.32Å
799A88.5Confident84.8Confident0 Ų047 Ų470%026%0.264CS..EExtended strand (participates in β ladder)trans-77.2142.6-161.500000113.8L786 I789 P797 V819 V820 P826 F828 K850L786-A799 HydrophobicContact CD1-CB 4.37Å; I789-A799 HydrophobicContact CD1-CB 3.56Å; P797-A799 HydrophobicContact CB-CB 4.33Å; P797-A799 HydrophobicContact CG-CB 4.23Å; A799-V819 CarbonylContact O-C 3.59Å; A799-V819 WeakPolarHBondContact O-CA 3.13Å; A799-V820 PolarHBondContact N-O 3.27Å; A799-V820 PolarHBondContact O-N 3.31Å; A799-P826 HydrophobicContact CB-CG 3.96Å; A799-F828 HydrophobicContact CB-CZ 4.21Å; A799-K850 CarbonylContact C-O 3.51Å; A799-K850 VanDerWaalsContact CA-O 3.29Å; A799-K850 WeakPolarHBondContact CA-O 3.43Å
800Y92.4Very high84.4Confident30 Ų3050.2 Ų50.212%0.11829%0.292CS..EExtended strand (participates in β ladder)trans-145.4151.7164.166.7-80.2000109.9V802 V819 K850 R852 T856Y800-V802 HydrophobicContact CD2-CG2 3.79Å; Y800-V802 HydrophobicContact CE2-CG2 3.48Å; Y800-V802 VanDerWaalsContact CE2-CG2 3.48Å; Y800-V819 HydrophobicContact CD1-CG2 3.96Å; Y800-V819 HydrophobicContact CG-CG2 4.19Å; Y800-K850 HydrophobicContact CD1-CB 4.15Å; Y800-K850 WeakPolarHBondContact CD1-O 3.26Å; Y800-K850 HydrophobicContact CE1-CB 3.54Å; Y800-K850 HydrophobicContact CE2-CB 3.96Å; Y800-K850 HydrophobicContact CE2-CD 4.21Å; Y800-K850 VanDerWaalsContact CZ-CB 3.43Å; Y800-K850 PolarHBondContact N-O 3.13Å; Y800-K850 PolarHBondContact O-N 3.39Å; Y800-K850 WeakPolarHBondContact OH-CD 3.32Å; Y800-R852 HydrophobicContact CD1-CB 4.4Å; Y800-R852 HydrophobicContact CE1-CB 4.1Å; Y800-T856 WeakPolarHBondContact OH-CG2 3.26Å
801V94.1Very high84.4Confident0 Ų054 Ų540%031%0.31CS..EExtended strand (participates in β ladder)trans-104.2137.9-178-175.90000109.1I768 V783 L786 T803 K816 T817 F828 V847 T848 V849I768-V801 HydrophobicContact CD1-CG1 3.92Å; I768-V801 HydrophobicContact CD1-CG2 3.99Å; V783-V801 HydrophobicContact CG1-CB 4.15Å; V783-V801 HydrophobicContact CG1-CG1 4.34Å; V783-V801 HydrophobicContact CG1-CG2 3.86Å; V783-V801 HydrophobicContact CG2-CG1 4.5Å; L786-V801 HydrophobicContact CD1-CG2 4Å; V801-T803 HydrophobicContact CG1-CG2 4.18Å; V801-K816 CarbonylContact O-C 3.59Å; V801-K816 WeakPolarHBondContact O-CA 3.3Å; V801-T817 HydrophobicContact CB-CG2 3.95Å; V801-T817 PolarHBondContact N-OG1 3.15Å; V801-T817 PolarHBondContact O-N 3.25Å; V801-F828 HydrophobicContact CG2-CD2 4.37Å; V801-F828 HydrophobicContact CG2-CE2 3.96Å; V801-F828 HydrophobicContact CG2-CZ 4.08Å; V801-V847 HydrophobicContact CG1-CG1 3.51Å; V801-T848 CarbonylContact C-O 3.58Å; V801-V849 HydrophobicContact CG2-CG2 4.36Å
802V93.9Very high84.6Confident4 Ų457.8 Ų57.82%0.02433%0.334CS..EExtended strand (participates in β ladder)trans-120124.5174.6-178.50000108.3Y800 K814 R815 K816 V847 T848 K850Y800-V802 HydrophobicContact CD2-CG2 3.79Å; Y800-V802 HydrophobicContact CE2-CG2 3.48Å; Y800-V802 VanDerWaalsContact CE2-CG2 3.48Å; V802-K814 HydrophobicContact CG1-CG 4.04Å; V802-R815 WeakPolarHBondContact CA-O 2.98Å; V802-K816 HydrophobicContact CG2-CB 4.19Å; V802-V847 CarbonylContact O-C 3.47Å; V802-T848 PolarHBondContact N-O 3.49Å; V802-T848 PolarHBondContact O-N 2.85Å; V802-K850 HydrophobicContact CG2-CD 4.38Å
803T94.4Very high85.2Confident0 Ų052.4 Ų52.40%030%0.3CS..EExtended strand (participates in β ladder)trans-115146.3179.254.90000110.7V801 K814 R815 L832 Y834 L845 K846 V847V801-T803 HydrophobicContact CG1-CG2 4.18Å; T803-K814 WeakPolarHBondContact O-CA 3.47Å; T803-R815 PolarHBondContact N-O 3.14Å; T803-R815 PolarHBondContact O-N 3.48Å; T803-L832 HydrophobicContact CG2-CD1 3.97Å; T803-L832 VanDerWaalsContact OG1-CD1 3.29Å; T803-L832 WeakPolarHBondContact OG1-CD1 3.06Å; T803-Y834 VanDerWaalsContact CB-OH 3.25Å; T803-Y834 WeakPolarHBondContact CB-OH 3.18Å; T803-Y834 PolarHBondContact OG1-OH 3.15Å; T803-L845 HydrophobicContact CG2-CD1 4.46Å; T803-K846 CarbonylContact C-O 3.57Å; T803-K846 VanDerWaalsContact CA-O 3.29Å; T803-K846 WeakPolarHBondContact CA-O 3.07Å; T803-V847 HydrophobicContact CG2-CG1 4.3Å; T803-V847 HydrophobicContact CG2-CG2 4.16Å
804R93.4Very high86.1Confident62 Ų6252.2 Ų52.223%0.23429%0.293CS..EExtended strand (participates in β ladder)trans-143.8144.9174.1-66.6-176.2-173.984.7-10.2109.6K814 K846R804-K814 HydrophobicContact CG-CB 4.29Å; R804-K814 HydrophobicContact CG-CG 4.43Å; R804-K846 PolarHBondContact N-O 2.56Å; R804-K846 PolarHBondContact O-N 3.17Å
805L91.5Very high87.1Confident8 Ų854 Ų544%0.04229%0.285CS..EExtended strand (participates in β ladder)trans-84.3153.9168.3-58.3-179.9000109.5L779 D808 S813 Y834 I837 I843 T844 L845 L866L779-L805 HydrophobicContact CD2-CD1 4.19Å; L779-L805 HydrophobicContact CD2-CD2 3.61Å; L805-D808 WeakPolarHBondContact O-CB 3.25Å; L805-S813 PolarHBondContact N-OG 3.29Å; L805-Y834 HydrophobicContact CD1-CD1 3.41Å; L805-Y834 VanDerWaalsContact CD1-CD1 3.41Å; L805-Y834 HydrophobicContact CD1-CE1 3.91Å; L805-Y834 HydrophobicContact CD1-CG 3.89Å; L805-Y834 HydrophobicContact CD2-CD1 4.4Å; L805-Y834 HydrophobicContact CD2-CE1 4.23Å; L805-Y834 HydrophobicContact CG-CD1 3.7Å; L805-Y834 HydrophobicContact CG-CE1 3.63Å; L805-Y834 HydrophobicContact CG-CG 4.38Å; L805-I837 HydrophobicContact CD1-CD1 3.72Å; L805-I837 HydrophobicContact CD1-CG1 4.27Å; L805-I843 HydrophobicContact CB-CG2 4.04Å; L805-I843 HydrophobicContact CD1-CG2 4.49Å; L805-I843 HydrophobicContact CD2-CG2 3.96Å; L805-I843 HydrophobicContact CG-CG2 4.37Å; L805-T844 CarbonylContact C-O 3.5Å; L805-T844 WeakPolarHBondContact CA-O 3.21Å; L805-L845 HydrophobicContact CD2-CD1 3.78Å; L805-L866 HydrophobicContact CD2-CD1 4.28Å
806R88.9Confident87.8Confident127 Ų12759 Ų5948%0.47930%0.302SS..EExtended strand (participates in β ladder)trans-137.9131.8172.7-71.5-63.2-170.2173.82.5108.4I843 T844R806-I843 CarbonylContact O-C 3.44Å; R806-I843 WeakPolarHBondContact O-CA 3.48Å; R806-T844 PolarHBondContact N-O 3.26Å; R806-T844 PolarHBondContact O-N 3.25Å
807P83.7Confident88.4Confident102 Ų10257.3 Ų57.366%0.66229%0.293SS*.SBendcis-69143.8-3.129.6-33.6000112.2P809P807-P809 VanDerWaalsContact C-CD 3.46Å; P807-P809 WeakPolarHBondContact O-CD 3.5Å
808D83.6Confident88.5Confident22 Ų2263.9 Ų63.912%0.11832%0.321CS..  trans-125.572.8176.6177.120000108.9L805 A810 Q811 T812 S813L805-D808 WeakPolarHBondContact O-CB 3.25Å; D808-A810 PolarHBondContact O-N 2.95Å; D808-Q811 VanDerWaalsContact CG-CA 3.49Å; D808-Q811 PolarHBondContact O-N 2.77Å; D808-Q811 WeakPolarHBondContact OD1-CA 3.43Å; D808-Q811 PolarHBondContact OD1-N 2.77Å; D808-Q811 VanDerWaalsContact OD2-CA 3.32Å; D808-Q811 WeakPolarHBondContact OD2-CA 3.29Å; D808-T812 PolarHBondContact OD1-N 3.29Å; D808-T812 VanDerWaalsContact OD1-N 3.13Å; D808-S813 PolarHBondContact OD1-N 2.95Å; D808-S813 VanDerWaalsContact OD2-CB 3.26Å; D808-S813 WeakPolarHBondContact OD2-CB 3.2Å; D808-S813 PolarHBondContact OD2-N 3.49Å; D808-S813 PolarHBondContact OD2-OG 3.03Å
809P76.8Confident88.5Confident127 Ų12765.6 Ų65.683%0.82533%0.332SS*.THydrogen-bonded Turntrans-63.7-30.4-173.923.6-31.9000112.4P807P807-P809 VanDerWaalsContact C-CD 3.46Å; P807-P809 WeakPolarHBondContact O-CD 3.5Å
810A78.1Confident88.1Confident69 Ų6967 Ų6757%0.5734%0.341SS*.THydrogen-bonded Turntrans-85.3-8178.600000114D808 T812D808-A810 PolarHBondContact O-N 2.95Å; A810-T812 HydrophobicContact CB-CG2 4.09Å; A810-T812 WeakPolarHBondContact O-CG2 3.46Å; A810-T812 PolarHBondContact O-N 3.12Å; A810-T812 VanDerWaalsContact O-N 3.17Å
811Q82.1Confident87.6Confident167 Ų16769.6 Ų69.678%0.7836%0.364SS*.SBendtrans55.823.2-174.3-56.5-169.67.800115.1D808D808-Q811 VanDerWaalsContact CG-CA 3.49Å; D808-Q811 PolarHBondContact O-N 2.77Å; D808-Q811 WeakPolarHBondContact OD1-CA 3.43Å; D808-Q811 PolarHBondContact OD1-N 2.77Å; D808-Q811 VanDerWaalsContact OD2-CA 3.32Å; D808-Q811 WeakPolarHBondContact OD2-CA 3.29Å
812T84.9Confident86.9Confident97 Ų9774 Ų7460%0.59539%0.387SS*.  trans-98.1-6.4-175.155.90000113.2D808 A810 K814 R815D808-T812 PolarHBondContact OD1-N 3.29Å; D808-T812 VanDerWaalsContact OD1-N 3.13Å; A810-T812 HydrophobicContact CB-CG2 4.09Å; A810-T812 WeakPolarHBondContact O-CG2 3.46Å; A810-T812 PolarHBondContact O-N 3.12Å; A810-T812 VanDerWaalsContact O-N 3.17Å; T812-K814 PolarHBondContact O-N 3.26Å; T812-R815 PolarHBondContact O-NH1 3.23Å
813S88.6Confident86Confident9 Ų975.4 Ų75.46%0.06340%0.395CS..  trans-78.1-2.2-174.780.60000114.2L805 D808 R815 Y834L805-S813 PolarHBondContact N-OG 3.29Å; D808-S813 PolarHBondContact OD1-N 2.95Å; D808-S813 VanDerWaalsContact OD2-CB 3.26Å; D808-S813 WeakPolarHBondContact OD2-CB 3.2Å; D808-S813 PolarHBondContact OD2-N 3.49Å; D808-S813 PolarHBondContact OD2-OG 3.03Å; S813-R815 PolarHBondContact O-N 2.88Å; S813-R815 VanDerWaalsContact O-N 3.14Å; S813-Y834 WeakPolarHBondContact O-CE1 3.35Å; S813-Y834 PolarHBondContact O-OH 2.94Å
814K92.4Very high85.2Confident117 Ų11776.7 Ų76.751%0.50940%0.401SS..  trans-65.7121.1-179-171.5-177.1176.2-172.70110.5V802 T803 R804 T812V802-K814 HydrophobicContact CG1-CG 4.04Å; T803-K814 WeakPolarHBondContact O-CA 3.47Å; R804-K814 HydrophobicContact CG-CB 4.29Å; R804-K814 HydrophobicContact CG-CG 4.43Å; T812-K814 PolarHBondContact O-N 3.26Å
815R93.3Very high84.5Confident89 Ų8974.8 Ų74.834%0.33640%0.395SS..EExtended strand (participates in β ladder)trans-123.9156.8168.4-58.3-67.4179.5-91.5-1.5109.1V802 T803 T812 S813 L832 E833 Y834V802-R815 WeakPolarHBondContact CA-O 2.98Å; T803-R815 PolarHBondContact N-O 3.14Å; T803-R815 PolarHBondContact O-N 3.48Å; T812-R815 PolarHBondContact O-NH1 3.23Å; S813-R815 PolarHBondContact O-N 2.88Å; S813-R815 VanDerWaalsContact O-N 3.14Å; R815-L832 HydrophobicContact CB-CB 4.1Å; R815-L832 HydrophobicContact CB-CD1 4.01Å; R815-L832 HydrophobicContact CB-CD2 4.22Å; R815-L832 HydrophobicContact CB-CG 4.34Å; R815-L832 HydrophobicContact CG-CB 4.47Å; R815-E833 PolarHBondContact NE-O 2.91Å; R815-E833 VanDerWaalsContact NE-O 3.08Å; R815-Y834 HydrophobicContact CG-CE1 3.91Å; R815-Y834 HydrophobicContact CG-CE2 4.13Å
816K92.4Very high84Confident140 Ų14074.4 Ų74.461%0.60939%0.393SS*.EExtended strand (participates in β ladder)trans-146.9146.9178.867.7179.5-176.8178.20110.6V801 V802V801-K816 CarbonylContact O-C 3.59Å; V801-K816 WeakPolarHBondContact O-CA 3.3Å; V802-K816 HydrophobicContact CG2-CB 4.19Å
817T92Very high83.7Confident6 Ų669.1 Ų69.14%0.03738%0.375CS..PPolyproline II helixtrans-81.7168170.968.20000111.5V783 V801 F828 E830 L832V783-T817 HydrophobicContact CB-CG2 4.06Å; V783-T817 HydrophobicContact CG1-CG2 4.16Å; V783-T817 HydrophobicContact CG2-CG2 4.07Å; V801-T817 HydrophobicContact CB-CG2 3.95Å; V801-T817 PolarHBondContact N-OG1 3.15Å; V801-T817 PolarHBondContact O-N 3.25Å; T817-F828 HydrophobicContact CG2-CB 4.47Å; T817-F828 HydrophobicContact CG2-CD1 4.24Å; T817-F828 HydrophobicContact CG2-CG 4.41Å; T817-F828 WeakPolarHBondContact OG1-CD1 3.33Å; T817-F828 WeakPolarHBondContact OG1-CE1 3.24Å; T817-E830 VanDerWaalsContact CA-CD 3.46Å; T817-E830 WeakPolarHBondContact CA-OE2 3.32Å; T817-E830 WeakPolarHBondContact CB-OE2 3.49Å; T817-E830 HydrophobicContact CG2-CB 4.1Å; T817-E830 HydrophobicContact CG2-CG 4.43Å; T817-L832 HydrophobicContact CG2-CD1 4.16Å
818K86.7Confident83.8Confident138 Ų13864.5 Ų64.560%0.634%0.344SS*.PPolyproline II helixtrans-64.8157.3163.2-66.9-179.8-177.1175.70110.8F828 E830K818-F828 WeakPolarHBondContact O-CE1 3.37Å; K818-E830 PolarHBondContact N-OE1 2.99Å; K818-E830 PolarHBondContact N-OE2 3.46Å
819V87.5Confident83.8Confident63 Ų6363.6 Ų63.638%0.38234%0.34SS..PPolyproline II helixtrans-82.6130.5178.2-178.60000109.5D798 A799 Y800 R852D798-V819 HydrophobicContact CB-CG1 3.89Å; D798-V819 WeakPolarHBondContact O-CG1 3.4Å; A799-V819 CarbonylContact O-C 3.59Å; A799-V819 WeakPolarHBondContact O-CA 3.13Å; Y800-V819 HydrophobicContact CD1-CG2 3.96Å; Y800-V819 HydrophobicContact CG-CG2 4.19Å; V819-R852 HydrophobicContact CG1-CB 4.49Å; V819-R852 HydrophobicContact CG2-CB 4.4Å
820V78.9Confident84.4Confident29 Ų2959.5 Ų59.518%0.17631%0.309CS..BIsolated β-bridgetrans-106.9117.1169-179.30000107.7D798 A799 N823 P826 F828D798-V820 CarbonylContact C-O 3.03Å; D798-V820 VanDerWaalsContact C-O 3.28Å; D798-V820 VanDerWaalsContact CA-O 3.31Å; D798-V820 WeakPolarHBondContact CA-O 3.44Å; A799-V820 PolarHBondContact N-O 3.27Å; A799-V820 PolarHBondContact O-N 3.31Å; V820-N823 HydrophobicContact CG1-CB 4.14Å; V820-P826 HydrophobicContact CB-CB 3.7Å; V820-P826 HydrophobicContact CG1-CB 3.64Å; V820-P826 HydrophobicContact CG2-CB 4.14Å; V820-F828 HydrophobicContact CB-CE1 4.35Å; V820-F828 HydrophobicContact CG2-CD1 3.93Å; V820-F828 HydrophobicContact CG2-CE1 3.73Å; V820-F828 HydrophobicContact CG2-CZ 4.36Å
821S81.8Confident85Confident85 Ų8557.5 Ų57.559%0.59429%0.289SS*.  trans-83.6145.6-172.447.30000113.5D798 N823D798-S821 VanDerWaalsContact OD1-CA 3.29Å; D798-S821 WeakPolarHBondContact OD1-CA 3.39Å; D798-S821 WeakPolarHBondContact OD1-CB 3.24Å; S821-N823 VanDerWaalsContact C-N 3.29Å; S821-N823 PolarHBondContact O-N 3.33Å; S821-N823 VanDerWaalsContact O-N 3.17Å
822N80.3Confident85.5Confident93 Ų9349.9 Ų49.950%0.49725%0.254SS..SBendtrans48.140.6170-16055.9000115.7N796 P797 D798 K853N796-N822 PolarHBondContact ND2-O 3.46Å; P797-N822 WeakPolarHBondContact O-CA 3.23Å; P797-N822 PolarHBondContact O-N 3.09Å; P797-N822 VanDerWaalsContact O-N 3.08Å; D798-N822 PolarHBondContact OD1-N 3.1Å; N822-K853 PolarHBondContact OD1-NZ 3.12Å
823N74.1Confident85.8Confident34 Ų3448 Ų4818%0.18224%0.238CC..  trans-133.1126.6-175.7-168-10.6000111P797 V820 S821 H825 P826P797-N823 WeakPolarHBondContact CD-O 3.5Å; P797-N823 WeakPolarHBondContact CG-O 3.23Å; P797-N823 PolarHBondContact O-N 2.93Å; P797-N823 VanDerWaalsContact O-N 3.12Å; V820-N823 HydrophobicContact CG1-CB 4.14Å; S821-N823 VanDerWaalsContact C-N 3.29Å; S821-N823 PolarHBondContact O-N 3.33Å; S821-N823 VanDerWaalsContact O-N 3.17Å; N823-H825 PolarHBondContact ND2-O 2.94Å; N823-H825 WeakPolarHBondContact OD1-CA 3.33Å; N823-H825 PolarHBondContact OD1-N 3.38Å; N823-H825 PolarHBondContact OD1-O 3.09Å; N823-P826 HydrophobicContact CB-CB 4.43Å
824D77.7Confident85.9Confident26 Ų2647.8 Ų47.814%0.13924%0.236CC..SBendtrans-87.5-7.6175.858-5.8000113.5N788 I789 K790N788-D824 PolarHBondContact N-O 3.32Å; I789-D824 WeakPolarHBondContact CG1-O 3.49Å; I789-D824 PolarHBondContact N-O 3.26Å; I789-D824 VanDerWaalsContact O-CA 3.3Å; I789-D824 WeakPolarHBondContact O-CA 3.45Å; I789-D824 WeakPolarHBondContact O-CB 3.33Å; K790-D824 HydrophobicContact CD-CB 4.04Å; K790-D824 WeakPolarHBondContact CE-OD2 3.44Å; K790-D824 IonicContact NZ-OD2 2.69Å; K790-D824 PolarHBondContact NZ-OD2 2.86Å
825H78.9Confident85.7Confident23 Ų2346.2 Ų46.211%0.10623%0.233CC..SBendtrans-132.772.2171.1-56.277.2000109.4P547 H551 L786 N788 N823P547-H825 HydrophobicContact CB-CB 4.38Å; P547-H825 HydrophobicContact CG-CB 4.35Å; H551-H825 PolarHBondContact CE1-O 3.23Å; H551-H825 VanDerWaalsContact NE2-CB 3.28Å; H551-H825 WeakPolarHBondContact NE2-CB 3.15Å; H551-H825 PolarHBondContact NE2-O 3.11Å; L786-H825 CarbonylContact O-C 3.56Å; L786-H825 VanDerWaalsContact O-CA 3.23Å; L786-H825 WeakPolarHBondContact O-CA 3.36Å; N788-H825 PolarHBondContact N-NE2 3.49Å; N788-H825 PolarHBondContact OD1-NE2 3.16Å; N788-H825 VanDerWaalsContact OD1-NE2 3.09Å; N823-H825 PolarHBondContact ND2-O 2.94Å; N823-H825 WeakPolarHBondContact OD1-CA 3.33Å; N823-H825 PolarHBondContact OD1-N 3.38Å; N823-H825 PolarHBondContact OD1-O 3.09Å
826P82.3Confident85.2Confident0 Ų051 Ų510%026%0.256CS..  trans-79.6140.7-178.930.3-37.6000112.7L786 I789 A799 V820 N823 F828L786-P826 HydrophobicContact CB-CG 3.74Å; L786-P826 HydrophobicContact CD1-CG 3.82Å; L786-P826 HydrophobicContact CG-CG 4.21Å; L786-P826 PolarHBondContact N-O 2.87Å; I789-P826 HydrophobicContact CD1-CG 3.65Å; A799-P826 HydrophobicContact CB-CG 3.96Å; V820-P826 HydrophobicContact CB-CB 3.7Å; V820-P826 HydrophobicContact CG1-CB 3.64Å; V820-P826 HydrophobicContact CG2-CB 4.14Å; N823-P826 HydrophobicContact CB-CB 4.43Å; P826-F828 HydrophobicContact CB-CE2 3.92Å; P826-F828 HydrophobicContact CB-CZ 3.89Å; P826-F828 HydrophobicContact CG-CE2 3.69Å; P826-F828 HydrophobicContact CG-CZ 3.79Å
827T80.7Confident84.8Confident15 Ų1545.6 Ų45.69%0.09223%0.234CC..EExtended strand (participates in β ladder)trans-100122.2165.1-62.50000111.4H551 V554 K617 H785 N829H551-T827 PolarHBondContact CE1-OG1 3.48Å; H551-T827 PolarHBondContact ND1-OG1 2.83Å; V554-T827 HydrophobicContact CG1-CG2 4.15Å; K617-T827 PolarHBondContact NZ-O 3.09Å; H785-T827 VanDerWaalsContact CE1-CG2 3.48Å; H785-T827 WeakPolarHBondContact CE1-CG2 3.12Å; H785-T827 PolarHBondContact CE1-OG1 2.93Å; H785-T827 VanDerWaalsContact CE1-OG1 3.29Å; H785-T827 PolarHBondContact ND1-OG1 2.82Å; T827-N829 HydrophobicContact CG2-CB 4.48Å
828F85.9Confident84.2Confident5 Ų550.1 Ų50.12%0.02226%0.264CS..EExtended strand (participates in β ladder)trans-93.8-56.6173.4-57.1-85000110K617 V783 K784 L786 A799 V801 T817 K818 V820 P826 E830K617-F828 PolarHBondContact NZ-O 3.19Å; V783-F828 HydrophobicContact CB-CB 4.46Å; V783-F828 HydrophobicContact CG1-CB 4.17Å; V783-F828 HydrophobicContact CG1-CD2 3.96Å; V783-F828 HydrophobicContact CG1-CG 4.21Å; V783-F828 WeakPolarHBondContact O-CB 3.43Å; K784-F828 PolarHBondContact O-N 2.78Å; L786-F828 HydrophobicContact CD1-CE2 3.46Å; L786-F828 VanDerWaalsContact CD1-CE2 3.46Å; L786-F828 HydrophobicContact CD1-CZ 3.83Å; L786-F828 HydrophobicContact CG-CE2 3.8Å; A799-F828 HydrophobicContact CB-CZ 4.21Å; V801-F828 HydrophobicContact CG2-CD2 4.37Å; V801-F828 HydrophobicContact CG2-CE2 3.96Å; V801-F828 HydrophobicContact CG2-CZ 4.08Å; T817-F828 HydrophobicContact CG2-CB 4.47Å; T817-F828 HydrophobicContact CG2-CD1 4.24Å; T817-F828 HydrophobicContact CG2-CG 4.41Å; T817-F828 WeakPolarHBondContact OG1-CD1 3.33Å; T817-F828 WeakPolarHBondContact OG1-CE1 3.24Å; K818-F828 WeakPolarHBondContact O-CE1 3.37Å; V820-F828 HydrophobicContact CB-CE1 4.35Å; V820-F828 HydrophobicContact CG2-CD1 3.93Å; V820-F828 HydrophobicContact CG2-CE1 3.73Å; V820-F828 HydrophobicContact CG2-CZ 4.36Å; P826-F828 HydrophobicContact CB-CE2 3.92Å; P826-F828 HydrophobicContact CB-CZ 3.89Å; P826-F828 HydrophobicContact CG-CE2 3.69Å; P826-F828 HydrophobicContact CG-CZ 3.79Å; F828-E830 HydrophobicContact CB-CB 4.19Å; F828-E830 PolarHBondContact O-N 2.91Å
829N84.9Confident84Confident3 Ų348 Ų482%0.01626%0.262CS..EExtended strand (participates in β ladder)trans39.548.9-161.2-69.4-17000110.9V554 T609 S610 T613 V783 K784 T827V554-N829 WeakPolarHBondContact CG1-ND2 3.34Å; T609-N829 HydrophobicContact CG2-CB 4.24Å; S610-N829 VanDerWaalsContact CA-O 3.24Å; S610-N829 WeakPolarHBondContact CA-O 3.45Å; S610-N829 WeakPolarHBondContact CB-O 3.39Å; T613-N829 HydrophobicContact CG2-CB 3.89Å; T613-N829 WeakPolarHBondContact OG1-CB 3.45Å; T613-N829 PolarHBondContact OG1-ND2 3.37Å; V783-N829 CarbonylContact O-C 3.24Å; V783-N829 WeakPolarHBondContact O-CA 3.32Å; V783-N829 PolarHBondContact O-N 3.35Å; K784-N829 WeakPolarHBondContact CA-OD1 3.35Å; K784-N829 PolarHBondContact O-N 2.93Å; T827-N829 HydrophobicContact CG2-CB 4.48Å
830E89.1Confident83.9Confident41 Ų4145.8 Ų45.819%0.19225%0.248CC..EExtended strand (participates in β ladder)trans-107.2122.7-177-171.2168.8170.700109.4V783 T817 K818 F828 L832V783-E830 PolarHBondContact N-O 3.38Å; V783-E830 PolarHBondContact O-N 2.68Å; T817-E830 VanDerWaalsContact CA-CD 3.46Å; T817-E830 WeakPolarHBondContact CA-OE2 3.32Å; T817-E830 WeakPolarHBondContact CB-OE2 3.49Å; T817-E830 HydrophobicContact CG2-CB 4.1Å; T817-E830 HydrophobicContact CG2-CG 4.43Å; K818-E830 PolarHBondContact N-OE1 2.99Å; K818-E830 PolarHBondContact N-OE2 3.46Å; F828-E830 HydrophobicContact CB-CB 4.19Å; F828-E830 PolarHBondContact O-N 2.91Å; E830-L832 HydrophobicContact CG-CD2 4.27Å
831L90.9Very high84.1Confident27 Ų2751 Ų5114%0.14128%0.275CS..EExtended strand (participates in β ladder)trans-82.6121.8179.1-17460.7000110.3L606 E607 L782 E833L606-L831 HydrophobicContact CB-CD1 3.88Å; L606-L831 HydrophobicContact CB-CD2 4.15Å; L606-L831 HydrophobicContact CD1-CD1 4.04Å; E607-L831 HydrophobicContact CB-CD2 4.35Å; E607-L831 HydrophobicContact CG-CD2 3.48Å; E607-L831 VanDerWaalsContact CG-CD2 3.48Å; L782-L831 HydrophobicContact CB-CD1 4.29Å; L782-L831 HydrophobicContact CD1-CB 4.33Å; L831-E833 HydrophobicContact CD2-CG 4.18Å; L831-E833 WeakPolarHBondContact CD2-OE1 3.45Å; L831-E833 HydrophobicContact CG-CG 3.93Å
832L92.9Very high84.1Confident8 Ų849.2 Ų49.24%0.04227%0.27CS..EExtended strand (participates in β ladder)trans-110.9119175.9-55.5-178.2000109.3V781 V783 T803 R815 T817 E830 Y834V781-L832 PolarHBondContact N-O 3.28Å; V781-L832 PolarHBondContact O-N 2.91Å; V783-L832 HydrophobicContact CG2-CD1 3.89Å; V783-L832 HydrophobicContact CG2-CG 4.36Å; T803-L832 HydrophobicContact CG2-CD1 3.97Å; T803-L832 VanDerWaalsContact OG1-CD1 3.29Å; T803-L832 WeakPolarHBondContact OG1-CD1 3.06Å; R815-L832 HydrophobicContact CB-CB 4.1Å; R815-L832 HydrophobicContact CB-CD1 4.01Å; R815-L832 HydrophobicContact CB-CD2 4.22Å; R815-L832 HydrophobicContact CB-CG 4.34Å; R815-L832 HydrophobicContact CG-CB 4.47Å; T817-L832 HydrophobicContact CG2-CD1 4.16Å; E830-L832 HydrophobicContact CG-CD2 4.27Å; L832-Y834 HydrophobicContact CB-CE2 4.4Å
833E90.6Very high84.6Confident56 Ų5645.9 Ų45.926%0.26225%0.252SS..EExtended strand (participates in β ladder)trans-110.8143.6-171.8-56.3-171.9146.400113.4K778 R815 L831K778-E833 WeakPolarHBondContact CE-OE1 3.47Å; K778-E833 VanDerWaalsContact CE-OE2 3.3Å; K778-E833 WeakPolarHBondContact CE-OE2 3.33Å; K778-E833 IonicContact NZ-OE1 2.67Å; K778-E833 PolarHBondContact NZ-OE1 3.14Å; K778-E833 IonicContact NZ-OE2 2.66Å; K778-E833 PolarHBondContact NZ-OE2 3.29Å; R815-E833 PolarHBondContact NE-O 2.91Å; R815-E833 VanDerWaalsContact NE-O 3.08Å; L831-E833 HydrophobicContact CD2-CG 4.18Å; L831-E833 WeakPolarHBondContact CD2-OE1 3.45Å; L831-E833 HydrophobicContact CG-CG 3.93Å
834Y90.8Very high85.4Confident5 Ų546.2 Ų46.22%0.0226%0.255CS..EExtended strand (participates in β ladder)trans-130.2101-179.1-61.2-97.1000108.5K778 L779 V781 T803 L805 S813 R815 L832K778-Y834 WeakPolarHBondContact CA-O 3.35Å; L779-Y834 HydrophobicContact CD2-CD2 4.23Å; L779-Y834 HydrophobicContact CD2-CG 4.43Å; L779-Y834 HydrophobicContact CG-CD2 4.45Å; L779-Y834 PolarHBondContact N-O 3.25Å; L779-Y834 PolarHBondContact O-N 2.65Å; V781-Y834 HydrophobicContact CG2-CD2 4.46Å; V781-Y834 HydrophobicContact CG2-CE2 4.13Å; T803-Y834 VanDerWaalsContact CB-OH 3.25Å; T803-Y834 WeakPolarHBondContact CB-OH 3.18Å; T803-Y834 PolarHBondContact OG1-OH 3.15Å; L805-Y834 HydrophobicContact CD1-CD1 3.41Å; L805-Y834 VanDerWaalsContact CD1-CD1 3.41Å; L805-Y834 HydrophobicContact CD1-CE1 3.91Å; L805-Y834 HydrophobicContact CD1-CG 3.89Å; L805-Y834 HydrophobicContact CD2-CD1 4.4Å; L805-Y834 HydrophobicContact CD2-CE1 4.23Å; L805-Y834 HydrophobicContact CG-CD1 3.7Å; L805-Y834 HydrophobicContact CG-CE1 3.63Å; L805-Y834 HydrophobicContact CG-CG 4.38Å; S813-Y834 WeakPolarHBondContact O-CE1 3.35Å; S813-Y834 PolarHBondContact O-OH 2.94Å; R815-Y834 HydrophobicContact CG-CE1 3.91Å; R815-Y834 HydrophobicContact CG-CE2 4.13Å; L832-Y834 HydrophobicContact CB-CE2 4.4Å
835N87.6Confident86.1Confident84 Ų8445 Ų4545%0.44925%0.248SC..EExtended strand (participates in β ladder)trans-86.8155.7179.9-59.2-34.9000110.6
836F84.1Confident86.8Confident189 Ų18946.3 Ų46.383%0.82925%0.254SS*.  trans64.539.3175.9-45.2-75.4000113.7C777 P838C777-F836 PolarHBondContact O-N 2.95Å; F836-P838 VanDerWaalsContact O-CD 3.31Å; F836-P838 WeakPolarHBondContact O-CD 3.34Å
837I83.8Confident87.4Confident27 Ų2746.3 Ų46.314%0.13825%0.254CS..  trans-96.1104.8169.8-55.5-57.8000106.7Y774 C777 L779 L805 L840 I843Y774-I837 HydrophobicContact CE2-CB 4.2Å; Y774-I837 HydrophobicContact CE2-CG2 4.2Å; Y774-I837 WeakPolarHBondContact CE2-O 3.18Å; Y774-I837 PolarHBondContact OH-O 3.43Å; C777-I837 CarbonylContact C-O 3.59Å; C777-I837 WeakPolarHBondContact CA-O 3.27Å; C777-I837 VanDerWaalsContact CB-O 3.31Å; C777-I837 WeakPolarHBondContact CB-O 3.45Å; C777-I837 PolarHBondContact O-N 3.18Å; L779-I837 HydrophobicContact CB-CG1 4.44Å; L805-I837 HydrophobicContact CD1-CD1 3.72Å; L805-I837 HydrophobicContact CD1-CG1 4.27Å; I837-L840 HydrophobicContact CG2-CD2 4.18Å; I837-I843 HydrophobicContact CG2-CD1 3.64Å
838P78.6Confident87.9Confident101 Ų10146 Ų4666%0.65625%0.252SS*.  trans-77.9-31.4-173.727.9-33.6000113.6Y774 F836Y774-P838 PolarHBondContact OH-O 3Å; F836-P838 VanDerWaalsContact O-CD 3.31Å; F836-P838 WeakPolarHBondContact O-CD 3.34Å
839V83.6Confident88.2Confident93 Ų9345.8 Ų45.856%0.56425%0.251SS*.  trans-143.2139.2-178.1177.70000108.6D841 I843V839-D841 HydrophobicContact CG1-CB 3.82Å; V839-I843 WeakPolarHBondContact O-CD1 3.16Å
840L83.8Confident88.5Confident17 Ų1748.3 Ų48.39%0.08926%0.262CS..  trans-86.2-22.2177.4-70.7-179.1000113.9Y774 L779 I837 G842 I843 L866 L871Y774-L840 HydrophobicContact CD1-CD1 3.54Å; Y774-L840 HydrophobicContact CD1-CD2 4.45Å; Y774-L840 HydrophobicContact CD1-CG 3.76Å; Y774-L840 HydrophobicContact CD2-CD1 4.17Å; Y774-L840 HydrophobicContact CD2-CD2 3.71Å; Y774-L840 HydrophobicContact CD2-CG 3.93Å; Y774-L840 HydrophobicContact CE1-CD1 4.21Å; Y774-L840 HydrophobicContact CE1-CG 3.96Å; Y774-L840 HydrophobicContact CE2-CD2 3.99Å; Y774-L840 HydrophobicContact CE2-CG 4.12Å; Y774-L840 HydrophobicContact CG-CD1 3.51Å; Y774-L840 HydrophobicContact CG-CD2 3.95Å; Y774-L840 HydrophobicContact CG-CG 3.74Å; L779-L840 HydrophobicContact CD1-CD2 4.05Å; I837-L840 HydrophobicContact CG2-CD2 4.18Å; L840-G842 PolarHBondContact O-N 2.89Å; L840-I843 VanDerWaalsContact O-CB 3.3Å; L840-I843 WeakPolarHBondContact O-CB 3.46Å; L840-I843 PolarHBondContact O-N 3.27Å; L840-L866 HydrophobicContact CD2-CD1 4.09Å; L840-L871 HydrophobicContact CD1-CD1 3.86Å; L840-L871 HydrophobicContact CD1-CD2 4.14Å
841D84.1Confident88.5Confident139 Ų13946.4 Ų46.474%0.74325%0.253SS*.THydrogen-bonded Turntrans-55.9133.7-176.6-172.644.5000111.9V839 I843V839-D841 HydrophobicContact CG1-CB 3.82Å; D841-I843 PolarHBondContact O-N 3.16Å
842G81.9Confident88.2Confident47 Ų4753.6 Ų53.649%0.48528%0.278SS..THydrogen-bonded Turntrans72.60.3-175.400000116L840L840-G842 PolarHBondContact O-N 2.89Å
843I89.6Confident87.1Confident23 Ų2357 Ų5712%0.11829%0.293CS..  trans-87.9130.8177.1-56-176.1000111L805 R806 I837 V839 L840 D841 L866L805-I843 HydrophobicContact CB-CG2 4.04Å; L805-I843 HydrophobicContact CD1-CG2 4.49Å; L805-I843 HydrophobicContact CD2-CG2 3.96Å; L805-I843 HydrophobicContact CG-CG2 4.37Å; R806-I843 CarbonylContact O-C 3.44Å; R806-I843 WeakPolarHBondContact O-CA 3.48Å; I837-I843 HydrophobicContact CG2-CD1 3.64Å; V839-I843 WeakPolarHBondContact O-CD1 3.16Å; L840-I843 VanDerWaalsContact O-CB 3.3Å; L840-I843 WeakPolarHBondContact O-CB 3.46Å; L840-I843 PolarHBondContact O-N 3.27Å; D841-I843 PolarHBondContact O-N 3.16Å; I843-L866 HydrophobicContact CB-CD1 4.21Å; I843-L866 HydrophobicContact CG2-CD1 3.77Å; I843-L866 WeakPolarHBondContact O-CB 3.33Å; I843-L866 PolarHBondContact O-N 3.14Å
844T91.1Very high85.8Confident41 Ų4160.9 Ų60.925%0.25232%0.32SS..EExtended strand (participates in β ladder)trans-114.7128172.9-56.50000110.7L805 R806 K846 I864L805-T844 CarbonylContact C-O 3.5Å; L805-T844 WeakPolarHBondContact CA-O 3.21Å; R806-T844 PolarHBondContact N-O 3.26Å; R806-T844 PolarHBondContact O-N 3.25Å; T844-K846 PolarHBondContact O-N 3.46Å; T844-I864 CarbonylContact C-O 3.55Å; T844-I864 WeakPolarHBondContact CA-O 3.34Å; T844-I864 WeakPolarHBondContact CG2-O 3.3Å
845L93.3Very high84.9Confident0 Ų070.5 Ų70.50%036%0.357CS..EExtended strand (participates in β ladder)trans-84.4106.9171.1-178.270.6000109.7L770 I772 V781 T803 L805 V847 I864 L866L770-L845 HydrophobicContact CD1-CD2 4.47Å; I772-L845 HydrophobicContact CD1-CD2 3.95Å; V781-L845 HydrophobicContact CG1-CD2 3.91Å; V781-L845 HydrophobicContact CG2-CD1 4.29Å; V781-L845 HydrophobicContact CG2-CD2 3.87Å; T803-L845 HydrophobicContact CG2-CD1 4.46Å; L805-L845 HydrophobicContact CD2-CD1 3.78Å; L845-V847 HydrophobicContact CD2-CG2 4.03Å; L845-V847 HydrophobicContact CG-CG2 3.93Å; L845-I864 HydrophobicContact CB-CB 4.42Å; L845-I864 PolarHBondContact N-O 2.97Å; L845-I864 PolarHBondContact O-N 3.27Å; L845-L866 HydrophobicContact CB-CD2 3.99Å; L845-L866 HydrophobicContact CB-CG 4.33Å
846K93.1Very high84.5Confident51 Ų5170.5 Ų70.522%0.22236%0.36CS..EExtended strand (participates in β ladder)trans-86.4119.2171.7-174.7168.3-175.8166.60109.8T803 R804 T844T803-K846 CarbonylContact C-O 3.57Å; T803-K846 VanDerWaalsContact CA-O 3.29Å; T803-K846 WeakPolarHBondContact CA-O 3.07Å; R804-K846 PolarHBondContact N-O 2.56Å; R804-K846 PolarHBondContact O-N 3.17Å; T844-K846 PolarHBondContact O-N 3.46Å
847V94.2Very high84.6Confident0 Ų063.9 Ų63.90%034%0.335CS..EExtended strand (participates in β ladder)trans-111.2132.4-179-174.60000109.1I768 L770 V801 V802 T803 L845 A861 T862 I864I768-V847 HydrophobicContact CD1-CG1 3.75Å; L770-V847 HydrophobicContact CD1-CG2 4.04Å; V801-V847 HydrophobicContact CG1-CG1 3.51Å; V802-V847 CarbonylContact O-C 3.47Å; T803-V847 HydrophobicContact CG2-CG1 4.3Å; T803-V847 HydrophobicContact CG2-CG2 4.16Å; L845-V847 HydrophobicContact CD2-CG2 4.03Å; L845-V847 HydrophobicContact CG-CG2 3.93Å; V847-A861 CarbonylContact O-C 3.4Å; V847-A861 WeakPolarHBondContact O-CA 3.22Å; V847-A861 VanDerWaalsContact O-CB 3.27Å; V847-A861 WeakPolarHBondContact O-CB 3.26Å; V847-T862 HydrophobicContact CB-CG2 3.88Å; V847-T862 HydrophobicContact CG2-CG2 4.3Å; V847-T862 PolarHBondContact N-O 3.4Å; V847-T862 PolarHBondContact O-N 3.05Å; V847-I864 HydrophobicContact CG2-CD1 4.14Å
848T92.7Very high84.8Confident10 Ų1066 Ų666%0.06134%0.343CS..EExtended strand (participates in β ladder)trans-136.6121.2-179-54.70000110.5V801 V802 K850 F858 A861V801-T848 CarbonylContact C-O 3.58Å; V802-T848 PolarHBondContact N-O 3.49Å; V802-T848 PolarHBondContact O-N 2.85Å; T848-K850 HydrophobicContact CG2-CG 4.06Å; T848-F858 HydrophobicContact CG2-CD2 3.84Å; T848-F858 HydrophobicContact CG2-CE2 3.76Å; T848-A861 HydrophobicContact CG2-CB 4.46Å
849V91.3Very high85.1Confident0 Ų062 Ų620%032%0.317CS..EExtended strand (participates in β ladder)trans-90.3131.5175-172.80000109.5L786 I789 V801 V859 G860 L879L786-V849 HydrophobicContact CD1-CB 4.5Å; L786-V849 HydrophobicContact CD1-CG1 3.59Å; L786-V849 HydrophobicContact CD1-CG2 4.05Å; L786-V849 HydrophobicContact CD2-CG2 3.75Å; I789-V849 HydrophobicContact CD1-CG1 4.49Å; V801-V849 HydrophobicContact CG2-CG2 4.36Å; V849-V859 HydrophobicContact CB-CB 4.1Å; V849-V859 HydrophobicContact CG1-CB 3.83Å; V849-V859 HydrophobicContact CG1-CG1 4.07Å; V849-V859 HydrophobicContact CG1-CG2 4.34Å; V849-V859 PolarHBondContact O-N 3.45Å; V849-G860 PolarHBondContact N-O 2.95Å; V849-G860 PolarHBondContact O-N 2.86Å; V849-L879 HydrophobicContact CG2-CD1 3.72Å; V849-L879 HydrophobicContact CG2-CD2 3.93Å
850K91.3Very high85.3Confident56 Ų5657.6 Ų57.624%0.24329%0.29CS..EExtended strand (participates in β ladder)trans-134.3156.4-179.7-62.3-171.5176.3-159.60110.8A799 Y800 V802 T848 T856 T857A799-K850 CarbonylContact C-O 3.51Å; A799-K850 VanDerWaalsContact CA-O 3.29Å; A799-K850 WeakPolarHBondContact CA-O 3.43Å; Y800-K850 HydrophobicContact CD1-CB 4.15Å; Y800-K850 WeakPolarHBondContact CD1-O 3.26Å; Y800-K850 HydrophobicContact CE1-CB 3.54Å; Y800-K850 HydrophobicContact CE2-CB 3.96Å; Y800-K850 HydrophobicContact CE2-CD 4.21Å; Y800-K850 VanDerWaalsContact CZ-CB 3.43Å; Y800-K850 PolarHBondContact N-O 3.13Å; Y800-K850 PolarHBondContact O-N 3.39Å; Y800-K850 WeakPolarHBondContact OH-CD 3.32Å; V802-K850 HydrophobicContact CG2-CD 4.38Å; T848-K850 HydrophobicContact CG2-CG 4.06Å; K850-T856 HydrophobicContact CB-CG2 4.31Å; K850-T856 HydrophobicContact CD-CG2 3.82Å; K850-T857 CarbonylContact C-O 3.52Å; K850-T857 VanDerWaalsContact CA-O 3.27Å; K850-T857 WeakPolarHBondContact CA-O 3.13Å
851S88.8Confident85.7Confident1 Ų157.1 Ų57.11%0.00729%0.289CS..EExtended strand (participates in β ladder)trans-115.7141.6176.11780000111.7D798 T856 T857D798-S851 PolarHBondContact N-OG 3.2Å; D798-S851 CarbonylContact O-C 3.02Å; D798-S851 WeakPolarHBondContact O-CA 3.46Å; S851-T856 WeakPolarHBondContact O-CA 3.2Å; S851-T857 PolarHBondContact N-O 3.01Å; S851-T857 PolarHBondContact O-N 2.87Å
852R84.3Confident86.1Confident177 Ų17751.6 Ų51.667%0.66826%0.261SS*.  trans-117.640.4-179.4-156.7-169175.8-176.1-2.6114D798 Y800 V819D798-R852 PolarHBondContact O-N 2.7Å; Y800-R852 HydrophobicContact CD1-CB 4.4Å; Y800-R852 HydrophobicContact CE1-CB 4.1Å; V819-R852 HydrophobicContact CG1-CB 4.49Å; V819-R852 HydrophobicContact CG2-CB 4.4Å
853K70.4Confident86.5Confident81 Ų8152.8 Ų52.835%0.35226%0.262SS..SBendtrans-76.2-47.4-175.8-152.6167.9-164.3168.30114L791 N796 D798 N822L791-K853 HydrophobicContact CD1-CD 4.24Å; N796-K853 PolarHBondContact O-NZ 2.75Å; D798-K853 HydrophobicContact CB-CB 4.37Å; D798-K853 WeakPolarHBondContact OD2-CA 3.32Å; N822-K853 PolarHBondContact OD1-NZ 3.12Å
854T63.1Low86.7Confident136 Ų13652 Ų5283%0.83426%0.257SS*.SBendtrans-137.1-42.8177.9510000112.1
855R72.6Confident86.6Confident208 Ų20855.4 Ų55.479%0.78527%0.269SS*.SBendtrans-132.5164.4165.3-71.3-177.1176.7173.3-0.9108.9T857R855-T857 PolarHBondContact O-N 2.68Å; R855-T857 VanDerWaalsContact O-N 3.13Å; R855-T857 PolarHBondContact O-OG1 3.21Å
856T80Confident86.4Confident84 Ų8455.8 Ų55.852%0.51527%0.271SS..  trans-71.9107176.3-63.20000109.4Y800 K850 S851Y800-T856 WeakPolarHBondContact OH-CG2 3.26Å; K850-T856 HydrophobicContact CB-CG2 4.31Å; K850-T856 HydrophobicContact CD-CG2 3.82Å; S851-T856 WeakPolarHBondContact O-CA 3.2Å
857T85.4Confident86Confident49 Ų4957.2 Ų57.230%0.30128%0.278SS..EExtended strand (participates in β ladder)trans-107.6137.6-178.5-50.90000110L791 K850 S851 R855L791-T857 HydrophobicContact CD2-CG2 4.19Å; K850-T857 CarbonylContact C-O 3.52Å; K850-T857 VanDerWaalsContact CA-O 3.27Å; K850-T857 WeakPolarHBondContact CA-O 3.13Å; S851-T857 PolarHBondContact N-O 3.01Å; S851-T857 PolarHBondContact O-N 2.87Å; R855-T857 PolarHBondContact O-N 2.68Å; R855-T857 VanDerWaalsContact O-N 3.13Å; R855-T857 PolarHBondContact O-OG1 3.21Å
858F88.4Confident85.2Confident71 Ų7165.4 Ų65.431%0.31132%0.316SS..EExtended strand (participates in β ladder)trans-71.2139.3172.3177.1-93.1000110.3T848 A861T848-F858 HydrophobicContact CG2-CD2 3.84Å; T848-F858 HydrophobicContact CG2-CE2 3.76Å; F858-A861 HydrophobicContact CE2-CB 3.73Å; F858-A861 HydrophobicContact CZ-CB 3.75Å
859V85.4Confident84.6Confident17 Ų1772.1 Ų72.110%0.10335%0.347CS..EExtended strand (participates in β ladder)trans-114.5-46.1178.6-179.90000110.7I789 L791 P797 V849I789-V859 HydrophobicContact CB-CG1 3.92Å; I789-V859 HydrophobicContact CG2-CG1 4.21Å; L791-V859 HydrophobicContact CD2-CG2 4.42Å; P797-V859 HydrophobicContact CB-CG2 4.44Å; V849-V859 HydrophobicContact CB-CB 4.1Å; V849-V859 HydrophobicContact CG1-CB 3.83Å; V849-V859 HydrophobicContact CG1-CG1 4.07Å; V849-V859 HydrophobicContact CG1-CG2 4.34Å; V849-V859 PolarHBondContact O-N 3.45Å
860G87.7Confident84.2Confident1 Ų173.9 Ų73.91%0.0136%0.357CS..EExtended strand (participates in β ladder)trans-176.7164.3179.500000111.4V849V849-G860 PolarHBondContact N-O 2.95Å; V849-G860 PolarHBondContact O-N 2.86Å
861A90.6Very high84Confident8 Ų872.6 Ų72.67%0.06635%0.352CS..EExtended strand (participates in β ladder)trans-147.5157.8176.300000112.3V847 T848 F858 G880V847-A861 CarbonylContact O-C 3.4Å; V847-A861 WeakPolarHBondContact O-CA 3.22Å; V847-A861 VanDerWaalsContact O-CB 3.27Å; V847-A861 WeakPolarHBondContact O-CB 3.26Å; T848-A861 HydrophobicContact CG2-CB 4.46Å; F858-A861 HydrophobicContact CE2-CB 3.73Å; F858-A861 HydrophobicContact CZ-CB 3.75Å; A861-G880 PolarHBondContact N-O 3.18Å; A861-G880 PolarHBondContact O-N 3.01Å
862T92.9Very high83.6Confident23 Ų2377 Ų7714%0.14138%0.376CS..EExtended strand (participates in β ladder)trans-144.7156.4172.2-167.20000110.1I768 V847 I864 F877 P878 L879I768-T862 HydrophobicContact CG2-CG2 4.14Å; V847-T862 HydrophobicContact CB-CG2 3.88Å; V847-T862 HydrophobicContact CG2-CG2 4.3Å; V847-T862 PolarHBondContact N-O 3.4Å; V847-T862 PolarHBondContact O-N 3.05Å; T862-I864 HydrophobicContact CG2-CD1 4.18Å; T862-I864 HydrophobicContact CG2-CG1 4.21Å; T862-F877 HydrophobicContact CG2-CB 4.18Å; T862-P878 VanDerWaalsContact CB-O 3.29Å; T862-P878 WeakPolarHBondContact CB-O 3.43Å; T862-P878 PolarHBondContact OG1-O 2.91Å; T862-L879 HydrophobicContact CG2-CD2 4.13Å
863S91.6Very high83.6Confident72 Ų7276.1 Ų76.150%0.50337%0.372SS..EExtended strand (participates in β ladder)trans-125.3119.1177.3-62.10000108.1
864I91.9Very high84.3Confident6 Ų676.3 Ų76.33%0.03138%0.375CS..EExtended strand (participates in β ladder)trans-113.4115.6-172.8-56.8165.8000107.7L770 I772 T844 L845 V847 T862 L866 L870 F877L770-I864 HydrophobicContact CD1-CD1 3.45Å; L770-I864 VanDerWaalsContact CD1-CD1 3.45Å; I772-I864 HydrophobicContact CD1-CG2 4.32Å; T844-I864 CarbonylContact C-O 3.55Å; T844-I864 WeakPolarHBondContact CA-O 3.34Å; T844-I864 WeakPolarHBondContact CG2-O 3.3Å; L845-I864 HydrophobicContact CB-CB 4.42Å; L845-I864 PolarHBondContact N-O 2.97Å; L845-I864 PolarHBondContact O-N 3.27Å; V847-I864 HydrophobicContact CG2-CD1 4.14Å; T862-I864 HydrophobicContact CG2-CD1 4.18Å; T862-I864 HydrophobicContact CG2-CG1 4.21Å; I864-L866 PolarHBondContact O-N 3.16Å; I864-L870 HydrophobicContact CG2-CD1 3.87Å; I864-F877 HydrophobicContact CB-CE1 4.39Å; I864-F877 HydrophobicContact CD1-CB 4.33Å; I864-F877 HydrophobicContact CD1-CD1 3.62Å; I864-F877 HydrophobicContact CD1-CD2 3.79Å; I864-F877 HydrophobicContact CD1-CE1 3.74Å; I864-F877 HydrophobicContact CD1-CE2 3.93Å; I864-F877 HydrophobicContact CD1-CG 3.63Å; I864-F877 HydrophobicContact CD1-CZ 3.88Å; I864-F877 HydrophobicContact CG1-CD1 3.66Å; I864-F877 HydrophobicContact CG1-CE1 3.81Å; I864-F877 HydrophobicContact CG1-CG 4.13Å; I864-F877 HydrophobicContact CG1-CZ 4.4Å; I864-F877 HydrophobicContact CG2-CD1 4.4Å; I864-F877 HydrophobicContact CG2-CE1 3.69Å; I864-F877 HydrophobicContact CG2-CZ 4.05Å
865K89.6Confident85.5Confident113 Ų11372.2 Ų72.249%0.49135%0.346SS..EExtended strand (participates in β ladder)trans-72.5126173-170.2176.3169.4-141.70107.9E867 L870K865-E867 HydrophobicContact CD-CG 4.44Å; K865-E867 VanDerWaalsContact CD-OE1 3.23Å; K865-E867 WeakPolarHBondContact CD-OE1 3.34Å; K865-E867 VanDerWaalsContact CE-OE1 3.24Å; K865-E867 WeakPolarHBondContact CE-OE1 3.48Å; K865-E867 HydrophobicContact CG-CG 4.18Å; K865-E867 IonicContact NZ-OE1 2.7Å; K865-E867 PolarHBondContact NZ-OE1 3.17Å; K865-E867 PolarHBondContact O-N 2.8Å; K865-L870 WeakPolarHBondContact O-CD1 3.31Å
866L88.5Confident86.3Confident8 Ų867.1 Ų67.14%0.04233%0.327CS..  trans-81.4104.6-176-62.1179.4000109.1I772 L779 L805 L840 I843 L845 I864I772-L866 HydrophobicContact CD1-CD2 3.95Å; I772-L866 HydrophobicContact CG2-CD2 4.11Å; L779-L866 HydrophobicContact CD1-CD1 4.14Å; L779-L866 HydrophobicContact CD2-CD1 3.58Å; L805-L866 HydrophobicContact CD2-CD1 4.28Å; L840-L866 HydrophobicContact CD2-CD1 4.09Å; I843-L866 HydrophobicContact CB-CD1 4.21Å; I843-L866 HydrophobicContact CG2-CD1 3.77Å; I843-L866 WeakPolarHBondContact O-CB 3.33Å; I843-L866 PolarHBondContact O-N 3.14Å; L845-L866 HydrophobicContact CB-CD2 3.99Å; L845-L866 HydrophobicContact CB-CG 4.33Å; I864-L866 PolarHBondContact O-N 3.16Å
867E84.7Confident86.8Confident80 Ų8064.3 Ų64.337%0.37431%0.308SS..  trans-122152.5178.9-62.6-179.9169.100109.2K865 E869 L870K865-E867 HydrophobicContact CD-CG 4.44Å; K865-E867 VanDerWaalsContact CD-OE1 3.23Å; K865-E867 WeakPolarHBondContact CD-OE1 3.34Å; K865-E867 VanDerWaalsContact CE-OE1 3.24Å; K865-E867 WeakPolarHBondContact CE-OE1 3.48Å; K865-E867 HydrophobicContact CG-CG 4.18Å; K865-E867 IonicContact NZ-OE1 2.7Å; K865-E867 PolarHBondContact NZ-OE1 3.17Å; K865-E867 PolarHBondContact O-N 2.8Å; E867-E869 PolarHBondContact O-N 2.87Å; E867-L870 PolarHBondContact O-N 3.05Å; E867-L870 VanDerWaalsContact O-N 3.08Å
868E78Confident87Confident172 Ų17265.9 Ų65.980%0.80432%0.319SS*.G310 helixtrans-58-33.8-175.8-69.9-173.7168.800112.8L870 L871E868-L870 PolarHBondContact O-N 2.98Å; E868-L870 VanDerWaalsContact O-N 3.17Å; E868-L871 WeakPolarHBondContact O-CB 3.12Å; E868-L871 PolarHBondContact O-N 3.49Å; E868-L871 VanDerWaalsContact O-N 3.11Å
869E80.4Confident86.9Confident151 Ų15163 Ų6371%0.70631%0.306SS*.G310 helixtrans-63.9-20.6179.8-61-178.5-177.500114E867E867-E869 PolarHBondContact O-N 2.87Å
870L82.8Confident86.5Confident38 Ų3863.5 Ų63.520%0.19932%0.315CS..G310 helixtrans-91-12.8179.5-51.4178.2000112.7I864 K865 E867 E868 M875I864-L870 HydrophobicContact CG2-CD1 3.87Å; K865-L870 WeakPolarHBondContact O-CD1 3.31Å; E867-L870 PolarHBondContact O-N 3.05Å; E867-L870 VanDerWaalsContact O-N 3.08Å; E868-L870 PolarHBondContact O-N 2.98Å; E868-L870 VanDerWaalsContact O-N 3.17Å; L870-M875 HydrophobicContact CB-CE 3.73Å; L870-M875 HydrophobicContact CD2-CE 3.29Å; L870-M875 HydrophobicContact CD2-SD 4.27Å; L870-M875 HydrophobicContact CG-CE 4.01Å
871L86.1Confident85Confident29 Ų2970 Ų7015%0.15235%0.35CS..BIsolated β-bridgetrans-73.8146.4-174.8-62178.5000111.4I772 L840 E868 R873I772-L871 HydrophobicContact CG2-CD2 3.94Å; I772-L871 CarbonylContact O-C 3.52Å; I772-L871 WeakPolarHBondContact O-CA 3.19Å; L840-L871 HydrophobicContact CD1-CD1 3.86Å; L840-L871 HydrophobicContact CD1-CD2 4.14Å; E868-L871 WeakPolarHBondContact O-CB 3.12Å; E868-L871 PolarHBondContact O-N 3.49Å; E868-L871 VanDerWaalsContact O-N 3.11Å; L871-R873 PolarHBondContact O-N 3.19Å
872D82.2Confident82.5Confident94 Ų9473.3 Ų73.350%0.50337%0.371SS..THydrogen-bonded Turntrans59.213.5175.5-59.7-50.7000115.7I772 S773I772-D872 PolarHBondContact O-N 2.77Å; S773-D872 WeakPolarHBondContact CB-OD1 3.4Å
873R84.1Confident79.6Confident158 Ų15878.4 Ų78.460%0.59640%0.402SS*.  trans-110.2146.2174.5-64.9178.4-177.9-174.81111.6L871 M875L871-R873 PolarHBondContact O-N 3.19Å; R873-M875 HydrophobicContact CB-CG 4.24Å
874E85.4Confident76.6Confident85 Ų8584 Ų8440%0.39742%0.424SS..EExtended strand (participates in β ladder)trans-87.2121.1169.7-59.6-163.2160.300109.6R771 K784R771-E874 HydrophobicContact CB-CG 4.19Å; R771-E874 HydrophobicContact CG-CG 4.33Å; K784-E874 WeakPolarHBondContact CD-OE1 3.23Å; K784-E874 IonicContact NZ-OE1 3.67Å; K784-E874 PolarHBondContact NZ-OE1 3.46Å; K784-E874 IonicContact NZ-OE2 2.82Å; K784-E874 PolarHBondContact NZ-OE2 2.69Å
875M88.3Confident75.8Confident49 Ų4987.9 Ų87.924%0.24144%0.444CS..EExtended strand (participates in β ladder)trans-136.5143.7-177.3-62.2-165.4-56.500112.2Q769 L770 L870 R873 F877Q769-M875 WeakPolarHBondContact CA-O 3.31Å; L770-M875 PolarHBondContact N-O 3.34Å; L770-M875 PolarHBondContact O-N 2.79Å; L870-M875 HydrophobicContact CB-CE 3.73Å; L870-M875 HydrophobicContact CD2-CE 3.29Å; L870-M875 HydrophobicContact CD2-SD 4.27Å; L870-M875 HydrophobicContact CG-CE 4.01Å; R873-M875 HydrophobicContact CB-CG 4.24Å; M875-F877 HydrophobicContact CB-CE2 3.84Å; M875-F877 HydrophobicContact CB-CZ 3.99Å; M875-F877 HydrophobicContact CE-CE1 4.12Å; M875-F877 HydrophobicContact CE-CE2 4.38Å; M875-F877 HydrophobicContact CE-CZ 3.54Å; M875-F877 WeakPolarHBondContact O-CD2 3.47Å; M875-F877 WeakPolarHBondContact O-CE2 3.34Å
876W89.5Confident75.1Confident101 Ų10186.5 Ų86.538%0.38344%0.442SS..EExtended strand (participates in β ladder)trans-87.6127.3170.7-72.298.4000109.8Q767 Q769 H785 Q787Q767-W876 HydrophobicContact CB-CE3 3.76Å; Q767-W876 HydrophobicContact CB-CZ3 4.3Å; Q769-W876 HydrophobicContact CB-CD2 3.7Å; Q769-W876 HydrophobicContact CB-CE3 3.68Å; Q769-W876 HydrophobicContact CB-CG 4.42Å; Q769-W876 HydrophobicContact CB-CH2 3.86Å; Q769-W876 HydrophobicContact CB-CZ2 3.84Å; Q769-W876 HydrophobicContact CB-CZ3 3.77Å; Q769-W876 HydrophobicContact CG-CD2 3.91Å; Q769-W876 HydrophobicContact CG-CE3 4.4Å; Q769-W876 HydrophobicContact CG-CG 4.21Å; Q769-W876 HydrophobicContact CG-CZ2 4.16Å; H785-W876 HydrophobicContact CB-CH2 3.7Å; H785-W876 HydrophobicContact CB-CZ2 4.4Å; H785-W876 HydrophobicContact CB-CZ3 4.38Å; Q787-W876 HydrophobicContact CB-CH2 4Å; Q787-W876 HydrophobicContact CB-CZ3 3.78Å
877F89.8Confident74.4Confident26 Ų2690.9 Ų90.911%0.11446%0.464CS..EExtended strand (participates in β ladder)trans-112.2129.3176.7-61.9-88.3000109.4Q767 I768 L770 T862 I864 M875Q767-F877 CarbonylContact C-O 3.59Å; Q767-F877 WeakPolarHBondContact CA-O 3.47Å; I768-F877 HydrophobicContact CG2-CB 3.95Å; I768-F877 PolarHBondContact N-O 3Å; I768-F877 PolarHBondContact O-N 2.91Å; L770-F877 HydrophobicContact CB-CD2 4.18Å; L770-F877 HydrophobicContact CB-CE2 3.92Å; L770-F877 HydrophobicContact CD1-CD2 4.03Å; L770-F877 HydrophobicContact CD1-CE2 4.21Å; L770-F877 HydrophobicContact CG-CD2 4.13Å; L770-F877 HydrophobicContact CG-CE2 4.33Å; T862-F877 HydrophobicContact CG2-CB 4.18Å; I864-F877 HydrophobicContact CB-CE1 4.39Å; I864-F877 HydrophobicContact CD1-CB 4.33Å; I864-F877 HydrophobicContact CD1-CD1 3.62Å; I864-F877 HydrophobicContact CD1-CD2 3.79Å; I864-F877 HydrophobicContact CD1-CE1 3.74Å; I864-F877 HydrophobicContact CD1-CE2 3.93Å; I864-F877 HydrophobicContact CD1-CG 3.63Å; I864-F877 HydrophobicContact CD1-CZ 3.88Å; I864-F877 HydrophobicContact CG1-CD1 3.66Å; I864-F877 HydrophobicContact CG1-CE1 3.81Å; I864-F877 HydrophobicContact CG1-CG 4.13Å; I864-F877 HydrophobicContact CG1-CZ 4.4Å; I864-F877 HydrophobicContact CG2-CD1 4.4Å; I864-F877 HydrophobicContact CG2-CE1 3.69Å; I864-F877 HydrophobicContact CG2-CZ 4.05Å; M875-F877 HydrophobicContact CB-CE2 3.84Å; M875-F877 HydrophobicContact CB-CZ 3.99Å; M875-F877 HydrophobicContact CE-CE1 4.12Å; M875-F877 HydrophobicContact CE-CE2 4.38Å; M875-F877 HydrophobicContact CE-CZ 3.54Å; M875-F877 WeakPolarHBondContact O-CD2 3.47Å; M875-F877 WeakPolarHBondContact O-CE2 3.34Å
878P89.4Confident73.7Confident81 Ų8191.5 Ų91.553%0.52647%0.469SS..EExtended strand (participates in β ladder)trans-65.7137.6174.828.2-33.3000110.5T862T862-P878 VanDerWaalsContact CB-O 3.29Å; T862-P878 WeakPolarHBondContact CB-O 3.43Å; T862-P878 PolarHBondContact OG1-O 2.91Å
879L86.9Confident73.5Confident10 Ų1086.5 Ų86.55%0.05245%0.448CS..  trans-94.4111.6172.7-66.4170.7000108.5P766 I768 L786 I789 V849 T862P766-L879 HydrophobicContact CB-CB 4.21Å; P766-L879 HydrophobicContact CB-CD1 4.43Å; P766-L879 HydrophobicContact CG-CB 4.33Å; P766-L879 WeakPolarHBondContact O-CB 3.43Å; P766-L879 PolarHBondContact O-N 3.17Å; I768-L879 HydrophobicContact CB-CD1 4.27Å; I768-L879 HydrophobicContact CB-CD2 4.18Å; I768-L879 HydrophobicContact CB-CG 4.28Å; I768-L879 HydrophobicContact CG2-CD2 3.8Å; I768-L879 HydrophobicContact CG2-CG 4.22Å; L786-L879 HydrophobicContact CD2-CD1 3.64Å; I789-L879 HydrophobicContact CG2-CD1 4.13Å; V849-L879 HydrophobicContact CG2-CD1 3.72Å; V849-L879 HydrophobicContact CG2-CD2 3.93Å; T862-L879 HydrophobicContact CG2-CD2 4.13Å
880G75.7Confident73Confident28 Ų2882.2 Ų82.229%0.28943%0.431SS..BIsolated β-bridgetrans-80.615417400000112.2A861 C882A861-G880 PolarHBondContact N-O 3.18Å; A861-G880 PolarHBondContact O-N 3.01Å; G880-C882 PolarHBondContact O-N 3.34Å
881N57.8Low72.3Confident139 Ų13985.4 Ų85.474%0.74345%0.448SS*.  trans-74.349.7159.2-80.5-23.7000110.6V883N881-V883 PolarHBondContact O-N 3.13Å
882C37.6Very low71.3Confident76 Ų7689.7 Ų89.751%0.51447%0.47SS..  trans-8487175.8-67.70000109G880 I884G880-C882 PolarHBondContact O-N 3.34Å; C882-I884 HydrophobicContact CB-CG1 4.5Å; C882-I884 PolarHBondContact O-N 3.17Å
883V32Very low70.4Confident130 Ų13089.3 Ų89.379%0.78847%0.468SS*.  trans-60.7110.2146.6-179.40000105.7N881N881-V883 PolarHBondContact O-N 3.13Å
884I28Very low69.1Low189 Ų18983.1 Ų83.197%0.96946%0.456SS*.  trans-111.70155.5-54.6177000105.9C882C882-I884 HydrophobicContact CB-CG1 4.5Å; C882-I884 PolarHBondContact O-N 3.17Å

Retrieved 884 of 884 residues in 258 ms (Link to these results)

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