A0A096NWP6_PAPAN Loading...

UDP-N-acetylhexosamine pyrophosphorylase-like protein 1

AlphaFold DB , UniProt , Accession A0A096NWP6, Species PAPAN (Papio anubis, Olive baboon), Gene UAP1L1, Length 508 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
1M61.3Low88Confident238 Ų23878.2 Ų78.2100%1.17240%0.4SS*.  0134.10-72.7-173.1-84.100107.5
2A72.1Confident88.6Confident34 Ų3482.4 Ų82.428%0.28142%0.417SS..  trans-63.3139.7174.800000109.3D6 V7 A39A2-D6 HydrophobicContact CB-CB 4.5Å; A2-V7 HydrophobicContact CB-CG2 3.88Å; A2-A39 HydrophobicContact CB-CB 4.23Å
3S87.4Confident89Confident50 Ų5085.8 Ų85.835%0.3542%0.421SS..  trans-71157.9176.474.10000110.5Q5 D6 V7S3-Q5 PolarHBondContact O-N 3.12Å; S3-D6 WeakPolarHBondContact CB-OD2 3.44Å; S3-D6 PolarHBondContact N-OD2 3.13Å; S3-D6 VanDerWaalsContact N-OD2 3.15Å; S3-D6 PolarHBondContact O-N 3.44Å; S3-D6 VanDerWaalsContact O-N 3.1Å; S3-D6 PolarHBondContact OG-N 3.06Å; S3-D6 VanDerWaalsContact OG-N 3.17Å; S3-D6 PolarHBondContact OG-OD2 2.75Å; S3-V7 PolarHBondContact O-N 2.94Å; S3-V7 VanDerWaalsContact O-N 3.07Å
4E90Very high89.4Confident74 Ų7480.1 Ų80.135%0.34640%0.395SS..Hα-helixtrans-54.1-40.6173.9-176.7-171.9148.400111.4D6 V7 R8 W23 L35E4-D6 PolarHBondContact O-N 3.42Å; E4-V7 PolarHBondContact O-N 3.22Å; E4-R8 WeakPolarHBondContact O-CB 3.43Å; E4-R8 WeakPolarHBondContact O-CG 3.35Å; E4-R8 PolarHBondContact O-N 2.92Å; E4-R8 IonicContact OE1-CZ 3.22Å; E4-R8 IonicContact OE1-NE 2.79Å; E4-R8 PolarHBondContact OE1-NE 3.45Å; E4-R8 IonicContact OE1-NH2 2.76Å; E4-R8 PolarHBondContact OE1-NH2 2.85Å; E4-W23 HydrophobicContact CG-CZ2 3.88Å; E4-W23 PolarHBondContact OE1-NE1 3.26Å; E4-W23 WeakPolarHBondContact OE2-CZ2 3.39Å; E4-W23 PolarHBondContact OE2-NE1 3.24Å; E4-W23 VanDerWaalsContact OE2-NE1 3.15Å; E4-L35 HydrophobicContact CB-CD1 4.32Å
5Q92.3Very high89.9Confident161 Ų16176.7 Ų76.775%0.75239%0.389SS*.Hα-helixtrans-62.6-41.6178.3-71.4179.8-15.100111.8S3 R8 A9S3-Q5 PolarHBondContact O-N 3.12Å; Q5-R8 PolarHBondContact O-N 3.02Å; Q5-A9 WeakPolarHBondContact O-CB 3.16Å; Q5-A9 PolarHBondContact O-N 2.65Å
6D92.2Very high90.3Very high82 Ų8272.4 Ų72.444%0.43937%0.367SS..Hα-helixtrans-64.3-45.8177.6-61.8-43.6000111.4A2 S3 E4 A9 R10A2-D6 HydrophobicContact CB-CB 4.5Å; S3-D6 WeakPolarHBondContact CB-OD2 3.44Å; S3-D6 PolarHBondContact N-OD2 3.13Å; S3-D6 VanDerWaalsContact N-OD2 3.15Å; S3-D6 PolarHBondContact O-N 3.44Å; S3-D6 VanDerWaalsContact O-N 3.1Å; S3-D6 PolarHBondContact OG-N 3.06Å; S3-D6 VanDerWaalsContact OG-N 3.17Å; S3-D6 PolarHBondContact OG-OD2 2.75Å; E4-D6 PolarHBondContact O-N 3.42Å; D6-A9 PolarHBondContact O-N 3.03Å; D6-R10 WeakPolarHBondContact O-CB 3.19Å; D6-R10 VanDerWaalsContact O-CG 3.22Å; D6-R10 WeakPolarHBondContact O-CG 3.49Å; D6-R10 PolarHBondContact O-N 3.41Å
7V93.1Very high90.7Very high2 Ų275.1 Ų75.11%0.01238%0.378CS..Hα-helixtrans-64-42.6178.9175.80000110.6A2 S3 E4 A9 R10 L11 L35 L38A2-V7 HydrophobicContact CB-CG2 3.88Å; S3-V7 PolarHBondContact O-N 2.94Å; S3-V7 VanDerWaalsContact O-N 3.07Å; E4-V7 PolarHBondContact O-N 3.22Å; V7-A9 PolarHBondContact O-N 2.84Å; V7-R10 WeakPolarHBondContact O-CB 3.36Å; V7-R10 PolarHBondContact O-N 3.15Å; V7-L11 HydrophobicContact CG1-CD1 4.04Å; V7-L11 HydrophobicContact CG1-CG 4.36Å; V7-L11 VanDerWaalsContact O-CG 3.31Å; V7-L11 WeakPolarHBondContact O-CG 3.44Å; V7-L11 PolarHBondContact O-N 3.18Å; V7-L35 HydrophobicContact CB-CD2 3.77Å; V7-L35 HydrophobicContact CG1-CD2 3.84Å; V7-L35 HydrophobicContact CG2-CD2 3.88Å; V7-L38 HydrophobicContact CG1-CB 3.82Å; V7-L38 HydrophobicContact CG1-CD1 4.25Å
8R94.7Very high91Very high95 Ų9573.7 Ų73.736%0.35837%0.37SS..Hα-helixtrans-57.4-49173.9-77.1179.2-175.5-70.6-3.5111.9E4 Q5 R10 L11 Q12 L20E4-R8 WeakPolarHBondContact O-CB 3.43Å; E4-R8 WeakPolarHBondContact O-CG 3.35Å; E4-R8 PolarHBondContact O-N 2.92Å; E4-R8 IonicContact OE1-CZ 3.22Å; E4-R8 IonicContact OE1-NE 2.79Å; E4-R8 PolarHBondContact OE1-NE 3.45Å; E4-R8 IonicContact OE1-NH2 2.76Å; E4-R8 PolarHBondContact OE1-NH2 2.85Å; Q5-R8 PolarHBondContact O-N 3.02Å; R8-R10 VanDerWaalsContact C-N 3.32Å; R8-R10 PolarHBondContact O-N 2.92Å; R8-L11 PolarHBondContact O-N 3.02Å; R8-Q12 WeakPolarHBondContact O-CB 3.44Å; R8-Q12 PolarHBondContact O-N 3.06Å; R8-L20 HydrophobicContact CB-CD1 4.46Å; R8-L20 HydrophobicContact CG-CD1 3.43Å; R8-L20 VanDerWaalsContact CG-CD1 3.43Å
9A94Very high91.3Very high47 Ų4769.9 Ų69.939%0.38835%0.35SS..Hα-helixtrans-63.2-37.6179.400000112.4Q5 D6 V7 R13Q5-A9 WeakPolarHBondContact O-CB 3.16Å; Q5-A9 PolarHBondContact O-N 2.65Å; D6-A9 PolarHBondContact O-N 3.03Å; V7-A9 PolarHBondContact O-N 2.84Å; A9-R13 WeakPolarHBondContact O-CG 3.46Å; A9-R13 PolarHBondContact O-N 3.18Å; A9-R13 VanDerWaalsContact O-N 3.08Å
10R94.8Very high91.6Very high72 Ų7266.9 Ų66.927%0.27234%0.335SS..Hα-helixtrans-61.8-49.5173.5-77176.7-174.5-142-1.9111.9D6 V7 R8 Q12 R13 A14 E42 P43D6-R10 WeakPolarHBondContact O-CB 3.19Å; D6-R10 VanDerWaalsContact O-CG 3.22Å; D6-R10 WeakPolarHBondContact O-CG 3.49Å; D6-R10 PolarHBondContact O-N 3.41Å; V7-R10 WeakPolarHBondContact O-CB 3.36Å; V7-R10 PolarHBondContact O-N 3.15Å; R8-R10 VanDerWaalsContact C-N 3.32Å; R8-R10 PolarHBondContact O-N 2.92Å; R10-Q12 VanDerWaalsContact C-N 3.33Å; R10-Q12 PolarHBondContact O-N 2.76Å; R10-R13 PolarHBondContact O-N 3.43Å; R10-A14 PolarHBondContact O-N 2.86Å; R10-A14 VanDerWaalsContact O-N 3.07Å; R10-E42 IonicContact NH1-OE1 3.37Å; R10-E42 PolarHBondContact NH1-OE1 3.15Å; R10-P43 HydrophobicContact CB-CB 4.43Å; R10-P43 HydrophobicContact CB-CG 3.69Å; R10-P43 HydrophobicContact CG-CG 3.59Å
11L95.9Very high91.8Very high5 Ų568.2 Ų68.23%0.02634%0.337CS..Hα-helixtrans-64-38.7178.4-68.4172.5000112.4V7 R8 A14 G15 Q16 L19 L20 L38 L46V7-L11 HydrophobicContact CG1-CD1 4.04Å; V7-L11 HydrophobicContact CG1-CG 4.36Å; V7-L11 VanDerWaalsContact O-CG 3.31Å; V7-L11 WeakPolarHBondContact O-CG 3.44Å; V7-L11 PolarHBondContact O-N 3.18Å; R8-L11 PolarHBondContact O-N 3.02Å; L11-A14 CarbonylContact O-C 3.53Å; L11-A14 PolarHBondContact O-N 3.06Å; L11-A14 VanDerWaalsContact O-N 3.13Å; L11-G15 PolarHBondContact O-N 3.03Å; L11-Q16 HydrophobicContact CD2-CB 4.13Å; L11-Q16 PolarHBondContact O-N 2.95Å; L11-L19 HydrophobicContact CD1-CB 4.4Å; L11-L19 HydrophobicContact CD2-CD1 3.96Å; L11-L20 HydrophobicContact CD1-CD1 3.64Å; L11-L20 HydrophobicContact CD1-CG 3.74Å; L11-L38 HydrophobicContact CD1-CD1 4.13Å; L11-L38 HydrophobicContact CD2-CD2 4.39Å; L11-L46 HydrophobicContact CD2-CD2 4.41Å
12Q95Very high93.5Very high129 Ų12957.3 Ų57.360%0.60328%0.282SS*.Hα-helixtrans-61.2-45.3175.1-170.2178.218.600111.1R8 R10 A14 G15R8-Q12 WeakPolarHBondContact O-CB 3.44Å; R8-Q12 PolarHBondContact O-N 3.06Å; R10-Q12 VanDerWaalsContact C-N 3.33Å; R10-Q12 PolarHBondContact O-N 2.76Å; Q12-A14 PolarHBondContact O-N 2.79Å; Q12-G15 PolarHBondContact O-N 2.8Å
13R93.9Very high94.6Very high126 Ų12656.7 Ų56.748%0.47527%0.273SS..Hα-helixtrans-60.1-31.8173.7-75.7-170-69.8147.8-11113.2A9 R10 E44A9-R13 WeakPolarHBondContact O-CG 3.46Å; A9-R13 PolarHBondContact O-N 3.18Å; A9-R13 VanDerWaalsContact O-N 3.08Å; R10-R13 PolarHBondContact O-N 3.43Å; R13-E44 IonicContact CZ-OE1 3.97Å; R13-E44 IonicContact NH1-OE1 2.86Å; R13-E44 PolarHBondContact NH1-OE1 3.22Å; R13-E44 IonicContact NH1-OE2 3.82Å
14A95.3Very high95Very high7 Ų758.4 Ų58.46%0.05829%0.29CS..Hα-helixtrans-85.4-9.2176.700000114.1R10 L11 Q12 Q16 L46 R47R10-A14 PolarHBondContact O-N 2.86Å; R10-A14 VanDerWaalsContact O-N 3.07Å; L11-A14 CarbonylContact O-C 3.53Å; L11-A14 PolarHBondContact O-N 3.06Å; L11-A14 VanDerWaalsContact O-N 3.13Å; Q12-A14 PolarHBondContact O-N 2.79Å; A14-Q16 HydrophobicContact CB-CG 4.09Å; A14-L46 HydrophobicContact CB-CB 4.45Å; A14-L46 HydrophobicContact CB-CD2 4.14Å; A14-L46 HydrophobicContact CB-CG 4.43Å; A14-R47 HydrophobicContact CB-CB 4.3Å
15G95.9Very high95.3Very high29 Ų2960.5 Ų60.530%0.29930%0.3SS..THydrogen-bonded Turntrans70.527.2-173.800000114.2L11 Q12 K210L11-G15 PolarHBondContact O-N 3.03Å; Q12-G15 PolarHBondContact O-N 2.8Å; G15-K210 PolarHBondContact O-NZ 3.08Å
16Q97.6Very high95.5Very high7 Ų753.6 Ų53.63%0.03327%0.268CS..  trans-122.129.2-172.9-54-62.4-35.400112.6L11 A14 H18 L19 L46 C50 G209 V211L11-Q16 HydrophobicContact CD2-CB 4.13Å; L11-Q16 PolarHBondContact O-N 2.95Å; A14-Q16 HydrophobicContact CB-CG 4.09Å; Q16-H18 PolarHBondContact O-N 2.96Å; Q16-H18 PolarHBondContact OE1-CE1 2.99Å; Q16-L19 HydrophobicContact CB-CD1 4.18Å; Q16-L19 HydrophobicContact CB-CG 4.43Å; Q16-L19 WeakPolarHBondContact O-CB 3.3Å; Q16-L19 WeakPolarHBondContact O-CG 3.26Å; Q16-L19 PolarHBondContact O-N 3.44Å; Q16-L46 HydrophobicContact CB-CD2 4.29Å; Q16-L46 HydrophobicContact CG-CD2 3.94Å; Q16-L46 HydrophobicContact CG-CG 4.26Å; Q16-C50 PolarHBondContact NE2-SG 3.03Å; Q16-C50 VanDerWaalsContact NE2-SG 3.36Å; Q16-G209 PolarHBondContact NE2-O 3.33Å; Q16-V211 HydrophobicContact CG-CG2 4.26Å
17E96.3Very high95.6Very high119 Ų11952 Ų5256%0.55627%0.266SS*.G310 helixtrans-62.5-22.1-178.762.7-159.8-178.100114.2L19 L20E17-L19 PolarHBondContact O-N 2.69Å; E17-L19 VanDerWaalsContact O-N 3.15Å; E17-L20 PolarHBondContact O-N 3.47Å; E17-L20 VanDerWaalsContact O-N 3.12Å
18H96.6Very high95.7Very high50 Ų5056.3 Ų56.323%0.23129%0.294CS..G310 helixtrans-63.4-17.4176.672.5-69.1000113Q16 L20 R21 V211Q16-H18 PolarHBondContact O-N 2.96Å; Q16-H18 PolarHBondContact OE1-CE1 2.99Å; H18-L20 PolarHBondContact O-N 2.94Å; H18-L20 VanDerWaalsContact O-N 3.14Å; H18-R21 VanDerWaalsContact O-CB 3.29Å; H18-R21 WeakPolarHBondContact O-CB 3.24Å; H18-R21 VanDerWaalsContact O-CG 3.24Å; H18-R21 WeakPolarHBondContact O-CG 3.29Å; H18-R21 PolarHBondContact O-N 3.46Å; H18-V211 PolarHBondContact NE2-O 3.48Å
19L97.1Very high95.7Very high1 Ų158.5 Ų58.51%0.00531%0.309CS..G310 helixtrans-61.6-18.2173.4-65.4-176.8000113.2L11 Q16 E17 L38 V211 L213L11-L19 HydrophobicContact CD1-CB 4.4Å; L11-L19 HydrophobicContact CD2-CD1 3.96Å; Q16-L19 HydrophobicContact CB-CD1 4.18Å; Q16-L19 HydrophobicContact CB-CG 4.43Å; Q16-L19 WeakPolarHBondContact O-CB 3.3Å; Q16-L19 WeakPolarHBondContact O-CG 3.26Å; Q16-L19 PolarHBondContact O-N 3.44Å; E17-L19 PolarHBondContact O-N 2.69Å; E17-L19 VanDerWaalsContact O-N 3.15Å; L19-L38 HydrophobicContact CB-CD2 4.3Å; L19-L38 HydrophobicContact CD1-CD2 3.63Å; L19-V211 HydrophobicContact CD1-CB 3.97Å; L19-V211 HydrophobicContact CD1-CG1 3.96Å; L19-V211 HydrophobicContact CD1-CG2 4.43Å; L19-V211 HydrophobicContact CD2-CB 3.85Å; L19-V211 HydrophobicContact CD2-CG1 3.76Å; L19-V211 HydrophobicContact CG-CB 4.31Å; L19-V211 HydrophobicContact CG-CG1 4.45Å; L19-L213 HydrophobicContact CD2-CD2 3.85Å; L19-L213 HydrophobicContact CD2-CG 3.77Å
20L96.4Very high95.7Very high10 Ų1057.8 Ų57.85%0.05230%0.301CS..G310 helixtrans-105.114.6176-63175.7000113.2R8 L11 E17 H18 F22 W23 L34 L38R8-L20 HydrophobicContact CB-CD1 4.46Å; R8-L20 HydrophobicContact CG-CD1 3.43Å; R8-L20 VanDerWaalsContact CG-CD1 3.43Å; L11-L20 HydrophobicContact CD1-CD1 3.64Å; L11-L20 HydrophobicContact CD1-CG 3.74Å; E17-L20 PolarHBondContact O-N 3.47Å; E17-L20 VanDerWaalsContact O-N 3.12Å; H18-L20 PolarHBondContact O-N 2.94Å; H18-L20 VanDerWaalsContact O-N 3.14Å; L20-F22 PolarHBondContact O-N 2.96Å; L20-W23 HydrophobicContact CB-CB 4.39Å; L20-W23 HydrophobicContact CD2-CD2 4.4Å; L20-W23 HydrophobicContact CD2-CE3 3.7Å; L20-W23 HydrophobicContact CD2-CZ3 4.17Å; L20-W23 WeakPolarHBondContact O-CB 3.44Å; L20-W23 PolarHBondContact O-N 3.23Å; L20-L34 HydrophobicContact CD2-CD2 3.98Å; L20-L38 HydrophobicContact CD2-CD1 3.78Å; L20-L38 HydrophobicContact CG-CD1 4.42Å
21R95.9Very high95.7Very high95 Ų9558 Ų5836%0.35830%0.301SS..THydrogen-bonded Turntrans-58.3-34.4-176.669.3-174.5167.9166.82.2113.7H18 V364 D365H18-R21 VanDerWaalsContact O-CB 3.29Å; H18-R21 WeakPolarHBondContact O-CB 3.24Å; H18-R21 VanDerWaalsContact O-CG 3.24Å; H18-R21 WeakPolarHBondContact O-CG 3.29Å; H18-R21 PolarHBondContact O-N 3.46Å; R21-V364 PolarHBondContact NH2-O 3.31Å; R21-D365 VanDerWaalsContact CZ-O 3.27Å; R21-D365 PolarHBondContact NH1-O 2.98Å; R21-D365 PolarHBondContact NH2-O 3.02Å
22F96.9Very high95.6Very high8 Ų860.6 Ų60.64%0.03532%0.324CS..THydrogen-bonded Turntrans-94.17.2-180-61.4-60.3000113.9L20 A24 E25 L26 L213 K216 V364 D365L20-F22 PolarHBondContact O-N 2.96Å; F22-A24 PolarHBondContact O-N 3.13Å; F22-A24 VanDerWaalsContact O-N 3.12Å; F22-E25 WeakPolarHBondContact CD1-OE1 3.37Å; F22-E25 WeakPolarHBondContact O-CB 3.43Å; F22-E25 PolarHBondContact O-N 2.93Å; F22-L26 PolarHBondContact O-N 3.48Å; F22-L213 HydrophobicContact CD2-CD1 4.29Å; F22-K216 HydrophobicContact CB-CB 3.87Å; F22-K216 HydrophobicContact CB-CD 4.19Å; F22-K216 HydrophobicContact CB-CG 4.1Å; F22-K216 HydrophobicContact CD1-CD 4.2Å; F22-K216 HydrophobicContact CD1-CG 4.36Å; F22-K216 HydrophobicContact CD2-CB 3.95Å; F22-K216 HydrophobicContact CD2-CD 4.44Å; F22-K216 HydrophobicContact CD2-CG 3.73Å; F22-K216 HydrophobicContact CE2-CG 4.19Å; F22-K216 HydrophobicContact CG-CB 4.05Å; F22-K216 HydrophobicContact CG-CD 4.03Å; F22-K216 HydrophobicContact CG-CG 3.81Å; F22-V364 HydrophobicContact CD2-CG1 4.42Å; F22-V364 HydrophobicContact CE2-CB 4.48Å; F22-V364 HydrophobicContact CE2-CG1 3.84Å; F22-V364 HydrophobicContact CE2-CG2 3.81Å; F22-V364 HydrophobicContact CZ-CG2 4.13Å; F22-D365 VanDerWaalsContact CZ-O 3.26Å; F22-D365 WeakPolarHBondContact CZ-O 3.41Å
23W96Very high95.5Very high21 Ų2157.3 Ų57.38%0.0832%0.319CS..G310 helixtrans-52.2-41.7-171.9-177.5-103.3000113.7E4 L20 E25 L26 R31 L34 L35E4-W23 HydrophobicContact CG-CZ2 3.88Å; E4-W23 PolarHBondContact OE1-NE1 3.26Å; E4-W23 WeakPolarHBondContact OE2-CZ2 3.39Å; E4-W23 PolarHBondContact OE2-NE1 3.24Å; E4-W23 VanDerWaalsContact OE2-NE1 3.15Å; L20-W23 HydrophobicContact CB-CB 4.39Å; L20-W23 HydrophobicContact CD2-CD2 4.4Å; L20-W23 HydrophobicContact CD2-CE3 3.7Å; L20-W23 HydrophobicContact CD2-CZ3 4.17Å; L20-W23 WeakPolarHBondContact O-CB 3.44Å; L20-W23 PolarHBondContact O-N 3.23Å; W23-E25 PolarHBondContact O-N 3.39Å; W23-L26 HydrophobicContact CE3-CD1 4.3Å; W23-L26 PolarHBondContact O-N 3.27Å; W23-R31 HydrophobicContact CD2-CG 4.04Å; W23-R31 HydrophobicContact CE3-CB 4.4Å; W23-R31 HydrophobicContact CE3-CG 3.91Å; W23-R31 HydrophobicContact CH2-CB 3.32Å; W23-R31 HydrophobicContact CH2-CG 3.59Å; W23-R31 WeakPolarHBondContact CH2-O 3.47Å; W23-R31 HydrophobicContact CZ2-CB 3.83Å; W23-R31 HydrophobicContact CZ2-CG 3.76Å; W23-R31 HydrophobicContact CZ3-CB 3.67Å; W23-R31 HydrophobicContact CZ3-CG 3.69Å; W23-R31 WeakPolarHBondContact CZ3-O 3.41Å; W23-R31 VanDerWaalsContact O-CZ 3.29Å; W23-R31 PolarHBondContact O-NE 3.21Å; W23-R31 PolarHBondContact O-NH2 2.9Å; W23-L34 HydrophobicContact CE3-CD2 4.29Å; W23-L34 HydrophobicContact CZ3-CD2 4.39Å; W23-L35 HydrophobicContact CH2-CD1 3.44Å; W23-L35 VanDerWaalsContact CH2-CD1 3.44Å; W23-L35 HydrophobicContact CH2-CD2 3.89Å; W23-L35 HydrophobicContact CH2-CG 3.41Å; W23-L35 VanDerWaalsContact CH2-CG 3.41Å; W23-L35 HydrophobicContact CZ2-CD1 4.08Å; W23-L35 HydrophobicContact CZ2-CG 4.4Å; W23-L35 HydrophobicContact CZ3-CD1 4.35Å; W23-L35 HydrophobicContact CZ3-CD2 4.11Å; W23-L35 HydrophobicContact CZ3-CG 3.82Å
24A95.5Very high95.5Very high86 Ų8651.3 Ų51.371%0.71130%0.296SS*.G310 helixtrans-61.8-27.6-179.700000113.2F22 R31F22-A24 PolarHBondContact O-N 3.13Å; F22-A24 VanDerWaalsContact O-N 3.12Å; A24-R31 PolarHBondContact O-NH2 3.39Å
25E95.6Very high95.5Very high118 Ų11852.3 Ų52.355%0.55130%0.3SS*.G310 helixtrans-89.1-15.6-177.9-59172.4-138.200113.1F22 W23 K216F22-E25 WeakPolarHBondContact CD1-OE1 3.37Å; F22-E25 WeakPolarHBondContact O-CB 3.43Å; F22-E25 PolarHBondContact O-N 2.93Å; W23-E25 PolarHBondContact O-N 3.39Å; E25-K216 IonicContact OE2-NZ 2.65Å; E25-K216 PolarHBondContact OE2-NZ 2.84Å
26L96Very high95.3Very high17 Ų1753.8 Ų53.89%0.08931%0.31CS..SBendtrans-76.7139.1-176.4-62-174000112.2F22 W23 R31 L34 K216 D217F22-L26 PolarHBondContact O-N 3.48Å; W23-L26 HydrophobicContact CE3-CD1 4.3Å; W23-L26 PolarHBondContact O-N 3.27Å; L26-R31 HydrophobicContact CB-CG 3.6Å; L26-R31 HydrophobicContact CD1-CG 4.44Å; L26-R31 PolarHBondContact O-NE 2.86Å; L26-R31 VanDerWaalsContact O-NE 3.13Å; L26-R31 PolarHBondContact O-NH2 3.12Å; L26-L34 HydrophobicContact CD1-CD2 3.81Å; L26-K216 HydrophobicContact CD2-CB 3.77Å; L26-D217 HydrophobicContact CD1-CB 3.95Å; L26-D217 HydrophobicContact CD2-CB 3.87Å
27A95.9Very high95Very high47 Ų4754.7 Ų54.739%0.38831%0.314SS..  trans-64.4156167.600000111.2E29 S30 R31A27-E29 PolarHBondContact O-N 3.11Å; A27-S30 PolarHBondContact O-N 3.46Å; A27-R31 WeakPolarHBondContact O-CG 3.38Å; A27-R31 PolarHBondContact O-N 3.22Å
28P94.9Very high94.9Very high94 Ų9449.3 Ų49.361%0.6129%0.289SS*.Hα-helixtrans-52.6-38.1-178.8-27.936.4000114.5R31 A32P28-R31 WeakPolarHBondContact O-CB 3.34Å; P28-R31 PolarHBondContact O-N 3.14Å; P28-A32 PolarHBondContact O-N 3.15Å
29E94.3Very high94.7Very high141 Ų14148.2 Ų48.266%0.65929%0.289SS*.Hα-helixtrans-69.5-46.6-179.9-60.173.6-160.900111.4A27 R31 A32 A33A27-E29 PolarHBondContact O-N 3.11Å; E29-R31 VanDerWaalsContact C-N 3.29Å; E29-R31 PolarHBondContact O-N 3.19Å; E29-A32 PolarHBondContact O-N 3.41Å; E29-A33 PolarHBondContact O-N 2.79Å
30S94.2Very high94.3Very high32 Ų3255.2 Ų55.222%0.22433%0.325CS..Hα-helixtrans-61.9-37.5174.3-74.20000111.9A27 A33 L34 D217A27-S30 PolarHBondContact O-N 3.46Å; S30-A33 PolarHBondContact O-N 3.03Å; S30-L34 WeakPolarHBondContact O-CB 3.5Å; S30-L34 PolarHBondContact O-N 3.36Å; S30-D217 WeakPolarHBondContact CB-OD2 3.46Å; S30-D217 PolarHBondContact OG-OD2 2.77Å
31R95.1Very high94Very high75 Ų7556 Ų5628%0.28333%0.329SS..Hα-helixtrans-60.7-47.5173.4-78.1-175.1-178.7165.410.5111.9W23 A24 L26 A27 P28 E29 L34 L35W23-R31 HydrophobicContact CD2-CG 4.04Å; W23-R31 HydrophobicContact CE3-CB 4.4Å; W23-R31 HydrophobicContact CE3-CG 3.91Å; W23-R31 HydrophobicContact CH2-CB 3.32Å; W23-R31 HydrophobicContact CH2-CG 3.59Å; W23-R31 WeakPolarHBondContact CH2-O 3.47Å; W23-R31 HydrophobicContact CZ2-CB 3.83Å; W23-R31 HydrophobicContact CZ2-CG 3.76Å; W23-R31 HydrophobicContact CZ3-CB 3.67Å; W23-R31 HydrophobicContact CZ3-CG 3.69Å; W23-R31 WeakPolarHBondContact CZ3-O 3.41Å; W23-R31 VanDerWaalsContact O-CZ 3.29Å; W23-R31 PolarHBondContact O-NE 3.21Å; W23-R31 PolarHBondContact O-NH2 2.9Å; A24-R31 PolarHBondContact O-NH2 3.39Å; L26-R31 HydrophobicContact CB-CG 3.6Å; L26-R31 HydrophobicContact CD1-CG 4.44Å; L26-R31 PolarHBondContact O-NE 2.86Å; L26-R31 VanDerWaalsContact O-NE 3.13Å; L26-R31 PolarHBondContact O-NH2 3.12Å; A27-R31 WeakPolarHBondContact O-CG 3.38Å; A27-R31 PolarHBondContact O-N 3.22Å; P28-R31 WeakPolarHBondContact O-CB 3.34Å; P28-R31 PolarHBondContact O-N 3.14Å; E29-R31 VanDerWaalsContact C-N 3.29Å; E29-R31 PolarHBondContact O-N 3.19Å; R31-L34 PolarHBondContact O-N 3.23Å; R31-L35 WeakPolarHBondContact O-CG 3.48Å; R31-L35 PolarHBondContact O-N 3Å
32A93.1Very high93.8Very high60 Ų6056.3 Ų56.350%0.49634%0.335SS..Hα-helixtrans-63-43.2178.800000111.7P28 E29 L35 A36P28-A32 PolarHBondContact O-N 3.15Å; E29-A32 PolarHBondContact O-N 3.41Å; A32-L35 PolarHBondContact O-N 3.46Å; A32-A36 WeakPolarHBondContact O-CB 3.4Å; A32-A36 PolarHBondContact O-N 3.1Å
33A92.6Very high93.5Very high60 Ų6056 Ų5650%0.49633%0.334SS..Hα-helixtrans-62.5-47.2177.200000112.2E29 S30 L35 A36 E37E29-A33 PolarHBondContact O-N 2.79Å; S30-A33 PolarHBondContact O-N 3.03Å; A33-L35 PolarHBondContact O-N 2.9Å; A33-A36 PolarHBondContact O-N 3.15Å; A33-E37 PolarHBondContact O-N 2.72Å
34L94.9Very high93.4Very high1 Ų159 Ų591%0.00535%0.349CS..Hα-helixtrans-62.7-42.1177.8-179.662.4000111.7L20 W23 L26 S30 R31 A36 E37 L38L20-L34 HydrophobicContact CD2-CD2 3.98Å; W23-L34 HydrophobicContact CE3-CD2 4.29Å; W23-L34 HydrophobicContact CZ3-CD2 4.39Å; L26-L34 HydrophobicContact CD1-CD2 3.81Å; S30-L34 WeakPolarHBondContact O-CB 3.5Å; S30-L34 PolarHBondContact O-N 3.36Å; R31-L34 PolarHBondContact O-N 3.23Å; L34-A36 VanDerWaalsContact C-N 3.33Å; L34-A36 PolarHBondContact O-N 2.64Å; L34-E37 PolarHBondContact O-N 3.03Å; L34-L38 HydrophobicContact CD1-CD1 3.77Å; L34-L38 HydrophobicContact CD1-CD2 4.5Å; L34-L38 HydrophobicContact CD1-CG 3.95Å; L34-L38 HydrophobicContact CD2-CD1 4.3Å; L34-L38 HydrophobicContact CG-CD1 3.67Å; L34-L38 HydrophobicContact CG-CG 4.26Å; L34-L38 WeakPolarHBondContact O-CB 3.16Å; L34-L38 WeakPolarHBondContact O-CG 3.41Å; L34-L38 PolarHBondContact O-N 3.29Å
35L94.4Very high93.1Very high28 Ų2857.9 Ų57.915%0.14734%0.339CS..Hα-helixtrans-63.6-38.6175.6-73176.6000112.3E4 V7 W23 R31 A32 A33 A39E4-L35 HydrophobicContact CB-CD1 4.32Å; V7-L35 HydrophobicContact CB-CD2 3.77Å; V7-L35 HydrophobicContact CG1-CD2 3.84Å; V7-L35 HydrophobicContact CG2-CD2 3.88Å; W23-L35 HydrophobicContact CH2-CD1 3.44Å; W23-L35 VanDerWaalsContact CH2-CD1 3.44Å; W23-L35 HydrophobicContact CH2-CD2 3.89Å; W23-L35 HydrophobicContact CH2-CG 3.41Å; W23-L35 VanDerWaalsContact CH2-CG 3.41Å; W23-L35 HydrophobicContact CZ2-CD1 4.08Å; W23-L35 HydrophobicContact CZ2-CG 4.4Å; W23-L35 HydrophobicContact CZ3-CD1 4.35Å; W23-L35 HydrophobicContact CZ3-CD2 4.11Å; W23-L35 HydrophobicContact CZ3-CG 3.82Å; R31-L35 WeakPolarHBondContact O-CG 3.48Å; R31-L35 PolarHBondContact O-N 3Å; A32-L35 PolarHBondContact O-N 3.46Å; A33-L35 PolarHBondContact O-N 2.9Å; L35-A39 WeakPolarHBondContact O-CB 3.25Å; L35-A39 PolarHBondContact O-N 3.07Å
36A92.2Very high93Very high60 Ų6052.7 Ų52.750%0.49632%0.315SS..Hα-helixtrans-63-44.617700000111.3A32 A33 L34 A39A32-A36 WeakPolarHBondContact O-CB 3.4Å; A32-A36 PolarHBondContact O-N 3.1Å; A33-A36 PolarHBondContact O-N 3.15Å; L34-A36 VanDerWaalsContact C-N 3.33Å; L34-A36 PolarHBondContact O-N 2.64Å; A36-A39 PolarHBondContact O-N 3.17Å
37E92.2Very high93Very high26 Ų2657.5 Ų57.512%0.12133%0.332CS..Hα-helixtrans-62.6-49.2175.7-179.6171.6-129.400111.7A33 L34 A39 L40 K218 V219A33-E37 PolarHBondContact O-N 2.72Å; L34-E37 PolarHBondContact O-N 3.03Å; E37-A39 VanDerWaalsContact C-N 3.28Å; E37-A39 PolarHBondContact O-N 2.92Å; E37-L40 WeakPolarHBondContact O-CB 3.16Å; E37-L40 PolarHBondContact O-N 3.44Å; E37-K218 WeakPolarHBondContact OE1-CE 3.33Å; E37-K218 IonicContact OE1-NZ 2.72Å; E37-K218 PolarHBondContact OE1-NZ 3.16Å; E37-K218 IonicContact OE2-NZ 4Å; E37-V219 HydrophobicContact CG-CG2 4.48Å; E37-V219 PolarHBondContact OE2-N 2.94Å
38L93.7Very high92.8Very high5 Ų558.7 Ų58.73%0.02633%0.33CS..Hα-helixtrans-67.7-27.6-178.7-66172.6000112.9V7 L11 L19 L20 L34 L40 L41 V219V7-L38 HydrophobicContact CG1-CB 3.82Å; V7-L38 HydrophobicContact CG1-CD1 4.25Å; L11-L38 HydrophobicContact CD1-CD1 4.13Å; L11-L38 HydrophobicContact CD2-CD2 4.39Å; L19-L38 HydrophobicContact CB-CD2 4.3Å; L19-L38 HydrophobicContact CD1-CD2 3.63Å; L20-L38 HydrophobicContact CD2-CD1 3.78Å; L20-L38 HydrophobicContact CG-CD1 4.42Å; L34-L38 HydrophobicContact CD1-CD1 3.77Å; L34-L38 HydrophobicContact CD1-CD2 4.5Å; L34-L38 HydrophobicContact CD1-CG 3.95Å; L34-L38 HydrophobicContact CD2-CD1 4.3Å; L34-L38 HydrophobicContact CG-CD1 3.67Å; L34-L38 HydrophobicContact CG-CG 4.26Å; L34-L38 WeakPolarHBondContact O-CB 3.16Å; L34-L38 WeakPolarHBondContact O-CG 3.41Å; L34-L38 PolarHBondContact O-N 3.29Å; L38-L40 PolarHBondContact O-N 3.47Å; L38-L41 HydrophobicContact CD2-CD1 4.07Å; L38-L41 PolarHBondContact O-N 3.33Å; L38-V219 HydrophobicContact CD2-CG2 3.75Å
39A91.5Very high92.7Very high28 Ų2855.4 Ų55.423%0.23131%0.306CS..Hα-helixtrans-68-22.3176.800000113.2A2 L35 A36 E37 L41A2-A39 HydrophobicContact CB-CB 4.23Å; L35-A39 WeakPolarHBondContact O-CB 3.25Å; L35-A39 PolarHBondContact O-N 3.07Å; A36-A39 PolarHBondContact O-N 3.17Å; E37-A39 VanDerWaalsContact C-N 3.28Å; E37-A39 PolarHBondContact O-N 2.92Å; A39-L41 VanDerWaalsContact C-N 3.29Å
40L89.6Confident92.7Very high148 Ų14848.9 Ų48.978%0.77528%0.276SS*.THydrogen-bonded Turntrans-77.4-16.1174.8-61.1174.4000112.6E37 L38 E42E37-L40 WeakPolarHBondContact O-CB 3.16Å; E37-L40 PolarHBondContact O-N 3.44Å; L38-L40 PolarHBondContact O-N 3.47Å; L40-E42 PolarHBondContact O-N 2.94Å
41L89.6Confident92.7Very high26 Ų2652.4 Ų52.414%0.13629%0.285CS..SBendtrans-87.399.3179.6-55.7-179.6000110L38 A39 L46 P203 M221L38-L41 HydrophobicContact CD2-CD1 4.07Å; L38-L41 PolarHBondContact O-N 3.33Å; A39-L41 VanDerWaalsContact C-N 3.29Å; L41-L46 HydrophobicContact CB-CD2 4.18Å; L41-L46 HydrophobicContact CD1-CD1 4.35Å; L41-L46 HydrophobicContact CD1-CD2 4.22Å; L41-P203 HydrophobicContact CD1-CG 4.23Å; L41-P203 HydrophobicContact CD2-CG 3.89Å; L41-M221 HydrophobicContact CD2-CE 4.42Å
42E91.1Very high92.4Very high101 Ų10153.4 Ų53.447%0.47229%0.288SS..  trans-64.5129.8176.7-82.4-59.4128.500111.1R10 L40 E44 A45 L46R10-E42 IonicContact NH1-OE1 3.37Å; R10-E42 PolarHBondContact NH1-OE1 3.15Å; L40-E42 PolarHBondContact O-N 2.94Å; E42-E44 PolarHBondContact O-N 2.98Å; E42-A45 HydrophobicContact CB-CB 4.24Å; E42-A45 PolarHBondContact O-N 3.39Å; E42-L46 WeakPolarHBondContact O-CB 3.48Å; E42-L46 PolarHBondContact O-N 3.08Å
43P90.9Very high92.3Very high2 Ų250.5 Ų50.51%0.01327%0.265CS..Hα-helixtrans-62.2-43.4-164.3-20.631.1000113.6R10 L46 R47R10-P43 HydrophobicContact CB-CB 4.43Å; R10-P43 HydrophobicContact CB-CG 3.69Å; R10-P43 HydrophobicContact CG-CG 3.59Å; P43-L46 PolarHBondContact O-N 2.86Å; P43-R47 WeakPolarHBondContact O-CB 3.38Å; P43-R47 PolarHBondContact O-N 3.41Å
44E93.4Very high92.2Very high85 Ų8548.8 Ų48.840%0.39725%0.25SS..Hα-helixtrans-66-43179.9-72.363.4-147.400111R13 E42 R47 E48R13-E44 IonicContact CZ-OE1 3.97Å; R13-E44 IonicContact NH1-OE1 2.86Å; R13-E44 PolarHBondContact NH1-OE1 3.22Å; R13-E44 IonicContact NH1-OE2 3.82Å; E42-E44 PolarHBondContact O-N 2.98Å; E44-R47 IonicContact OE1-NH2 2.97Å; E44-E48 WeakPolarHBondContact O-CB 3.35Å; E44-E48 PolarHBondContact O-N 3.08Å
45A90.8Very high91.9Very high62 Ų6252.6 Ų52.651%0.51227%0.268SS..Hα-helixtrans-66.7-41.8176.800000111.6E42 E48 H49E42-A45 HydrophobicContact CB-CB 4.24Å; E42-A45 PolarHBondContact O-N 3.39Å; A45-E48 PolarHBondContact O-N 2.82Å; A45-H49 WeakPolarHBondContact O-CB 3.4Å; A45-H49 PolarHBondContact O-N 3.36Å
46L93.7Very high91.4Very high9 Ų952.5 Ų52.55%0.04727%0.271CS..Hα-helixtrans-63.3-46.9178.1-177.561.4000111.6L11 A14 Q16 L41 E42 P43 E48 H49 C50 P203 V211L11-L46 HydrophobicContact CD2-CD2 4.41Å; A14-L46 HydrophobicContact CB-CB 4.45Å; A14-L46 HydrophobicContact CB-CD2 4.14Å; A14-L46 HydrophobicContact CB-CG 4.43Å; Q16-L46 HydrophobicContact CB-CD2 4.29Å; Q16-L46 HydrophobicContact CG-CD2 3.94Å; Q16-L46 HydrophobicContact CG-CG 4.26Å; L41-L46 HydrophobicContact CB-CD2 4.18Å; L41-L46 HydrophobicContact CD1-CD1 4.35Å; L41-L46 HydrophobicContact CD1-CD2 4.22Å; E42-L46 WeakPolarHBondContact O-CB 3.48Å; E42-L46 PolarHBondContact O-N 3.08Å; P43-L46 PolarHBondContact O-N 2.86Å; L46-E48 VanDerWaalsContact C-N 3.32Å; L46-E48 PolarHBondContact O-N 2.93Å; L46-H49 PolarHBondContact O-N 3.46Å; L46-C50 WeakPolarHBondContact O-CB 3.18Å; L46-C50 PolarHBondContact O-N 3.29Å; L46-C50 PolarHBondContact O-SG 3.28Å; L46-P203 HydrophobicContact CD1-CG 3.93Å; L46-V211 HydrophobicContact CD1-CG2 3.84Å
47R94.5Very high90.9Very high117 Ų11750.8 Ų50.844%0.44226%0.255SS..Hα-helixtrans-58.8-45.7176.4-179.7171.247.3-178.7-7111.4A14 P43 E44 C50 R51A14-R47 HydrophobicContact CB-CB 4.3Å; P43-R47 WeakPolarHBondContact O-CB 3.38Å; P43-R47 PolarHBondContact O-N 3.41Å; E44-R47 IonicContact OE1-NH2 2.97Å; R47-C50 PolarHBondContact O-N 2.85Å; R47-R51 VanDerWaalsContact O-CB 3.32Å; R47-R51 WeakPolarHBondContact O-CB 3.43Å; R47-R51 PolarHBondContact O-N 3.13Å
48E92.7Very high90.5Very high72 Ų7253.7 Ų53.734%0.33628%0.284SS..Hα-helixtrans-66.5-42179.8-179.758-166.800111.9E44 A45 L46 R51 R52E44-E48 WeakPolarHBondContact O-CB 3.35Å; E44-E48 PolarHBondContact O-N 3.08Å; A45-E48 PolarHBondContact O-N 2.82Å; L46-E48 VanDerWaalsContact C-N 3.32Å; L46-E48 PolarHBondContact O-N 2.93Å; E48-R51 PolarHBondContact O-N 3.23Å; E48-R51 IonicContact OE1-CZ 3.17Å; E48-R51 IonicContact OE1-NE 3.48Å; E48-R51 IonicContact OE1-NH2 2.96Å; E48-R51 PolarHBondContact OE1-NH2 2.88Å; E48-R51 IonicContact OE2-CZ 3.54Å; E48-R51 IonicContact OE2-NE 3.9Å; E48-R51 PolarHBondContact OE2-NE 3.46Å; E48-R51 IonicContact OE2-NH2 3.53Å; E48-R51 PolarHBondContact OE2-NH2 3.42Å; E48-R52 HydrophobicContact CG-CG 4.37Å; E48-R52 VanDerWaalsContact O-CB 3.32Å; E48-R52 WeakPolarHBondContact O-CB 3.31Å; E48-R52 WeakPolarHBondContact O-CG 3.21Å; E48-R52 PolarHBondContact O-N 3.12Å; E48-R52 WeakPolarHBondContact OE1-CD 3.41Å; E48-R52 VanDerWaalsContact OE1-CG 3.3Å; E48-R52 WeakPolarHBondContact OE1-CG 3.22Å
49H92.3Very high89.8Confident25 Ų2561.3 Ų61.312%0.11631%0.312CS..Hα-helixtrans-57-50.817317369.4000111.7A45 L46 R51 R52 A53 P203A45-H49 WeakPolarHBondContact O-CB 3.4Å; A45-H49 PolarHBondContact O-N 3.36Å; L46-H49 PolarHBondContact O-N 3.46Å; H49-R51 PolarHBondContact O-N 2.8Å; H49-R52 PolarHBondContact O-N 2.97Å; H49-A53 WeakPolarHBondContact O-CB 3.46Å; H49-A53 PolarHBondContact O-N 2.76Å; H49-P203 PolarHBondContact NE2-O 3.1Å
50C94.3Very high88.6Confident5 Ų566.1 Ų66.13%0.03434%0.341CS..Hα-helixtrans-60.6-46.3179.3-69.40000112.3Q16 L46 R47 A53 A54 G209Q16-C50 PolarHBondContact NE2-SG 3.03Å; Q16-C50 VanDerWaalsContact NE2-SG 3.36Å; L46-C50 WeakPolarHBondContact O-CB 3.18Å; L46-C50 PolarHBondContact O-N 3.29Å; L46-C50 PolarHBondContact O-SG 3.28Å; R47-C50 PolarHBondContact O-N 2.85Å; C50-A53 PolarHBondContact O-N 3.05Å; C50-A54 PolarHBondContact O-N 2.9Å; C50-A54 VanDerWaalsContact O-N 3.09Å; C50-G209 VanDerWaalsContact CB-O 3.24Å; C50-G209 WeakPolarHBondContact CB-O 3.37Å
51R93.3Very high87.4Confident106 Ų10666 Ų6640%0.434%0.336SS..Hα-helixtrans-60.2-50.5176.9-174.9-170.571.382.13.2111.3R47 E48 H49 A53 A54 E55R47-R51 VanDerWaalsContact O-CB 3.32Å; R47-R51 WeakPolarHBondContact O-CB 3.43Å; R47-R51 PolarHBondContact O-N 3.13Å; E48-R51 PolarHBondContact O-N 3.23Å; E48-R51 IonicContact OE1-CZ 3.17Å; E48-R51 IonicContact OE1-NE 3.48Å; E48-R51 IonicContact OE1-NH2 2.96Å; E48-R51 PolarHBondContact OE1-NH2 2.88Å; E48-R51 IonicContact OE2-CZ 3.54Å; E48-R51 IonicContact OE2-NE 3.9Å; E48-R51 PolarHBondContact OE2-NE 3.46Å; E48-R51 IonicContact OE2-NH2 3.53Å; E48-R51 PolarHBondContact OE2-NH2 3.42Å; H49-R51 PolarHBondContact O-N 2.8Å; R51-A53 VanDerWaalsContact C-N 3.32Å; R51-A53 PolarHBondContact O-N 2.71Å; R51-A54 PolarHBondContact O-N 3.2Å; R51-E55 WeakPolarHBondContact CG-OE1 3.44Å; R51-E55 IonicContact CZ-OE1 3.62Å; R51-E55 IonicContact CZ-OE2 3.56Å; R51-E55 IonicContact NH1-OE1 3.42Å; R51-E55 PolarHBondContact NH1-OE1 3.22Å; R51-E55 IonicContact NH1-OE2 2.77Å; R51-E55 PolarHBondContact NH1-OE2 3.47Å; R51-E55 WeakPolarHBondContact O-CB 3.44Å; R51-E55 WeakPolarHBondContact O-CG 3.45Å; R51-E55 PolarHBondContact O-N 2.95Å
52R89.7Confident86.1Confident95 Ų9566.8 Ų66.836%0.35835%0.351SS..Hα-helixtrans-62.2-39.7-179.6-73.6177.372.7168.38.4112.2E48 H49 A56E48-R52 HydrophobicContact CG-CG 4.37Å; E48-R52 VanDerWaalsContact O-CB 3.32Å; E48-R52 WeakPolarHBondContact O-CB 3.31Å; E48-R52 WeakPolarHBondContact O-CG 3.21Å; E48-R52 PolarHBondContact O-N 3.12Å; E48-R52 WeakPolarHBondContact OE1-CD 3.41Å; E48-R52 VanDerWaalsContact OE1-CG 3.3Å; E48-R52 WeakPolarHBondContact OE1-CG 3.22Å; H49-R52 PolarHBondContact O-N 2.97Å; R52-A56 WeakPolarHBondContact O-CB 3.33Å; R52-A56 PolarHBondContact O-N 3.4Å
53A90.6Very high84.9Confident0 Ų065.1 Ų65.10%035%0.349CS..Hα-helixtrans-64.2-48.1177.800000111.7H49 C50 R51 A56 C57 V205 I379 M381H49-A53 WeakPolarHBondContact O-CB 3.46Å; H49-A53 PolarHBondContact O-N 2.76Å; C50-A53 PolarHBondContact O-N 3.05Å; R51-A53 VanDerWaalsContact C-N 3.32Å; R51-A53 PolarHBondContact O-N 2.71Å; A53-A56 PolarHBondContact O-N 3.47Å; A53-C57 WeakPolarHBondContact O-CB 3.39Å; A53-C57 PolarHBondContact O-N 3.2Å; A53-V205 HydrophobicContact CB-CG2 3.41Å; A53-V205 VanDerWaalsContact CB-CG2 3.41Å; A53-I379 HydrophobicContact CB-CD1 4.44Å; A53-I379 HydrophobicContact CB-CG2 4.11Å; A53-M381 HydrophobicContact CB-CG 3.92Å; A53-M381 HydrophobicContact CB-SD 3.75Å
54A90.8Very high83.9Confident23 Ų2369.8 Ų69.819%0.1937%0.373CS..Hα-helixtrans-60.6-47176.300000111.8C50 R51 A56 C57 A58C50-A54 PolarHBondContact O-N 2.9Å; C50-A54 VanDerWaalsContact O-N 3.09Å; R51-A54 PolarHBondContact O-N 3.2Å; A54-A56 PolarHBondContact O-N 2.92Å; A54-C57 PolarHBondContact O-N 2.49Å; A54-A58 WeakPolarHBondContact O-CB 3.39Å; A54-A58 PolarHBondContact O-N 2.76Å
55E88.9Confident82.9Confident82 Ų8271.6 Ų71.638%0.38339%0.392SS..Hα-helixtrans-61.3-42177.1-76.6175.5-17300112.7R51 A58 R59R51-E55 WeakPolarHBondContact CG-OE1 3.44Å; R51-E55 IonicContact CZ-OE1 3.62Å; R51-E55 IonicContact CZ-OE2 3.56Å; R51-E55 IonicContact NH1-OE1 3.42Å; R51-E55 PolarHBondContact NH1-OE1 3.22Å; R51-E55 IonicContact NH1-OE2 2.77Å; R51-E55 PolarHBondContact NH1-OE2 3.47Å; R51-E55 WeakPolarHBondContact O-CB 3.44Å; R51-E55 WeakPolarHBondContact O-CG 3.45Å; R51-E55 PolarHBondContact O-N 2.95Å; E55-A58 PolarHBondContact O-N 3.18Å; E55-R59 WeakPolarHBondContact O-CG 3.16Å; E55-R59 PolarHBondContact O-N 3.37Å
56A82.8Confident82.5Confident25 Ų2570.2 Ų70.221%0.20738%0.384CS..Hα-helixtrans-70.9-33.8-179.100000111.9R52 A53 A54 R59 V356 M381R52-A56 WeakPolarHBondContact O-CB 3.33Å; R52-A56 PolarHBondContact O-N 3.4Å; A53-A56 PolarHBondContact O-N 3.47Å; A54-A56 PolarHBondContact O-N 2.92Å; A56-R59 PolarHBondContact O-N 3.01Å; A56-V356 HydrophobicContact CB-CG2 3.26Å; A56-M381 HydrophobicContact CB-CE 4.39Å
57C83.2Confident82.1Confident24 Ų2470.4 Ų70.416%0.16239%0.385CS..Hα-helixtrans-72-29.2173.3-169.90000113.2A53 A54 R59 F207 I379A53-C57 WeakPolarHBondContact O-CB 3.39Å; A53-C57 PolarHBondContact O-N 3.2Å; A54-C57 PolarHBondContact O-N 2.49Å; C57-R59 VanDerWaalsContact C-N 3.27Å; C57-R59 PolarHBondContact O-N 3.34Å; C57-F207 VanDerWaalsContact SG-CD1 3.55Å; C57-I379 HydrophobicContact CB-CD1 3.36Å; C57-I379 HydrophobicContact CB-CG1 4.05Å
58A84.3Confident81.6Confident87 Ų8766.9 Ų66.972%0.71938%0.381SS*.Hα-helixtrans-75.3-15176.600000113.3A54 E55A54-A58 WeakPolarHBondContact O-CB 3.39Å; A54-A58 PolarHBondContact O-N 2.76Å; E55-A58 PolarHBondContact O-N 3.18Å
59R77.5Confident81.5Confident166 Ų16669.6 Ų69.663%0.62639%0.394SS*.SBendtrans-70.5145.6176.5-73.4173.9-172.7-1751.9110.7E55 A56 C57 H61E55-R59 WeakPolarHBondContact O-CG 3.16Å; E55-R59 PolarHBondContact O-N 3.37Å; A56-R59 PolarHBondContact O-N 3.01Å; C57-R59 VanDerWaalsContact C-N 3.27Å; C57-R59 PolarHBondContact O-N 3.34Å; R59-H61 PolarHBondContact O-N 3.37Å
60P67.7Low81.5Confident128 Ų12873.3 Ų73.383%0.83141%0.406SS*.PPolyproline II helixtrans-56.5128.3175.5-15.524.8000110.6
61H63.3Low81.5Confident146 Ų14673.1 Ų73.168%0.67641%0.405SS*.PPolyproline II helixtrans-73.3130.7169.4-64.1-53.1000109.5R59R59-H61 PolarHBondContact O-N 3.37Å
62G62.7Low81.7Confident43 Ų4374.4 Ų74.444%0.44341%0.41SS..SBendtrans148.8-176.9175.700000113L64G62-L64 PolarHBondContact O-N 3.23Å
63P65.4Low81.9Confident66 Ų6672.5 Ų72.543%0.42941%0.41SS..SBendtrans-57.4138.2179.6-20.231.2000111E309P63-E309 WeakPolarHBondContact CA-O 3.47Å
64L69.4Low82.1Confident100 Ų10073.5 Ų73.552%0.52442%0.415SS..PPolyproline II helixtrans-60.9129.5174.2-74.8165.9000109.3G62 G66 L67G62-L64 PolarHBondContact O-N 3.23Å; L64-G66 PolarHBondContact O-N 3.36Å; L64-L67 HydrophobicContact CB-CB 4.01Å; L64-L67 HydrophobicContact CB-CD2 4.35Å; L64-L67 WeakPolarHBondContact O-CB 3.18Å; L64-L67 PolarHBondContact O-N 2.89Å
65P72.6Confident82.3Confident123 Ų12374 Ų7480%0.79942%0.417SS*.THydrogen-bonded Turntrans-55.4131.4176.8-2533.1000111L67P65-L67 VanDerWaalsContact C-N 3.27Å; P65-L67 PolarHBondContact O-N 3.07Å
66G82.1Confident82.4Confident33 Ų3374 Ų7434%0.3443%0.431SS..THydrogen-bonded Turntrans78.72.4179.900000115.2L64 E69 R70L64-G66 PolarHBondContact O-N 3.36Å; G66-E69 WeakPolarHBondContact CA-OE2 3.15Å; G66-R70 VanDerWaalsContact O-CD 3.25Å; G66-R70 WeakPolarHBondContact O-CD 3.46Å; G66-R70 WeakPolarHBondContact O-CG 3.32Å; G66-R70 PolarHBondContact O-N 3.26Å
67L85.4Confident82.9Confident12 Ų1279.5 Ų79.56%0.06345%0.452CS..Hα-helixtrans-65.2-43.8-177.3-18061.7000111.7L64 P65 E69 R70 L71 V298 V305L64-L67 HydrophobicContact CB-CB 4.01Å; L64-L67 HydrophobicContact CB-CD2 4.35Å; L64-L67 WeakPolarHBondContact O-CB 3.18Å; L64-L67 PolarHBondContact O-N 2.89Å; P65-L67 VanDerWaalsContact C-N 3.27Å; P65-L67 PolarHBondContact O-N 3.07Å; L67-E69 VanDerWaalsContact C-N 3.26Å; L67-E69 PolarHBondContact O-N 2.86Å; L67-R70 CarbonylContact O-C 3.52Å; L67-R70 PolarHBondContact O-N 3.01Å; L67-R70 VanDerWaalsContact O-N 3.08Å; L67-L71 HydrophobicContact CD1-CD1 4.4Å; L67-L71 WeakPolarHBondContact O-CB 3.24Å; L67-L71 PolarHBondContact O-N 3.48Å; L67-V298 HydrophobicContact CD1-CG1 3.88Å; L67-V298 HydrophobicContact CD1-CG2 3.81Å; L67-V305 HydrophobicContact CD2-CG1 4.01Å
68A85.8Confident83.4Confident44 Ų4483.1 Ų83.136%0.36446%0.462SS..Hα-helixtrans-58.9-38.9-177.400000112.1R70 L71 T314A68-R70 VanDerWaalsContact C-N 3.29Å; A68-R70 PolarHBondContact O-N 2.84Å; A68-L71 PolarHBondContact O-N 3.23Å; A68-T314 WeakPolarHBondContact CB-OG1 3.48Å
69E89.8Confident83.9Confident129 Ų12980.6 Ų80.660%0.60344%0.438SS*.Hα-helixtrans-70.4-26.7180-62.284.8168.300112.5G66 L67 R72G66-E69 WeakPolarHBondContact CA-OE2 3.15Å; L67-E69 VanDerWaalsContact C-N 3.26Å; L67-E69 PolarHBondContact O-N 2.86Å; E69-R72 PolarHBondContact O-NH1 3.48Å; E69-R72 PolarHBondContact O-NH2 3.28Å
70R92.8Very high84.7Confident102 Ų10272.9 Ų72.939%0.38541%0.41SS..Hα-helixtrans-95.3-18.6-178.9-66164.658.9-150.7-1.2113.2G66 L67 A68 V298 D299G66-R70 VanDerWaalsContact O-CD 3.25Å; G66-R70 WeakPolarHBondContact O-CD 3.46Å; G66-R70 WeakPolarHBondContact O-CG 3.32Å; G66-R70 PolarHBondContact O-N 3.26Å; L67-R70 CarbonylContact O-C 3.52Å; L67-R70 PolarHBondContact O-N 3.01Å; L67-R70 VanDerWaalsContact O-N 3.08Å; A68-R70 VanDerWaalsContact C-N 3.29Å; A68-R70 PolarHBondContact O-N 2.84Å; R70-V298 HydrophobicContact CB-CG1 3.71Å; R70-D299 WeakPolarHBondContact CB-OD1 3.46Å; R70-D299 VanDerWaalsContact CG-OD1 3.25Å; R70-D299 WeakPolarHBondContact CG-OD1 3.46Å; R70-D299 IonicContact CZ-OD1 2.65Å; R70-D299 IonicContact CZ-OD2 3.44Å; R70-D299 VanDerWaalsContact NE-CG 3.28Å; R70-D299 IonicContact NE-OD1 2.74Å; R70-D299 PolarHBondContact NE-OD1 3.16Å; R70-D299 IonicContact NE-OD2 2.94Å; R70-D299 PolarHBondContact NE-OD2 3.13Å; R70-D299 IonicContact NH2-OD2 3.71Å; R70-D299 PolarHBondContact NH2-OD2 3.4Å; R70-D299 PolarHBondContact O-N 2.84Å
71L94.3Very high85.9Confident2 Ų270.1 Ų70.11%0.0138%0.383CS..EExtended strand (participates in β ladder)trans-71.4132.7-179.2-157.376.1000110.4L67 A68 C296 Q297 V298 V305 I310 T314 Y326L67-L71 HydrophobicContact CD1-CD1 4.4Å; L67-L71 WeakPolarHBondContact O-CB 3.24Å; L67-L71 PolarHBondContact O-N 3.48Å; A68-L71 PolarHBondContact O-N 3.23Å; L71-C296 HydrophobicContact CD1-CB 4.25Å; L71-C296 WeakPolarHBondContact CD1-SG 3.07Å; L71-Q297 CarbonylContact C-O 3.54Å; L71-Q297 WeakPolarHBondContact CA-O 3.36Å; L71-V298 HydrophobicContact CD1-CG2 3.81Å; L71-V305 HydrophobicContact CD1-CG2 3.77Å; L71-I310 HydrophobicContact CD2-CD1 4.43Å; L71-T314 HydrophobicContact CD2-CG2 3.52Å; L71-Y326 HydrophobicContact CB-CE1 4.34Å; L71-Y326 HydrophobicContact CD2-CD1 3.81Å; L71-Y326 HydrophobicContact CD2-CD2 3.96Å; L71-Y326 HydrophobicContact CD2-CE1 3.4Å; L71-Y326 VanDerWaalsContact CD2-CE1 3.4Å; L71-Y326 HydrophobicContact CD2-CE2 3.57Å; L71-Y326 HydrophobicContact CD2-CG 4.07Å; L71-Y326 HydrophobicContact CG-CD1 4.22Å; L71-Y326 HydrophobicContact CG-CE1 3.49Å; L71-Y326 VanDerWaalsContact CG-CE1 3.49Å; L71-Y326 HydrophobicContact CG-CE2 4.36Å; L71-Y326 PolarHBondContact O-OH 2.61Å
72R96.1Very high86.9Confident133 Ų13363.7 Ų63.750%0.50236%0.355SS..EExtended strand (participates in β ladder)trans-138.3145.6171.6-62.8-66.5-178.9-83.7-5.3109.6E69 C296 Q297E69-R72 PolarHBondContact O-NH1 3.48Å; E69-R72 PolarHBondContact O-NH2 3.28Å; R72-C296 WeakPolarHBondContact O-CB 3.27Å; R72-Q297 HydrophobicContact CB-CB 4.4Å; R72-Q297 PolarHBondContact N-O 3.38Å; R72-Q297 PolarHBondContact O-N 2.98Å
73P95.5Very high87.7Confident54 Ų5464.4 Ų64.435%0.35135%0.353SS..PPolyproline II helixtrans-61.9161.117028.3-34.8000110.1L325P73-L325 HydrophobicContact CG-CD1 4.21Å
74L94.9Very high88.6Confident21 Ų2168.2 Ų68.211%0.1136%0.359CS..PPolyproline II helixtrans-63.4142.9172.1-71.7173.7000110.5V79 V295 Q297 F395 A397L74-V79 HydrophobicContact CB-CG2 3.82Å; L74-V79 HydrophobicContact CD1-CG2 4.19Å; L74-V295 HydrophobicContact CD1-CB 4.4Å; L74-V295 HydrophobicContact CD1-CG1 3.72Å; L74-V295 HydrophobicContact CG-CG1 4.39Å; L74-Q297 HydrophobicContact CD2-CG 4.01Å; L74-F395 HydrophobicContact CD1-CE1 4.01Å; L74-F395 HydrophobicContact CD2-CD1 4.24Å; L74-F395 HydrophobicContact CD2-CE1 4.18Å; L74-A397 HydrophobicContact CD1-CB 3.41Å; L74-A397 VanDerWaalsContact CD1-CB 3.41Å
75P93.3Very high89.4Confident34 Ų3465.1 Ų65.122%0.22135%0.346CS..PPolyproline II helixtrans-59.4138.5171.4-20.431.6000111.1E77 R78P75-E77 HydrophobicContact CB-CG 4.32Å; P75-E77 WeakPolarHBondContact CB-OE1 3.48Å; P75-E77 WeakPolarHBondContact CB-OE2 3.41Å; P75-E77 PolarHBondContact O-N 2.85Å; P75-R78 HydrophobicContact CB-CG 4.24Å; P75-R78 HydrophobicContact CG-CG 4.39Å; P75-R78 WeakPolarHBondContact O-CB 3.43Å; P75-R78 PolarHBondContact O-N 3.13Å
76A91.6Very high90.2Very high82 Ų8263 Ų6368%0.67833%0.328SS*.G310 helixtrans-61-32.2-172.800000112.8R78 V79A76-R78 PolarHBondContact O-N 2.97Å; A76-V79 PolarHBondContact O-N 3.37Å; A76-V79 VanDerWaalsContact O-N 3.07Å
77E92.4Very high90.6Very high141 Ų14165.7 Ų65.766%0.65934%0.339SS*.G310 helixtrans-65.7-16.3175.268.7-85.2-161.500113.8P75P75-E77 HydrophobicContact CB-CG 4.32Å; P75-E77 WeakPolarHBondContact CB-OE1 3.48Å; P75-E77 WeakPolarHBondContact CB-OE2 3.41Å; P75-E77 PolarHBondContact O-N 2.85Å
78R94.3Very high91Very high99 Ų9970.4 Ų70.437%0.37436%0.361SS..G310 helixtrans-95.91.1174.9-57.3-59-172.9167.16.7112.8P75 A76 N394 V396 A397P75-R78 HydrophobicContact CB-CG 4.24Å; P75-R78 HydrophobicContact CG-CG 4.39Å; P75-R78 WeakPolarHBondContact O-CB 3.43Å; P75-R78 PolarHBondContact O-N 3.13Å; A76-R78 PolarHBondContact O-N 2.97Å; R78-N394 PolarHBondContact NH1-OD1 3.34Å; R78-V396 CarbonylContact O-C 3.47Å; R78-V396 WeakPolarHBondContact O-CA 3.36Å; R78-A397 PolarHBondContact O-N 2.68Å
79V95.4Very high91.4Very high34 Ų3470.2 Ų70.221%0.20636%0.355CS..EExtended strand (participates in β ladder)trans-118.3110.3-175.3-173.80000110.6L74 A76 R81 A397L74-V79 HydrophobicContact CB-CG2 3.82Å; L74-V79 HydrophobicContact CD1-CG2 4.19Å; A76-V79 PolarHBondContact O-N 3.37Å; A76-V79 VanDerWaalsContact O-N 3.07Å; V79-R81 HydrophobicContact CG1-CG 4.37Å; V79-A397 CarbonylContact C-O 3.54Å; V79-A397 WeakPolarHBondContact CA-O 3.32Å; V79-A397 HydrophobicContact CG2-CB 4.35Å
80G94.2Very high91.7Very high4 Ų468.7 Ų68.74%0.04134%0.344CS..EExtended strand (participates in β ladder)trans-81.8148.8166.600000110.8A397 F398 E399G80-A397 PolarHBondContact N-O 2.81Å; G80-F398 CarbonylContact O-C 3.57Å; G80-F398 WeakPolarHBondContact O-CA 3.22Å; G80-E399 PolarHBondContact O-N 2.8Å
81R93.4Very high91.8Very high71 Ų7171.9 Ų71.927%0.26836%0.356SS..EExtended strand (participates in β ladder)trans-133111179.9-57.6-171.9180-131.37.4111.1V79 S83 R84 S85 E399V79-R81 HydrophobicContact CG1-CG 4.37Å; R81-S83 VanDerWaalsContact C-N 3.31Å; R81-S83 PolarHBondContact O-N 2.94Å; R81-R84 HydrophobicContact CB-CB 4.02Å; R81-R84 HydrophobicContact CB-CG 4.46Å; R81-R84 VanDerWaalsContact NH1-CZ 3.32Å; R81-R84 PolarHBondContact O-N 3.46Å; R81-S85 VanDerWaalsContact O-CB 3.31Å; R81-S85 WeakPolarHBondContact O-CB 3.38Å; R81-S85 PolarHBondContact O-N 3.47Å; R81-S85 PolarHBondContact O-OG 3.12Å; R81-E399 HydrophobicContact CB-CB 4.38Å; R81-E399 HydrophobicContact CG-CB 4.02Å; R81-E399 IonicContact CZ-OE1 2.76Å; R81-E399 IonicContact CZ-OE2 3.15Å; R81-E399 IonicContact NE-OE1 3.59Å; R81-E399 IonicContact NE-OE2 3.38Å; R81-E399 VanDerWaalsContact NH1-CD 3.31Å; R81-E399 IonicContact NH1-OE1 3.4Å; R81-E399 PolarHBondContact NH1-OE1 2.86Å; R81-E399 IonicContact NH1-OE2 2.65Å; R81-E399 PolarHBondContact NH1-OE2 2.85Å; R81-E399 IonicContact NH2-OE2 3.45Å
82A83.1Confident91.9Very high11 Ų1179.1 Ų79.19%0.09138%0.383CS..THydrogen-bonded Turntrans-58.6-38.4-172.700000114.2F398 E399 V400A82-F398 HydrophobicContact CB-CE1 3.87Å; A82-F398 HydrophobicContact CB-CZ 3.72Å; A82-E399 PolarHBondContact N-O 2.93Å; A82-V400 HydrophobicContact CB-CG1 4.19Å
83S80.8Confident92Very high58 Ų5873.7 Ų73.741%0.40636%0.363SS..THydrogen-bonded Turntrans-91.6-21.9-176.155.90000114.4R81R81-S83 VanDerWaalsContact C-N 3.31Å; R81-S83 PolarHBondContact O-N 2.94Å
84R83.8Confident92.2Very high146 Ų14673.4 Ų73.455%0.55136%0.357SS*.THydrogen-bonded Turntrans-100.5-15.4-177.2-56-168.7-169.6-170.60.1113.4R81 E399R81-R84 HydrophobicContact CB-CB 4.02Å; R81-R84 HydrophobicContact CB-CG 4.46Å; R81-R84 VanDerWaalsContact NH1-CZ 3.32Å; R81-R84 PolarHBondContact O-N 3.46Å; R84-E399 IonicContact NE-OE1 3.92Å
85S85.4Confident92.3Very high35 Ų3576.2 Ų76.225%0.24537%0.369CS..SBendtrans-72.1148.7172.9-69.10000111.4R81 W93R81-S85 VanDerWaalsContact O-CB 3.31Å; R81-S85 WeakPolarHBondContact O-CB 3.38Å; R81-S85 PolarHBondContact O-N 3.47Å; R81-S85 PolarHBondContact O-OG 3.12Å; S85-W93 WeakPolarHBondContact OG-CH2 3.26Å
86D90.1Very high92.6Very high79 Ų7975.8 Ų75.842%0.42236%0.364SS..  trans-64.3152.71787088.4000111.4E88 T89 R90D86-E88 PolarHBondContact O-N 2.86Å; D86-E88 VanDerWaalsContact O-N 3.14Å; D86-E88 WeakPolarHBondContact OD1-CA 3.34Å; D86-E88 WeakPolarHBondContact OD1-CB 3.39Å; D86-E88 PolarHBondContact OD1-N 3.07Å; D86-T89 VanDerWaalsContact CG-OG1 3.32Å; D86-T89 PolarHBondContact O-N 3.44Å; D86-T89 PolarHBondContact OD1-N 3.09Å; D86-T89 PolarHBondContact OD1-OG1 3.45Å; D86-T89 WeakPolarHBondContact OD2-CB 3.32Å; D86-T89 PolarHBondContact OD2-OG1 3.43Å; D86-R90 PolarHBondContact O-N 3.43Å; D86-R90 VanDerWaalsContact O-N 3.09Å
87P91.2Very high92.9Very high88 Ų8871.9 Ų71.957%0.57133%0.332SS*.Hα-helixtrans-61.7-21.3-176.5-2635.4000115.3R91P87-R91 WeakPolarHBondContact O-CB 3.05Å; P87-R91 WeakPolarHBondContact O-CG 3.13Å; P87-R91 PolarHBondContact O-N 2.88Å; P87-R91 PolarHBondContact O-NE 3.46Å; P87-R91 VanDerWaalsContact O-NE 3.16Å
88E93.8Very high93.2Very high111 Ų11165.6 Ų65.652%0.51930%0.302SS..Hα-helixtrans-79.7-46.6178.1-167.4-172.3156.700110.4D86 R90 R91 R92D86-E88 PolarHBondContact O-N 2.86Å; D86-E88 VanDerWaalsContact O-N 3.14Å; D86-E88 WeakPolarHBondContact OD1-CA 3.34Å; D86-E88 WeakPolarHBondContact OD1-CB 3.39Å; D86-E88 PolarHBondContact OD1-N 3.07Å; E88-R90 VanDerWaalsContact C-N 3.32Å; E88-R90 PolarHBondContact O-N 2.92Å; E88-R91 WeakPolarHBondContact O-CB 3.17Å; E88-R91 PolarHBondContact O-N 3.48Å; E88-R91 VanDerWaalsContact O-N 3.14Å; E88-R92 WeakPolarHBondContact O-CG 3.33Å; E88-R92 PolarHBondContact O-N 3.44Å; E88-R92 IonicContact OE1-CZ 2.74Å; E88-R92 IonicContact OE1-NE 3.16Å; E88-R92 PolarHBondContact OE1-NE 3.34Å; E88-R92 IonicContact OE1-NH2 2.61Å; E88-R92 PolarHBondContact OE1-NH2 3.36Å
89T94.3Very high93.4Very high40 Ų4065.3 Ų65.325%0.24530%0.301CS..Hα-helixtrans-56.5-46.2173.7-66.20000111.3D86 R91 R92 W93D86-T89 VanDerWaalsContact CG-OG1 3.32Å; D86-T89 PolarHBondContact O-N 3.44Å; D86-T89 PolarHBondContact OD1-N 3.09Å; D86-T89 PolarHBondContact OD1-OG1 3.45Å; D86-T89 WeakPolarHBondContact OD2-CB 3.32Å; D86-T89 PolarHBondContact OD2-OG1 3.43Å; T89-R91 VanDerWaalsContact C-N 3.32Å; T89-R91 PolarHBondContact O-N 3.01Å; T89-R92 WeakPolarHBondContact O-CB 3.26Å; T89-R92 PolarHBondContact O-N 3Å; T89-W93 HydrophobicContact CG2-CD2 4.08Å; T89-W93 VanDerWaalsContact CG2-CE2 3.46Å; T89-W93 HydrophobicContact CG2-CE3 4.46Å; T89-W93 HydrophobicContact CG2-CH2 3.81Å; T89-W93 HydrophobicContact CG2-CZ2 3.33Å; T89-W93 HydrophobicContact CG2-CZ3 4.32Å; T89-W93 PolarHBondContact O-N 3.49Å
90R94.3Very high93.6Very high98 Ų9864 Ų6437%0.3729%0.293SS..Hα-helixtrans-60.6-41.6176.6-177.2176.9171.9-177.9-5.1112.1D86 E88 W93 E94 V266D86-R90 PolarHBondContact O-N 3.43Å; D86-R90 VanDerWaalsContact O-N 3.09Å; E88-R90 VanDerWaalsContact C-N 3.32Å; E88-R90 PolarHBondContact O-N 2.92Å; R90-W93 PolarHBondContact O-N 3.37Å; R90-E94 PolarHBondContact O-N 3.31Å; R90-V266 HydrophobicContact CG-CG1 4.17Å
91R95.4Very high93.8Very high168 Ų16863.8 Ų63.863%0.63429%0.291SS*.Hα-helixtrans-64.1-38.6175.9-84.8-174.7-98.1-147.2-1.8112.6P87 E88 T89 W93 E94 E95P87-R91 WeakPolarHBondContact O-CB 3.05Å; P87-R91 WeakPolarHBondContact O-CG 3.13Å; P87-R91 PolarHBondContact O-N 2.88Å; P87-R91 PolarHBondContact O-NE 3.46Å; P87-R91 VanDerWaalsContact O-NE 3.16Å; E88-R91 WeakPolarHBondContact O-CB 3.17Å; E88-R91 PolarHBondContact O-N 3.48Å; E88-R91 VanDerWaalsContact O-N 3.14Å; T89-R91 VanDerWaalsContact C-N 3.32Å; T89-R91 PolarHBondContact O-N 3.01Å; R91-W93 VanDerWaalsContact C-N 3.35Å; R91-E94 PolarHBondContact O-N 2.84Å; R91-E95 WeakPolarHBondContact O-CB 3.42Å; R91-E95 PolarHBondContact O-N 3.46Å
92R97.5Very high94.1Very high154 Ų15460.8 Ų60.858%0.58128%0.281SS*.Hα-helixtrans-63-41.5175.3-70.4174.7-176.5-159.95.5111.9E88 T89 E96E88-R92 WeakPolarHBondContact O-CG 3.33Å; E88-R92 PolarHBondContact O-N 3.44Å; E88-R92 IonicContact OE1-CZ 2.74Å; E88-R92 IonicContact OE1-NE 3.16Å; E88-R92 PolarHBondContact OE1-NE 3.34Å; E88-R92 IonicContact OE1-NH2 2.61Å; E88-R92 PolarHBondContact OE1-NH2 3.36Å; T89-R92 WeakPolarHBondContact O-CB 3.26Å; T89-R92 PolarHBondContact O-N 3Å; R92-E96 WeakPolarHBondContact O-CB 3.46Å; R92-E96 PolarHBondContact O-N 2.95Å; R92-E96 VanDerWaalsContact O-N 3.08Å
93W98.3Very high94.8Very high20 Ų2064.5 Ų64.58%0.07630%0.299CS..Hα-helixtrans-63.1-48.6173.3-61.2-20.9000111.4S85 T89 R90 R91 E95 E96 G97 V266 G269 F270 F398S85-W93 WeakPolarHBondContact OG-CH2 3.26Å; T89-W93 HydrophobicContact CG2-CD2 4.08Å; T89-W93 VanDerWaalsContact CG2-CE2 3.46Å; T89-W93 HydrophobicContact CG2-CE3 4.46Å; T89-W93 HydrophobicContact CG2-CH2 3.81Å; T89-W93 HydrophobicContact CG2-CZ2 3.33Å; T89-W93 HydrophobicContact CG2-CZ3 4.32Å; T89-W93 PolarHBondContact O-N 3.49Å; R90-W93 PolarHBondContact O-N 3.37Å; R91-W93 VanDerWaalsContact C-N 3.35Å; W93-E95 PolarHBondContact O-N 2.88Å; W93-E96 PolarHBondContact O-N 3.12Å; W93-G97 PolarHBondContact O-N 3.02Å; W93-V266 HydrophobicContact CB-CG1 4.12Å; W93-V266 HydrophobicContact CE3-CG1 3.98Å; W93-G269 WeakPolarHBondContact O-CA 3.2Å; W93-F270 HydrophobicContact CB-CB 4.48Å; W93-F270 HydrophobicContact CD2-CB 4Å; W93-F270 HydrophobicContact CD2-CD2 4.26Å; W93-F270 AromaticContact CE2-CD2 3.71Å; W93-F270 HydrophobicContact CE3-CB 4.43Å; W93-F270 HydrophobicContact CG-CB 4.03Å; W93-F270 HydrophobicContact CH2-CD2 4.13Å; W93-F270 AromaticContact CZ2-CD2 3.64Å; W93-F270 HydrophobicContact CZ2-CD2 3.64Å; W93-F270 HydrophobicContact CZ2-CE2 4.19Å; W93-F398 AromaticContact CE3-CE2 3.86Å; W93-F398 HydrophobicContact CE3-CE2 3.86Å; W93-F398 HydrophobicContact CE3-CZ 4.23Å; W93-F398 HydrophobicContact CH2-CE2 4.28Å; W93-F398 AromaticContact CZ3-CE2 3.62Å; W93-F398 HydrophobicContact CZ3-CE2 3.62Å; W93-F398 HydrophobicContact CZ3-CZ 4.19Å
94E97.9Very high95.7Very high47 Ų4764.5 Ų64.522%0.2230%0.295CS..Hα-helixtrans-58.5-47.2178.8-168.4-172.3-102.700112.3R90 R91 E96 G97 F98 R156 P265 V266R90-E94 PolarHBondContact O-N 3.31Å; R91-E94 PolarHBondContact O-N 2.84Å; E94-E96 PolarHBondContact O-N 3.25Å; E94-G97 PolarHBondContact O-N 3.16Å; E94-F98 HydrophobicContact CG-CD2 3.69Å; E94-F98 HydrophobicContact CG-CE2 3.49Å; E94-F98 VanDerWaalsContact CG-CE2 3.49Å; E94-F98 WeakPolarHBondContact O-CD2 3.31Å; E94-F98 PolarHBondContact O-N 3.47Å; E94-R156 IonicContact OE2-CZ 2.8Å; E94-R156 IonicContact OE2-NH1 3.93Å; E94-R156 PolarHBondContact OE2-NH1 2.94Å; E94-R156 IonicContact OE2-NH2 3.58Å; E94-R156 PolarHBondContact OE2-NH2 3Å; E94-P265 HydrophobicContact CG-CB 4.4Å; E94-P265 HydrophobicContact CG-CG 4.21Å; E94-V266 HydrophobicContact CB-CG2 4.05Å; E94-V266 HydrophobicContact CG-CG2 4.21Å
95E98.4Very high96.4Very high80 Ų8060 Ų6037%0.37428%0.279SS..Hα-helixtrans-60.1-45.8178.9-175.860.5-156.100111.6R91 W93 G97 F98 R99 R156 H157R91-E95 WeakPolarHBondContact O-CB 3.42Å; R91-E95 PolarHBondContact O-N 3.46Å; W93-E95 PolarHBondContact O-N 2.88Å; E95-G97 VanDerWaalsContact C-N 3.33Å; E95-G97 PolarHBondContact O-N 3.37Å; E95-F98 PolarHBondContact O-N 2.99Å; E95-R99 VanDerWaalsContact O-CB 3.31Å; E95-R99 WeakPolarHBondContact O-CB 3.46Å; E95-R99 PolarHBondContact O-N 3.32Å; E95-R156 WeakPolarHBondContact OE2-CD 3.4Å; E95-R156 IonicContact OE2-CZ 3.98Å; E95-R156 IonicContact OE2-NE 2.71Å; E95-R156 IonicContact OE2-NH1 3.15Å; E95-R156 PolarHBondContact OE2-NH1 3.07Å; E95-H157 IonicContact OE1-CE1 2.78Å; E95-H157 PolarHBondContact OE1-CE1 3.09Å; E95-H157 IonicContact OE1-NE2 3.68Å
96E98.8Very high97Very high26 Ų2658.4 Ų58.412%0.12127%0.268CS..Hα-helixtrans-63-41.5176.4178.462.2-16700111.6R92 W93 E94 R99 Q100 V272 L273R92-E96 WeakPolarHBondContact O-CB 3.46Å; R92-E96 PolarHBondContact O-N 2.95Å; R92-E96 VanDerWaalsContact O-N 3.08Å; W93-E96 PolarHBondContact O-N 3.12Å; E94-E96 PolarHBondContact O-N 3.25Å; E96-R99 VanDerWaalsContact CD-NH2 3.3Å; E96-R99 WeakPolarHBondContact O-CB 3.43Å; E96-R99 PolarHBondContact O-N 3.33Å; E96-R99 IonicContact OE1-CZ 3.6Å; E96-R99 IonicContact OE1-NE 3.79Å; E96-R99 IonicContact OE1-NH2 3.58Å; E96-R99 PolarHBondContact OE1-NH2 2.63Å; E96-R99 IonicContact OE2-CZ 2.68Å; E96-R99 IonicContact OE2-NE 3.85Å; E96-R99 PolarHBondContact OE2-NE 2.87Å; E96-R99 IonicContact OE2-NH2 3.36Å; E96-R99 PolarHBondContact OE2-NH2 3.13Å; E96-R99 VanDerWaalsContact OE2-NH2 3.15Å; E96-Q100 VanDerWaalsContact O-CG 3.28Å; E96-Q100 WeakPolarHBondContact O-CG 3.17Å; E96-Q100 PolarHBondContact O-N 3.13Å; E96-Q100 PolarHBondContact OE1-NE2 2.89Å; E96-V272 HydrophobicContact CG-CB 4.25Å; E96-V272 HydrophobicContact CG-CG1 4.01Å; E96-V272 VanDerWaalsContact OE1-CG1 3.27Å; E96-V272 WeakPolarHBondContact OE1-CG1 3.36Å; E96-L273 HydrophobicContact CB-CD1 3.87Å; E96-L273 HydrophobicContact CB-CD2 4.46Å; E96-L273 HydrophobicContact CB-CG 4.13Å; E96-L273 HydrophobicContact CG-CD1 4.22Å; E96-L273 HydrophobicContact CG-CD2 4.17Å; E96-L273 HydrophobicContact CG-CG 3.91Å
97G98.8Very high97.4Very high0 Ų054.6 Ų54.60%025%0.248CC..Hα-helixtrans-60.5-50.1176.700000112.7W93 E94 E95 R99 Q100 I101 P265W93-G97 PolarHBondContact O-N 3.02Å; E94-G97 PolarHBondContact O-N 3.16Å; E95-G97 VanDerWaalsContact C-N 3.33Å; E95-G97 PolarHBondContact O-N 3.37Å; G97-R99 VanDerWaalsContact C-N 3.28Å; G97-R99 PolarHBondContact O-N 3.33Å; G97-Q100 PolarHBondContact O-N 3.03Å; G97-Q100 VanDerWaalsContact O-N 3.16Å; G97-I101 WeakPolarHBondContact O-CG1 3.17Å; G97-I101 PolarHBondContact O-N 3.29Å; G97-P265 VanDerWaalsContact CA-O 3.27Å; G97-P265 WeakPolarHBondContact CA-O 3.46Å
98F98.8Very high97.8Very high8 Ų850.4 Ų50.44%0.03522%0.22CC..Hα-helixtrans-60.9-38.4176-80.2-54.9000112.2E94 E95 Q100 I101 A102 V149 L152 A153 R156 P265E94-F98 HydrophobicContact CG-CD2 3.69Å; E94-F98 HydrophobicContact CG-CE2 3.49Å; E94-F98 VanDerWaalsContact CG-CE2 3.49Å; E94-F98 WeakPolarHBondContact O-CD2 3.31Å; E94-F98 PolarHBondContact O-N 3.47Å; E95-F98 PolarHBondContact O-N 2.99Å; F98-Q100 VanDerWaalsContact C-N 3.33Å; F98-Q100 PolarHBondContact O-N 3.06Å; F98-I101 HydrophobicContact CD1-CD1 4.47Å; F98-I101 PolarHBondContact O-N 2.89Å; F98-A102 VanDerWaalsContact O-CB 3.31Å; F98-A102 WeakPolarHBondContact O-CB 3.4Å; F98-A102 PolarHBondContact O-N 3.31Å; F98-V149 HydrophobicContact CE1-CG2 3.99Å; F98-L152 HydrophobicContact CE1-CB 3.7Å; F98-L152 HydrophobicContact CE1-CD1 4.48Å; F98-L152 HydrophobicContact CZ-CB 4.03Å; F98-L152 HydrophobicContact CZ-CD1 4.26Å; F98-A153 HydrophobicContact CD1-CB 3.88Å; F98-R156 VanDerWaalsContact CD2-CZ 3.46Å; F98-P265 HydrophobicContact CD1-CB 4.11Å; F98-P265 HydrophobicContact CD1-CG 4.3Å; F98-P265 HydrophobicContact CD2-CB 4.05Å; F98-P265 HydrophobicContact CD2-CG 4.21Å; F98-P265 HydrophobicContact CE1-CB 4.23Å; F98-P265 HydrophobicContact CE1-CG 3.9Å; F98-P265 HydrophobicContact CE2-CB 4.17Å; F98-P265 HydrophobicContact CE2-CG 3.81Å; F98-P265 HydrophobicContact CG-CB 4.03Å; F98-P265 HydrophobicContact CG-CG 4.45Å; F98-P265 HydrophobicContact CZ-CB 4.27Å; F98-P265 HydrophobicContact CZ-CG 3.65Å
99R98.8Very high98.1Very high93 Ų9345.1 Ų45.135%0.35120%0.196SC..Hα-helixtrans-59.2-43.8174.6-169.5-173.871.977.9-8111.7E95 E96 G97 A102 L103 H157E95-R99 VanDerWaalsContact O-CB 3.31Å; E95-R99 WeakPolarHBondContact O-CB 3.46Å; E95-R99 PolarHBondContact O-N 3.32Å; E96-R99 VanDerWaalsContact CD-NH2 3.3Å; E96-R99 WeakPolarHBondContact O-CB 3.43Å; E96-R99 PolarHBondContact O-N 3.33Å; E96-R99 IonicContact OE1-CZ 3.6Å; E96-R99 IonicContact OE1-NE 3.79Å; E96-R99 IonicContact OE1-NH2 3.58Å; E96-R99 PolarHBondContact OE1-NH2 2.63Å; E96-R99 IonicContact OE2-CZ 2.68Å; E96-R99 IonicContact OE2-NE 3.85Å; E96-R99 PolarHBondContact OE2-NE 2.87Å; E96-R99 IonicContact OE2-NH2 3.36Å; E96-R99 PolarHBondContact OE2-NH2 3.13Å; E96-R99 VanDerWaalsContact OE2-NH2 3.15Å; G97-R99 VanDerWaalsContact C-N 3.28Å; G97-R99 PolarHBondContact O-N 3.33Å; R99-A102 PolarHBondContact O-N 3.42Å; R99-L103 HydrophobicContact CG-CD1 4.37Å; R99-L103 VanDerWaalsContact O-CG 3.25Å; R99-L103 WeakPolarHBondContact O-CG 3.03Å; R99-L103 PolarHBondContact O-N 3.06Å; R99-L103 VanDerWaalsContact O-N 3.09Å; R99-H157 PolarHBondContact N-NE2 2.93Å
100Q98.9Very high98.3Very high7 Ų743.2 Ų43.23%0.03318%0.184CC..Hα-helixtrans-69.3-36.2179.4-63.4-66.4-6.400112.4E96 G97 F98 L103 K105 V106 F249 V272E96-Q100 VanDerWaalsContact O-CG 3.28Å; E96-Q100 WeakPolarHBondContact O-CG 3.17Å; E96-Q100 PolarHBondContact O-N 3.13Å; E96-Q100 PolarHBondContact OE1-NE2 2.89Å; G97-Q100 PolarHBondContact O-N 3.03Å; G97-Q100 VanDerWaalsContact O-N 3.16Å; F98-Q100 VanDerWaalsContact C-N 3.33Å; F98-Q100 PolarHBondContact O-N 3.06Å; Q100-L103 PolarHBondContact O-N 3.15Å; Q100-K105 WeakPolarHBondContact O-CB 3.44Å; Q100-K105 PolarHBondContact O-N 2.95Å; Q100-V106 HydrophobicContact CB-CG2 3.94Å; Q100-F249 HydrophobicContact CB-CD2 4.29Å; Q100-F249 HydrophobicContact CB-CE2 4.33Å; Q100-F249 HydrophobicContact CG-CD2 4.39Å; Q100-F249 HydrophobicContact CG-CE2 4Å; Q100-V272 HydrophobicContact CG-CG1 4.49Å; Q100-V272 HydrophobicContact CG-CG2 4.37Å
101I98.8Very high98.5Very high0 Ų039 Ų390%017%0.169CC..Hα-helixtrans-63.7-48.4172.7-65.4167.6000110.2G97 F98 L103 N104 V106 V149 A153 C161 V163 A263 P265G97-I101 WeakPolarHBondContact O-CG1 3.17Å; G97-I101 PolarHBondContact O-N 3.29Å; F98-I101 HydrophobicContact CD1-CD1 4.47Å; F98-I101 PolarHBondContact O-N 2.89Å; I101-L103 PolarHBondContact O-N 3.25Å; I101-N104 WeakPolarHBondContact O-CA 3.25Å; I101-N104 PolarHBondContact O-N 3.3Å; I101-V106 HydrophobicContact CG1-CB 3.96Å; I101-V106 HydrophobicContact CG1-CG1 4.22Å; I101-V106 HydrophobicContact CG1-CG2 3.8Å; I101-V149 HydrophobicContact CD1-CG2 3.79Å; I101-A153 HydrophobicContact CB-CB 4Å; I101-A153 HydrophobicContact CG2-CB 3.53Å; I101-C161 WeakPolarHBondContact O-CB 3.27Å; I101-V163 HydrophobicContact CG2-CG2 3.71Å; I101-A263 HydrophobicContact CD1-CB 4.25Å; I101-A263 WeakPolarHBondContact CD1-O 3.34Å; I101-P265 HydrophobicContact CD1-CB 4.35Å
102A98.6Very high98.5Very high8 Ų831.1 Ų31.17%0.06614%0.14CC..Hα-helixtrans-60.4-28.1179.100000113.2F98 R99 N104 A153 H157 T159F98-A102 VanDerWaalsContact O-CB 3.31Å; F98-A102 WeakPolarHBondContact O-CB 3.4Å; F98-A102 PolarHBondContact O-N 3.31Å; R99-A102 PolarHBondContact O-N 3.42Å; A102-N104 VanDerWaalsContact C-N 3.27Å; A102-N104 PolarHBondContact O-N 2.97Å; A102-A153 HydrophobicContact CB-CB 4.45Å; A102-H157 HydrophobicContact CB-CB 3.77Å; A102-H157 VanDerWaalsContact CB-CD2 3.44Å; A102-H157 WeakPolarHBondContact CB-CD2 3.45Å; A102-T159 HydrophobicContact CB-CG2 3.83Å
103L98.6Very high98.2Very high89 Ų8924 Ų2447%0.46611%0.114SC..THydrogen-bonded Turntrans-83.15.4174.4-69.5174.4000114.1R99 Q100 I101 K105R99-L103 HydrophobicContact CG-CD1 4.37Å; R99-L103 VanDerWaalsContact O-CG 3.25Å; R99-L103 WeakPolarHBondContact O-CG 3.03Å; R99-L103 PolarHBondContact O-N 3.06Å; R99-L103 VanDerWaalsContact O-N 3.09Å; Q100-L103 PolarHBondContact O-N 3.15Å; I101-L103 PolarHBondContact O-N 3.25Å; L103-K105 HydrophobicContact CB-CD 4.09Å; L103-K105 HydrophobicContact CB-CG 4.07Å; L103-K105 HydrophobicContact CD1-CD 4.4Å; L103-K105 PolarHBondContact O-N 3.19Å
104N98.6Very high97.3Very high58 Ų5825.4 Ų25.431%0.3113%0.134SC..THydrogen-bonded Turntrans59.227.6-175.9-57.7-46.9000113.9I101 A102 C161 T162I101-N104 WeakPolarHBondContact O-CA 3.25Å; I101-N104 PolarHBondContact O-N 3.3Å; A102-N104 VanDerWaalsContact C-N 3.27Å; A102-N104 PolarHBondContact O-N 2.97Å; N104-C161 WeakPolarHBondContact OD1-CA 3.33Å; N104-C161 WeakPolarHBondContact OD1-CB 3.35Å; N104-T162 PolarHBondContact OD1-N 3.4Å; N104-T162 PolarHBondContact OD1-O 3.13Å
105K98.9Very high96.4Very high51 Ų5127 Ų2722%0.22214%0.142CC..  trans-91.9-5.4-177.6-72.1179.9164.4-146.90113.8Q100 L103 E248 F249Q100-K105 WeakPolarHBondContact O-CB 3.44Å; Q100-K105 PolarHBondContact O-N 2.95Å; L103-K105 HydrophobicContact CB-CD 4.09Å; L103-K105 HydrophobicContact CB-CG 4.07Å; L103-K105 HydrophobicContact CD1-CD 4.4Å; L103-K105 PolarHBondContact O-N 3.19Å; K105-E248 HydrophobicContact CB-CB 4.32Å; K105-E248 HydrophobicContact CD-CG 4.44Å; K105-E248 WeakPolarHBondContact CE-OE1 3.28Å; K105-E248 HydrophobicContact CG-CG 4.39Å; K105-E248 IonicContact NZ-OE1 3.41Å; K105-E248 PolarHBondContact NZ-OE1 3.16Å; K105-E248 IonicContact NZ-OE2 2.57Å; K105-E248 PolarHBondContact NZ-OE2 2.73Å; K105-E248 PolarHBondContact O-N 2.83Å; K105-F249 HydrophobicContact CB-CD2 4.24Å; K105-F249 HydrophobicContact CB-CE2 4.37Å; K105-F249 PolarHBondContact O-N 2.82Å
106V98.9Very high95.4Very high1 Ų123.2 Ų23.21%0.00612%0.124CC..EExtended strand (participates in β ladder)trans-111134.2-174.6177.20000110.4Q100 I101 P164 F249 A263 I268Q100-V106 HydrophobicContact CB-CG2 3.94Å; I101-V106 HydrophobicContact CG1-CB 3.96Å; I101-V106 HydrophobicContact CG1-CG1 4.22Å; I101-V106 HydrophobicContact CG1-CG2 3.8Å; V106-P164 WeakPolarHBondContact O-CD 3.16Å; V106-F249 WeakPolarHBondContact CA-O 3.41Å; V106-F249 HydrophobicContact CG2-CB 4.43Å; V106-F249 HydrophobicContact CG2-CD2 4.4Å; V106-A263 HydrophobicContact CG1-CB 3.97Å; V106-I268 HydrophobicContact CG1-CD1 3.53Å; V106-I268 HydrophobicContact CG2-CD1 4.16Å; V106-I268 HydrophobicContact CG2-CG2 4.12Å
107A98.9Very high94.5Very high0 Ų026.4 Ų26.40%015%0.146CC..EExtended strand (participates in β ladder)trans-125.2160.2165.600000110.8P164 Y166 V247 F249 V250 H251A107-P164 WeakPolarHBondContact CA-O 3.47Å; A107-P164 HydrophobicContact CB-CB 4.27Å; A107-P164 WeakPolarHBondContact CB-O 3.35Å; A107-Y166 HydrophobicContact CB-CD2 3.94Å; A107-Y166 HydrophobicContact CB-CE2 3.64Å; A107-V247 HydrophobicContact CB-CB 4.5Å; A107-V247 HydrophobicContact CB-CG1 3.66Å; A107-V247 HydrophobicContact CB-CG2 3.99Å; A107-F249 PolarHBondContact N-O 3.31Å; A107-V250 WeakPolarHBondContact O-CA 3.4Å; A107-H251 PolarHBondContact O-N 3.35Å
108V98.9Very high93.7Very high0 Ų034.5 Ų34.50%018%0.176CC..EExtended strand (participates in β ladder)trans-111.5139.7169-650000109.7I146 V163 P164 W165 Y166 H251 Y253 A263V108-I146 HydrophobicContact CG2-CD1 3.71Å; V108-I146 HydrophobicContact CG2-CG1 4.18Å; V108-V163 HydrophobicContact CG1-CG1 3.97Å; V108-V163 HydrophobicContact CG2-CG1 4.18Å; V108-P164 PolarHBondContact N-O 3.09Å; V108-W165 HydrophobicContact CG2-CB 4.08Å; V108-W165 HydrophobicContact CG2-CG 3.94Å; V108-Y166 PolarHBondContact O-N 2.86Å; V108-H251 CarbonylContact C-O 3.54Å; V108-H251 WeakPolarHBondContact CA-O 3.27Å; V108-H251 HydrophobicContact CG1-CB 4.23Å; V108-Y253 HydrophobicContact CB-CE1 4.12Å; V108-A263 HydrophobicContact CG1-CB 3.84Å
109L98.9Very high93.1Very high0 Ų034.6 Ų34.60%018%0.177CC..EExtended strand (participates in β ladder)trans-124.1115.8178-170154.9000109.9L111 Y166 F197 L229 L233 M242 V250 H251 V252 Y253L109-L111 HydrophobicContact CD2-CD2 3.77Å; L109-Y166 CarbonylContact C-O 3.45Å; L109-Y166 VanDerWaalsContact CA-O 3.31Å; L109-Y166 WeakPolarHBondContact CA-O 3.24Å; L109-F197 HydrophobicContact CD1-CZ 4.24Å; L109-L229 HydrophobicContact CD1-CD1 3.79Å; L109-L229 HydrophobicContact CD2-CD1 3.57Å; L109-L229 HydrophobicContact CD2-CD2 4.19Å; L109-L229 HydrophobicContact CG-CD1 4.34Å; L109-L233 HydrophobicContact CD1-CD2 3.89Å; L109-M242 HydrophobicContact CD1-CE 4.08Å; L109-V250 HydrophobicContact CB-CG1 3.69Å; L109-V250 HydrophobicContact CD1-CG1 4.36Å; L109-H251 PolarHBondContact N-O 2.9Å; L109-V252 HydrophobicContact CB-CG2 4.09Å; L109-V252 HydrophobicContact CD2-CG1 4.17Å; L109-V252 HydrophobicContact CD2-CG2 4.37Å; L109-V252 CarbonylContact O-C 3.57Å; L109-V252 VanDerWaalsContact O-CA 3.27Å; L109-V252 WeakPolarHBondContact O-CA 3.33Å; L109-Y253 WeakPolarHBondContact O-CD1 3.48Å; L109-Y253 PolarHBondContact O-N 3.26Å
110L98.9Very high92.5Very high0 Ų033.5 Ų33.50%020%0.195CC..EExtended strand (participates in β ladder)trans-95.7126.6-176.5169.860.9000111.3A112 Y139 W165 Y166 V167 M168 Y253 V255L110-A112 HydrophobicContact CD1-CB 4.39Å; L110-A112 HydrophobicContact CD2-CB 3.93Å; L110-A112 HydrophobicContact CG-CB 3.8Å; L110-A112 PolarHBondContact O-N 3.38Å; L110-Y139 HydrophobicContact CD2-CD1 4.23Å; L110-Y139 HydrophobicContact CD2-CE1 3.69Å; L110-W165 HydrophobicContact CD2-CZ2 3.7Å; L110-Y166 PolarHBondContact N-O 2.85Å; L110-V167 HydrophobicContact CB-CG2 4.47Å; L110-V167 HydrophobicContact CD2-CG1 4.03Å; L110-V167 HydrophobicContact CD2-CG2 4.36Å; L110-V167 HydrophobicContact CG-CG1 4.41Å; L110-M168 WeakPolarHBondContact O-CB 3.45Å; L110-M168 PolarHBondContact O-N 3.11Å; L110-Y253 HydrophobicContact CB-CE1 3.85Å; L110-Y253 HydrophobicContact CB-CE2 4.49Å; L110-Y253 HydrophobicContact CD1-CD2 4.04Å; L110-Y253 HydrophobicContact CD1-CE1 4.3Å; L110-Y253 HydrophobicContact CD1-CE2 3.48Å; L110-Y253 VanDerWaalsContact CD1-CE2 3.48Å; L110-Y253 HydrophobicContact CG-CE2 4.47Å; L110-V255 VanDerWaalsContact CD1-CA 3.46Å; L110-V255 HydrophobicContact CD1-CB 3.66Å; L110-V255 HydrophobicContact CD1-CG2 4.06Å; L110-V255 HydrophobicContact CD2-CG2 4.32Å
111L98.5Very high92Very high10 Ų1034.3 Ų34.35%0.05220%0.2CC..EExtended strand (participates in β ladder)trans-88.192.8169.5-50.2172.3000109.3L109 M168 N226 L229 V252 Y253 V255 V385L109-L111 HydrophobicContact CD2-CD2 3.77Å; L111-M168 HydrophobicContact CD2-CE 3.61Å; L111-M168 HydrophobicContact CD2-SD 4.31Å; L111-N226 HydrophobicContact CD1-CB 4.16Å; L111-L229 HydrophobicContact CD2-CD1 4.45Å; L111-L229 HydrophobicContact CD2-CD2 4.22Å; L111-V252 HydrophobicContact CD1-CG1 3.79Å; L111-V252 HydrophobicContact CD2-CG1 4.04Å; L111-V252 HydrophobicContact CG-CG1 3.91Å; L111-Y253 WeakPolarHBondContact CG-O 3.13Å; L111-Y253 PolarHBondContact N-O 3.05Å; L111-V255 PolarHBondContact O-N 3.3Å; L111-V385 HydrophobicContact CD1-CB 4.38Å; L111-V385 HydrophobicContact CD1-CG1 4.13Å; L111-V385 HydrophobicContact CD1-CG2 4.31Å
112A96.7Very high91.5Very high2 Ų240.2 Ų40.22%0.01724%0.237CC..  trans-118.313.7-175.300000114.4L110 G114 V167 M168 V255L110-A112 HydrophobicContact CD1-CB 4.39Å; L110-A112 HydrophobicContact CD2-CB 3.93Å; L110-A112 HydrophobicContact CG-CB 3.8Å; L110-A112 PolarHBondContact O-N 3.38Å; A112-G114 VanDerWaalsContact C-N 3.26Å; A112-G114 PolarHBondContact O-N 2.8Å; A112-V167 HydrophobicContact CB-CG1 4.11Å; A112-M168 CarbonylContact C-O 3.53Å; A112-M168 VanDerWaalsContact C-O 3.31Å; A112-M168 VanDerWaalsContact CA-O 3.32Å; A112-M168 WeakPolarHBondContact CA-O 3.48Å; A112-M168 PolarHBondContact N-O 2.9Å; A112-V255 HydrophobicContact CB-CB 4.36Å; A112-V255 HydrophobicContact CB-CG2 4.37Å
113G89.5Confident91.2Very high5 Ų544.1 Ų44.15%0.05225%0.25CS..  trans-76.2-4.6-17500000116.5M168 S170 Q199G113-M168 PolarHBondContact N-O 3.49Å; G113-M168 VanDerWaalsContact N-O 3.15Å; G113-S170 WeakPolarHBondContact O-CB 3.18Å; G113-S170 PolarHBondContact O-OG 3.37Å; G113-Q199 VanDerWaalsContact CA-NE2 3.34Å
114G81.4Confident91.1Very high48 Ų4839.9 Ų39.950%0.49523%0.228SC..SBendtrans-84.8136.3175.400000113A112A112-G114 VanDerWaalsContact C-N 3.26Å; A112-G114 PolarHBondContact O-N 2.8Å
115Q77.1Confident90.9Very high80 Ų8038.4 Ų38.437%0.37422%0.219SC..BIsolated β-bridgetrans-76.3155.8171.4-65.7-179.2-54.400112.1T117 F172 T173Q115-T117 HydrophobicContact CB-CG2 3.95Å; Q115-T117 PolarHBondContact O-N 2.84Å; Q115-T117 VanDerWaalsContact O-N 3.11Å; Q115-F172 HydrophobicContact CG-CB 4.12Å; Q115-T173 HydrophobicContact CG-CG2 3.88Å
116G78Confident90.8Very high1 Ų136 Ų361%0.0121%0.208CC..SBendtrans-75.92017600000115.5R118 L119 G120 V121 Y123G116-R118 VanDerWaalsContact C-N 3.33Å; G116-R118 PolarHBondContact O-N 3.2Å; G116-L119 WeakPolarHBondContact O-CA 3.21Å; G116-L119 VanDerWaalsContact O-CB 3.26Å; G116-L119 WeakPolarHBondContact O-CB 3.38Å; G116-L119 PolarHBondContact O-N 3.22Å; G116-G120 PolarHBondContact O-N 2.99Å; G116-V121 CarbonylContact C-O 3.44Å; G116-V121 VanDerWaalsContact C-O 3.23Å; G116-V121 WeakPolarHBondContact O-CG2 3.17Å; G116-V121 PolarHBondContact O-N 2.87Å; G116-Y123 PolarHBondContact N-O 3.47Å
117T80.3Confident90.7Very high93 Ų9337 Ų3757%0.57121%0.213SC*.G310 helixtrans-61.1-35.3-169.352.30000113.9Q115 L119 G120 V121Q115-T117 HydrophobicContact CB-CG2 3.95Å; Q115-T117 PolarHBondContact O-N 2.84Å; Q115-T117 VanDerWaalsContact O-N 3.11Å; T117-L119 PolarHBondContact O-N 2.77Å; T117-G120 PolarHBondContact O-N 3.23Å; T117-V121 WeakPolarHBondContact CA-O 3.35Å; T117-V121 PolarHBondContact N-O 2.92Å
118R81.6Confident90.7Very high171 Ų17138.4 Ų38.465%0.64522%0.219SC*.G310 helixtrans-65.7-20.4173.4-171.5173.3173169.32.7113.1G116 G120 K410 N411 A412G116-R118 VanDerWaalsContact C-N 3.33Å; G116-R118 PolarHBondContact O-N 3.2Å; R118-G120 VanDerWaalsContact C-N 3.33Å; R118-K410 WeakPolarHBondContact CD-O 3.43Å; R118-K410 VanDerWaalsContact CG-O 3.26Å; R118-K410 WeakPolarHBondContact CG-O 3.25Å; R118-K410 PolarHBondContact NE-O 2.96Å; R118-N411 PolarHBondContact NE-OD1 2.94Å; R118-N411 PolarHBondContact NH2-OD1 3.47Å; R118-A412 PolarHBondContact O-N 3.32Å
119L86.2Confident90.6Very high9 Ų945.1 Ų45.15%0.04724%0.244CC..G310 helixtrans-89.82.7173.9-51.7177.5000112.6G116 T117 V121 K125 Y128 L409 N411G116-L119 WeakPolarHBondContact O-CA 3.21Å; G116-L119 VanDerWaalsContact O-CB 3.26Å; G116-L119 WeakPolarHBondContact O-CB 3.38Å; G116-L119 PolarHBondContact O-N 3.22Å; T117-L119 PolarHBondContact O-N 2.77Å; L119-V121 VanDerWaalsContact C-N 3.35Å; L119-V121 HydrophobicContact CB-CG2 4.35Å; L119-K125 HydrophobicContact CD1-CD 4.13Å; L119-K125 HydrophobicContact CD1-CG 3.79Å; L119-Y128 HydrophobicContact CB-CD2 4.3Å; L119-Y128 HydrophobicContact CB-CE2 3.68Å; L119-Y128 HydrophobicContact CD1-CD2 3.57Å; L119-Y128 HydrophobicContact CD1-CE2 3.71Å; L119-Y128 HydrophobicContact CD1-CG 4.13Å; L119-Y128 HydrophobicContact CG-CE2 4.32Å; L119-L409 HydrophobicContact CD1-CD1 4.38Å; L119-L409 HydrophobicContact CD1-CD2 3.71Å; L119-L409 HydrophobicContact CD1-CG 3.79Å; L119-L409 HydrophobicContact CD2-CD1 3.95Å; L119-L409 HydrophobicContact CD2-CG 4.01Å; L119-N411 VanDerWaalsContact CD2-C 3.42Å; L119-N411 VanDerWaalsContact CD2-O 3.29Å; L119-N411 WeakPolarHBondContact CD2-O 3.49Å
120G85.8Confident90.5Very high71 Ų7145.6 Ų45.673%0.73225%0.247SC*.THydrogen-bonded Turntrans78.514.2-178.500000114.7G116 T117 R118G116-G120 PolarHBondContact O-N 2.99Å; T117-G120 PolarHBondContact O-N 3.23Å; R118-G120 VanDerWaalsContact C-N 3.33Å
121V89.4Confident90.3Very high23 Ų2347.9 Ų47.914%0.13927%0.27CS..  trans-118.7152.8-178.7-56.20000111.8G116 T117 L119 Y123 Y128G116-V121 CarbonylContact C-O 3.44Å; G116-V121 VanDerWaalsContact C-O 3.23Å; G116-V121 WeakPolarHBondContact O-CG2 3.17Å; G116-V121 PolarHBondContact O-N 2.87Å; T117-V121 WeakPolarHBondContact CA-O 3.35Å; T117-V121 PolarHBondContact N-O 2.92Å; L119-V121 VanDerWaalsContact C-N 3.35Å; L119-V121 HydrophobicContact CB-CG2 4.35Å; V121-Y123 HydrophobicContact CB-CD1 4.03Å; V121-Y123 HydrophobicContact CB-CD2 4.4Å; V121-Y123 HydrophobicContact CB-CE1 3.65Å; V121-Y123 HydrophobicContact CB-CE2 4.06Å; V121-Y123 HydrophobicContact CB-CG 4.4Å; V121-Y123 HydrophobicContact CG1-CE1 3.87Å; V121-Y123 HydrophobicContact CG1-CE2 4.39Å; V121-Y123 HydrophobicContact CG2-CD1 4.49Å; V121-Y123 HydrophobicContact CG2-CD2 3.99Å; V121-Y123 HydrophobicContact CG2-CE1 4.24Å; V121-Y123 HydrophobicContact CG2-CE2 3.71Å; V121-Y123 HydrophobicContact CG2-CG 4.38Å; V121-Y128 HydrophobicContact CG1-CD2 4.42Å; V121-Y128 HydrophobicContact CG1-CE2 3.85Å; V121-Y128 HydrophobicContact CG2-CD2 4.01Å; V121-Y128 HydrophobicContact CG2-CE2 4.07Å
122T87.9Confident90.3Very high125 Ų12547.6 Ų47.677%0.76727%0.269SS*.SBendtrans-94.1-14.1-178.252.40000113.6
123Y92.8Very high90.3Very high89 Ų8949.4 Ų49.435%0.34928%0.281SS..SBendtrans-88.7163.1-179.253.5-104.2000112.9G116 V121 M127 Y128G116-Y123 PolarHBondContact N-O 3.47Å; V121-Y123 HydrophobicContact CB-CD1 4.03Å; V121-Y123 HydrophobicContact CB-CD2 4.4Å; V121-Y123 HydrophobicContact CB-CE1 3.65Å; V121-Y123 HydrophobicContact CB-CE2 4.06Å; V121-Y123 HydrophobicContact CB-CG 4.4Å; V121-Y123 HydrophobicContact CG1-CE1 3.87Å; V121-Y123 HydrophobicContact CG1-CE2 4.39Å; V121-Y123 HydrophobicContact CG2-CD1 4.49Å; V121-Y123 HydrophobicContact CG2-CD2 3.99Å; V121-Y123 HydrophobicContact CG2-CE1 4.24Å; V121-Y123 HydrophobicContact CG2-CE2 3.71Å; V121-Y123 HydrophobicContact CG2-CG 4.38Å; Y123-M127 HydrophobicContact CD2-CB 3.86Å; Y123-M127 HydrophobicContact CE2-CB 4.23Å; Y123-Y128 HydrophobicContact CE2-CD2 4.1Å
124P95.1Very high90.7Very high1 Ų151 Ų511%0.00629%0.291CS..BIsolated β-bridgetrans-56.8140.1175.4-26.434.9000113.3G126 M127 T173 P176P124-G126 PolarHBondContact O-N 3.1Å; P124-G126 VanDerWaalsContact O-N 3.13Å; P124-M127 HydrophobicContact CB-CE 4.12Å; P124-M127 HydrophobicContact CG-CE 3.67Å; P124-M127 HydrophobicContact CG-SD 4.46Å; P124-M127 WeakPolarHBondContact O-CB 3.3Å; P124-M127 PolarHBondContact O-N 3.16Å; P124-T173 HydrophobicContact CB-CG2 4.19Å; P124-T173 HydrophobicContact CG-CG2 3.93Å; P124-P176 HydrophobicContact CG-CB 3.98Å
125K95.1Very high91.5Very high26 Ų2657.6 Ų57.611%0.11330%0.301CS..G310 helixtrans-60.6-29.5-172.9-169.5-175.1-78.7-177.30113.6L119 M127 Y128 V255 D256 L409L119-K125 HydrophobicContact CD1-CD 4.13Å; L119-K125 HydrophobicContact CD1-CG 3.79Å; K125-M127 PolarHBondContact O-N 3.23Å; K125-M127 VanDerWaalsContact O-N 3.15Å; K125-Y128 WeakPolarHBondContact O-CB 3.47Å; K125-Y128 PolarHBondContact O-N 2.7Å; K125-V255 HydrophobicContact CB-CG1 4.13Å; K125-V255 HydrophobicContact CD-CG1 4.2Å; K125-V255 HydrophobicContact CG-CG1 4.5Å; K125-D256 HydrophobicContact CD-CB 3.39Å; K125-D256 IonicContact NZ-OD2 3.01Å; K125-D256 PolarHBondContact NZ-OD2 2.94Å; K125-L409 VanDerWaalsContact CE-O 3.3Å; K125-L409 WeakPolarHBondContact CE-O 3.4Å; K125-L409 HydrophobicContact CG-CD2 4.47Å; K125-L409 PolarHBondContact NZ-O 2.87Å
126G97.3Very high92.5Very high0 Ų054.8 Ų54.80%029%0.287CS..G310 helixtrans-62.1-21.7177.900000114.2P124 Y128 L138 Y139P124-G126 PolarHBondContact O-N 3.1Å; P124-G126 VanDerWaalsContact O-N 3.13Å; G126-Y128 PolarHBondContact O-N 2.91Å; G126-L138 PolarHBondContact O-N 2.93Å; G126-Y139 VanDerWaalsContact C-CE2 3.41Å; G126-Y139 VanDerWaalsContact O-CD2 3.28Å; G126-Y139 WeakPolarHBondContact O-CD2 3.12Å; G126-Y139 PolarHBondContact O-N 2.69Å
127M97.4Very high93.5Very high23 Ų2354.8 Ų54.811%0.11329%0.287CS..G310 helixtrans-80.2-4.3175.3-53.3178.6-170.700113.1Y123 P124 K125 T137 Y139 P176 F180Y123-M127 HydrophobicContact CD2-CB 3.86Å; Y123-M127 HydrophobicContact CE2-CB 4.23Å; P124-M127 HydrophobicContact CB-CE 4.12Å; P124-M127 HydrophobicContact CG-CE 3.67Å; P124-M127 HydrophobicContact CG-SD 4.46Å; P124-M127 WeakPolarHBondContact O-CB 3.3Å; P124-M127 PolarHBondContact O-N 3.16Å; K125-M127 PolarHBondContact O-N 3.23Å; K125-M127 VanDerWaalsContact O-N 3.15Å; M127-T137 WeakPolarHBondContact O-CG2 3.32Å; M127-Y139 HydrophobicContact CG-CD2 4.05Å; M127-Y139 HydrophobicContact CG-CE2 3.91Å; M127-P176 HydrophobicContact CE-CB 3.84Å; M127-P176 WeakPolarHBondContact CE-O 3.4Å; M127-F180 HydrophobicContact CB-CE1 4.41Å; M127-F180 HydrophobicContact CB-CE2 4.42Å; M127-F180 HydrophobicContact CB-CZ 4.36Å; M127-F180 HydrophobicContact CE-CB 3.53Å; M127-F180 HydrophobicContact CE-CG 4Å; M127-F180 HydrophobicContact CG-CB 4.38Å; M127-F180 HydrophobicContact CG-CD1 3.82Å; M127-F180 HydrophobicContact CG-CD2 4.09Å; M127-F180 HydrophobicContact CG-CE1 4.08Å; M127-F180 HydrophobicContact CG-CE2 4.35Å; M127-F180 HydrophobicContact CG-CG 3.84Å; M127-F180 HydrophobicContact CG-CZ 4.38Å; M127-F180 HydrophobicContact SD-CB 4.08Å; M127-F180 HydrophobicContact SD-CD2 4.04Å; M127-F180 HydrophobicContact SD-CG 3.98Å
128Y97.5Very high94.4Very high30 Ų3050.5 Ų50.512%0.11826%0.261CS..  trans-67.9136.1-174.5-153.9-81.3000111.4L119 V121 Y123 K125 G126 V130 T137 L138 L409 P420L119-Y128 HydrophobicContact CB-CD2 4.3Å; L119-Y128 HydrophobicContact CB-CE2 3.68Å; L119-Y128 HydrophobicContact CD1-CD2 3.57Å; L119-Y128 HydrophobicContact CD1-CE2 3.71Å; L119-Y128 HydrophobicContact CD1-CG 4.13Å; L119-Y128 HydrophobicContact CG-CE2 4.32Å; V121-Y128 HydrophobicContact CG1-CD2 4.42Å; V121-Y128 HydrophobicContact CG1-CE2 3.85Å; V121-Y128 HydrophobicContact CG2-CD2 4.01Å; V121-Y128 HydrophobicContact CG2-CE2 4.07Å; Y123-Y128 HydrophobicContact CE2-CD2 4.1Å; K125-Y128 WeakPolarHBondContact O-CB 3.47Å; K125-Y128 PolarHBondContact O-N 2.7Å; G126-Y128 PolarHBondContact O-N 2.91Å; Y128-V130 HydrophobicContact CD1-CG1 4.11Å; Y128-T137 WeakPolarHBondContact O-CA 3.32Å; Y128-L138 PolarHBondContact O-N 3.06Å; Y128-L409 HydrophobicContact CD1-CD2 3.67Å; Y128-L409 HydrophobicContact CE1-CD2 4.27Å; Y128-L409 HydrophobicContact CG-CD2 3.83Å; Y128-P420 HydrophobicContact CE1-CB 4.03Å; Y128-P420 HydrophobicContact CE1-CG 3.64Å; Y128-P420 WeakPolarHBondContact OH-CG 3.32Å
129R97Very high95.2Very high141 Ų14142.3 Ų42.353%0.53223%0.23SC..  trans-105.1115.6172.7-64.4-179.4178.2166.2-0108.4G131 R135 T137R129-G131 PolarHBondContact O-N 2.86Å; R129-R135 VanDerWaalsContact CD-O 3.25Å; R129-R135 WeakPolarHBondContact CD-O 3.41Å; R129-R135 WeakPolarHBondContact CG-O 3.33Å; R129-R135 PolarHBondContact NE-O 3.2Å; R129-T137 HydrophobicContact CG-CG2 3.7Å
130V96.3Very high95.8Very high10 Ų1044.2 Ų44.26%0.06124%0.239CC..  trans-83.51.8-176.9-57.80000113.8Y128 L132 I258 L409 P420 R424Y128-V130 HydrophobicContact CD1-CG1 4.11Å; V130-L132 HydrophobicContact CG2-CD1 4.34Å; V130-L132 HydrophobicContact CG2-CD2 4.34Å; V130-L132 HydrophobicContact CG2-CG 3.82Å; V130-I258 HydrophobicContact CB-CD1 4.49Å; V130-I258 HydrophobicContact CG1-CD1 4.35Å; V130-I258 HydrophobicContact CG2-CD1 3.45Å; V130-I258 VanDerWaalsContact CG2-CD1 3.45Å; V130-L409 HydrophobicContact CG1-CD2 4.01Å; V130-P420 HydrophobicContact CB-CB 4.46Å; V130-R424 HydrophobicContact CB-CB 4.38Å; V130-R424 HydrophobicContact CG2-CB 4Å
131G96.1Very high96.4Very high47 Ų4741 Ų4149%0.48521%0.205SC..  trans91.126-178.800000114.7R129 R424R129-G131 PolarHBondContact O-N 2.86Å; G131-R424 WeakPolarHBondContact O-CD 3.3Å; G131-R424 PolarHBondContact O-NE 3.37Å
132L97.7Very high96.9Very high4 Ų440 Ų402%0.02120%0.199CC..  trans-61.1149169.4-65.8174000111.3V130 S134 R135 L141 I258 R424 L427 L428V130-L132 HydrophobicContact CG2-CD1 4.34Å; V130-L132 HydrophobicContact CG2-CD2 4.34Å; V130-L132 HydrophobicContact CG2-CG 3.82Å; L132-S134 PolarHBondContact O-N 3.06Å; L132-R135 WeakPolarHBondContact O-CA 3.36Å; L132-R135 PolarHBondContact O-N 3.43Å; L132-L141 HydrophobicContact CD1-CD1 3.8Å; L132-L141 HydrophobicContact CD1-CD2 4.42Å; L132-I258 HydrophobicContact CD1-CD1 4.33Å; L132-R424 HydrophobicContact CD2-CG 4.15Å; L132-L427 HydrophobicContact CD1-CD2 3.55Å; L132-L427 HydrophobicContact CD2-CB 4.4Å; L132-L427 HydrophobicContact CD2-CD2 3.74Å; L132-L427 HydrophobicContact CG-CD2 4.29Å; L132-L428 HydrophobicContact CD2-CD2 4.18Å; L132-L428 HydrophobicContact CD2-CG 4.23Å
133P97.3Very high97.4Very high41 Ų4134.1 Ų34.127%0.26616%0.162SC..THydrogen-bonded Turntrans-46.9-44.3171.8-28.833.5000114.1R135 L428 I465 E467 I493P133-R135 PolarHBondContact O-N 3Å; P133-L428 HydrophobicContact CG-CD2 4.37Å; P133-I465 HydrophobicContact CG-CG2 3.75Å; P133-E467 WeakPolarHBondContact CB-OE2 3.5Å; P133-E467 WeakPolarHBondContact CD-OE2 3.46Å; P133-E467 HydrophobicContact CG-CB 4.34Å; P133-I493 HydrophobicContact CB-CD1 3.54Å; P133-I493 HydrophobicContact CB-CG1 3.83Å
134S97.8Very high97.7Very high38 Ų3830.3 Ų30.327%0.26615%0.148SC..THydrogen-bonded Turntrans-69.3-16177.369.90000114.6L132 K136 E467L132-S134 PolarHBondContact O-N 3.06Å; S134-K136 PolarHBondContact O-N 3.49Å; S134-K136 VanDerWaalsContact O-N 3.15Å; S134-K136 WeakPolarHBondContact OG-CB 3.29Å; S134-K136 WeakPolarHBondContact OG-CG 3.34Å; S134-K136 PolarHBondContact OG-N 3Å; S134-E467 WeakPolarHBondContact CB-OE1 3.25Å; S134-E467 WeakPolarHBondContact CB-OE2 3.21Å; S134-E467 PolarHBondContact N-OE2 3.16Å; S134-E467 VanDerWaalsContact OG-CD 3.24Å; S134-E467 PolarHBondContact OG-OE1 3.45Å; S134-E467 PolarHBondContact OG-OE2 3.01Å
135R97.9Very high97.9Very high186 Ų18630.8 Ų30.870%0.70215%0.149SC*.  trans59.116.7-172.7-50.5178.3179.3-175-1.2114.4R129 L132 P133R129-R135 VanDerWaalsContact CD-O 3.25Å; R129-R135 WeakPolarHBondContact CD-O 3.41Å; R129-R135 WeakPolarHBondContact CG-O 3.33Å; R129-R135 PolarHBondContact NE-O 3.2Å; L132-R135 WeakPolarHBondContact O-CA 3.36Å; L132-R135 PolarHBondContact O-N 3.43Å; P133-R135 PolarHBondContact O-N 3Å
136K98.6Very high98Very high21 Ų2129.6 Ų29.69%0.09114%0.144CC..  trans-59145.9176.8-70177.9179.4-177.10111.4S134 Q140 L141 E144 S469S134-K136 PolarHBondContact O-N 3.49Å; S134-K136 VanDerWaalsContact O-N 3.15Å; S134-K136 WeakPolarHBondContact OG-CB 3.29Å; S134-K136 WeakPolarHBondContact OG-CG 3.34Å; S134-K136 PolarHBondContact OG-N 3Å; K136-Q140 HydrophobicContact CB-CB 4.4Å; K136-Q140 HydrophobicContact CB-CG 4.41Å; K136-Q140 HydrophobicContact CD-CG 4.33Å; K136-Q140 HydrophobicContact CG-CG 4.16Å; K136-L141 HydrophobicContact CB-CD2 4.11Å; K136-L141 HydrophobicContact CB-CG 4.12Å; K136-L141 HydrophobicContact CD-CD2 4.06Å; K136-E144 WeakPolarHBondContact CE-OE1 3.38Å; K136-E144 IonicContact NZ-OE1 3.88Å; K136-E144 PolarHBondContact NZ-OE1 2.86Å; K136-E144 IonicContact NZ-OE2 2.82Å; K136-E144 PolarHBondContact NZ-OE2 2.83Å; K136-S469 PolarHBondContact NZ-OG 2.74Å
137T98.7Very high98.1Very high2 Ų231.9 Ų31.91%0.01215%0.153CC..  trans-85.1167.8172.362.40000110.9M127 Y128 R129 Y139 Q140 L141 F180M127-T137 WeakPolarHBondContact O-CG2 3.32Å; Y128-T137 WeakPolarHBondContact O-CA 3.32Å; R129-T137 HydrophobicContact CG-CG2 3.7Å; T137-Y139 VanDerWaalsContact C-N 3.29Å; T137-Y139 PolarHBondContact O-N 3.4Å; T137-Q140 PolarHBondContact O-N 2.97Å; T137-Q140 PolarHBondContact OG1-N 2.93Å; T137-L141 WeakPolarHBondContact O-CG 3.32Å; T137-L141 PolarHBondContact O-N 2.85Å; T137-F180 HydrophobicContact CG2-CE1 4.34Å; T137-F180 HydrophobicContact CG2-CZ 3.71Å
138L98.6Very high98.2Very high2 Ų232.2 Ų32.21%0.0115%0.153CC..Hα-helixtrans-58.7-41.8172.2-60.2179.5000111.7G126 Y128 Q140 L141 Q142 I258 L409G126-L138 PolarHBondContact O-N 2.93Å; Y128-L138 PolarHBondContact O-N 3.06Å; L138-Q140 VanDerWaalsContact C-N 3.35Å; L138-Q140 PolarHBondContact O-N 3.42Å; L138-L141 PolarHBondContact O-N 2.82Å; L138-Q142 WeakPolarHBondContact O-CB 3.45Å; L138-Q142 WeakPolarHBondContact O-CG 3.37Å; L138-Q142 PolarHBondContact O-N 2.96Å; L138-I258 HydrophobicContact CD2-CB 4.03Å; L138-I258 HydrophobicContact CD2-CD1 4.25Å; L138-I258 HydrophobicContact CD2-CG1 3.88Å; L138-L409 HydrophobicContact CD1-CD2 4.1Å
139Y98.7Very high98.2Very high0 Ų030.8 Ų30.80%015%0.147CC..Hα-helixtrans-60.1-42.8176.2-77-47.2000112.6L110 G126 M127 T137 Q142 A143 W165 T177 F180 F181 V255L110-Y139 HydrophobicContact CD2-CD1 4.23Å; L110-Y139 HydrophobicContact CD2-CE1 3.69Å; G126-Y139 VanDerWaalsContact C-CE2 3.41Å; G126-Y139 VanDerWaalsContact O-CD2 3.28Å; G126-Y139 WeakPolarHBondContact O-CD2 3.12Å; G126-Y139 PolarHBondContact O-N 2.69Å; M127-Y139 HydrophobicContact CG-CD2 4.05Å; M127-Y139 HydrophobicContact CG-CE2 3.91Å; T137-Y139 VanDerWaalsContact C-N 3.29Å; T137-Y139 PolarHBondContact O-N 3.4Å; Y139-Q142 PolarHBondContact O-N 2.84Å; Y139-A143 WeakPolarHBondContact O-CB 3.47Å; Y139-A143 PolarHBondContact O-N 3.34Å; Y139-W165 HydrophobicContact CD1-CH2 4.15Å; Y139-W165 HydrophobicContact CD1-CZ2 4.35Å; Y139-T177 HydrophobicContact CE2-CG2 4.08Å; Y139-F180 AromaticContact CD2-CD1 3.93Å; Y139-F180 HydrophobicContact CD2-CD1 3.93Å; Y139-F180 HydrophobicContact CD2-CE1 4.03Å; Y139-F181 AromaticContact CD1-CE2 3.66Å; Y139-F181 HydrophobicContact CD1-CE2 3.66Å; Y139-F181 AromaticContact CD1-CZ 3.74Å; Y139-F181 HydrophobicContact CD1-CZ 3.74Å; Y139-F181 AromaticContact CD2-CE2 3.76Å; Y139-F181 HydrophobicContact CD2-CE2 3.76Å; Y139-F181 AromaticContact CE1-CE2 3.9Å; Y139-F181 HydrophobicContact CE1-CE2 3.9Å; Y139-F181 HydrophobicContact CE1-CZ 4.14Å; Y139-F181 HydrophobicContact CE2-CE2 4.02Å; Y139-F181 AromaticContact CG-CE2 3.6Å; Y139-F181 HydrophobicContact CG-CE2 3.6Å; Y139-F181 HydrophobicContact CG-CZ 4.01Å; Y139-V255 HydrophobicContact CE1-CG2 4.22Å
140Q98.8Very high98.3Very high49 Ų4925.8 Ų25.823%0.22913%0.13CC..Hα-helixtrans-66.5-46.2179.6-177.1171.9-2.200111.5K136 T137 L138 Q142 A143 E144 F187K136-Q140 HydrophobicContact CB-CB 4.4Å; K136-Q140 HydrophobicContact CB-CG 4.41Å; K136-Q140 HydrophobicContact CD-CG 4.33Å; K136-Q140 HydrophobicContact CG-CG 4.16Å; T137-Q140 PolarHBondContact O-N 2.97Å; T137-Q140 PolarHBondContact OG1-N 2.93Å; L138-Q140 VanDerWaalsContact C-N 3.35Å; L138-Q140 PolarHBondContact O-N 3.42Å; Q140-Q142 VanDerWaalsContact C-N 3.26Å; Q140-Q142 PolarHBondContact O-N 3.38Å; Q140-A143 PolarHBondContact O-N 2.88Å; Q140-E144 HydrophobicContact CG-CG 4.38Å; Q140-E144 WeakPolarHBondContact CG-OE1 3.21Å; Q140-E144 PolarHBondContact NE2-OE1 2.89Å; Q140-E144 WeakPolarHBondContact O-CB 3.5Å; Q140-E144 WeakPolarHBondContact O-CG 3.35Å; Q140-E144 PolarHBondContact O-N 2.8Å; Q140-F187 HydrophobicContact CB-CD1 3.74Å; Q140-F187 HydrophobicContact CB-CE1 3.77Å; Q140-F187 HydrophobicContact CB-CG 4.49Å; Q140-F187 HydrophobicContact CG-CD1 3.78Å; Q140-F187 HydrophobicContact CG-CE1 4.24Å
141L98.9Very high98.4Very high4 Ų428.8 Ų28.82%0.02114%0.143CC..Hα-helixtrans-58-41.6176.3-68.4170.1000111.6L132 K136 T137 L138 R145 I258 L427 P470L132-L141 HydrophobicContact CD1-CD1 3.8Å; L132-L141 HydrophobicContact CD1-CD2 4.42Å; K136-L141 HydrophobicContact CB-CD2 4.11Å; K136-L141 HydrophobicContact CB-CG 4.12Å; K136-L141 HydrophobicContact CD-CD2 4.06Å; T137-L141 WeakPolarHBondContact O-CG 3.32Å; T137-L141 PolarHBondContact O-N 2.85Å; L138-L141 PolarHBondContact O-N 2.82Å; L141-R145 VanDerWaalsContact O-CG 3.32Å; L141-R145 WeakPolarHBondContact O-CG 3.13Å; L141-R145 PolarHBondContact O-N 3.04Å; L141-R145 VanDerWaalsContact O-N 3.08Å; L141-I258 HydrophobicContact CD1-CD1 4.23Å; L141-I258 HydrophobicContact CD1-CG1 3.9Å; L141-L427 HydrophobicContact CD1-CD2 4.24Å; L141-P470 HydrophobicContact CD2-CG 4.3Å
142Q98.9Very high98.5Very high2 Ų227.7 Ų27.71%0.00913%0.126CC..Hα-helixtrans-64.3-49.9176.3-74.8166.817.100111.2L138 Y139 Q140 E144 R145 I146 W165 Y253 V255 V260 L262L138-Q142 WeakPolarHBondContact O-CB 3.45Å; L138-Q142 WeakPolarHBondContact O-CG 3.37Å; L138-Q142 PolarHBondContact O-N 2.96Å; Y139-Q142 PolarHBondContact O-N 2.84Å; Q140-Q142 VanDerWaalsContact C-N 3.26Å; Q140-Q142 PolarHBondContact O-N 3.38Å; Q142-E144 VanDerWaalsContact C-N 3.32Å; Q142-E144 PolarHBondContact O-N 2.62Å; Q142-R145 WeakPolarHBondContact O-CB 3.41Å; Q142-R145 PolarHBondContact O-N 3.18Å; Q142-R145 VanDerWaalsContact O-N 3.14Å; Q142-I146 PolarHBondContact O-N 3.15Å; Q142-W165 HydrophobicContact CB-CH2 3.98Å; Q142-W165 HydrophobicContact CB-CZ2 3.97Å; Q142-Y253 HydrophobicContact CG-CE2 4.33Å; Q142-Y253 PolarHBondContact OE1-OH 2.96Å; Q142-V255 PolarHBondContact NE2-O 3.1Å; Q142-V260 HydrophobicContact CG-CG1 4.09Å; Q142-L262 HydrophobicContact CB-CD1 3.6Å; Q142-L262 HydrophobicContact CG-CD1 3.95Å; Q142-L262 VanDerWaalsContact O-CD1 3.29Å; Q142-L262 WeakPolarHBondContact O-CD1 3.43Å
143A98.9Very high98.5Very high0 Ų027.5 Ų27.50%013%0.125CC..Hα-helixtrans-59.3-42.4178.500000112.6Y139 Q140 R145 I146 R147 W165 F187 L189Y139-A143 WeakPolarHBondContact O-CB 3.47Å; Y139-A143 PolarHBondContact O-N 3.34Å; Q140-A143 PolarHBondContact O-N 2.88Å; A143-R145 VanDerWaalsContact C-N 3.34Å; A143-R145 PolarHBondContact O-N 2.94Å; A143-I146 PolarHBondContact O-N 2.93Å; A143-R147 WeakPolarHBondContact O-CG 3.22Å; A143-R147 PolarHBondContact O-N 3.06Å; A143-W165 HydrophobicContact CB-CH2 4.35Å; A143-W165 HydrophobicContact CB-CZ3 3.84Å; A143-F187 HydrophobicContact CB-CB 3.47Å; A143-F187 VanDerWaalsContact CB-CB 3.47Å; A143-F187 HydrophobicContact CB-CD2 3.78Å; A143-F187 HydrophobicContact CB-CG 3.85Å; A143-L189 HydrophobicContact CB-CD1 3.79Å; A143-L189 HydrophobicContact CB-CG 4.47Å
144E98.9Very high98.5Very high9 Ų926 Ų264%0.04212%0.118CC..Hα-helixtrans-63.9-36.9176.8-72.2-179.6-165.300112.2K136 Q140 Q142 R147 R148 S469 P470 L471K136-E144 WeakPolarHBondContact CE-OE1 3.38Å; K136-E144 IonicContact NZ-OE1 3.88Å; K136-E144 PolarHBondContact NZ-OE1 2.86Å; K136-E144 IonicContact NZ-OE2 2.82Å; K136-E144 PolarHBondContact NZ-OE2 2.83Å; Q140-E144 HydrophobicContact CG-CG 4.38Å; Q140-E144 WeakPolarHBondContact CG-OE1 3.21Å; Q140-E144 PolarHBondContact NE2-OE1 2.89Å; Q140-E144 WeakPolarHBondContact O-CB 3.5Å; Q140-E144 WeakPolarHBondContact O-CG 3.35Å; Q140-E144 PolarHBondContact O-N 2.8Å; Q142-E144 VanDerWaalsContact C-N 3.32Å; Q142-E144 PolarHBondContact O-N 2.62Å; E144-R147 PolarHBondContact O-N 3.25Å; E144-R148 WeakPolarHBondContact O-CB 3.47Å; E144-R148 PolarHBondContact O-N 3.46Å; E144-S469 PolarHBondContact OE2-OG 3.36Å; E144-S469 VanDerWaalsContact OE2-OG 3.14Å; E144-P470 HydrophobicContact CB-CB 3.88Å; E144-P470 HydrophobicContact CB-CG 4.06Å; E144-P470 WeakPolarHBondContact OE2-CD 3.47Å; E144-L471 HydrophobicContact CB-CD1 4.39Å; E144-L471 HydrophobicContact CB-CD2 4.34Å; E144-L471 HydrophobicContact CB-CG 3.98Å; E144-L471 HydrophobicContact CG-CD1 3.88Å; E144-L471 HydrophobicContact CG-CG 4.04Å
145R98.9Very high98.5Very high12 Ų1230.7 Ų30.75%0.04514%0.135CC..Hα-helixtrans-65.2-39.5173.3-75.9174.8-178.4150.27.4112.8L141 Q142 A143 R148 V149 I258 V260 L262 P470 Y474L141-R145 VanDerWaalsContact O-CG 3.32Å; L141-R145 WeakPolarHBondContact O-CG 3.13Å; L141-R145 PolarHBondContact O-N 3.04Å; L141-R145 VanDerWaalsContact O-N 3.08Å; Q142-R145 WeakPolarHBondContact O-CB 3.41Å; Q142-R145 PolarHBondContact O-N 3.18Å; Q142-R145 VanDerWaalsContact O-N 3.14Å; A143-R145 VanDerWaalsContact C-N 3.34Å; A143-R145 PolarHBondContact O-N 2.94Å; R145-R148 PolarHBondContact O-N 3.1Å; R145-V149 PolarHBondContact O-N 3.26Å; R145-I258 VanDerWaalsContact CZ-O 3.27Å; R145-I258 PolarHBondContact NH1-O 3.35Å; R145-I258 PolarHBondContact NH2-O 2.78Å; R145-V260 WeakPolarHBondContact CD-O 3.35Å; R145-V260 PolarHBondContact NE-O 2.88Å; R145-V260 PolarHBondContact NH1-O 3.16Å; R145-L262 HydrophobicContact CB-CB 4.2Å; R145-L262 HydrophobicContact CB-CD1 4.49Å; R145-L262 HydrophobicContact CB-CG 4.37Å; R145-P470 HydrophobicContact CB-CB 4.49Å; R145-P470 HydrophobicContact CG-CB 3.65Å; R145-P470 HydrophobicContact CG-CG 3.93Å; R145-Y474 HydrophobicContact CB-CD2 4.35Å; R145-Y474 HydrophobicContact CB-CE2 4.07Å; R145-Y474 HydrophobicContact CG-CD2 4.42Å; R145-Y474 HydrophobicContact CG-CE2 4.37Å
146I98.9Very high98.4Very high0 Ų026.9 Ų26.90%012%0.121CC..Hα-helixtrans-62.7-48.9174.1-65.1167.7000109.8V108 Q142 A143 R148 V149 E150 V163 W165 L189 L262V108-I146 HydrophobicContact CG2-CD1 3.71Å; V108-I146 HydrophobicContact CG2-CG1 4.18Å; Q142-I146 PolarHBondContact O-N 3.15Å; A143-I146 PolarHBondContact O-N 2.93Å; I146-R148 VanDerWaalsContact C-N 3.28Å; I146-R148 PolarHBondContact O-N 3.24Å; I146-V149 WeakPolarHBondContact O-CG1 3.13Å; I146-V149 PolarHBondContact O-N 3.45Å; I146-E150 WeakPolarHBondContact O-CG 3.13Å; I146-E150 PolarHBondContact O-N 3.42Å; I146-V163 HydrophobicContact CG2-CB 4.1Å; I146-V163 HydrophobicContact CG2-CG1 4.45Å; I146-W165 HydrophobicContact CD1-CB 4.03Å; I146-W165 HydrophobicContact CD1-CD2 3.54Å; I146-W165 HydrophobicContact CD1-CE3 3.76Å; I146-W165 HydrophobicContact CD1-CG 3.71Å; I146-W165 HydrophobicContact CD1-CZ3 4.36Å; I146-L189 HydrophobicContact CB-CD2 4.44Å; I146-L189 HydrophobicContact CG2-CD2 3.98Å; I146-L262 HydrophobicContact CD1-CD1 3.92Å; I146-L262 HydrophobicContact CG1-CB 4.14Å; I146-L262 HydrophobicContact CG1-CD1 3.65Å
147R98.7Very high98.4Very high48 Ų4829.1 Ų29.118%0.18113%0.131CC..Hα-helixtrans-58.6-41.9177.6-71.6176.259.4-147.2-10.5111.8A143 E144 E150 Q151 F187 L189 L471A143-R147 WeakPolarHBondContact O-CG 3.22Å; A143-R147 PolarHBondContact O-N 3.06Å; E144-R147 PolarHBondContact O-N 3.25Å; R147-E150 PolarHBondContact O-N 2.89Å; R147-Q151 VanDerWaalsContact O-CG 3.28Å; R147-Q151 WeakPolarHBondContact O-CG 3.32Å; R147-Q151 PolarHBondContact O-N 3.06Å; R147-F187 WeakPolarHBondContact CD-O 3.47Å; R147-F187 PolarHBondContact NH1-O 3.2Å; R147-L189 HydrophobicContact CG-CD2 3.5Å; R147-L189 HydrophobicContact CG-CG 4.08Å; R147-L471 HydrophobicContact CB-CD2 3.75Å
148R98.6Very high98.3Very high31 Ų3132.6 Ų32.612%0.11717%0.168CC..Hα-helixtrans-65.7-43.5179.4-176.164.2176.4154.2-1.2112.2E144 R145 I146 E150 Q151 L152 P470 L471 V472 Y474 E477E144-R148 WeakPolarHBondContact O-CB 3.47Å; E144-R148 PolarHBondContact O-N 3.46Å; R145-R148 PolarHBondContact O-N 3.1Å; I146-R148 VanDerWaalsContact C-N 3.28Å; I146-R148 PolarHBondContact O-N 3.24Å; R148-E150 VanDerWaalsContact C-N 3.32Å; R148-E150 PolarHBondContact O-N 2.8Å; R148-Q151 WeakPolarHBondContact O-CB 3.43Å; R148-Q151 PolarHBondContact O-N 2.51Å; R148-L152 HydrophobicContact CG-CD1 4.02Å; R148-L152 HydrophobicContact CG-CG 4.3Å; R148-L152 WeakPolarHBondContact O-CG 3.43Å; R148-L152 PolarHBondContact O-N 3.21Å; R148-P470 WeakPolarHBondContact CB-O 3.44Å; R148-P470 WeakPolarHBondContact CD-O 3.47Å; R148-P470 WeakPolarHBondContact CG-O 3.28Å; R148-L471 WeakPolarHBondContact CD-O 3.33Å; R148-V472 PolarHBondContact NH2-O 3.2Å; R148-Y474 HydrophobicContact CB-CD2 4.44Å; R148-Y474 HydrophobicContact CG-CD2 4.44Å; R148-Y474 HydrophobicContact CG-CG 4.48Å; R148-E477 IonicContact CZ-OE1 3.07Å; R148-E477 IonicContact NE-OE1 2.66Å; R148-E477 IonicContact NH2-OE1 3.47Å
149V98.6Very high98.1Very high0 Ų035.4 Ų35.40%019%0.185CC..Hα-helixtrans-68.7-33.1-17983.60000111.9F98 I101 R145 I146 A153 V163 A263 Y474F98-V149 HydrophobicContact CE1-CG2 3.99Å; I101-V149 HydrophobicContact CD1-CG2 3.79Å; R145-V149 PolarHBondContact O-N 3.26Å; I146-V149 WeakPolarHBondContact O-CG1 3.13Å; I146-V149 PolarHBondContact O-N 3.45Å; V149-A153 VanDerWaalsContact O-CB 3.29Å; V149-A153 WeakPolarHBondContact O-CB 3.29Å; V149-A153 PolarHBondContact O-N 3.46Å; V149-V163 HydrophobicContact CG1-CG2 4.31Å; V149-A263 HydrophobicContact CG1-CB 3.93Å; V149-Y474 HydrophobicContact CB-CD2 4.47Å; V149-Y474 HydrophobicContact CB-CE2 4.23Å
150E98.5Very high97.9Very high35 Ų3546 Ų4616%0.16423%0.225CC..Hα-helixtrans-62.3-44.7169.7-70.5173.4157.400111.8I146 R147 R148 G154 C161 T162 V163I146-E150 WeakPolarHBondContact O-CG 3.13Å; I146-E150 PolarHBondContact O-N 3.42Å; R147-E150 PolarHBondContact O-N 2.89Å; R148-E150 VanDerWaalsContact C-N 3.32Å; R148-E150 PolarHBondContact O-N 2.8Å; E150-G154 PolarHBondContact O-N 2.9Å; E150-C161 PolarHBondContact O-SG 3.04Å; E150-C161 VanDerWaalsContact O-SG 3.33Å; E150-T162 VanDerWaalsContact OE1-CA 3.31Å; E150-T162 WeakPolarHBondContact OE1-CA 3.46Å; E150-V163 HydrophobicContact CG-CB 4.23Å; E150-V163 HydrophobicContact CG-CG2 3.96Å; E150-V163 PolarHBondContact OE1-N 3.27Å
151Q98.1Very high97.8Very high74 Ų7444.1 Ų44.135%0.34622%0.217SC..Hα-helixtrans-61.3-51.2176.5-73.3169.7-800111.5R147 R148 A153 G154 E155R147-Q151 VanDerWaalsContact O-CG 3.28Å; R147-Q151 WeakPolarHBondContact O-CG 3.32Å; R147-Q151 PolarHBondContact O-N 3.06Å; R148-Q151 WeakPolarHBondContact O-CB 3.43Å; R148-Q151 PolarHBondContact O-N 2.51Å; Q151-A153 PolarHBondContact O-N 3.24Å; Q151-G154 PolarHBondContact O-N 2.95Å; Q151-G154 VanDerWaalsContact O-N 3.16Å; Q151-E155 WeakPolarHBondContact O-CB 3.33Å; Q151-E155 VanDerWaalsContact O-CG 3.31Å; Q151-E155 WeakPolarHBondContact O-CG 3.4Å; Q151-E155 PolarHBondContact O-N 3.15Å
152L98.4Very high97.7Very high23 Ų2345.7 Ų45.712%0.1223%0.227CC..Hα-helixtrans-59.5-45.1-179.9-72.2173.3000112.1F98 R148 G154 R156 Y474F98-L152 HydrophobicContact CE1-CB 3.7Å; F98-L152 HydrophobicContact CE1-CD1 4.48Å; F98-L152 HydrophobicContact CZ-CB 4.03Å; F98-L152 HydrophobicContact CZ-CD1 4.26Å; R148-L152 HydrophobicContact CG-CD1 4.02Å; R148-L152 HydrophobicContact CG-CG 4.3Å; R148-L152 WeakPolarHBondContact O-CG 3.43Å; R148-L152 PolarHBondContact O-N 3.21Å; L152-G154 VanDerWaalsContact C-N 3.35Å; L152-R156 WeakPolarHBondContact O-CB 3.46Å; L152-R156 PolarHBondContact O-N 2.78Å; L152-R156 VanDerWaalsContact O-N 3.1Å; L152-Y474 HydrophobicContact CD1-CG 4.34Å
153A98.3Very high97.7Very high0 Ų045.7 Ų45.70%023%0.227CC..Hα-helixtrans-63.9-42.4176.300000111.5F98 I101 A102 V149 Q151 R156 H157F98-A153 HydrophobicContact CD1-CB 3.88Å; I101-A153 HydrophobicContact CB-CB 4Å; I101-A153 HydrophobicContact CG2-CB 3.53Å; A102-A153 HydrophobicContact CB-CB 4.45Å; V149-A153 VanDerWaalsContact O-CB 3.29Å; V149-A153 WeakPolarHBondContact O-CB 3.29Å; V149-A153 PolarHBondContact O-N 3.46Å; Q151-A153 PolarHBondContact O-N 3.24Å; A153-R156 PolarHBondContact O-N 2.67Å; A153-H157 PolarHBondContact O-CD2 2.81Å; A153-H157 PolarHBondContact O-N 3.07Å; A153-H157 VanDerWaalsContact O-N 3.11Å
154G97.8Very high97.7Very high11 Ų1146 Ų4611%0.11323%0.229CC..Hα-helixtrans-66.6-42.2-179.600000113.5E150 Q151 L152 G158 T159E150-G154 PolarHBondContact O-N 2.9Å; Q151-G154 PolarHBondContact O-N 2.95Å; Q151-G154 VanDerWaalsContact O-N 3.16Å; L152-G154 VanDerWaalsContact C-N 3.35Å; G154-G158 VanDerWaalsContact O-CA 3.3Å; G154-G158 WeakPolarHBondContact O-CA 3.48Å; G154-G158 PolarHBondContact O-N 3.27Å; G154-T159 CarbonylContact C-O 3.55Å; G154-T159 WeakPolarHBondContact CA-O 3.38Å; G154-T159 PolarHBondContact O-N 2.78Å
155E96.9Very high97.7Very high135 Ų13545.6 Ų45.663%0.63123%0.227SC*.Hα-helixtrans-61.9-44.9174.2-73.5168.1-170.300111.4Q151 H157Q151-E155 WeakPolarHBondContact O-CB 3.33Å; Q151-E155 VanDerWaalsContact O-CG 3.31Å; Q151-E155 WeakPolarHBondContact O-CG 3.4Å; Q151-E155 PolarHBondContact O-N 3.15Å; E155-H157 PolarHBondContact O-N 2.85Å
156R96.9Very high97.7Very high107 Ų10745 Ų4540%0.40423%0.225SC..Hα-helixtrans-66.2-36-178.4-170.2177.5-71.4-1536.7113.1E94 E95 F98 L152 A153E94-R156 IonicContact OE2-CZ 2.8Å; E94-R156 IonicContact OE2-NH1 3.93Å; E94-R156 PolarHBondContact OE2-NH1 2.94Å; E94-R156 IonicContact OE2-NH2 3.58Å; E94-R156 PolarHBondContact OE2-NH2 3Å; E95-R156 WeakPolarHBondContact OE2-CD 3.4Å; E95-R156 IonicContact OE2-CZ 3.98Å; E95-R156 IonicContact OE2-NE 2.71Å; E95-R156 IonicContact OE2-NH1 3.15Å; E95-R156 PolarHBondContact OE2-NH1 3.07Å; F98-R156 VanDerWaalsContact CD2-CZ 3.46Å; L152-R156 WeakPolarHBondContact O-CB 3.46Å; L152-R156 PolarHBondContact O-N 2.78Å; L152-R156 VanDerWaalsContact O-N 3.1Å; A153-R156 PolarHBondContact O-N 2.67Å
157H96.9Very high97.7Very high67 Ų6745 Ų4531%0.3123%0.225SC..Hα-helixtrans-1094.2-175.2-65.1-72.7000114.3E95 R99 A102 A153 E155 T159E95-H157 IonicContact OE1-CE1 2.78Å; E95-H157 PolarHBondContact OE1-CE1 3.09Å; E95-H157 IonicContact OE1-NE2 3.68Å; R99-H157 PolarHBondContact N-NE2 2.93Å; A102-H157 HydrophobicContact CB-CB 3.77Å; A102-H157 VanDerWaalsContact CB-CD2 3.44Å; A102-H157 WeakPolarHBondContact CB-CD2 3.45Å; A153-H157 PolarHBondContact O-CD2 2.81Å; A153-H157 PolarHBondContact O-N 3.07Å; A153-H157 VanDerWaalsContact O-N 3.11Å; E155-H157 PolarHBondContact O-N 2.85Å; H157-T159 VanDerWaalsContact C-N 3.26Å; H157-T159 HydrophobicContact CB-CG2 4.1Å; H157-T159 PolarHBondContact O-N 3.07Å
158G96.3Very high97.7Very high76 Ų7642.8 Ų42.878%0.78422%0.216SC*.THydrogen-bonded Turntrans60.632.8179.900000113.6G154G154-G158 VanDerWaalsContact O-CA 3.3Å; G154-G158 WeakPolarHBondContact O-CA 3.48Å; G154-G158 PolarHBondContact O-N 3.27Å
159T95.3Very high97.6Very high61 Ų6141.3 Ų41.337%0.37421%0.211SC..SBendtrans-130.7157.8-176.3-170.70000111.3A102 G154 H157A102-T159 HydrophobicContact CB-CG2 3.83Å; G154-T159 CarbonylContact C-O 3.55Å; G154-T159 WeakPolarHBondContact CA-O 3.38Å; G154-T159 PolarHBondContact O-N 2.78Å; H157-T159 VanDerWaalsContact C-N 3.26Å; H157-T159 HydrophobicContact CB-CG2 4.1Å; H157-T159 PolarHBondContact O-N 3.07Å
160R94.4Very high97.4Very high223 Ų22341.3 Ų41.384%0.84221%0.211SC*.  trans-90.6126.4163.7-173175.5178-177.6-1.8107.9
161C96.4Very high97Very high8 Ų844.6 Ų44.65%0.05423%0.226CC..  trans-126.4166.6176.765.10000111.3I101 N104 E150I101-C161 WeakPolarHBondContact O-CB 3.27Å; N104-C161 WeakPolarHBondContact OD1-CA 3.33Å; N104-C161 WeakPolarHBondContact OD1-CB 3.35Å; E150-C161 PolarHBondContact O-SG 3.04Å; E150-C161 VanDerWaalsContact O-SG 3.33Å
162T97Very high96.5Very high37 Ų3744.3 Ų44.323%0.22722%0.224CC..  trans-138.6137.2-176.8-58.80000108.9N104 E150 N193N104-T162 PolarHBondContact OD1-N 3.4Å; N104-T162 PolarHBondContact OD1-O 3.13Å; E150-T162 VanDerWaalsContact OE1-CA 3.31Å; E150-T162 WeakPolarHBondContact OE1-CA 3.46Å; T162-N193 HydrophobicContact CG2-CB 3.95Å; T162-N193 VanDerWaalsContact CG2-CG 3.44Å; T162-N193 WeakPolarHBondContact CG2-ND2 3.44Å
163V98.7Very high96.3Very high2 Ų243.2 Ų43.21%0.01222%0.218CC..  trans-112.199169.4177.80000107.9I101 V108 I146 V149 E150 W165 A263I101-V163 HydrophobicContact CG2-CG2 3.71Å; V108-V163 HydrophobicContact CG1-CG1 3.97Å; V108-V163 HydrophobicContact CG2-CG1 4.18Å; I146-V163 HydrophobicContact CG2-CB 4.1Å; I146-V163 HydrophobicContact CG2-CG1 4.45Å; V149-V163 HydrophobicContact CG1-CG2 4.31Å; E150-V163 HydrophobicContact CG-CB 4.23Å; E150-V163 HydrophobicContact CG-CG2 3.96Å; E150-V163 PolarHBondContact OE1-N 3.27Å; V163-W165 PolarHBondContact O-N 3.45Å; V163-A263 HydrophobicContact CG1-CB 4.04Å; V163-A263 HydrophobicContact CG2-CB 4.45Å
164P98.8Very high96.2Very high6 Ų645.4 Ų45.44%0.03923%0.23CC..  trans-58.3137.2177.6-24.334.7000111.6V106 A107 V108 Y166 V247V106-P164 WeakPolarHBondContact O-CD 3.16Å; A107-P164 WeakPolarHBondContact CA-O 3.47Å; A107-P164 HydrophobicContact CB-CB 4.27Å; A107-P164 WeakPolarHBondContact CB-O 3.35Å; V108-P164 PolarHBondContact N-O 3.09Å; P164-Y166 HydrophobicContact CB-CD2 4.49Å; P164-Y166 HydrophobicContact CB-CE2 3.84Å; P164-V247 HydrophobicContact CG-CG2 4.2Å
165W98.9Very high96.2Very high1 Ų147 Ų470%0.00425%0.247CC..EExtended strand (participates in β ladder)trans-108103.5177.8-167.59.1000110.5V108 L110 Y139 Q142 A143 I146 V163 V167 F181 L189 N193 V194 V195 Y253V108-W165 HydrophobicContact CG2-CB 4.08Å; V108-W165 HydrophobicContact CG2-CG 3.94Å; L110-W165 HydrophobicContact CD2-CZ2 3.7Å; Y139-W165 HydrophobicContact CD1-CH2 4.15Å; Y139-W165 HydrophobicContact CD1-CZ2 4.35Å; Q142-W165 HydrophobicContact CB-CH2 3.98Å; Q142-W165 HydrophobicContact CB-CZ2 3.97Å; A143-W165 HydrophobicContact CB-CH2 4.35Å; A143-W165 HydrophobicContact CB-CZ3 3.84Å; I146-W165 HydrophobicContact CD1-CB 4.03Å; I146-W165 HydrophobicContact CD1-CD2 3.54Å; I146-W165 HydrophobicContact CD1-CE3 3.76Å; I146-W165 HydrophobicContact CD1-CG 3.71Å; I146-W165 HydrophobicContact CD1-CZ3 4.36Å; V163-W165 PolarHBondContact O-N 3.45Å; W165-V167 HydrophobicContact CD2-CG2 4Å; W165-V167 HydrophobicContact CG-CG2 4.02Å; W165-F181 AromaticContact CE3-CE1 3.93Å; W165-F181 HydrophobicContact CE3-CE1 3.93Å; W165-F181 HydrophobicContact CE3-CZ 4.35Å; W165-F181 HydrophobicContact CH2-CE1 4.03Å; W165-F181 AromaticContact CH2-CZ 3.68Å; W165-F181 HydrophobicContact CH2-CZ 3.68Å; W165-F181 HydrophobicContact CZ2-CZ 4.43Å; W165-F181 AromaticContact CZ3-CE1 3.44Å; W165-F181 HydrophobicContact CZ3-CE1 3.44Å; W165-F181 VanDerWaalsContact CZ3-CE1 3.44Å; W165-F181 AromaticContact CZ3-CZ 3.61Å; W165-F181 HydrophobicContact CZ3-CZ 3.61Å; W165-L189 HydrophobicContact CE3-CD1 3.67Å; W165-L189 HydrophobicContact CZ3-CD1 3.96Å; W165-N193 PolarHBondContact N-O 3.4Å; W165-V194 HydrophobicContact CE3-CG2 4.41Å; W165-V194 CarbonylContact O-C 3.58Å; W165-V194 WeakPolarHBondContact O-CA 3.4Å; W165-V195 PolarHBondContact O-N 3.47Å; W165-Y253 WeakPolarHBondContact CZ2-OH 3.49Å; W165-Y253 PolarHBondContact NE1-OH 3.5Å; W165-Y253 VanDerWaalsContact NE1-OH 3.08Å
166Y98.9Very high96.2Very high0 Ų043.2 Ų43.20%023%0.234CC..EExtended strand (participates in β ladder)trans-87.2122.7172.9-62-83.4000109A107 V108 L109 L110 P164 V195 I238 D241 M242A107-Y166 HydrophobicContact CB-CD2 3.94Å; A107-Y166 HydrophobicContact CB-CE2 3.64Å; V108-Y166 PolarHBondContact O-N 2.86Å; L109-Y166 CarbonylContact C-O 3.45Å; L109-Y166 VanDerWaalsContact CA-O 3.31Å; L109-Y166 WeakPolarHBondContact CA-O 3.24Å; L110-Y166 PolarHBondContact N-O 2.85Å; P164-Y166 HydrophobicContact CB-CD2 4.49Å; P164-Y166 HydrophobicContact CB-CE2 3.84Å; Y166-V195 CarbonylContact C-O 3.31Å; Y166-V195 WeakPolarHBondContact CA-O 3.39Å; Y166-V195 HydrophobicContact CD1-CB 3.68Å; Y166-V195 HydrophobicContact CD1-CG1 3.97Å; Y166-V195 HydrophobicContact CD1-CG2 4.26Å; Y166-V195 HydrophobicContact CE1-CB 3.96Å; Y166-V195 HydrophobicContact CE1-CG1 4.18Å; Y166-V195 HydrophobicContact CE1-CG2 4.05Å; Y166-I238 HydrophobicContact CD1-CD1 4.43Å; Y166-I238 HydrophobicContact CD1-CG2 3.58Å; Y166-I238 HydrophobicContact CE1-CG2 3.76Å; Y166-I238 HydrophobicContact CG-CG2 4.2Å; Y166-D241 HydrophobicContact CE1-CB 4.29Å; Y166-D241 PolarHBondContact OH-OD2 3.05Å; Y166-M242 HydrophobicContact CD2-CE 3.64Å; Y166-M242 HydrophobicContact CE1-CG 4.41Å; Y166-M242 HydrophobicContact CE2-CE 3.68Å; Y166-M242 HydrophobicContact CE2-CG 3.72Å; Y166-M242 HydrophobicContact CG-CE 4.09Å; Y166-M242 WeakPolarHBondContact OH-CG 3.37Å; Y166-M242 PolarHBondContact OH-N 3.45Å
167V98.8Very high96.2Very high0 Ų038.1 Ų38.10%021%0.214CC..EExtended strand (participates in β ladder)trans-115.8102.7-176.8-177.30000108.9L110 A112 W165 T169 V194 V195 M196 F197L110-V167 HydrophobicContact CB-CG2 4.47Å; L110-V167 HydrophobicContact CD2-CG1 4.03Å; L110-V167 HydrophobicContact CD2-CG2 4.36Å; L110-V167 HydrophobicContact CG-CG1 4.41Å; A112-V167 HydrophobicContact CB-CG1 4.11Å; W165-V167 HydrophobicContact CD2-CG2 4Å; W165-V167 HydrophobicContact CG-CG2 4.02Å; V167-T169 HydrophobicContact CG1-CG2 4Å; V167-T169 PolarHBondContact O-N 3.41Å; V167-V194 HydrophobicContact CG2-CG1 4.38Å; V167-V195 PolarHBondContact N-O 2.97Å; V167-M196 HydrophobicContact CB-CG 4.17Å; V167-M196 WeakPolarHBondContact O-CA 3.33Å; V167-F197 PolarHBondContact O-N 3.34Å
168M98.6Very high96.3Very high1 Ų136.9 Ų36.91%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-79119.6174.6-169.1-178.679.400109.7L110 L111 A112 G113 F197 Q199 L229 A232L110-M168 WeakPolarHBondContact O-CB 3.45Å; L110-M168 PolarHBondContact O-N 3.11Å; L111-M168 HydrophobicContact CD2-CE 3.61Å; L111-M168 HydrophobicContact CD2-SD 4.31Å; A112-M168 CarbonylContact C-O 3.53Å; A112-M168 VanDerWaalsContact C-O 3.31Å; A112-M168 VanDerWaalsContact CA-O 3.32Å; A112-M168 WeakPolarHBondContact CA-O 3.48Å; A112-M168 PolarHBondContact N-O 2.9Å; G113-M168 PolarHBondContact N-O 3.49Å; G113-M168 VanDerWaalsContact N-O 3.15Å; M168-F197 CarbonylContact C-O 3.23Å; M168-F197 WeakPolarHBondContact CA-O 3.45Å; M168-F197 HydrophobicContact CB-CE1 3.94Å; M168-F197 HydrophobicContact CB-CE2 3.95Å; M168-F197 HydrophobicContact CB-CZ 3.56Å; M168-F197 HydrophobicContact CG-CD2 4.29Å; M168-F197 HydrophobicContact CG-CE2 3.71Å; M168-F197 HydrophobicContact CG-CZ 3.87Å; M168-F197 HydrophobicContact SD-CE2 4.24Å; M168-F197 HydrophobicContact SD-CZ 4.47Å; M168-Q199 HydrophobicContact CE-CB 4.29Å; M168-Q199 HydrophobicContact CG-CB 4.11Å; M168-Q199 HydrophobicContact SD-CB 3.96Å; M168-L229 HydrophobicContact CE-CB 4.38Å; M168-L229 WeakPolarHBondContact SD-CA 3.42Å; M168-L229 HydrophobicContact SD-CB 3.78Å; M168-L229 HydrophobicContact SD-CD1 3.69Å; M168-L229 HydrophobicContact SD-CG 4.38Å; M168-A232 HydrophobicContact SD-CB 4.43Å
169T97.7Very high96.4Very high0 Ų038 Ų380%020%0.2CC..EExtended strand (participates in β ladder)trans-113.7-173.5-179.461.90000110.3V167 L174 F197 Q199V167-T169 HydrophobicContact CG1-CG2 4Å; V167-T169 PolarHBondContact O-N 3.41Å; T169-L174 HydrophobicContact CG2-CD1 4.31Å; T169-L174 WeakPolarHBondContact OG1-CB 3.49Å; T169-L174 WeakPolarHBondContact OG1-CD1 3.31Å; T169-F197 PolarHBondContact N-O 3.34Å; T169-F197 PolarHBondContact OG1-O 3.24Å; T169-Q199 WeakPolarHBondContact O-CG 3.44Å; T169-Q199 PolarHBondContact O-N 3.08Å; T169-Q199 PolarHBondContact O-NE2 3.35Å
170S93.6Very high96.6Very high0 Ų036.1 Ų36.10%019%0.187CC..  trans-125.5167.9165.9570000108.5G113 F172 T173 L174G113-S170 WeakPolarHBondContact O-CB 3.18Å; G113-S170 PolarHBondContact O-OG 3.37Å; S170-F172 PolarHBondContact O-N 3.22Å; S170-T173 PolarHBondContact N-OG1 2.77Å; S170-T173 PolarHBondContact O-N 3.44Å; S170-T173 PolarHBondContact O-OG1 2.65Å; S170-T173 PolarHBondContact OG-OG1 3.07Å; S170-L174 PolarHBondContact O-N 3.3Å
171E89.6Confident96.8Very high104 Ų10425.5 Ų25.549%0.48615%0.147SC..THydrogen-bonded Turntrans-46.8-37.7172.6-170.5-176.2138.900112.4T173 E198 L201E171-T173 VanDerWaalsContact C-N 3.31Å; E171-T173 PolarHBondContact O-N 3.46Å; E171-E198 VanDerWaalsContact CA-OE1 3.27Å; E171-E198 WeakPolarHBondContact CA-OE1 3.3Å; E171-L201 HydrophobicContact CB-CD1 3.83Å; E171-L201 HydrophobicContact CB-CG 4.49Å; E171-L201 WeakPolarHBondContact OE2-CD1 3.19Å
172F87.6Confident96.9Very high68 Ų6832.2 Ų32.230%0.29817%0.171SC..THydrogen-bonded Turntrans-77.2-13.6-178.4-49.8-68.3000114.7Q115 S170 L201 M221Q115-F172 HydrophobicContact CG-CB 4.12Å; S170-F172 PolarHBondContact O-N 3.22Å; F172-L201 HydrophobicContact CE2-CD1 4.15Å; F172-L201 HydrophobicContact CE2-CD2 4.01Å; F172-L201 HydrophobicContact CZ-CD1 4.23Å; F172-M221 HydrophobicContact CZ-CB 4.45Å
173T94.3Very high96.9Very high0 Ų036 Ų360%019%0.186CC..THydrogen-bonded Turntrans-124.2-19.9-170.356.30000113.6Q115 P124 S170 E171 T177Q115-T173 HydrophobicContact CG-CG2 3.88Å; P124-T173 HydrophobicContact CB-CG2 4.19Å; P124-T173 HydrophobicContact CG-CG2 3.93Å; S170-T173 PolarHBondContact N-OG1 2.77Å; S170-T173 PolarHBondContact O-N 3.44Å; S170-T173 PolarHBondContact O-OG1 2.65Å; S170-T173 PolarHBondContact OG-OG1 3.07Å; E171-T173 VanDerWaalsContact C-N 3.31Å; E171-T173 PolarHBondContact O-N 3.46Å; T173-T177 WeakPolarHBondContact O-CB 3.35Å; T173-T177 PolarHBondContact O-N 2.85Å; T173-T177 PolarHBondContact O-OG1 3.17Å
174L96.4Very high96.9Very high47 Ų4738.7 Ų38.725%0.24620%0.199CC..Hα-helixtrans-58.2-59.8-179.5178.464.6000111.7T169 S170 T177 A178 M196 E198T169-L174 HydrophobicContact CG2-CD1 4.31Å; T169-L174 WeakPolarHBondContact OG1-CB 3.49Å; T169-L174 WeakPolarHBondContact OG1-CD1 3.31Å; S170-L174 PolarHBondContact O-N 3.3Å; L174-T177 PolarHBondContact O-N 2.91Å; L174-T177 VanDerWaalsContact O-N 3.13Å; L174-A178 WeakPolarHBondContact O-CB 3.47Å; L174-A178 PolarHBondContact O-N 3.25Å; L174-M196 HydrophobicContact CD1-CB 3.79Å; L174-M196 HydrophobicContact CD1-SD 4.46Å; L174-E198 HydrophobicContact CB-CG 3.94Å; L174-E198 WeakPolarHBondContact CB-OE1 3.32Å; L174-E198 HydrophobicContact CD2-CG 3.67Å; L174-E198 WeakPolarHBondContact CD2-OE1 3.39Å; L174-E198 HydrophobicContact CG-CG 4.22Å
175G97.4Very high96.9Very high45 Ų4543.2 Ų43.246%0.46422%0.222SC..Hα-helixtrans-53.8-56.8-176.300000113T177 A178 E179G175-T177 VanDerWaalsContact C-N 3.3Å; G175-T177 PolarHBondContact O-N 2.82Å; G175-A178 PolarHBondContact O-N 3.4Å; G175-E179 PolarHBondContact O-N 2.72Å
176P97.2Very high96.9Very high55 Ų5545.2 Ų45.236%0.35723%0.231SC..Hα-helixtrans-57.5-40.6176.2-26.435000113.1P124 M127 F180P124-P176 HydrophobicContact CG-CB 3.98Å; M127-P176 HydrophobicContact CE-CB 3.84Å; M127-P176 WeakPolarHBondContact CE-O 3.4Å; P176-F180 VanDerWaalsContact O-CB 3.31Å; P176-F180 WeakPolarHBondContact O-CB 3.45Å; P176-F180 PolarHBondContact O-N 2.66Å
177T98.2Very high96.9Very high0 Ų045.5 Ų45.50%023%0.233CC..Hα-helixtrans-65.5-46.4-179.6-57.80000111.4Y139 T173 L174 G175 E179 F180 F181 M196Y139-T177 HydrophobicContact CE2-CG2 4.08Å; T173-T177 WeakPolarHBondContact O-CB 3.35Å; T173-T177 PolarHBondContact O-N 2.85Å; T173-T177 PolarHBondContact O-OG1 3.17Å; L174-T177 PolarHBondContact O-N 2.91Å; L174-T177 VanDerWaalsContact O-N 3.13Å; G175-T177 VanDerWaalsContact C-N 3.3Å; G175-T177 PolarHBondContact O-N 2.82Å; T177-E179 VanDerWaalsContact C-N 3.35Å; T177-E179 PolarHBondContact O-N 3.47Å; T177-F180 PolarHBondContact O-N 3.04Å; T177-F181 HydrophobicContact CG2-CD2 3.93Å; T177-F181 HydrophobicContact CG2-CE2 3.8Å; T177-F181 VanDerWaalsContact O-CD2 3.25Å; T177-F181 WeakPolarHBondContact O-CD2 3.17Å; T177-F181 PolarHBondContact O-N 2.84Å; T177-M196 HydrophobicContact CG2-CE 4.05Å; T177-M196 HydrophobicContact CG2-SD 4.14Å
178A98.4Very high96.8Very high40 Ų4051.6 Ų51.633%0.33126%0.261SS..Hα-helixtrans-61.7-42.8178.100000111.9L174 G175 R182 M196L174-A178 WeakPolarHBondContact O-CB 3.47Å; L174-A178 PolarHBondContact O-N 3.25Å; G175-A178 PolarHBondContact O-N 3.4Å; A178-R182 WeakPolarHBondContact O-CB 3.2Å; A178-R182 PolarHBondContact O-N 3.47Å; A178-M196 HydrophobicContact CB-SD 3.92Å
179E98.5Very high96.8Very high99 Ų9952.3 Ų52.346%0.46326%0.264SS..Hα-helixtrans-61.2-49.5174.8176.1158.9-128.700111.7G175 T177 F181 R182 E183G175-E179 PolarHBondContact O-N 2.72Å; T177-E179 VanDerWaalsContact C-N 3.35Å; T177-E179 PolarHBondContact O-N 3.47Å; E179-F181 VanDerWaalsContact C-N 3.34Å; E179-F181 PolarHBondContact O-N 2.88Å; E179-R182 WeakPolarHBondContact O-CB 3.3Å; E179-R182 PolarHBondContact O-N 3.45Å; E179-R182 VanDerWaalsContact O-N 3.13Å; E179-R182 IonicContact OE1-NH2 3.47Å; E179-R182 PolarHBondContact OE1-NH2 2.93Å; E179-E183 HydrophobicContact CG-CG 4.33Å; E179-E183 WeakPolarHBondContact O-CG 3.35Å; E179-E183 PolarHBondContact O-N 3.02Å
180F98.5Very high96.8Very high23 Ų2356.2 Ų56.210%0.10129%0.285CS..Hα-helixtrans-60.3-42.1-179.4-174.3-104.1000112.7M127 T137 Y139 P176 T177 E183 H184 F187M127-F180 HydrophobicContact CB-CE1 4.41Å; M127-F180 HydrophobicContact CB-CE2 4.42Å; M127-F180 HydrophobicContact CB-CZ 4.36Å; M127-F180 HydrophobicContact CE-CB 3.53Å; M127-F180 HydrophobicContact CE-CG 4Å; M127-F180 HydrophobicContact CG-CB 4.38Å; M127-F180 HydrophobicContact CG-CD1 3.82Å; M127-F180 HydrophobicContact CG-CD2 4.09Å; M127-F180 HydrophobicContact CG-CE1 4.08Å; M127-F180 HydrophobicContact CG-CE2 4.35Å; M127-F180 HydrophobicContact CG-CG 3.84Å; M127-F180 HydrophobicContact CG-CZ 4.38Å; M127-F180 HydrophobicContact SD-CB 4.08Å; M127-F180 HydrophobicContact SD-CD2 4.04Å; M127-F180 HydrophobicContact SD-CG 3.98Å; T137-F180 HydrophobicContact CG2-CE1 4.34Å; T137-F180 HydrophobicContact CG2-CZ 3.71Å; Y139-F180 AromaticContact CD2-CD1 3.93Å; Y139-F180 HydrophobicContact CD2-CD1 3.93Å; Y139-F180 HydrophobicContact CD2-CE1 4.03Å; P176-F180 VanDerWaalsContact O-CB 3.31Å; P176-F180 WeakPolarHBondContact O-CB 3.45Å; P176-F180 PolarHBondContact O-N 2.66Å; T177-F180 PolarHBondContact O-N 3.04Å; F180-E183 PolarHBondContact O-N 3.11Å; F180-H184 AromaticContact CD2-CE1 3.62Å; F180-H184 AromaticContact CD2-ND1 3.84Å; F180-H184 AromaticContact CE2-CE1 3.17Å; F180-H184 WeakPolarHBondContact CE2-CE1 3.34Å; F180-H184 AromaticContact CE2-ND1 3.72Å; F180-H184 AromaticContact CE2-NE2 3.87Å; F180-H184 AromaticContact CZ-CE1 3.54Å; F180-H184 AromaticContact CZ-ND1 3.89Å; F180-H184 AromaticContact CZ-NE2 3.91Å; F180-H184 PolarHBondContact O-N 2.6Å; F180-H184 VanDerWaalsContact O-N 3.16Å; F180-H184 PolarHBondContact O-ND1 2.97Å; F180-F187 AromaticContact CD1-CZ 3.98Å; F180-F187 HydrophobicContact CD1-CZ 3.98Å; F180-F187 HydrophobicContact CE1-CE1 4.3Å; F180-F187 AromaticContact CE1-CZ 3.58Å; F180-F187 HydrophobicContact CE1-CZ 3.58Å; F180-F187 HydrophobicContact CZ-CZ 4.44Å
181F98.8Very high97Very high0 Ų059.3 Ų59.30%031%0.305CS..Hα-helixtrans-63.7-43.8175.2-88-119.3000111.4Y139 W165 T177 E179 H184 N185 F186 F187 V194 M196Y139-F181 AromaticContact CD1-CE2 3.66Å; Y139-F181 HydrophobicContact CD1-CE2 3.66Å; Y139-F181 AromaticContact CD1-CZ 3.74Å; Y139-F181 HydrophobicContact CD1-CZ 3.74Å; Y139-F181 AromaticContact CD2-CE2 3.76Å; Y139-F181 HydrophobicContact CD2-CE2 3.76Å; Y139-F181 AromaticContact CE1-CE2 3.9Å; Y139-F181 HydrophobicContact CE1-CE2 3.9Å; Y139-F181 HydrophobicContact CE1-CZ 4.14Å; Y139-F181 HydrophobicContact CE2-CE2 4.02Å; Y139-F181 AromaticContact CG-CE2 3.6Å; Y139-F181 HydrophobicContact CG-CE2 3.6Å; Y139-F181 HydrophobicContact CG-CZ 4.01Å; W165-F181 AromaticContact CE3-CE1 3.93Å; W165-F181 HydrophobicContact CE3-CE1 3.93Å; W165-F181 HydrophobicContact CE3-CZ 4.35Å; W165-F181 HydrophobicContact CH2-CE1 4.03Å; W165-F181 AromaticContact CH2-CZ 3.68Å; W165-F181 HydrophobicContact CH2-CZ 3.68Å; W165-F181 HydrophobicContact CZ2-CZ 4.43Å; W165-F181 AromaticContact CZ3-CE1 3.44Å; W165-F181 HydrophobicContact CZ3-CE1 3.44Å; W165-F181 VanDerWaalsContact CZ3-CE1 3.44Å; W165-F181 AromaticContact CZ3-CZ 3.61Å; W165-F181 HydrophobicContact CZ3-CZ 3.61Å; T177-F181 HydrophobicContact CG2-CD2 3.93Å; T177-F181 HydrophobicContact CG2-CE2 3.8Å; T177-F181 VanDerWaalsContact O-CD2 3.25Å; T177-F181 WeakPolarHBondContact O-CD2 3.17Å; T177-F181 PolarHBondContact O-N 2.84Å; E179-F181 VanDerWaalsContact C-N 3.34Å; E179-F181 PolarHBondContact O-N 2.88Å; F181-H184 CarbonylContact O-C 3.57Å; F181-H184 PolarHBondContact O-N 3.38Å; F181-N185 PolarHBondContact O-N 3.14Å; F181-F186 HydrophobicContact CB-CD1 4.12Å; F181-F186 HydrophobicContact CB-CE1 4.2Å; F181-F186 AromaticContact CD1-CD1 4Å; F181-F186 HydrophobicContact CD1-CD1 4Å; F181-F186 WeakPolarHBondContact O-CA 3.31Å; F181-F186 PolarHBondContact O-N 3.22Å; F181-F187 HydrophobicContact CD1-CD2 4.32Å; F181-F187 HydrophobicContact CD1-CE2 4.06Å; F181-F187 HydrophobicContact CD2-CE2 4.05Å; F181-F187 HydrophobicContact CE1-CD2 4.28Å; F181-F187 HydrophobicContact CE1-CE2 4.08Å; F181-F187 HydrophobicContact CE2-CE2 4.07Å; F181-F187 HydrophobicContact CG-CE2 4.06Å; F181-F187 HydrophobicContact CZ-CE2 4.09Å; F181-V194 HydrophobicContact CD1-CG1 4.02Å; F181-V194 HydrophobicContact CE1-CG1 3.88Å; F181-M196 HydrophobicContact CB-CE 3.81Å; F181-M196 HydrophobicContact CD1-CE 3.71Å; F181-M196 HydrophobicContact CD2-CE 3.79Å; F181-M196 HydrophobicContact CE1-CE 4.17Å; F181-M196 HydrophobicContact CE2-CE 4.24Å; F181-M196 HydrophobicContact CG-CE 3.49Å; F181-M196 VanDerWaalsContact CG-CE 3.49Å; F181-M196 HydrophobicContact CZ-CE 4.41Å
182R98.6Very high97.4Very high148 Ų14857.2 Ų57.256%0.55831%0.306SS*.Hα-helixtrans-61.3-44.9177.1-179.3-175.358.573.33111.7A178 E179 H184 N185A178-R182 WeakPolarHBondContact O-CB 3.2Å; A178-R182 PolarHBondContact O-N 3.47Å; E179-R182 WeakPolarHBondContact O-CB 3.3Å; E179-R182 PolarHBondContact O-N 3.45Å; E179-R182 VanDerWaalsContact O-N 3.13Å; E179-R182 IonicContact OE1-NH2 3.47Å; E179-R182 PolarHBondContact OE1-NH2 2.93Å; R182-H184 PolarHBondContact O-N 3.1Å; R182-N185 PolarHBondContact O-N 3.48Å; R182-N185 VanDerWaalsContact O-N 3.12Å
183E98.4Very high97.9Very high116 Ų11655.2 Ų55.254%0.54230%0.298SS..Hα-helixtrans-60.9-31.3177.8-73.5179.3166.100112.9E179 F180E179-E183 HydrophobicContact CG-CG 4.33Å; E179-E183 WeakPolarHBondContact O-CG 3.35Å; E179-E183 PolarHBondContact O-N 3.02Å; F180-E183 PolarHBondContact O-N 3.11Å
184H98.6Very high98.1Very high60 Ų6055.9 Ų55.928%0.27830%0.302SS..THydrogen-bonded Turntrans-99.319.5178.3-63.875000112.8F180 F181 R182 F186 F187F180-H184 AromaticContact CD2-CE1 3.62Å; F180-H184 AromaticContact CD2-ND1 3.84Å; F180-H184 AromaticContact CE2-CE1 3.17Å; F180-H184 WeakPolarHBondContact CE2-CE1 3.34Å; F180-H184 AromaticContact CE2-ND1 3.72Å; F180-H184 AromaticContact CE2-NE2 3.87Å; F180-H184 AromaticContact CZ-CE1 3.54Å; F180-H184 AromaticContact CZ-ND1 3.89Å; F180-H184 AromaticContact CZ-NE2 3.91Å; F180-H184 PolarHBondContact O-N 2.6Å; F180-H184 VanDerWaalsContact O-N 3.16Å; F180-H184 PolarHBondContact O-ND1 2.97Å; F181-H184 CarbonylContact O-C 3.57Å; F181-H184 PolarHBondContact O-N 3.38Å; R182-H184 PolarHBondContact O-N 3.1Å; H184-F186 PolarHBondContact O-N 3.15Å; H184-F186 VanDerWaalsContact O-N 3.16Å; H184-F187 HydrophobicContact CB-CD1 3.79Å; H184-F187 HydrophobicContact CB-CE1 3.36Å; H184-F187 HydrophobicContact CB-CZ 3.78Å; H184-F187 AromaticContact CD2-CE1 3.92Å; H184-F187 AromaticContact CG-CE1 3.66Å; H184-F187 WeakPolarHBondContact O-CA 3.33Å; H184-F187 PolarHBondContact O-N 3.39Å
185N98.4Very high98.2Very high100 Ų10055.1 Ų55.154%0.53530%0.299SS..G310 helixtrans49.243.1179.9-171.144.4000113F181 R182 F187 H188F181-N185 PolarHBondContact O-N 3.14Å; R182-N185 PolarHBondContact O-N 3.48Å; R182-N185 VanDerWaalsContact O-N 3.12Å; N185-F187 PolarHBondContact O-N 3.34Å; N185-H188 PolarHBondContact O-N 2.87Å
186F98.4Very high98.3Very high43 Ų4355 Ų5519%0.18929%0.287CS..G310 helixtrans52.426.9-176.7-66.5-102.2000113.6F181 H184 H188 L189 P191 V194F181-F186 HydrophobicContact CB-CD1 4.12Å; F181-F186 HydrophobicContact CB-CE1 4.2Å; F181-F186 AromaticContact CD1-CD1 4Å; F181-F186 HydrophobicContact CD1-CD1 4Å; F181-F186 WeakPolarHBondContact O-CA 3.31Å; F181-F186 PolarHBondContact O-N 3.22Å; H184-F186 PolarHBondContact O-N 3.15Å; H184-F186 VanDerWaalsContact O-N 3.16Å; F186-H188 PolarHBondContact O-N 2.89Å; F186-H188 VanDerWaalsContact O-N 3.14Å; F186-L189 WeakPolarHBondContact O-CB 3.43Å; F186-L189 PolarHBondContact O-N 3.39Å; F186-P191 HydrophobicContact CB-CG 4.45Å; F186-P191 HydrophobicContact CD1-CB 4.13Å; F186-P191 HydrophobicContact CD1-CG 4.45Å; F186-P191 HydrophobicContact CD2-CB 3.96Å; F186-P191 HydrophobicContact CD2-CG 3.59Å; F186-P191 HydrophobicContact CE1-CB 4.04Å; F186-P191 HydrophobicContact CE2-CB 3.86Å; F186-P191 HydrophobicContact CE2-CG 3.87Å; F186-P191 HydrophobicContact CG-CB 4.1Å; F186-P191 HydrophobicContact CG-CG 3.92Å; F186-P191 HydrophobicContact CZ-CB 3.9Å; F186-P191 HydrophobicContact CZ-CG 4.41Å; F186-V194 HydrophobicContact CD1-CB 4.08Å; F186-V194 HydrophobicContact CD1-CG1 4.38Å; F186-V194 HydrophobicContact CD1-CG2 4.17Å; F186-V194 HydrophobicContact CE1-CB 4.42Å
187F98.3Very high98.3Very high7 Ų752.6 Ų52.63%0.03127%0.271CS..G310 helixtrans52.632.3-174.1-47.2-75.4000112.9Q140 A143 R147 F180 F181 H184 N185 L189Q140-F187 HydrophobicContact CB-CD1 3.74Å; Q140-F187 HydrophobicContact CB-CE1 3.77Å; Q140-F187 HydrophobicContact CB-CG 4.49Å; Q140-F187 HydrophobicContact CG-CD1 3.78Å; Q140-F187 HydrophobicContact CG-CE1 4.24Å; A143-F187 HydrophobicContact CB-CB 3.47Å; A143-F187 VanDerWaalsContact CB-CB 3.47Å; A143-F187 HydrophobicContact CB-CD2 3.78Å; A143-F187 HydrophobicContact CB-CG 3.85Å; R147-F187 WeakPolarHBondContact CD-O 3.47Å; R147-F187 PolarHBondContact NH1-O 3.2Å; F180-F187 AromaticContact CD1-CZ 3.98Å; F180-F187 HydrophobicContact CD1-CZ 3.98Å; F180-F187 HydrophobicContact CE1-CE1 4.3Å; F180-F187 AromaticContact CE1-CZ 3.58Å; F180-F187 HydrophobicContact CE1-CZ 3.58Å; F180-F187 HydrophobicContact CZ-CZ 4.44Å; F181-F187 HydrophobicContact CD1-CD2 4.32Å; F181-F187 HydrophobicContact CD1-CE2 4.06Å; F181-F187 HydrophobicContact CD2-CE2 4.05Å; F181-F187 HydrophobicContact CE1-CD2 4.28Å; F181-F187 HydrophobicContact CE1-CE2 4.08Å; F181-F187 HydrophobicContact CE2-CE2 4.07Å; F181-F187 HydrophobicContact CG-CE2 4.06Å; F181-F187 HydrophobicContact CZ-CE2 4.09Å; H184-F187 HydrophobicContact CB-CD1 3.79Å; H184-F187 HydrophobicContact CB-CE1 3.36Å; H184-F187 HydrophobicContact CB-CZ 3.78Å; H184-F187 AromaticContact CD2-CE1 3.92Å; H184-F187 AromaticContact CG-CE1 3.66Å; H184-F187 WeakPolarHBondContact O-CA 3.33Å; H184-F187 PolarHBondContact O-N 3.39Å; N185-F187 PolarHBondContact O-N 3.34Å; F187-L189 PolarHBondContact O-N 3.38Å
188H97.5Very high98.3Very high128 Ų12855.5 Ų55.559%0.59329%0.285SS*.G310 helixtrans6617.6-176.3-45.2-82.2000115.3N185 F186N185-H188 PolarHBondContact O-N 2.87Å; F186-H188 PolarHBondContact O-N 2.89Å; F186-H188 VanDerWaalsContact O-N 3.14Å
189L98.1Very high98.1Very high16 Ų1654.2 Ų54.28%0.08427%0.272CS..SBendtrans-74.9154.1159.4-68.1166.3000109.8A143 I146 R147 W165 F186 F187 P191 V194A143-L189 HydrophobicContact CB-CD1 3.79Å; A143-L189 HydrophobicContact CB-CG 4.47Å; I146-L189 HydrophobicContact CB-CD2 4.44Å; I146-L189 HydrophobicContact CG2-CD2 3.98Å; R147-L189 HydrophobicContact CG-CD2 3.5Å; R147-L189 HydrophobicContact CG-CG 4.08Å; W165-L189 HydrophobicContact CE3-CD1 3.67Å; W165-L189 HydrophobicContact CZ3-CD1 3.96Å; F186-L189 WeakPolarHBondContact O-CB 3.43Å; F186-L189 PolarHBondContact O-N 3.39Å; F187-L189 PolarHBondContact O-N 3.38Å; L189-P191 WeakPolarHBondContact O-CD 3.33Å; L189-V194 HydrophobicContact CB-CG2 4.11Å; L189-V194 HydrophobicContact CD1-CG2 4.1Å
190D97.7Very high97.8Very high82 Ų8255 Ų5544%0.43927%0.27SS..  trans-67.5120.7168.9-179.5-12.1000109.2A192 N193D190-A192 PolarHBondContact O-N 3.25Å; D190-A192 VanDerWaalsContact O-N 3.1Å; D190-A192 WeakPolarHBondContact OD1-CB 3.42Å; D190-A192 PolarHBondContact OD1-N 2.99Å; D190-N193 WeakPolarHBondContact CB-ND2 3.21Å; D190-N193 PolarHBondContact O-N 2.7Å; D190-N193 PolarHBondContact OD2-ND2 3.14Å
191P98Very high97.5Very high64 Ų6455.3 Ų55.342%0.41627%0.273SS..G310 helixtrans-55-29.5179.3-2534000113.5F186 L189 N193 V194F186-P191 HydrophobicContact CB-CG 4.45Å; F186-P191 HydrophobicContact CD1-CB 4.13Å; F186-P191 HydrophobicContact CD1-CG 4.45Å; F186-P191 HydrophobicContact CD2-CB 3.96Å; F186-P191 HydrophobicContact CD2-CG 3.59Å; F186-P191 HydrophobicContact CE1-CB 4.04Å; F186-P191 HydrophobicContact CE2-CB 3.86Å; F186-P191 HydrophobicContact CE2-CG 3.87Å; F186-P191 HydrophobicContact CG-CB 4.1Å; F186-P191 HydrophobicContact CG-CG 3.92Å; F186-P191 HydrophobicContact CZ-CB 3.9Å; F186-P191 HydrophobicContact CZ-CG 4.41Å; L189-P191 WeakPolarHBondContact O-CD 3.33Å; P191-N193 PolarHBondContact O-N 2.92Å; P191-V194 PolarHBondContact O-N 3.35Å
192A97.8Very high97.2Very high60 Ų6058 Ų5850%0.49629%0.287SS..G310 helixtrans-67.9-13.6177.200000113.4D190 R245D190-A192 PolarHBondContact O-N 3.25Å; D190-A192 VanDerWaalsContact O-N 3.1Å; D190-A192 WeakPolarHBondContact OD1-CB 3.42Å; D190-A192 PolarHBondContact OD1-N 2.99Å; A192-R245 PolarHBondContact O-NH1 2.87Å; A192-R245 PolarHBondContact O-NH2 3.34Å
193N98.3Very high97.1Very high27 Ų2751.1 Ų51.114%0.14426%0.262CS..G310 helixtrans-105.73.5178.5-61.1-40.3000113.1T162 W165 D190 P191 R245T162-N193 HydrophobicContact CG2-CB 3.95Å; T162-N193 VanDerWaalsContact CG2-CG 3.44Å; T162-N193 WeakPolarHBondContact CG2-ND2 3.44Å; W165-N193 PolarHBondContact N-O 3.4Å; D190-N193 WeakPolarHBondContact CB-ND2 3.21Å; D190-N193 PolarHBondContact O-N 2.7Å; D190-N193 PolarHBondContact OD2-ND2 3.14Å; P191-N193 PolarHBondContact O-N 2.92Å; N193-R245 PolarHBondContact OD1-NH1 2.81Å
194V98.8Very high96.9Very high13 Ų1345.7 Ų45.78%0.07924%0.237CC..EExtended strand (participates in β ladder)trans-110.5102.7172.2-1760000108.8W165 V167 F181 F186 L189 P191 M196W165-V194 HydrophobicContact CE3-CG2 4.41Å; W165-V194 CarbonylContact O-C 3.58Å; W165-V194 WeakPolarHBondContact O-CA 3.4Å; V167-V194 HydrophobicContact CG2-CG1 4.38Å; F181-V194 HydrophobicContact CD1-CG1 4.02Å; F181-V194 HydrophobicContact CE1-CG1 3.88Å; F186-V194 HydrophobicContact CD1-CB 4.08Å; F186-V194 HydrophobicContact CD1-CG1 4.38Å; F186-V194 HydrophobicContact CD1-CG2 4.17Å; F186-V194 HydrophobicContact CE1-CB 4.42Å; L189-V194 HydrophobicContact CB-CG2 4.11Å; L189-V194 HydrophobicContact CD1-CG2 4.1Å; P191-V194 PolarHBondContact O-N 3.35Å; V194-M196 HydrophobicContact CG1-CE 4.1Å
195V98.8Very high96.8Very high31 Ų3142.8 Ų42.819%0.18822%0.223CC..EExtended strand (participates in β ladder)trans-106.6107.1-174.3-177.70000109.3W165 Y166 V167 I238W165-V195 PolarHBondContact O-N 3.47Å; Y166-V195 CarbonylContact C-O 3.31Å; Y166-V195 WeakPolarHBondContact CA-O 3.39Å; Y166-V195 HydrophobicContact CD1-CB 3.68Å; Y166-V195 HydrophobicContact CD1-CG1 3.97Å; Y166-V195 HydrophobicContact CD1-CG2 4.26Å; Y166-V195 HydrophobicContact CE1-CB 3.96Å; Y166-V195 HydrophobicContact CE1-CG1 4.18Å; Y166-V195 HydrophobicContact CE1-CG2 4.05Å; V167-V195 PolarHBondContact N-O 2.97Å; V195-I238 HydrophobicContact CG1-CD1 4.03Å
196M98.6Very high96.7Very high43 Ų4339.7 Ų39.721%0.21221%0.208CC..EExtended strand (participates in β ladder)trans-92.5137.7176.5-55.6-175.1-177.200110.5V167 L174 T177 A178 F181 V194V167-M196 HydrophobicContact CB-CG 4.17Å; V167-M196 WeakPolarHBondContact O-CA 3.33Å; L174-M196 HydrophobicContact CD1-CB 3.79Å; L174-M196 HydrophobicContact CD1-SD 4.46Å; T177-M196 HydrophobicContact CG2-CE 4.05Å; T177-M196 HydrophobicContact CG2-SD 4.14Å; A178-M196 HydrophobicContact CB-SD 3.92Å; F181-M196 HydrophobicContact CB-CE 3.81Å; F181-M196 HydrophobicContact CD1-CE 3.71Å; F181-M196 HydrophobicContact CD2-CE 3.79Å; F181-M196 HydrophobicContact CE1-CE 4.17Å; F181-M196 HydrophobicContact CE2-CE 4.24Å; F181-M196 HydrophobicContact CG-CE 3.49Å; F181-M196 VanDerWaalsContact CG-CE 3.49Å; F181-M196 HydrophobicContact CZ-CE 4.41Å; V194-M196 HydrophobicContact CG1-CE 4.1Å
197F98.4Very high96.6Very high5 Ų542 Ų422%0.02222%0.218CC..EExtended strand (participates in β ladder)trans-147.1159.1176.766.5-75.1000110.3L109 V167 M168 T169 L229 A232 L233 H236 I238L109-F197 HydrophobicContact CD1-CZ 4.24Å; V167-F197 PolarHBondContact O-N 3.34Å; M168-F197 CarbonylContact C-O 3.23Å; M168-F197 WeakPolarHBondContact CA-O 3.45Å; M168-F197 HydrophobicContact CB-CE1 3.94Å; M168-F197 HydrophobicContact CB-CE2 3.95Å; M168-F197 HydrophobicContact CB-CZ 3.56Å; M168-F197 HydrophobicContact CG-CD2 4.29Å; M168-F197 HydrophobicContact CG-CE2 3.71Å; M168-F197 HydrophobicContact CG-CZ 3.87Å; M168-F197 HydrophobicContact SD-CE2 4.24Å; M168-F197 HydrophobicContact SD-CZ 4.47Å; T169-F197 PolarHBondContact N-O 3.34Å; T169-F197 PolarHBondContact OG1-O 3.24Å; F197-L229 HydrophobicContact CE2-CD1 4.34Å; F197-L229 HydrophobicContact CZ-CD1 4.05Å; F197-A232 HydrophobicContact CD2-CB 3.88Å; F197-A232 HydrophobicContact CE2-CB 3.7Å; F197-L233 HydrophobicContact CE2-CD2 4.5Å; F197-L233 HydrophobicContact CZ-CD2 4.28Å; F197-H236 HydrophobicContact CB-CB 3.96Å; F197-H236 HydrophobicContact CD2-CB 4.5Å; F197-I238 HydrophobicContact CB-CD1 4.04Å; F197-I238 HydrophobicContact CD1-CD1 3.9Å; F197-I238 HydrophobicContact CD1-CG1 4.15Å; F197-I238 HydrophobicContact CD2-CD1 4.46Å; F197-I238 HydrophobicContact CD2-CG1 4.06Å; F197-I238 HydrophobicContact CE1-CG1 4.41Å; F197-I238 HydrophobicContact CE2-CG1 4.28Å; F197-I238 HydrophobicContact CG-CD1 3.88Å; F197-I238 HydrophobicContact CG-CG1 3.98Å; F197-I238 HydrophobicContact CZ-CG1 4.45Å
198E96.8Very high96.3Very high61 Ų6147.1 Ų47.129%0.28525%0.246SC..EExtended strand (participates in β ladder)trans-102.3140.8-174.5-70175.9125.700110.6E171 L174 A232 H236E171-E198 VanDerWaalsContact CA-OE1 3.27Å; E171-E198 WeakPolarHBondContact CA-OE1 3.3Å; L174-E198 HydrophobicContact CB-CG 3.94Å; L174-E198 WeakPolarHBondContact CB-OE1 3.32Å; L174-E198 HydrophobicContact CD2-CG 3.67Å; L174-E198 WeakPolarHBondContact CD2-OE1 3.39Å; L174-E198 HydrophobicContact CG-CG 4.22Å; E198-A232 WeakPolarHBondContact O-CB 3.32Å; E198-H236 PolarHBondContact O-CD2 3.19Å; E198-H236 PolarHBondContact O-NE2 2.95Å; E198-H236 VanDerWaalsContact O-NE2 3.1Å
199Q95.6Very high96.2Very high12 Ų1241.2 Ų41.26%0.05622%0.22CC..PPolyproline II helixtrans-81.3162.1162.379.3-162.8-48.500110.3G113 M168 T169 P223 G225 A232G113-Q199 VanDerWaalsContact CA-NE2 3.34Å; M168-Q199 HydrophobicContact CE-CB 4.29Å; M168-Q199 HydrophobicContact CG-CB 4.11Å; M168-Q199 HydrophobicContact SD-CB 3.96Å; T169-Q199 WeakPolarHBondContact O-CG 3.44Å; T169-Q199 PolarHBondContact O-N 3.08Å; T169-Q199 PolarHBondContact O-NE2 3.35Å; Q199-P223 HydrophobicContact CG-CB 4.33Å; Q199-G225 PolarHBondContact OE1-O 3.21Å; Q199-G225 VanDerWaalsContact OE1-O 3.09Å; Q199-A232 HydrophobicContact CB-CB 4.38Å
200R92.6Very high96.2Very high115 Ų11544.1 Ų44.143%0.43423%0.231SC..PPolyproline II helixtrans-70.9162.3178.5-64.5179.9178.1171.60.7111.4D224 C231 D235R200-D224 PolarHBondContact O-N 2.8Å; R200-D224 VanDerWaalsContact O-OD1 3.12Å; R200-C231 PolarHBondContact NH1-SG 3.15Å; R200-D235 IonicContact CZ-OD1 2.77Å; R200-D235 IonicContact CZ-OD2 3.7Å; R200-D235 IonicContact NE-OD1 3.22Å; R200-D235 IonicContact NE-OD2 3.37Å; R200-D235 PolarHBondContact NE-OD2 3.4Å; R200-D235 IonicContact NH2-OD1 3.61Å; R200-D235 PolarHBondContact NH2-OD1 2.83Å; R200-D235 IonicContact NH2-OD2 2.77Å; R200-D235 PolarHBondContact NH2-OD2 3Å
201L91.9Very high96.2Very high30 Ų3040.3 Ų40.316%0.15721%0.211CC..EExtended strand (participates in β ladder)trans-111.9146.9170.1-58.2-176000110.4E171 F172 M221 A222 P223E171-L201 HydrophobicContact CB-CD1 3.83Å; E171-L201 HydrophobicContact CB-CG 4.49Å; E171-L201 WeakPolarHBondContact OE2-CD1 3.19Å; F172-L201 HydrophobicContact CE2-CD1 4.15Å; F172-L201 HydrophobicContact CE2-CD2 4.01Å; F172-L201 HydrophobicContact CZ-CD1 4.23Å; L201-M221 HydrophobicContact CB-CB 4.19Å; L201-M221 HydrophobicContact CB-CE 3.68Å; L201-M221 HydrophobicContact CD1-CB 3.83Å; L201-A222 CarbonylContact C-O 3.42Å; L201-A222 VanDerWaalsContact CA-O 3.3Å; L201-A222 WeakPolarHBondContact CA-O 3.49Å; L201-P223 HydrophobicContact CD2-CB 4.44Å; L201-P223 HydrophobicContact CD2-CG 4.16Å
202L92.4Very high96.2Very high56 Ų5637.7 Ų37.729%0.29319%0.194SC..EExtended strand (participates in β ladder)trans-118144.3170.3-69.7174.2000110.4A204 A222 D224 M381L202-A204 PolarHBondContact O-N 2.8Å; L202-A222 PolarHBondContact N-O 3.39Å; L202-A222 PolarHBondContact O-N 2.85Å; L202-D224 HydrophobicContact CD1-CB 3.62Å; L202-D224 HydrophobicContact CG-CB 3.76Å; L202-M381 HydrophobicContact CD1-CB 4.36Å
203P95.1Very high96.1Very high5 Ų535 Ų353%0.03217%0.171CC..EExtended strand (participates in β ladder)trans-63.7135.1172.9-19.931.5000111.4L41 L46 H49 V211 V219 M221L41-P203 HydrophobicContact CD1-CG 4.23Å; L41-P203 HydrophobicContact CD2-CG 3.89Å; L46-P203 HydrophobicContact CD1-CG 3.93Å; H49-P203 PolarHBondContact NE2-O 3.1Å; P203-V211 HydrophobicContact CB-CG1 3.77Å; P203-V211 HydrophobicContact CB-CG2 4.08Å; P203-V219 HydrophobicContact CB-CG1 4.15Å; P203-M221 HydrophobicContact CB-SD 4.08Å; P203-M221 HydrophobicContact CG-CE 4.24Å; P203-M221 HydrophobicContact CG-SD 3.88Å
204A95.9Very high96Very high1 Ų137.1 Ų37.11%0.00818%0.18CC..  trans-71.3140.1165.400000109.3L202 I212 A220 V361 K380L202-A204 PolarHBondContact O-N 2.8Å; A204-I212 HydrophobicContact CB-CD1 4.43Å; A204-I212 PolarHBondContact O-N 2.77Å; A204-A220 HydrophobicContact CB-CB 4.23Å; A204-A220 WeakPolarHBondContact CB-O 3.46Å; A204-A220 PolarHBondContact N-O 3.09Å; A204-V361 HydrophobicContact CB-CG1 4Å; A204-V361 HydrophobicContact CB-CG2 4.24Å; A204-K380 HydrophobicContact CB-CG 4.39Å
205V96.7Very high95.9Very high0 Ų041.2 Ų41.20%019%0.194CC..BIsolated β-bridgetrans-127.4151.9-176.7-57.60000111.2A53 K210 V211 G378 I379A53-V205 HydrophobicContact CB-CG2 3.41Å; A53-V205 VanDerWaalsContact CB-CG2 3.41Å; V205-K210 CarbonylContact C-O 3.51Å; V205-K210 WeakPolarHBondContact CA-O 3.34Å; V205-V211 HydrophobicContact CG1-CG2 4.17Å; V205-G378 CarbonylContact O-C 3.45Å; V205-G378 WeakPolarHBondContact O-CA 3.4Å; V205-I379 HydrophobicContact CG2-CB 3.99Å; V205-I379 HydrophobicContact CG2-CD1 4.38Å; V205-I379 PolarHBondContact N-O 2.97Å; V205-I379 PolarHBondContact O-N 2.9Å
206T96.1Very high95.8Very high35 Ų3542.5 Ų42.522%0.21520%0.197CC..  trans-68.8170.9170.358.40000111D208 G209 K210 I212T206-D208 WeakPolarHBondContact CB-OD1 3.32Å; T206-D208 PolarHBondContact O-N 2.99Å; T206-D208 PolarHBondContact OG1-OD1 3.06Å; T206-G209 PolarHBondContact O-N 3.08Å; T206-K210 HydrophobicContact CG2-CB 4.38Å; T206-K210 PolarHBondContact N-O 3.05Å; T206-K210 WeakPolarHBondContact OG1-CA 3.31Å; T206-K210 VanDerWaalsContact OG1-CB 3.32Å; T206-K210 WeakPolarHBondContact OG1-CB 3.45Å; T206-K210 PolarHBondContact OG1-N 3.42Å; T206-K210 PolarHBondContact OG1-O 3.34Å; T206-I212 HydrophobicContact CG2-CD1 4.2Å; T206-I212 HydrophobicContact CG2-CG1 3.74Å
207F95.1Very high95.7Very high92 Ų9242.4 Ų42.440%0.40420%0.198SC..THydrogen-bonded Turntrans-62.8-24.4179.8-57.5-49.5000114.2C57 V358 P376 I379C57-F207 VanDerWaalsContact SG-CD1 3.55Å; F207-V358 HydrophobicContact CE1-CG1 3.96Å; F207-V358 HydrophobicContact CE1-CG2 4.42Å; F207-V358 HydrophobicContact CZ-CG1 4.08Å; F207-P376 HydrophobicContact CZ-CB 4.4Å; F207-I379 HydrophobicContact CD1-CD1 3.98Å; F207-I379 HydrophobicContact CD1-CG1 3.8Å; F207-I379 HydrophobicContact CE1-CG1 4.13Å
208D93.3Very high95.5Very high114 Ų11444.1 Ų44.161%0.6121%0.205SC*.THydrogen-bonded Turntrans-91.66.8173.765.3-44.8000113.5T206 K210T206-D208 WeakPolarHBondContact CB-OD1 3.32Å; T206-D208 PolarHBondContact O-N 2.99Å; T206-D208 PolarHBondContact OG1-OD1 3.06Å; D208-K210 WeakPolarHBondContact OD2-CG 3.47Å
209G94.8Very high95.5Very high4 Ų441.2 Ų41.24%0.04119%0.191CC..SBendtrans81.128174.100000114.5Q16 C50 T206Q16-G209 PolarHBondContact NE2-O 3.33Å; C50-G209 VanDerWaalsContact CB-O 3.24Å; C50-G209 WeakPolarHBondContact CB-O 3.37Å; T206-G209 PolarHBondContact O-N 3.08Å
210K97Very high95.4Very high76 Ų7641 Ų4133%0.3319%0.191SC..PPolyproline II helixtrans-94.8130.8170.8-62.4-69.4180171.50110.4G15 V205 T206 D208 I212G15-K210 PolarHBondContact O-NZ 3.08Å; V205-K210 CarbonylContact C-O 3.51Å; V205-K210 WeakPolarHBondContact CA-O 3.34Å; T206-K210 HydrophobicContact CG2-CB 4.38Å; T206-K210 PolarHBondContact N-O 3.05Å; T206-K210 WeakPolarHBondContact OG1-CA 3.31Å; T206-K210 VanDerWaalsContact OG1-CB 3.32Å; T206-K210 WeakPolarHBondContact OG1-CB 3.45Å; T206-K210 PolarHBondContact OG1-N 3.42Å; T206-K210 PolarHBondContact OG1-O 3.34Å; D208-K210 WeakPolarHBondContact OD2-CG 3.47Å; K210-I212 PolarHBondContact O-N 3.4Å
211V97.7Very high95.4Very high2 Ų237 Ų371%0.01218%0.178CC..BIsolated β-bridgetrans-61134.6175.4176.30000110.1Q16 H18 L19 L46 P203 V205 V219Q16-V211 HydrophobicContact CG-CG2 4.26Å; H18-V211 PolarHBondContact NE2-O 3.48Å; L19-V211 HydrophobicContact CD1-CB 3.97Å; L19-V211 HydrophobicContact CD1-CG1 3.96Å; L19-V211 HydrophobicContact CD1-CG2 4.43Å; L19-V211 HydrophobicContact CD2-CB 3.85Å; L19-V211 HydrophobicContact CD2-CG1 3.76Å; L19-V211 HydrophobicContact CG-CB 4.31Å; L19-V211 HydrophobicContact CG-CG1 4.45Å; L46-V211 HydrophobicContact CD1-CG2 3.84Å; P203-V211 HydrophobicContact CB-CG1 3.77Å; P203-V211 HydrophobicContact CB-CG2 4.08Å; V205-V211 HydrophobicContact CG1-CG2 4.17Å; V211-V219 HydrophobicContact CG1-CG1 3.52Å
212I97.9Very high95.3Very high9 Ų935.8 Ų35.85%0.04617%0.172CC..PPolyproline II helixtrans-86.4132-178.9-62173.1000109.4A204 T206 K210 A220 V361 Y363A204-I212 HydrophobicContact CB-CD1 4.43Å; A204-I212 PolarHBondContact O-N 2.77Å; T206-I212 HydrophobicContact CG2-CD1 4.2Å; T206-I212 HydrophobicContact CG2-CG1 3.74Å; K210-I212 PolarHBondContact O-N 3.4Å; I212-A220 HydrophobicContact CB-CB 4.05Å; I212-A220 HydrophobicContact CG2-CB 3.96Å; I212-A220 WeakPolarHBondContact O-CB 3.26Å; I212-A220 PolarHBondContact O-N 3.09Å; I212-V361 HydrophobicContact CD1-CB 4.03Å; I212-V361 HydrophobicContact CD1-CG1 4.12Å; I212-V361 HydrophobicContact CD1-CG2 4.36Å; I212-V361 HydrophobicContact CG2-CG1 4.07Å; I212-Y363 VanDerWaalsContact CG2-CB 3.48Å
213L97.6Very high95.3Very high4 Ų434.5 Ų34.52%0.02117%0.167CC..EExtended strand (participates in β ladder)trans-87.1123165.9-76.7173.6000109.1L19 F22 K218 V219 Y363 V364L19-L213 HydrophobicContact CD2-CD2 3.85Å; L19-L213 HydrophobicContact CD2-CG 3.77Å; F22-L213 HydrophobicContact CD2-CD1 4.29Å; L213-K218 CarbonylContact C-O 3.56Å; L213-K218 WeakPolarHBondContact CA-O 3.32Å; L213-V219 HydrophobicContact CD2-CG2 4.31Å; L213-Y363 CarbonylContact O-C 3.55Å; L213-Y363 WeakPolarHBondContact O-CA 3.38Å; L213-Y363 WeakPolarHBondContact O-CB 3.37Å; L213-V364 HydrophobicContact CB-CG1 3.58Å; L213-V364 HydrophobicContact CD1-CG1 4.44Å; L213-V364 PolarHBondContact O-N 2.8Å
214E95.6Very high95.1Very high71 Ų7134.8 Ų34.833%0.33217%0.168SC..EExtended strand (participates in β ladder)trans-71.5-41.6172.4-172.4-168.9-175.300110.4K218 A220 Y363 L370E214-K218 PolarHBondContact N-O 3.47Å; E214-A220 HydrophobicContact CB-CB 4.02Å; E214-Y363 CarbonylContact O-C 3.59Å; E214-L370 WeakPolarHBondContact O-CD2 3.22Å
215R96.3Very high94.9Very high99 Ų9935 Ų3537%0.37417%0.171SC..EExtended strand (participates in β ladder)trans-137.9170.3175.2-57.6-170.8-63.7-79.31.5109.4D217 K218 L370R215-D217 IonicContact NE-OD1 3.73Å; R215-D217 PolarHBondContact O-N 2.87Å; R215-K218 HydrophobicContact CB-CB 4.09Å; R215-K218 PolarHBondContact N-O 2.93Å; R215-K218 PolarHBondContact O-N 3.3Å; R215-K218 VanDerWaalsContact O-N 3.13Å; R215-L370 HydrophobicContact CB-CD2 4.44Å; R215-L370 HydrophobicContact CG-CD2 3.95Å
216K96.9Very high94.8Very high59 Ų5937.3 Ų37.326%0.25718%0.183SC..THydrogen-bonded Turntrans-54.2-28.5179.9-64.2-171175.2-173.40113.4F22 E25 L26 V364 G368F22-K216 HydrophobicContact CB-CB 3.87Å; F22-K216 HydrophobicContact CB-CD 4.19Å; F22-K216 HydrophobicContact CB-CG 4.1Å; F22-K216 HydrophobicContact CD1-CD 4.2Å; F22-K216 HydrophobicContact CD1-CG 4.36Å; F22-K216 HydrophobicContact CD2-CB 3.95Å; F22-K216 HydrophobicContact CD2-CD 4.44Å; F22-K216 HydrophobicContact CD2-CG 3.73Å; F22-K216 HydrophobicContact CE2-CG 4.19Å; F22-K216 HydrophobicContact CG-CB 4.05Å; F22-K216 HydrophobicContact CG-CD 4.03Å; F22-K216 HydrophobicContact CG-CG 3.81Å; E25-K216 IonicContact OE2-NZ 2.65Å; E25-K216 PolarHBondContact OE2-NZ 2.84Å; L26-K216 HydrophobicContact CD2-CB 3.77Å; K216-V364 HydrophobicContact CG-CG2 4.04Å; K216-G368 WeakPolarHBondContact CE-O 3.44Å
217D95.5Very high94.7Very high41 Ų4135.6 Ų35.622%0.21917%0.173CC..THydrogen-bonded Turntrans-117.513.8-176.564.6-15.3000114.1L26 S30 R215L26-D217 HydrophobicContact CD1-CB 3.95Å; L26-D217 HydrophobicContact CD2-CB 3.87Å; S30-D217 WeakPolarHBondContact CB-OD2 3.46Å; S30-D217 PolarHBondContact OG-OD2 2.77Å; R215-D217 IonicContact NE-OD1 3.73Å; R215-D217 PolarHBondContact O-N 2.87Å
218K95.1Very high94.7Very high41 Ų4131.2 Ų31.218%0.17815%0.154CC..EExtended strand (participates in β ladder)trans-143.3126.6-174-17364.5178.6166.10112.6E37 L213 E214 R215E37-K218 WeakPolarHBondContact OE1-CE 3.33Å; E37-K218 IonicContact OE1-NZ 2.72Å; E37-K218 PolarHBondContact OE1-NZ 3.16Å; E37-K218 IonicContact OE2-NZ 4Å; L213-K218 CarbonylContact C-O 3.56Å; L213-K218 WeakPolarHBondContact CA-O 3.32Å; E214-K218 PolarHBondContact N-O 3.47Å; R215-K218 HydrophobicContact CB-CB 4.09Å; R215-K218 PolarHBondContact N-O 2.93Å; R215-K218 PolarHBondContact O-N 3.3Å; R215-K218 VanDerWaalsContact O-N 3.13Å
219V96.2Very high94.9Very high0 Ų025.8 Ų25.80%013%0.125CC..EExtended strand (participates in β ladder)trans-72.9137.7170.81790000110.1E37 L38 P203 V211 L213 M221E37-V219 HydrophobicContact CG-CG2 4.48Å; E37-V219 PolarHBondContact OE2-N 2.94Å; L38-V219 HydrophobicContact CD2-CG2 3.75Å; P203-V219 HydrophobicContact CB-CG1 4.15Å; V211-V219 HydrophobicContact CG1-CG1 3.52Å; L213-V219 HydrophobicContact CD2-CG2 4.31Å; V219-M221 HydrophobicContact CB-CG 4.41Å; V219-M221 HydrophobicContact CB-SD 4.22Å; V219-M221 HydrophobicContact CG1-CG 4.26Å; V219-M221 HydrophobicContact CG1-SD 3.61Å; V219-M221 PolarHBondContact O-N 2.7Å; V219-M221 VanDerWaalsContact O-N 3.08Å
220A94.9Very high95Very high6 Ų625.6 Ų25.65%0.0512%0.123CC..  trans-72.999.9171.400000109.6A204 I212 E214 V361A204-A220 HydrophobicContact CB-CB 4.23Å; A204-A220 WeakPolarHBondContact CB-O 3.46Å; A204-A220 PolarHBondContact N-O 3.09Å; I212-A220 HydrophobicContact CB-CB 4.05Å; I212-A220 HydrophobicContact CG2-CB 3.96Å; I212-A220 WeakPolarHBondContact O-CB 3.26Å; I212-A220 PolarHBondContact O-N 3.09Å; E214-A220 HydrophobicContact CB-CB 4.02Å; A220-V361 HydrophobicContact CB-CG1 3.82Å
221M92.6Very high95Very high33 Ų3322.6 Ų22.616%0.16311%0.111CC..EExtended strand (participates in β ladder)trans-97.4152.4178.9-60.4-62.3-76.800111.5L41 F172 L201 P203 V219L41-M221 HydrophobicContact CD2-CE 4.42Å; F172-M221 HydrophobicContact CZ-CB 4.45Å; L201-M221 HydrophobicContact CB-CB 4.19Å; L201-M221 HydrophobicContact CB-CE 3.68Å; L201-M221 HydrophobicContact CD1-CB 3.83Å; P203-M221 HydrophobicContact CB-SD 4.08Å; P203-M221 HydrophobicContact CG-CE 4.24Å; P203-M221 HydrophobicContact CG-SD 3.88Å; V219-M221 HydrophobicContact CB-CG 4.41Å; V219-M221 HydrophobicContact CB-SD 4.22Å; V219-M221 HydrophobicContact CG1-CG 4.26Å; V219-M221 HydrophobicContact CG1-SD 3.61Å; V219-M221 PolarHBondContact O-N 2.7Å; V219-M221 VanDerWaalsContact O-N 3.08Å
222A89.4Confident94.9Very high4 Ų422.5 Ų22.53%0.03311%0.11CC..EExtended strand (participates in β ladder)trans-142.5150.617400000111L201 L202 K380L201-A222 CarbonylContact C-O 3.42Å; L201-A222 VanDerWaalsContact CA-O 3.3Å; L201-A222 WeakPolarHBondContact CA-O 3.49Å; L202-A222 PolarHBondContact N-O 3.39Å; L202-A222 PolarHBondContact O-N 2.85Å; A222-K380 HydrophobicContact CB-CD 3.53Å; A222-K380 HydrophobicContact CB-CG 4.05Å
223P91.4Very high94.9Very high28 Ų2822 Ų2218%0.18211%0.108CC..EExtended strand (participates in β ladder)trans-54143.3170-25.835.9000111.9Q199 L201 G225Q199-P223 HydrophobicContact CG-CB 4.33Å; L201-P223 HydrophobicContact CD2-CB 4.44Å; L201-P223 HydrophobicContact CD2-CG 4.16Å; P223-G225 PolarHBondContact O-N 2.83Å
224D91.3Very high94.8Very high11 Ų1125.6 Ų25.66%0.05912%0.124CC..  trans-79.723.4-177.266.7-22.1000114.2R200 L202 G228 E382 K383R200-D224 PolarHBondContact O-N 2.8Å; R200-D224 VanDerWaalsContact O-OD1 3.12Å; L202-D224 HydrophobicContact CD1-CB 3.62Å; L202-D224 HydrophobicContact CG-CB 3.76Å; D224-G228 WeakPolarHBondContact OD1-CA 3.27Å; D224-G228 WeakPolarHBondContact OD2-CA 3.26Å; D224-E382 CarbonylContact O-C 3.45Å; D224-E382 WeakPolarHBondContact O-CA 3.46Å; D224-K383 PolarHBondContact O-N 3.14Å
225G91.5Very high94.8Very high7 Ų725.8 Ų25.87%0.07213%0.128CC..  trans81.8165.9-176.700000113.1Q199 P223 G227 G228 K383Q199-G225 PolarHBondContact OE1-O 3.21Å; Q199-G225 VanDerWaalsContact OE1-O 3.09Å; P223-G225 PolarHBondContact O-N 2.83Å; G225-G227 PolarHBondContact O-N 3.32Å; G225-G227 VanDerWaalsContact O-N 3.17Å; G225-G228 PolarHBondContact O-N 3.34Å; G225-K383 CarbonylContact C-O 3.47Å; G225-K383 WeakPolarHBondContact CA-O 3.41Å
226N94.1Very high94.9Very high47 Ų4725 Ų2525%0.25113%0.129SC..G310 helixtrans-67.8-16.5-178.264.67.8000113.7L111 G228 L229 K383 F384 V385L111-N226 HydrophobicContact CD1-CB 4.16Å; N226-G228 VanDerWaalsContact C-N 3.27Å; N226-L229 VanDerWaalsContact O-CB 3.27Å; N226-L229 WeakPolarHBondContact O-CB 3.24Å; N226-L229 PolarHBondContact O-N 2.9Å; N226-K383 PolarHBondContact N-O 3.49Å; N226-K383 PolarHBondContact OD1-O 2.93Å; N226-F384 VanDerWaalsContact OD1-CA 3.28Å; N226-F384 WeakPolarHBondContact OD1-CA 3.49Å; N226-V385 HydrophobicContact CB-CB 4.43Å; N226-V385 PolarHBondContact OD1-N 2.78Å
227G94.9Very high94.9Very high0 Ų029 Ų290%015%0.146CC..G310 helixtrans-75.9-10168.900000114.1G225 L229 Y230 K383G225-G227 PolarHBondContact O-N 3.32Å; G225-G227 VanDerWaalsContact O-N 3.17Å; G227-L229 PolarHBondContact O-N 3.15Å; G227-L229 VanDerWaalsContact O-N 3.14Å; G227-Y230 WeakPolarHBondContact O-CD2 3.3Å; G227-Y230 PolarHBondContact O-N 3.46Å; G227-K383 WeakPolarHBondContact CA-O 3.34Å; G227-K383 PolarHBondContact N-O 3.02Å
228G94.8Very high95.1Very high0 Ų027.3 Ų27.30%014%0.137CC..G310 helixtrans-60.9-13.5165.700000113.5D224 G225 N226 Y230 C231 A232D224-G228 WeakPolarHBondContact OD1-CA 3.27Å; D224-G228 WeakPolarHBondContact OD2-CA 3.26Å; G225-G228 PolarHBondContact O-N 3.34Å; N226-G228 VanDerWaalsContact C-N 3.27Å; G228-Y230 PolarHBondContact O-N 3.14Å; G228-Y230 VanDerWaalsContact O-N 3.15Å; G228-C231 PolarHBondContact O-N 3.24Å; G228-A232 PolarHBondContact O-N 3.1Å; G228-A232 VanDerWaalsContact O-N 3.09Å
229L97.8Very high95.2Very high0 Ų025.8 Ų25.80%013%0.13CC..Hα-helixtrans-41.6-47.4169.1173.563000112.8L109 L111 M168 F197 N226 G227 C231 A232 L233 V252 V385L109-L229 HydrophobicContact CD1-CD1 3.79Å; L109-L229 HydrophobicContact CD2-CD1 3.57Å; L109-L229 HydrophobicContact CD2-CD2 4.19Å; L109-L229 HydrophobicContact CG-CD1 4.34Å; L111-L229 HydrophobicContact CD2-CD1 4.45Å; L111-L229 HydrophobicContact CD2-CD2 4.22Å; M168-L229 HydrophobicContact CE-CB 4.38Å; M168-L229 WeakPolarHBondContact SD-CA 3.42Å; M168-L229 HydrophobicContact SD-CB 3.78Å; M168-L229 HydrophobicContact SD-CD1 3.69Å; M168-L229 HydrophobicContact SD-CG 4.38Å; F197-L229 HydrophobicContact CE2-CD1 4.34Å; F197-L229 HydrophobicContact CZ-CD1 4.05Å; N226-L229 VanDerWaalsContact O-CB 3.27Å; N226-L229 WeakPolarHBondContact O-CB 3.24Å; N226-L229 PolarHBondContact O-N 2.9Å; G227-L229 PolarHBondContact O-N 3.15Å; G227-L229 VanDerWaalsContact O-N 3.14Å; L229-C231 PolarHBondContact O-N 3.43Å; L229-A232 WeakPolarHBondContact O-CB 3.48Å; L229-A232 PolarHBondContact O-N 3.4Å; L229-A232 VanDerWaalsContact O-N 3.16Å; L229-L233 HydrophobicContact CD1-CD1 4.18Å; L229-L233 HydrophobicContact CD1-CD2 4.13Å; L229-L233 HydrophobicContact CD1-CG 3.88Å; L229-L233 HydrophobicContact CG-CD1 4.09Å; L229-L233 HydrophobicContact CG-CG 4.23Å; L229-L233 VanDerWaalsContact O-CG 3.29Å; L229-L233 WeakPolarHBondContact O-CG 3.5Å; L229-L233 PolarHBondContact O-N 3.07Å; L229-V252 HydrophobicContact CD2-CG1 4.38Å; L229-V252 HydrophobicContact CD2-CG2 4.5Å; L229-V385 HydrophobicContact CD2-CG2 3.89Å
230Y97.6Very high95.3Very high0 Ų029 Ų290%015%0.146CC..Hα-helixtrans-68.9-37.6-170.1-54.9-60.5000112.6G227 G228 L233 L341 V344 T345 L352 V385 V388G227-Y230 WeakPolarHBondContact O-CD2 3.3Å; G227-Y230 PolarHBondContact O-N 3.46Å; G228-Y230 PolarHBondContact O-N 3.14Å; G228-Y230 VanDerWaalsContact O-N 3.15Å; Y230-L233 HydrophobicContact CD1-CD1 4.46Å; Y230-L341 HydrophobicContact CD1-CD2 4.47Å; Y230-L341 HydrophobicContact CE1-CD2 4.01Å; Y230-V344 HydrophobicContact CD1-CB 4.32Å; Y230-V344 HydrophobicContact CD1-CG1 3.41Å; Y230-V344 VanDerWaalsContact CD1-CG1 3.41Å; Y230-V344 HydrophobicContact CD2-CG1 4.03Å; Y230-V344 HydrophobicContact CE1-CG1 3.83Å; Y230-V344 HydrophobicContact CE2-CG1 4.4Å; Y230-V344 HydrophobicContact CG-CG1 3.53Å; Y230-T345 WeakPolarHBondContact O-CG2 3.31Å; Y230-L352 HydrophobicContact CD2-CD1 3.63Å; Y230-L352 HydrophobicContact CE2-CD1 4.03Å; Y230-V385 WeakPolarHBondContact OH-CG2 3.37Å; Y230-V385 PolarHBondContact OH-O 3.12Å; Y230-V388 HydrophobicContact CD2-CG1 3.94Å; Y230-V388 HydrophobicContact CE1-CG1 4.15Å; Y230-V388 HydrophobicContact CE1-CG2 4.48Å; Y230-V388 HydrophobicContact CE2-CB 4.49Å; Y230-V388 HydrophobicContact CE2-CG1 3.3Å; Y230-V388 HydrophobicContact CE2-CG2 4.46Å; Y230-V388 VanDerWaalsContact CZ-CG1 3.43Å; Y230-V388 WeakPolarHBondContact OH-CG2 3.49Å
231C95.2Very high95.5Very high12 Ų1229.8 Ų29.88%0.08115%0.149CC..Hα-helixtrans-66.1-45.3169.5-74.10000111.5R200 G228 L229 L233 E234 D235 E349R200-C231 PolarHBondContact NH1-SG 3.15Å; G228-C231 PolarHBondContact O-N 3.24Å; L229-C231 PolarHBondContact O-N 3.43Å; C231-L233 VanDerWaalsContact C-N 3.26Å; C231-L233 PolarHBondContact O-N 2.88Å; C231-E234 PolarHBondContact O-N 3.42Å; C231-E234 VanDerWaalsContact O-N 3.09Å; C231-D235 VanDerWaalsContact O-CG 3.29Å; C231-D235 PolarHBondContact O-N 3.46Å; C231-E349 PolarHBondContact SG-OE1 3.25Å
232A96.9Very high95.8Very high0 Ų028.2 Ų28.20%014%0.141CC..Hα-helixtrans-60.6-35.5-177.500000112.7M168 F197 E198 Q199 G228 L229 E234 H236M168-A232 HydrophobicContact SD-CB 4.43Å; F197-A232 HydrophobicContact CD2-CB 3.88Å; F197-A232 HydrophobicContact CE2-CB 3.7Å; E198-A232 WeakPolarHBondContact O-CB 3.32Å; Q199-A232 HydrophobicContact CB-CB 4.38Å; G228-A232 PolarHBondContact O-N 3.1Å; G228-A232 VanDerWaalsContact O-N 3.09Å; L229-A232 WeakPolarHBondContact O-CB 3.48Å; L229-A232 PolarHBondContact O-N 3.4Å; L229-A232 VanDerWaalsContact O-N 3.16Å; A232-E234 VanDerWaalsContact C-N 3.34Å; A232-E234 PolarHBondContact O-N 2.94Å; A232-H236 WeakPolarHBondContact O-CB 3.48Å; A232-H236 PolarHBondContact O-CD2 3.04Å; A232-H236 PolarHBondContact O-N 3.26Å; A232-H236 VanDerWaalsContact O-N 3.15Å
233L98.2Very high96.3Very high0 Ų032.6 Ų32.60%016%0.161CC..Hα-helixtrans-60.4-41.8174.7-74175.8000112.4L109 F197 L229 Y230 C231 K237 I238 L239 L341 T345L109-L233 HydrophobicContact CD1-CD2 3.89Å; F197-L233 HydrophobicContact CE2-CD2 4.5Å; F197-L233 HydrophobicContact CZ-CD2 4.28Å; L229-L233 HydrophobicContact CD1-CD1 4.18Å; L229-L233 HydrophobicContact CD1-CD2 4.13Å; L229-L233 HydrophobicContact CD1-CG 3.88Å; L229-L233 HydrophobicContact CG-CD1 4.09Å; L229-L233 HydrophobicContact CG-CG 4.23Å; L229-L233 VanDerWaalsContact O-CG 3.29Å; L229-L233 WeakPolarHBondContact O-CG 3.5Å; L229-L233 PolarHBondContact O-N 3.07Å; Y230-L233 HydrophobicContact CD1-CD1 4.46Å; C231-L233 VanDerWaalsContact C-N 3.26Å; C231-L233 PolarHBondContact O-N 2.88Å; L233-K237 PolarHBondContact O-N 2.72Å; L233-I238 HydrophobicContact CD2-CB 3.61Å; L233-I238 HydrophobicContact CD2-CG1 4.24Å; L233-I238 HydrophobicContact CD2-CG2 3.45Å; L233-I238 VanDerWaalsContact CD2-CG2 3.45Å; L233-I238 PolarHBondContact O-N 3.14Å; L233-L239 HydrophobicContact CB-CG 4.31Å; L233-L239 HydrophobicContact CD1-CD2 4.36Å; L233-L341 HydrophobicContact CD1-CD1 4.39Å; L233-L341 HydrophobicContact CD1-CD2 4.24Å; L233-T345 HydrophobicContact CB-CG2 4.06Å; L233-T345 HydrophobicContact CD1-CG2 4.26Å
234E95.1Very high96.6Very high78 Ų7839.4 Ų39.436%0.36418%0.183SC..Hα-helixtrans-74.8-48179.1-172.375.8-163.700110.9C231 A232 H236 K237 T345C231-E234 PolarHBondContact O-N 3.42Å; C231-E234 VanDerWaalsContact O-N 3.09Å; A232-E234 VanDerWaalsContact C-N 3.34Å; A232-E234 PolarHBondContact O-N 2.94Å; E234-H236 PolarHBondContact O-N 3.44Å; E234-K237 PolarHBondContact O-N 3.46Å; E234-K237 VanDerWaalsContact O-N 3.1Å; E234-T345 PolarHBondContact OE2-OG1 3.39Å
235D95.1Very high96.9Very high76 Ų7642 Ų4241%0.40619%0.192SC..Hα-helixtrans-56.9-38.8-177.5-70.1-19.6000112.5R200 C231R200-D235 IonicContact CZ-OD1 2.77Å; R200-D235 IonicContact CZ-OD2 3.7Å; R200-D235 IonicContact NE-OD1 3.22Å; R200-D235 IonicContact NE-OD2 3.37Å; R200-D235 PolarHBondContact NE-OD2 3.4Å; R200-D235 IonicContact NH2-OD1 3.61Å; R200-D235 PolarHBondContact NH2-OD1 2.83Å; R200-D235 IonicContact NH2-OD2 2.77Å; R200-D235 PolarHBondContact NH2-OD2 3Å; C231-D235 VanDerWaalsContact O-CG 3.29Å; C231-D235 PolarHBondContact O-N 3.46Å
236H97.8Very high97.3Very high83 Ų8343.5 Ų43.538%0.38421%0.207SC..THydrogen-bonded Turntrans-100.58-177.2-65.9-78.8000113.8F197 E198 A232 E234 I238F197-H236 HydrophobicContact CB-CB 3.96Å; F197-H236 HydrophobicContact CD2-CB 4.5Å; E198-H236 PolarHBondContact O-CD2 3.19Å; E198-H236 PolarHBondContact O-NE2 2.95Å; E198-H236 VanDerWaalsContact O-NE2 3.1Å; A232-H236 WeakPolarHBondContact O-CB 3.48Å; A232-H236 PolarHBondContact O-CD2 3.04Å; A232-H236 PolarHBondContact O-N 3.26Å; A232-H236 VanDerWaalsContact O-N 3.15Å; E234-H236 PolarHBondContact O-N 3.44Å; H236-I238 HydrophobicContact CB-CD1 3.94Å; H236-I238 HydrophobicContact CB-CG1 3.87Å; H236-I238 PolarHBondContact O-N 3.05Å
237K98.1Very high97.5Very high143 Ų14341.3 Ų41.362%0.62220%0.195SC*.THydrogen-bonded Turntrans53.637.8179.1-56.2-179.3-178.2178.30113.7L233 E234 L239 E240 D241L233-K237 PolarHBondContact O-N 2.72Å; E234-K237 PolarHBondContact O-N 3.46Å; E234-K237 VanDerWaalsContact O-N 3.1Å; K237-L239 VanDerWaalsContact C-N 3.32Å; K237-E240 WeakPolarHBondContact CA-OE2 3.28Å; K237-E240 HydrophobicContact CB-CB 4.36Å; K237-E240 HydrophobicContact CB-CG 4.5Å; K237-E240 WeakPolarHBondContact CB-OE2 3.43Å; K237-E240 PolarHBondContact O-N 2.81Å; K237-D241 PolarHBondContact O-N 3.02Å; K237-D241 VanDerWaalsContact O-N 3.13Å
238I98.7Very high97.7Very high5 Ų544.8 Ų44.83%0.02621%0.212CC..Hα-helixtrans-70.2-33.4-176.7-58.6-59.3000110.6Y166 V195 F197 L233 H236 E240 D241 M242Y166-I238 HydrophobicContact CD1-CD1 4.43Å; Y166-I238 HydrophobicContact CD1-CG2 3.58Å; Y166-I238 HydrophobicContact CE1-CG2 3.76Å; Y166-I238 HydrophobicContact CG-CG2 4.2Å; V195-I238 HydrophobicContact CG1-CD1 4.03Å; F197-I238 HydrophobicContact CB-CD1 4.04Å; F197-I238 HydrophobicContact CD1-CD1 3.9Å; F197-I238 HydrophobicContact CD1-CG1 4.15Å; F197-I238 HydrophobicContact CD2-CD1 4.46Å; F197-I238 HydrophobicContact CD2-CG1 4.06Å; F197-I238 HydrophobicContact CE1-CG1 4.41Å; F197-I238 HydrophobicContact CE2-CG1 4.28Å; F197-I238 HydrophobicContact CG-CD1 3.88Å; F197-I238 HydrophobicContact CG-CG1 3.98Å; F197-I238 HydrophobicContact CZ-CG1 4.45Å; L233-I238 HydrophobicContact CD2-CB 3.61Å; L233-I238 HydrophobicContact CD2-CG1 4.24Å; L233-I238 HydrophobicContact CD2-CG2 3.45Å; L233-I238 VanDerWaalsContact CD2-CG2 3.45Å; L233-I238 PolarHBondContact O-N 3.14Å; H236-I238 HydrophobicContact CB-CD1 3.94Å; H236-I238 HydrophobicContact CB-CG1 3.87Å; H236-I238 PolarHBondContact O-N 3.05Å; I238-E240 VanDerWaalsContact C-N 3.35Å; I238-D241 WeakPolarHBondContact O-CB 3.14Å; I238-D241 PolarHBondContact O-N 3.22Å; I238-M242 HydrophobicContact CG2-CE 3.77Å; I238-M242 HydrophobicContact CG2-SD 4.41Å; I238-M242 WeakPolarHBondContact O-CG 3.06Å; I238-M242 PolarHBondContact O-N 3.23Å
239L98.4Very high97.9Very high8 Ų845.8 Ų45.84%0.04222%0.216CC..Hα-helixtrans-67.9-35.6177.3-66.1178.2000112.2L233 K237 D241 M242 E243 L341 K342 T345L233-L239 HydrophobicContact CB-CG 4.31Å; L233-L239 HydrophobicContact CD1-CD2 4.36Å; K237-L239 VanDerWaalsContact C-N 3.32Å; L239-D241 VanDerWaalsContact C-N 3.34Å; L239-M242 HydrophobicContact CD2-SD 4.06Å; L239-E243 WeakPolarHBondContact O-CB 3.48Å; L239-E243 PolarHBondContact O-N 3.4Å; L239-L341 HydrophobicContact CD2-CB 3.78Å; L239-L341 HydrophobicContact CD2-CD1 4.3Å; L239-K342 HydrophobicContact CD1-CB 4.22Å; L239-T345 HydrophobicContact CD1-CG2 3.84Å; L239-T345 WeakPolarHBondContact CD1-OG1 3.4Å
240E98.6Very high97.9Very high69 Ų6945.8 Ų45.832%0.32222%0.216SC..Hα-helixtrans-67-36.8171.7-6775.5-171.100111.3K237 I238 E243 R244K237-E240 WeakPolarHBondContact CA-OE2 3.28Å; K237-E240 HydrophobicContact CB-CB 4.36Å; K237-E240 HydrophobicContact CB-CG 4.5Å; K237-E240 WeakPolarHBondContact CB-OE2 3.43Å; K237-E240 PolarHBondContact O-N 2.81Å; I238-E240 VanDerWaalsContact C-N 3.35Å; E240-E243 PolarHBondContact O-N 2.57Å; E240-R244 WeakPolarHBondContact O-CB 3.41Å; E240-R244 PolarHBondContact O-N 2.71Å
241D98.8Very high98Very high22 Ų2245.8 Ų45.812%0.11822%0.216CC..Hα-helixtrans-62.7-48.3173.6-159.674.8000112Y166 K237 I238 L239 E243 R244 R245Y166-D241 HydrophobicContact CE1-CB 4.29Å; Y166-D241 PolarHBondContact OH-OD2 3.05Å; K237-D241 PolarHBondContact O-N 3.02Å; K237-D241 VanDerWaalsContact O-N 3.13Å; I238-D241 WeakPolarHBondContact O-CB 3.14Å; I238-D241 PolarHBondContact O-N 3.22Å; L239-D241 VanDerWaalsContact C-N 3.34Å; D241-E243 VanDerWaalsContact C-N 3.34Å; D241-E243 PolarHBondContact O-N 3.15Å; D241-R244 PolarHBondContact O-N 2.78Å; D241-R244 IonicContact OD1-CZ 3.76Å; D241-R244 IonicContact OD1-NH1 3.32Å; D241-R244 PolarHBondContact OD1-NH1 2.97Å; D241-R244 IonicContact OD1-NH2 3.18Å; D241-R244 PolarHBondContact OD1-NH2 2.79Å; D241-R245 WeakPolarHBondContact O-CG 2.95Å; D241-R245 PolarHBondContact O-N 2.76Å; D241-R245 VanDerWaalsContact O-N 3.08Å; D241-R245 IonicContact OD1-NE 3.95Å; D241-R245 IonicContact OD2-CZ 2.67Å; D241-R245 IonicContact OD2-NE 3.95Å; D241-R245 PolarHBondContact OD2-NE 3.35Å; D241-R245 IonicContact OD2-NH2 2.94Å
242M98.8Very high98.2Very high0 Ų045.2 Ų45.20%021%0.212CC..Hα-helixtrans-57.2-46.3174.2-72.1173.7177.600111.5L109 Y166 I238 L239 R245 G246 V247 V250 R338L109-M242 HydrophobicContact CD1-CE 4.08Å; Y166-M242 HydrophobicContact CD2-CE 3.64Å; Y166-M242 HydrophobicContact CE1-CG 4.41Å; Y166-M242 HydrophobicContact CE2-CE 3.68Å; Y166-M242 HydrophobicContact CE2-CG 3.72Å; Y166-M242 HydrophobicContact CG-CE 4.09Å; Y166-M242 WeakPolarHBondContact OH-CG 3.37Å; Y166-M242 PolarHBondContact OH-N 3.45Å; I238-M242 HydrophobicContact CG2-CE 3.77Å; I238-M242 HydrophobicContact CG2-SD 4.41Å; I238-M242 WeakPolarHBondContact O-CG 3.06Å; I238-M242 PolarHBondContact O-N 3.23Å; L239-M242 HydrophobicContact CD2-SD 4.06Å; M242-R245 PolarHBondContact O-N 3.08Å; M242-G246 PolarHBondContact O-N 3.17Å; M242-G246 VanDerWaalsContact O-N 3.16Å; M242-V247 HydrophobicContact CB-CB 3.95Å; M242-V247 HydrophobicContact CB-CG1 4.26Å; M242-V247 HydrophobicContact CG-CB 4.34Å; M242-V247 HydrophobicContact CG-CG1 4.25Å; M242-V247 WeakPolarHBondContact O-CB 3.33Å; M242-V247 PolarHBondContact O-N 2.8Å; M242-V250 HydrophobicContact CE-CG1 4.07Å; M242-V250 HydrophobicContact CE-CG2 3.82Å; M242-V250 HydrophobicContact SD-CG2 3.75Å; M242-R338 HydrophobicContact CB-CG 4.5Å
243E98.6Very high98.3Very high95 Ų9545.2 Ų45.244%0.44421%0.212SC..Hα-helixtrans-60.9-46.6177.6-178.4158.1-116.600112.2L239 E240 D241 R245 G246 R338L239-E243 WeakPolarHBondContact O-CB 3.48Å; L239-E243 PolarHBondContact O-N 3.4Å; E240-E243 PolarHBondContact O-N 2.57Å; D241-E243 VanDerWaalsContact C-N 3.34Å; D241-E243 PolarHBondContact O-N 3.15Å; E243-R245 PolarHBondContact O-N 3.5Å; E243-G246 PolarHBondContact O-N 2.71Å; E243-R338 IonicContact OE1-CZ 2.6Å; E243-R338 IonicContact OE1-NH1 2.7Å; E243-R338 PolarHBondContact OE1-NH1 3.22Å; E243-R338 IonicContact OE1-NH2 2.7Å; E243-R338 IonicContact OE2-NH1 2.99Å
244R98.6Very high98.2Very high171 Ų17146.2 Ų46.265%0.64522%0.219SC*.Hα-helixtrans-61-32.9178.6-171.117974-102.90.5112.6E240 D241 G246E240-R244 WeakPolarHBondContact O-CB 3.41Å; E240-R244 PolarHBondContact O-N 2.71Å; D241-R244 PolarHBondContact O-N 2.78Å; D241-R244 IonicContact OD1-CZ 3.76Å; D241-R244 IonicContact OD1-NH1 3.32Å; D241-R244 PolarHBondContact OD1-NH1 2.97Å; D241-R244 IonicContact OD1-NH2 3.18Å; D241-R244 PolarHBondContact OD1-NH2 2.79Å; R244-G246 VanDerWaalsContact C-N 3.34Å
245R98.4Very high98.3Very high67 Ų6743 Ų4325%0.25320%0.204SC..THydrogen-bonded Turntrans-83.9-6.8178.3-67.6175.7-173.7-94.14.1113.8A192 N193 D241 M242 E243 V247A192-R245 PolarHBondContact O-NH1 2.87Å; A192-R245 PolarHBondContact O-NH2 3.34Å; N193-R245 PolarHBondContact OD1-NH1 2.81Å; D241-R245 WeakPolarHBondContact O-CG 2.95Å; D241-R245 PolarHBondContact O-N 2.76Å; D241-R245 VanDerWaalsContact O-N 3.08Å; D241-R245 IonicContact OD1-NE 3.95Å; D241-R245 IonicContact OD2-CZ 2.67Å; D241-R245 IonicContact OD2-NE 3.95Å; D241-R245 PolarHBondContact OD2-NE 3.35Å; D241-R245 IonicContact OD2-NH2 2.94Å; M242-R245 PolarHBondContact O-N 3.08Å; E243-R245 PolarHBondContact O-N 3.5Å; R245-V247 VanDerWaalsContact C-N 3.32Å; R245-V247 HydrophobicContact CB-CG2 4.08Å
246G98.5Very high98.3Very high38 Ų3839.7 Ų39.739%0.39219%0.187SC..THydrogen-bonded Turntrans78.214.6-175.800000114.3M242 E243 R244 E248M242-G246 PolarHBondContact O-N 3.17Å; M242-G246 VanDerWaalsContact O-N 3.16Å; E243-G246 PolarHBondContact O-N 2.71Å; R244-G246 VanDerWaalsContact C-N 3.34Å; G246-E248 PolarHBondContact O-N 3.31Å
247V98.8Very high98.3Very high1 Ų135.9 Ų35.91%0.00617%0.169CC..  trans-67.9126177.8174.20000109.6A107 P164 M242 R245 V250 R338A107-V247 HydrophobicContact CB-CB 4.5Å; A107-V247 HydrophobicContact CB-CG1 3.66Å; A107-V247 HydrophobicContact CB-CG2 3.99Å; P164-V247 HydrophobicContact CG-CG2 4.2Å; M242-V247 HydrophobicContact CB-CB 3.95Å; M242-V247 HydrophobicContact CB-CG1 4.26Å; M242-V247 HydrophobicContact CG-CB 4.34Å; M242-V247 HydrophobicContact CG-CG1 4.25Å; M242-V247 WeakPolarHBondContact O-CB 3.33Å; M242-V247 PolarHBondContact O-N 2.8Å; R245-V247 VanDerWaalsContact C-N 3.32Å; R245-V247 HydrophobicContact CB-CG2 4.08Å; V247-V250 HydrophobicContact CG1-CG2 4.14Å; V247-R338 VanDerWaalsContact O-CD 3.25Å; V247-R338 WeakPolarHBondContact O-CD 3.36Å; V247-R338 PolarHBondContact O-NE 2.94Å
248E98.8Very high98.4Very high72 Ų7229.1 Ų29.134%0.33614%0.14SC..  trans-110.8-30.4175.9-70.7179.8-170.900111.8K105 G246 T337 R338K105-E248 HydrophobicContact CB-CB 4.32Å; K105-E248 HydrophobicContact CD-CG 4.44Å; K105-E248 WeakPolarHBondContact CE-OE1 3.28Å; K105-E248 HydrophobicContact CG-CG 4.39Å; K105-E248 IonicContact NZ-OE1 3.41Å; K105-E248 PolarHBondContact NZ-OE1 3.16Å; K105-E248 IonicContact NZ-OE2 2.57Å; K105-E248 PolarHBondContact NZ-OE2 2.73Å; K105-E248 PolarHBondContact O-N 2.83Å; G246-E248 PolarHBondContact O-N 3.31Å; E248-T337 CarbonylContact O-C 3.57Å; E248-T337 VanDerWaalsContact O-CA 3.31Å; E248-T337 WeakPolarHBondContact O-CA 3.3Å; E248-R338 PolarHBondContact O-N 3.24Å
249F98.9Very high98.4Very high21 Ų2129 Ų299%0.09214%0.139CC..EExtended strand (participates in β ladder)trans-124.8132-173-49.4-59.8000111.2Q100 K105 V106 A107 V272 F335 T337Q100-F249 HydrophobicContact CB-CD2 4.29Å; Q100-F249 HydrophobicContact CB-CE2 4.33Å; Q100-F249 HydrophobicContact CG-CD2 4.39Å; Q100-F249 HydrophobicContact CG-CE2 4Å; K105-F249 HydrophobicContact CB-CD2 4.24Å; K105-F249 HydrophobicContact CB-CE2 4.37Å; K105-F249 PolarHBondContact O-N 2.82Å; V106-F249 WeakPolarHBondContact CA-O 3.41Å; V106-F249 HydrophobicContact CG2-CB 4.43Å; V106-F249 HydrophobicContact CG2-CD2 4.4Å; A107-F249 PolarHBondContact N-O 3.31Å; F249-V272 HydrophobicContact CD1-CG2 4.13Å; F249-V272 HydrophobicContact CD2-CG2 4.07Å; F249-V272 HydrophobicContact CE1-CG2 3.82Å; F249-V272 HydrophobicContact CE2-CG2 3.79Å; F249-V272 HydrophobicContact CG-CG2 4.24Å; F249-V272 HydrophobicContact CZ-CG1 4.33Å; F249-V272 HydrophobicContact CZ-CG2 3.65Å; F249-F335 HydrophobicContact CB-CE2 3.68Å; F249-F335 HydrophobicContact CB-CZ 4.08Å; F249-F335 HydrophobicContact CD1-CE1 4.24Å; F249-F335 AromaticContact CD1-CE2 3.75Å; F249-F335 HydrophobicContact CD1-CE2 3.75Å; F249-F335 AromaticContact CD1-CZ 3.26Å; F249-F335 HydrophobicContact CD1-CZ 3.26Å; F249-F335 AromaticContact CE1-CZ 3.94Å; F249-F335 HydrophobicContact CE1-CZ 3.94Å; F249-F335 AromaticContact CG-CE2 3.86Å; F249-F335 HydrophobicContact CG-CE2 3.86Å; F249-F335 AromaticContact CG-CZ 3.88Å; F249-F335 HydrophobicContact CG-CZ 3.88Å; F249-T337 HydrophobicContact CD1-CG2 4.1Å; F249-T337 HydrophobicContact CE1-CG2 4.14Å
250V98.9Very high98.4Very high0 Ų028.6 Ų28.60%014%0.137CC..EExtended strand (participates in β ladder)trans-121.5117.6-177.8-172.80000109A107 L109 M242 V247 V252 F336 L341A107-V250 WeakPolarHBondContact O-CA 3.4Å; L109-V250 HydrophobicContact CB-CG1 3.69Å; L109-V250 HydrophobicContact CD1-CG1 4.36Å; M242-V250 HydrophobicContact CE-CG1 4.07Å; M242-V250 HydrophobicContact CE-CG2 3.82Å; M242-V250 HydrophobicContact SD-CG2 3.75Å; V247-V250 HydrophobicContact CG1-CG2 4.14Å; V250-V252 HydrophobicContact CG1-CG2 4Å; V250-F336 PolarHBondContact N-O 3.04Å; V250-F336 PolarHBondContact O-N 3.28Å; V250-L341 HydrophobicContact CB-CD1 4.06Å; V250-L341 HydrophobicContact CG1-CD1 4.4Å; V250-L341 HydrophobicContact CG2-CD1 3.78Å
251H98.9Very high98.4Very high1 Ų126.4 Ų26.41%0.00513%0.126CC..EExtended strand (participates in β ladder)trans-89.1102.6169.2177.2-168.6000109.3A107 V108 L109 R261 A263 N333 H334A107-H251 PolarHBondContact O-N 3.35Å; V108-H251 CarbonylContact C-O 3.54Å; V108-H251 WeakPolarHBondContact CA-O 3.27Å; V108-H251 HydrophobicContact CG1-CB 4.23Å; L109-H251 PolarHBondContact N-O 2.9Å; H251-R261 PolarHBondContact CE1-O 2.88Å; H251-A263 PolarHBondContact ND1-N 2.74Å; H251-N333 PolarHBondContact NE2-OD1 3.3Å; H251-N333 VanDerWaalsContact NE2-OD1 3.14Å; H251-H334 CarbonylContact C-O 3.58Å; H251-H334 WeakPolarHBondContact CA-O 3.37Å; H251-H334 PolarHBondContact CD2-O 3.26Å
252V98.9Very high98.3Very high0 Ų025.3 Ų25.30%012%0.12CC..EExtended strand (participates in β ladder)trans-86.8132175.9-1800000110.1L109 L111 L229 V250 N333 H334 F336 V385L109-V252 HydrophobicContact CB-CG2 4.09Å; L109-V252 HydrophobicContact CD2-CG1 4.17Å; L109-V252 HydrophobicContact CD2-CG2 4.37Å; L109-V252 CarbonylContact O-C 3.57Å; L109-V252 VanDerWaalsContact O-CA 3.27Å; L109-V252 WeakPolarHBondContact O-CA 3.33Å; L111-V252 HydrophobicContact CD1-CG1 3.79Å; L111-V252 HydrophobicContact CD2-CG1 4.04Å; L111-V252 HydrophobicContact CG-CG1 3.91Å; L229-V252 HydrophobicContact CD2-CG1 4.38Å; L229-V252 HydrophobicContact CD2-CG2 4.5Å; V250-V252 HydrophobicContact CG1-CG2 4Å; V252-N333 CarbonylContact O-C 3.58Å; V252-N333 WeakPolarHBondContact O-CA 3.34Å; V252-H334 HydrophobicContact CB-CB 4.37Å; V252-H334 PolarHBondContact N-O 3.4Å; V252-H334 PolarHBondContact O-N 3.39Å; V252-F336 HydrophobicContact CB-CD2 4.31Å; V252-F336 HydrophobicContact CB-CE2 4.13Å; V252-F336 HydrophobicContact CG2-CD2 3.52Å; V252-F336 HydrophobicContact CG2-CE2 3.72Å; V252-V385 HydrophobicContact CG1-CG2 4.33Å
253Y98.8Very high98.3Very high0 Ų025.3 Ų25.30%012%0.12CC..EExtended strand (participates in β ladder)trans-147.3161.7179.974.1-77.1000113.7V108 L109 L110 L111 Q142 W165 V260 L262 C332V108-Y253 HydrophobicContact CB-CE1 4.12Å; L109-Y253 WeakPolarHBondContact O-CD1 3.48Å; L109-Y253 PolarHBondContact O-N 3.26Å; L110-Y253 HydrophobicContact CB-CE1 3.85Å; L110-Y253 HydrophobicContact CB-CE2 4.49Å; L110-Y253 HydrophobicContact CD1-CD2 4.04Å; L110-Y253 HydrophobicContact CD1-CE1 4.3Å; L110-Y253 HydrophobicContact CD1-CE2 3.48Å; L110-Y253 VanDerWaalsContact CD1-CE2 3.48Å; L110-Y253 HydrophobicContact CG-CE2 4.47Å; L111-Y253 WeakPolarHBondContact CG-O 3.13Å; L111-Y253 PolarHBondContact N-O 3.05Å; Q142-Y253 HydrophobicContact CG-CE2 4.33Å; Q142-Y253 PolarHBondContact OE1-OH 2.96Å; W165-Y253 WeakPolarHBondContact CZ2-OH 3.49Å; W165-Y253 PolarHBondContact NE1-OH 3.5Å; W165-Y253 VanDerWaalsContact NE1-OH 3.08Å; Y253-V260 HydrophobicContact CD2-CG1 4.24Å; Y253-V260 HydrophobicContact CD2-CG2 3.8Å; Y253-V260 HydrophobicContact CE2-CG1 4.22Å; Y253-V260 HydrophobicContact CE2-CG2 4.49Å; Y253-V260 HydrophobicContact CG-CG2 4.18Å; Y253-L262 HydrophobicContact CD1-CD2 3.82Å; Y253-L262 HydrophobicContact CD2-CD2 3.8Å; Y253-L262 HydrophobicContact CE1-CD2 3.53Å; Y253-L262 HydrophobicContact CE2-CD2 3.5Å; Y253-L262 VanDerWaalsContact CE2-CD2 3.5Å; Y253-L262 HydrophobicContact CG-CD2 3.94Å; Y253-C332 VanDerWaalsContact CA-O 3.29Å; Y253-C332 WeakPolarHBondContact CA-O 3.22Å
254C96.8Very high98.3Very high21 Ų2121 Ų2114%0.14210%0.1CC..EExtended strand (participates in β ladder)trans-91142175.9-1650000112.8D256 C332C254-D256 PolarHBondContact O-N 3.09Å; C254-D256 VanDerWaalsContact O-N 3.07Å; C254-C332 HydrophobicContact CB-CB 4.07Å; C254-C332 PolarHBondContact N-O 2.93Å
255V97.1Very high98.3Very high9 Ų913 Ų136%0.0557%0.07CC..THydrogen-bonded Turntrans-58.6-23.8-176.873.60000114.9L110 L111 A112 K125 Y139 Q142L110-V255 VanDerWaalsContact CD1-CA 3.46Å; L110-V255 HydrophobicContact CD1-CB 3.66Å; L110-V255 HydrophobicContact CD1-CG2 4.06Å; L110-V255 HydrophobicContact CD2-CG2 4.32Å; L111-V255 PolarHBondContact O-N 3.3Å; A112-V255 HydrophobicContact CB-CB 4.36Å; A112-V255 HydrophobicContact CB-CG2 4.37Å; K125-V255 HydrophobicContact CB-CG1 4.13Å; K125-V255 HydrophobicContact CD-CG1 4.2Å; K125-V255 HydrophobicContact CG-CG1 4.5Å; Y139-V255 HydrophobicContact CE1-CG2 4.22Å; Q142-V255 PolarHBondContact NE2-O 3.1Å
256D95.8Very high98.3Very high8 Ų810.1 Ų10.14%0.0436%0.06CC..THydrogen-bonded Turntrans-95.81.3-161.462.620000116.6K125 C254 P408 L409 K410K125-D256 HydrophobicContact CD-CB 3.39Å; K125-D256 IonicContact NZ-OD2 3.01Å; K125-D256 PolarHBondContact NZ-OD2 2.94Å; C254-D256 PolarHBondContact O-N 3.09Å; C254-D256 VanDerWaalsContact O-N 3.07Å; D256-P408 CarbonylContact O-C 3.6Å; D256-P408 WeakPolarHBondContact O-CA 3.35Å; D256-L409 HydrophobicContact CB-CB 4.39Å; D256-L409 WeakPolarHBondContact CB-O 3.37Å; D256-L409 PolarHBondContact O-N 3.32Å; D256-K410 IonicContact OD1-NZ 2.68Å; D256-K410 PolarHBondContact OD1-NZ 3.23Å; D256-K410 VanDerWaalsContact OD1-NZ 3.07Å; D256-K410 VanDerWaalsContact OD2-CD 3.24Å; D256-K410 WeakPolarHBondContact OD2-CD 3.36Å; D256-K410 WeakPolarHBondContact OD2-CE 3.17Å; D256-K410 IonicContact OD2-NZ 2.7Å; D256-K410 PolarHBondContact OD2-NZ 2.99Å
257N98Very high98.3Very high2 Ų28.3 Ų8.31%0.0114%0.042CC..BIsolated β-bridgetrans-90.3110.9175178.415000110.9L259 V260 E405 F406 S407N257-L259 PolarHBondContact O-N 3.04Å; N257-L259 PolarHBondContact OD1-N 3.12Å; N257-V260 HydrophobicContact CB-CB 4.14Å; N257-V260 WeakPolarHBondContact O-CB 3.31Å; N257-V260 VanDerWaalsContact O-CG1 3.26Å; N257-V260 WeakPolarHBondContact O-CG1 3.47Å; N257-V260 PolarHBondContact O-N 3.35Å; N257-E405 PolarHBondContact ND2-O 3.31Å; N257-F406 WeakPolarHBondContact OD1-CA 3.37Å; N257-S407 PolarHBondContact OD1-N 3.37Å
258I98.6Very high98.3Very high2 Ų28.3 Ų8.31%0.014%0.042CC..THydrogen-bonded Turntrans-68.6-23.8179.6-163.1168.5000112.8V130 L132 L138 L141 R145 S407 S423 L427V130-I258 HydrophobicContact CB-CD1 4.49Å; V130-I258 HydrophobicContact CG1-CD1 4.35Å; V130-I258 HydrophobicContact CG2-CD1 3.45Å; V130-I258 VanDerWaalsContact CG2-CD1 3.45Å; L132-I258 HydrophobicContact CD1-CD1 4.33Å; L138-I258 HydrophobicContact CD2-CB 4.03Å; L138-I258 HydrophobicContact CD2-CD1 4.25Å; L138-I258 HydrophobicContact CD2-CG1 3.88Å; L141-I258 HydrophobicContact CD1-CD1 4.23Å; L141-I258 HydrophobicContact CD1-CG1 3.9Å; R145-I258 VanDerWaalsContact CZ-O 3.27Å; R145-I258 PolarHBondContact NH1-O 3.35Å; R145-I258 PolarHBondContact NH2-O 2.78Å; I258-S407 PolarHBondContact N-O 3.07Å; I258-S423 WeakPolarHBondContact CG2-O 3.07Å; I258-L427 HydrophobicContact CD1-CB 4.26Å; I258-L427 HydrophobicContact CD1-CD2 4.06Å; I258-L427 HydrophobicContact CG1-CB 4.5Å; I258-L427 HydrophobicContact CG1-CD2 4.17Å
259L98.7Very high98.3Very high2 Ų24.9 Ų4.91%0.013%0.026CC..THydrogen-bonded Turntrans-93.67-179.5-59.2-173.4000113.2N257 R261 A426 L427N257-L259 PolarHBondContact O-N 3.04Å; N257-L259 PolarHBondContact OD1-N 3.12Å; L259-R261 PolarHBondContact O-N 3.1Å; L259-A426 HydrophobicContact CD1-CB 4.14Å; L259-L427 HydrophobicContact CD2-CB 4.06Å; L259-L427 HydrophobicContact CD2-CD1 3.6Å; L259-L427 HydrophobicContact CD2-CG 4.45Å
260V98.7Very high98.3Very high0 Ų04.2 Ų4.20%02%0.023CC..  trans-58.5125.4-175.368.20000112.4Q142 R145 Y253 N257 L262 N333Q142-V260 HydrophobicContact CG-CG1 4.09Å; R145-V260 WeakPolarHBondContact CD-O 3.35Å; R145-V260 PolarHBondContact NE-O 2.88Å; R145-V260 PolarHBondContact NH1-O 3.16Å; Y253-V260 HydrophobicContact CD2-CG1 4.24Å; Y253-V260 HydrophobicContact CD2-CG2 3.8Å; Y253-V260 HydrophobicContact CE2-CG1 4.22Å; Y253-V260 HydrophobicContact CE2-CG2 4.49Å; Y253-V260 HydrophobicContact CG-CG2 4.18Å; N257-V260 HydrophobicContact CB-CB 4.14Å; N257-V260 WeakPolarHBondContact O-CB 3.31Å; N257-V260 VanDerWaalsContact O-CG1 3.26Å; N257-V260 WeakPolarHBondContact O-CG1 3.47Å; N257-V260 PolarHBondContact O-N 3.35Å; V260-L262 HydrophobicContact CB-CD2 4.42Å; V260-L262 HydrophobicContact CG1-CD2 3.84Å; V260-L262 HydrophobicContact CG1-CG 4.27Å; V260-L262 HydrophobicContact CG2-CD2 3.75Å; V260-N333 VanDerWaalsContact CG2-OD1 3.29Å; V260-N333 WeakPolarHBondContact CG2-OD1 3.47Å
261R98.1Very high98.3Very high22 Ų224.2 Ų4.28%0.0832%0.023CC..  trans-88.5101.8173.9-71.1-167.1-177.7161-0.2110.7H251 L259 D264 E404 E405 Y474H251-R261 PolarHBondContact CE1-O 2.88Å; L259-R261 PolarHBondContact O-N 3.1Å; R261-D264 HydrophobicContact CB-CB 3.96Å; R261-D264 PolarHBondContact O-N 3.04Å; R261-E404 IonicContact NH2-OE2 2.84Å; R261-E404 PolarHBondContact NH2-OE2 3.14Å; R261-E405 VanDerWaalsContact CD-CD 3.47Å; R261-E405 HydrophobicContact CG-CG 4.03Å; R261-E405 IonicContact CZ-OE1 3.65Å; R261-E405 IonicContact NE-OE1 3.55Å; R261-E405 IonicContact NH1-OE1 3.73Å; R261-E405 PolarHBondContact NH1-OE1 2.8Å; R261-Y474 WeakPolarHBondContact CA-OH 3.45Å; R261-Y474 WeakPolarHBondContact CB-OH 3.27Å
262L98.3Very high98.3Very high0 Ų05.5 Ų5.50%03%0.03CC..THydrogen-bonded Turntrans-79.3132.7-173.8-64.9-166.3000113.7Q142 R145 I146 Y253 V260 D264 Y474Q142-L262 HydrophobicContact CB-CD1 3.6Å; Q142-L262 HydrophobicContact CG-CD1 3.95Å; Q142-L262 VanDerWaalsContact O-CD1 3.29Å; Q142-L262 WeakPolarHBondContact O-CD1 3.43Å; R145-L262 HydrophobicContact CB-CB 4.2Å; R145-L262 HydrophobicContact CB-CD1 4.49Å; R145-L262 HydrophobicContact CB-CG 4.37Å; I146-L262 HydrophobicContact CD1-CD1 3.92Å; I146-L262 HydrophobicContact CG1-CB 4.14Å; I146-L262 HydrophobicContact CG1-CD1 3.65Å; Y253-L262 HydrophobicContact CD1-CD2 3.82Å; Y253-L262 HydrophobicContact CD2-CD2 3.8Å; Y253-L262 HydrophobicContact CE1-CD2 3.53Å; Y253-L262 HydrophobicContact CE2-CD2 3.5Å; Y253-L262 VanDerWaalsContact CE2-CD2 3.5Å; Y253-L262 HydrophobicContact CG-CD2 3.94Å; V260-L262 HydrophobicContact CB-CD2 4.42Å; V260-L262 HydrophobicContact CG1-CD2 3.84Å; V260-L262 HydrophobicContact CG1-CG 4.27Å; V260-L262 HydrophobicContact CG2-CD2 3.75Å; L262-D264 PolarHBondContact O-N 3.44Å; L262-Y474 PolarHBondContact N-OH 2.83Å; L262-Y474 VanDerWaalsContact N-OH 3.09Å; L262-Y474 PolarHBondContact O-OH 2.76Å
263A98.4Very high98.3Very high0 Ų09.8 Ų9.80%05%0.053CC..THydrogen-bonded Turntrans4744.3-168.400000112.1I101 V106 V108 V149 V163 H251 P265 I268I101-A263 HydrophobicContact CD1-CB 4.25Å; I101-A263 WeakPolarHBondContact CD1-O 3.34Å; V106-A263 HydrophobicContact CG1-CB 3.97Å; V108-A263 HydrophobicContact CG1-CB 3.84Å; V149-A263 HydrophobicContact CG1-CB 3.93Å; V163-A263 HydrophobicContact CG1-CB 4.04Å; V163-A263 HydrophobicContact CG2-CB 4.45Å; H251-A263 PolarHBondContact ND1-N 2.74Å; A263-P265 VanDerWaalsContact O-CD 3.25Å; A263-P265 WeakPolarHBondContact O-CD 2.94Å; A263-I268 HydrophobicContact CB-CD1 4.19Å
264D98.7Very high98.2Very high4 Ų413.5 Ų13.52%0.0217%0.07CC..  trans-51.6110.9-179.2173.922.5000112R261 L262 V266 F267 I268 K281R261-D264 HydrophobicContact CB-CB 3.96Å; R261-D264 PolarHBondContact O-N 3.04Å; L262-D264 PolarHBondContact O-N 3.44Å; D264-V266 VanDerWaalsContact C-N 3.26Å; D264-V266 PolarHBondContact O-N 3.48Å; D264-V266 PolarHBondContact OD1-N 3.09Å; D264-V266 VanDerWaalsContact OD1-N 3.14Å; D264-F267 HydrophobicContact CB-CB 4.11Å; D264-F267 PolarHBondContact O-N 2.61Å; D264-F267 WeakPolarHBondContact OD2-CB 3.43Å; D264-F267 PolarHBondContact OD2-N 2.9Å; D264-I268 WeakPolarHBondContact O-CB 3.38Å; D264-I268 WeakPolarHBondContact O-CG1 3.29Å; D264-I268 PolarHBondContact O-N 3.26Å; D264-K281 IonicContact OD2-NZ 3.7Å; D264-K281 PolarHBondContact OD2-NZ 2.84Å
265P98.5Very high98.3Very high3 Ų315 Ų152%0.0199%0.089CC..Hα-helixtrans-64.9-32-174.825.5-33.9000111.7E94 G97 F98 I101 A263 G269E94-P265 HydrophobicContact CG-CB 4.4Å; E94-P265 HydrophobicContact CG-CG 4.21Å; G97-P265 VanDerWaalsContact CA-O 3.27Å; G97-P265 WeakPolarHBondContact CA-O 3.46Å; F98-P265 HydrophobicContact CD1-CB 4.11Å; F98-P265 HydrophobicContact CD1-CG 4.3Å; F98-P265 HydrophobicContact CD2-CB 4.05Å; F98-P265 HydrophobicContact CD2-CG 4.21Å; F98-P265 HydrophobicContact CE1-CB 4.23Å; F98-P265 HydrophobicContact CE1-CG 3.9Å; F98-P265 HydrophobicContact CE2-CB 4.17Å; F98-P265 HydrophobicContact CE2-CG 3.81Å; F98-P265 HydrophobicContact CG-CB 4.03Å; F98-P265 HydrophobicContact CG-CG 4.45Å; F98-P265 HydrophobicContact CZ-CB 4.27Å; F98-P265 HydrophobicContact CZ-CG 3.65Å; I101-P265 HydrophobicContact CD1-CB 4.35Å; A263-P265 VanDerWaalsContact O-CD 3.25Å; A263-P265 WeakPolarHBondContact O-CD 2.94Å; P265-G269 PolarHBondContact O-N 2.95Å
266V98.4Very high98.4Very high7 Ų714.8 Ų14.84%0.0429%0.088CC..Hα-helixtrans-66.8-48.3179-172.60000110.2R90 W93 E94 D264 F270 F398R90-V266 HydrophobicContact CG-CG1 4.17Å; W93-V266 HydrophobicContact CB-CG1 4.12Å; W93-V266 HydrophobicContact CE3-CG1 3.98Å; E94-V266 HydrophobicContact CB-CG2 4.05Å; E94-V266 HydrophobicContact CG-CG2 4.21Å; D264-V266 VanDerWaalsContact C-N 3.26Å; D264-V266 PolarHBondContact O-N 3.48Å; D264-V266 PolarHBondContact OD1-N 3.09Å; D264-V266 VanDerWaalsContact OD1-N 3.14Å; V266-F270 VanDerWaalsContact O-CB 3.29Å; V266-F270 WeakPolarHBondContact O-CB 3.35Å; V266-F270 PolarHBondContact O-N 3.06Å; V266-F398 HydrophobicContact CG1-CE1 4.28Å; V266-F398 HydrophobicContact CG1-CZ 3.65Å
267F98.8Very high98.5Very high0 Ų015.5 Ų15.50%09%0.092CC..Hα-helixtrans-64.3-45.4177.9175.6-133.6000112.4D264 F270 C271 K281 F335 F398D264-F267 HydrophobicContact CB-CB 4.11Å; D264-F267 PolarHBondContact O-N 2.61Å; D264-F267 WeakPolarHBondContact OD2-CB 3.43Å; D264-F267 PolarHBondContact OD2-N 2.9Å; F267-F270 PolarHBondContact O-N 2.89Å; F267-C271 WeakPolarHBondContact CE2-SG 3.04Å; F267-C271 PolarHBondContact O-N 3.4Å; F267-C271 PolarHBondContact O-SG 2.98Å; F267-K281 HydrophobicContact CE1-CB 4.34Å; F267-K281 HydrophobicContact CE2-CB 4.3Å; F267-K281 HydrophobicContact CZ-CB 4.17Å; F267-F335 HydrophobicContact CE1-CB 3.77Å; F267-F335 HydrophobicContact CE2-CB 4.38Å; F267-F335 HydrophobicContact CZ-CB 3.59Å; F267-F398 HydrophobicContact CB-CD1 4.07Å; F267-F398 HydrophobicContact CB-CE1 4.32Å; F267-F398 HydrophobicContact CD2-CB 3.52Å; F267-F398 AromaticContact CD2-CD1 3.85Å; F267-F398 HydrophobicContact CD2-CD1 3.85Å; F267-F398 AromaticContact CD2-CG 3.79Å; F267-F398 HydrophobicContact CD2-CG 3.79Å; F267-F398 HydrophobicContact CE2-CB 3.73Å; F267-F398 HydrophobicContact CE2-CG 4.49Å; F267-F398 HydrophobicContact CG-CD1 4.33Å
268I98.9Very high98.6Very high1 Ų115.4 Ų15.41%0.0059%0.091CC..Hα-helixtrans-61.6-51.1178.6-71166000110.4V106 A263 D264 F270 C271 V272 F335V106-I268 HydrophobicContact CG1-CD1 3.53Å; V106-I268 HydrophobicContact CG2-CD1 4.16Å; V106-I268 HydrophobicContact CG2-CG2 4.12Å; A263-I268 HydrophobicContact CB-CD1 4.19Å; D264-I268 WeakPolarHBondContact O-CB 3.38Å; D264-I268 WeakPolarHBondContact O-CG1 3.29Å; D264-I268 PolarHBondContact O-N 3.26Å; I268-F270 VanDerWaalsContact C-N 3.32Å; I268-F270 PolarHBondContact O-N 3.05Å; I268-C271 PolarHBondContact O-N 3.46Å; I268-C271 VanDerWaalsContact O-N 3.17Å; I268-V272 HydrophobicContact CG2-CG2 4.22Å; I268-V272 VanDerWaalsContact O-CG2 3.27Å; I268-V272 WeakPolarHBondContact O-CG2 3.5Å; I268-V272 PolarHBondContact O-N 3.3Å; I268-F335 HydrophobicContact CG1-CD2 4.45Å; I268-F335 HydrophobicContact CG2-CE2 4.35Å
269G98.8Very high98.6Very high0 Ų015.3 Ų15.30%09%0.091CC..Hα-helixtrans-65.6-34.8-178.600000112.8W93 P265 V272 L273W93-G269 WeakPolarHBondContact O-CA 3.2Å; P265-G269 PolarHBondContact O-N 2.95Å; G269-V272 PolarHBondContact O-N 2.89Å; G269-L273 WeakPolarHBondContact O-CB 3.42Å; G269-L273 WeakPolarHBondContact O-CD1 3.49Å; G269-L273 VanDerWaalsContact O-CG 3.26Å; G269-L273 WeakPolarHBondContact O-CG 3.47Å; G269-L273 PolarHBondContact O-N 3.43Å
270F98.6Very high98.6Very high6 Ų615.2 Ų15.23%0.0269%0.09CC..Hα-helixtrans-56.6-53.8168.7166.2-105.2000111.3W93 V266 F267 I268 V272 L273 Q274 V396 A397 F398W93-F270 HydrophobicContact CB-CB 4.48Å; W93-F270 HydrophobicContact CD2-CB 4Å; W93-F270 HydrophobicContact CD2-CD2 4.26Å; W93-F270 AromaticContact CE2-CD2 3.71Å; W93-F270 HydrophobicContact CE3-CB 4.43Å; W93-F270 HydrophobicContact CG-CB 4.03Å; W93-F270 HydrophobicContact CH2-CD2 4.13Å; W93-F270 AromaticContact CZ2-CD2 3.64Å; W93-F270 HydrophobicContact CZ2-CD2 3.64Å; W93-F270 HydrophobicContact CZ2-CE2 4.19Å; V266-F270 VanDerWaalsContact O-CB 3.29Å; V266-F270 WeakPolarHBondContact O-CB 3.35Å; V266-F270 PolarHBondContact O-N 3.06Å; F267-F270 PolarHBondContact O-N 2.89Å; I268-F270 VanDerWaalsContact C-N 3.32Å; I268-F270 PolarHBondContact O-N 3.05Å; F270-V272 VanDerWaalsContact C-N 3.34Å; F270-V272 PolarHBondContact O-N 2.85Å; F270-L273 PolarHBondContact O-N 2.84Å; F270-Q274 HydrophobicContact CD2-CG 3.97Å; F270-Q274 HydrophobicContact CE2-CG 3.61Å; F270-Q274 HydrophobicContact CZ-CG 3.99Å; F270-Q274 WeakPolarHBondContact O-CB 3.41Å; F270-Q274 VanDerWaalsContact O-CG 3.27Å; F270-Q274 WeakPolarHBondContact O-CG 3.33Å; F270-Q274 PolarHBondContact O-N 2.97Å; F270-V396 HydrophobicContact CD1-CG2 4.26Å; F270-V396 HydrophobicContact CE1-CB 3.74Å; F270-V396 HydrophobicContact CE1-CG2 3.54Å; F270-V396 HydrophobicContact CZ-CB 3.94Å; F270-V396 HydrophobicContact CZ-CG1 4.41Å; F270-V396 HydrophobicContact CZ-CG2 4.2Å; F270-A397 WeakPolarHBondContact CE1-O 3.18Å; F270-F398 HydrophobicContact CB-CD2 4.04Å; F270-F398 HydrophobicContact CB-CE2 4Å; F270-F398 HydrophobicContact CD1-CB 4.01Å; F270-F398 AromaticContact CD1-CD2 3.43Å; F270-F398 HydrophobicContact CD1-CD2 3.43Å; F270-F398 VanDerWaalsContact CD1-CD2 3.43Å; F270-F398 HydrophobicContact CD1-CE2 4.23Å; F270-F398 HydrophobicContact CD1-CG 4.01Å; F270-F398 HydrophobicContact CD2-CD2 4.16Å; F270-F398 HydrophobicContact CD2-CE2 4.36Å; F270-F398 HydrophobicContact CE1-CB 4.05Å; F270-F398 AromaticContact CE1-CD2 3.85Å; F270-F398 HydrophobicContact CE1-CD2 3.85Å; F270-F398 HydrophobicContact CE1-CG 4.4Å; F270-F398 AromaticContact CG-CD2 3.59Å; F270-F398 HydrophobicContact CG-CD2 3.59Å; F270-F398 AromaticContact CG-CE2 3.93Å; F270-F398 HydrophobicContact CG-CE2 3.93Å; F270-F398 HydrophobicContact CZ-CD2 4.39Å
271C98.8Very high98.6Very high0 Ų015.2 Ų15.20%09%0.09CC..Hα-helixtrans-60.4-42.5179.9-71.90000112.4F267 I268 Q274 G275 A276 F335F267-C271 WeakPolarHBondContact CE2-SG 3.04Å; F267-C271 PolarHBondContact O-N 3.4Å; F267-C271 PolarHBondContact O-SG 2.98Å; I268-C271 PolarHBondContact O-N 3.46Å; I268-C271 VanDerWaalsContact O-N 3.17Å; C271-Q274 PolarHBondContact O-N 2.92Å; C271-G275 PolarHBondContact O-N 2.89Å; C271-A276 HydrophobicContact CB-CB 4.22Å; C271-A276 WeakPolarHBondContact O-CB 3.37Å; C271-A276 PolarHBondContact O-N 3.42Å; C271-F335 HydrophobicContact CB-CB 4.32Å; C271-F335 HydrophobicContact CB-CD1 3.62Å; C271-F335 HydrophobicContact CB-CD2 3.71Å; C271-F335 HydrophobicContact CB-CE1 3.68Å; C271-F335 HydrophobicContact CB-CE2 3.75Å; C271-F335 HydrophobicContact CB-CG 3.62Å; C271-F335 HydrophobicContact CB-CZ 3.71Å
272V98.8Very high98.6Very high28 Ų2814.2 Ų14.217%0.179%0.087CC..Hα-helixtrans-65-46.3179.41730000111.5E96 Q100 F249 I268 G269 F270 Q274 G275 F335E96-V272 HydrophobicContact CG-CB 4.25Å; E96-V272 HydrophobicContact CG-CG1 4.01Å; E96-V272 VanDerWaalsContact OE1-CG1 3.27Å; E96-V272 WeakPolarHBondContact OE1-CG1 3.36Å; Q100-V272 HydrophobicContact CG-CG1 4.49Å; Q100-V272 HydrophobicContact CG-CG2 4.37Å; F249-V272 HydrophobicContact CD1-CG2 4.13Å; F249-V272 HydrophobicContact CD2-CG2 4.07Å; F249-V272 HydrophobicContact CE1-CG2 3.82Å; F249-V272 HydrophobicContact CE2-CG2 3.79Å; F249-V272 HydrophobicContact CG-CG2 4.24Å; F249-V272 HydrophobicContact CZ-CG1 4.33Å; F249-V272 HydrophobicContact CZ-CG2 3.65Å; I268-V272 HydrophobicContact CG2-CG2 4.22Å; I268-V272 VanDerWaalsContact O-CG2 3.27Å; I268-V272 WeakPolarHBondContact O-CG2 3.5Å; I268-V272 PolarHBondContact O-N 3.3Å; G269-V272 PolarHBondContact O-N 2.89Å; F270-V272 VanDerWaalsContact C-N 3.34Å; F270-V272 PolarHBondContact O-N 2.85Å; V272-Q274 VanDerWaalsContact C-N 3.28Å; V272-Q274 PolarHBondContact O-N 3.19Å; V272-G275 PolarHBondContact O-N 3.14Å; V272-F335 HydrophobicContact CG2-CE2 4.21Å; V272-F335 HydrophobicContact CG2-CZ 4.09Å
273L98.3Very high98.6Very high90 Ų9014.2 Ų14.247%0.4719%0.087SC..Hα-helixtrans-69.1-27.3179.9-70.3166.8000112.9E96 G269 F270 G275E96-L273 HydrophobicContact CB-CD1 3.87Å; E96-L273 HydrophobicContact CB-CD2 4.46Å; E96-L273 HydrophobicContact CB-CG 4.13Å; E96-L273 HydrophobicContact CG-CD1 4.22Å; E96-L273 HydrophobicContact CG-CD2 4.17Å; E96-L273 HydrophobicContact CG-CG 3.91Å; G269-L273 WeakPolarHBondContact O-CB 3.42Å; G269-L273 WeakPolarHBondContact O-CD1 3.49Å; G269-L273 VanDerWaalsContact O-CG 3.26Å; G269-L273 WeakPolarHBondContact O-CG 3.47Å; G269-L273 PolarHBondContact O-N 3.43Å; F270-L273 PolarHBondContact O-N 2.84Å; L273-G275 PolarHBondContact O-N 3.27Å
274Q98Very high98.4Very high79 Ų7918.1 Ų18.137%0.36911%0.105SC..THydrogen-bonded Turntrans-78.2-5.6170.8-66.8-57.8-46.900113.1F270 C271 V272 A276 N394 V396F270-Q274 HydrophobicContact CD2-CG 3.97Å; F270-Q274 HydrophobicContact CE2-CG 3.61Å; F270-Q274 HydrophobicContact CZ-CG 3.99Å; F270-Q274 WeakPolarHBondContact O-CB 3.41Å; F270-Q274 VanDerWaalsContact O-CG 3.27Å; F270-Q274 WeakPolarHBondContact O-CG 3.33Å; F270-Q274 PolarHBondContact O-N 2.97Å; C271-Q274 PolarHBondContact O-N 2.92Å; V272-Q274 VanDerWaalsContact C-N 3.28Å; V272-Q274 PolarHBondContact O-N 3.19Å; Q274-A276 PolarHBondContact O-N 3.46Å; Q274-N394 PolarHBondContact O-ND2 2.77Å; Q274-V396 HydrophobicContact CB-CG1 3.99Å; Q274-V396 HydrophobicContact CG-CG1 4.32Å
275G98.4Very high98.3Very high51 Ų5118.3 Ų18.353%0.52611%0.106SC..THydrogen-bonded Turntrans61.929.6-17400000112.4C271 V272 L273 N394C271-G275 PolarHBondContact O-N 2.89Å; V272-G275 PolarHBondContact O-N 3.14Å; L273-G275 PolarHBondContact O-N 3.27Å; G275-N394 PolarHBondContact O-ND2 2.7Å
276A98.7Very high97.9Very high5 Ų521.3 Ų21.34%0.04113%0.131CC..  trans-70.9140-17700000110.6C271 Q274 F335 N394 V396C271-A276 HydrophobicContact CB-CB 4.22Å; C271-A276 WeakPolarHBondContact O-CB 3.37Å; C271-A276 PolarHBondContact O-N 3.42Å; Q274-A276 PolarHBondContact O-N 3.46Å; A276-F335 WeakPolarHBondContact O-CE1 3.4Å; A276-N394 VanDerWaalsContact CA-O 3.28Å; A276-N394 WeakPolarHBondContact CA-O 3.43Å; A276-N394 WeakPolarHBondContact CB-O 3.47Å; A276-V396 HydrophobicContact CB-CB 4.48Å; A276-V396 HydrophobicContact CB-CG1 4.12Å; A276-V396 HydrophobicContact CB-CG2 3.6Å
277D98.8Very high97.6Very high23 Ų2324 Ų2412%0.12314%0.141CC..SBendtrans-95-19.3169.366.1-26.7000112T337 F340 K393 N394D277-T337 HydrophobicContact CB-CG2 4.45Å; D277-T337 PolarHBondContact O-N 3.08Å; D277-T337 PolarHBondContact O-OG1 3.29Å; D277-F340 HydrophobicContact CB-CB 4.17Å; D277-F340 WeakPolarHBondContact O-CB 3.39Å; D277-K393 PolarHBondContact OD1-N 2.85Å; D277-K393 WeakPolarHBondContact OD2-CB 3.48Å; D277-K393 PolarHBondContact OD2-N 2.89Å; D277-N394 PolarHBondContact N-O 3.42Å; D277-N394 VanDerWaalsContact OD1-C 3.28Å; D277-N394 WeakPolarHBondContact OD1-CA 3.19Å; D277-N394 PolarHBondContact OD1-N 2.96Å
278C98.8Very high97.3Very high0 Ų025 Ų250%015%0.147CC..EExtended strand (participates in β ladder)trans-144.9136.4177.9-1790000110.4F335 F336 F340 F389 A392 F395 V396C278-F335 CarbonylContact C-O 3.52Å; C278-F335 VanDerWaalsContact CA-O 3.29Å; C278-F335 WeakPolarHBondContact CA-O 3.5Å; C278-F336 HydrophobicContact CB-CD1 4.21Å; C278-F336 HydrophobicContact CB-CE1 4.44Å; C278-F336 WeakPolarHBondContact SG-CE1 3.49Å; C278-F340 HydrophobicContact CB-CD1 4.33Å; C278-F340 HydrophobicContact CB-CE1 4.14Å; C278-F340 HydrophobicContact CB-CZ 4.37Å; C278-F389 WeakPolarHBondContact SG-CD1 3.36Å; C278-A392 HydrophobicContact CB-CB 3.46Å; C278-A392 VanDerWaalsContact CB-CB 3.46Å; C278-F395 HydrophobicContact CB-CD2 4.07Å; C278-F395 WeakPolarHBondContact O-CA 3.29Å; C278-F395 VanDerWaalsContact SG-CD2 3.57Å; C278-V396 PolarHBondContact O-N 3.31Å
279G98.8Very high97Very high0 Ų030.7 Ų30.70%017%0.174CC..EExtended strand (participates in β ladder)trans-140.3148.7176.300000112.6H334 F335 V396G279-H334 CarbonylContact O-C 3.49Å; G279-H334 VanDerWaalsContact O-CA 3.24Å; G279-H334 WeakPolarHBondContact O-CA 3.43Å; G279-F335 PolarHBondContact N-O 3.29Å; G279-F335 PolarHBondContact O-N 2.75Å; G279-V396 CarbonylContact C-O 3.52Å; G279-V396 WeakPolarHBondContact CA-O 3.29Å
280A98.8Very high96.7Very high0 Ų031.1 Ų31.10%018%0.176CC..EExtended strand (participates in β ladder)trans-124.3125174.500000111.3V295 F389 F395 V396 A397 F398A280-V295 HydrophobicContact CB-CG2 4.29Å; A280-F389 HydrophobicContact CB-CE2 3.76Å; A280-F389 HydrophobicContact CB-CZ 3.8Å; A280-F395 HydrophobicContact CB-CE2 4.18Å; A280-F395 HydrophobicContact CB-CZ 3.67Å; A280-V396 PolarHBondContact N-O 3.37Å; A280-A397 CarbonylContact O-C 3.53Å; A280-A397 WeakPolarHBondContact O-CA 3.46Å; A280-F398 PolarHBondContact O-N 3.47Å
281K98.6Very high96.3Very high0 Ų033.9 Ų33.90%020%0.195CC..EExtended strand (participates in β ladder)trans-79.6135.1168.2-169.6178.8-76.1-171.30109.2D264 F267 I331 N333 F398 V400 E405D264-K281 IonicContact OD2-NZ 3.7Å; D264-K281 PolarHBondContact OD2-NZ 2.84Å; F267-K281 HydrophobicContact CE1-CB 4.34Å; F267-K281 HydrophobicContact CE2-CB 4.3Å; F267-K281 HydrophobicContact CZ-CB 4.17Å; K281-I331 HydrophobicContact CB-CD1 4.39Å; K281-I331 HydrophobicContact CB-CG1 4.45Å; K281-I331 HydrophobicContact CD-CD1 4Å; K281-I331 HydrophobicContact CG-CD1 3.95Å; K281-I331 HydrophobicContact CG-CG1 4.47Å; K281-I331 VanDerWaalsContact O-CG1 3.3Å; K281-I331 WeakPolarHBondContact O-CG1 3.43Å; K281-N333 HydrophobicContact CB-CB 3.83Å; K281-N333 WeakPolarHBondContact CB-O 3.1Å; K281-N333 HydrophobicContact CD-CB 4.35Å; K281-N333 PolarHBondContact N-O 3.1Å; K281-F398 CarbonylContact C-O 3.58Å; K281-F398 VanDerWaalsContact CA-O 3.32Å; K281-F398 WeakPolarHBondContact CA-O 3.31Å; K281-F398 HydrophobicContact CG-CD1 4.49Å; K281-V400 HydrophobicContact CD-CG1 3.87Å; K281-V400 HydrophobicContact CD-CG2 3.92Å; K281-V400 HydrophobicContact CG-CG1 3.87Å; K281-V400 HydrophobicContact CG-CG2 3.84Å; K281-E405 WeakPolarHBondContact CD-OE2 3.41Å; K281-E405 IonicContact NZ-OE2 3.68Å; K281-E405 PolarHBondContact NZ-OE2 3.3Å
282V98.5Very high96Very high1 Ų134.5 Ų34.51%0.00620%0.198CC..EExtended strand (participates in β ladder)trans-133.4156.1-175.7-60.40000110.9V295 A328 G329 F398 E399 V400V282-V295 HydrophobicContact CG1-CB 4.17Å; V282-V295 HydrophobicContact CG1-CG2 3.43Å; V282-V295 VanDerWaalsContact CG1-CG2 3.43Å; V282-A328 HydrophobicContact CB-CB 4.32Å; V282-A328 HydrophobicContact CG1-CB 4.26Å; V282-A328 HydrophobicContact CG2-CB 4.16Å; V282-G329 CarbonylContact C-O 3.57Å; V282-G329 WeakPolarHBondContact CA-O 3.15Å; V282-G329 WeakPolarHBondContact CB-O 3.44Å; V282-F398 PolarHBondContact N-O 2.84Å; V282-E399 HydrophobicContact CG2-CB 4.14Å; V282-E399 WeakPolarHBondContact O-CA 3.26Å; V282-V400 PolarHBondContact O-N 2.96Å
283V97.6Very high95.8Very high0 Ų033.3 Ų33.30%019%0.192CC..EExtended strand (participates in β ladder)trans-116157.3166.4-64.10000109K285 N327 G329 I331 V400 R402 F406V283-K285 PolarHBondContact O-N 3.09Å; V283-N327 VanDerWaalsContact O-O 3.12Å; V283-G329 PolarHBondContact N-O 3.3Å; V283-G329 WeakPolarHBondContact O-CA 3.17Å; V283-G329 PolarHBondContact O-N 2.89Å; V283-I331 HydrophobicContact CB-CG2 4.18Å; V283-I331 HydrophobicContact CG1-CD1 4.32Å; V283-I331 HydrophobicContact CG1-CG2 3.79Å; V283-I331 HydrophobicContact CG2-CG2 3.51Å; V283-V400 HydrophobicContact CG1-CG2 3.91Å; V283-R402 HydrophobicContact CB-CB 4.28Å; V283-R402 HydrophobicContact CG1-CB 4.19Å; V283-F406 HydrophobicContact CG1-CB 3.89Å; V283-F406 HydrophobicContact CG2-CD1 4.06Å
284E96Very high95.7Very high83 Ų8329.1 Ų29.139%0.38817%0.17SC..EExtended strand (participates in β ladder)trans-60.5125.1169-171.2166.1-164.400109.9A286 N327 R402E284-A286 PolarHBondContact O-N 3.23Å; E284-N327 CarbonylContact C-O 3.49Å; E284-N327 WeakPolarHBondContact CA-O 3.34Å; E284-N327 HydrophobicContact CG-CB 4.3Å; E284-R402 PolarHBondContact O-NH2 3.09Å
285K94.9Very high95.7Very high7 Ų725.5 Ų25.53%0.0315%0.153CC..  trans-64.3121.9175-170.2178.4179.7179.50108.7V283 Y287 P288 E290 V292 V294 L324 N327V283-K285 PolarHBondContact O-N 3.09Å; K285-Y287 WeakPolarHBondContact CE-O 3.36Å; K285-P288 WeakPolarHBondContact CE-O 3.14Å; K285-P288 PolarHBondContact NZ-O 2.92Å; K285-E290 WeakPolarHBondContact CA-OE2 3.45Å; K285-E290 HydrophobicContact CG-CB 4Å; K285-E290 WeakPolarHBondContact CG-OE2 3.29Å; K285-V292 HydrophobicContact CD-CG2 4.3Å; K285-V292 HydrophobicContact CG-CG2 3.99Å; K285-V294 HydrophobicContact CD-CG2 4.2Å; K285-L324 HydrophobicContact CB-CD1 4.21Å; K285-L324 HydrophobicContact CD-CD1 4.21Å; K285-L324 HydrophobicContact CG-CD1 4.18Å; K285-N327 WeakPolarHBondContact CB-O 3.42Å; K285-N327 PolarHBondContact N-O 3.32Å
286A90Very high95.7Very high67 Ų6723.1 Ų23.155%0.55413%0.128SC*.SBendtrans-75.1-33-168.200000113E284 E290E284-A286 PolarHBondContact O-N 3.23Å; A286-E290 PolarHBondContact N-OE2 3.1Å
287Y92.6Very high95.6Very high62 Ų6224.7 Ų24.724%0.24314%0.135CC..SBendtrans-155.7156.3179.251.1-84.8000110.2K285 E289 E290 R417K285-Y287 WeakPolarHBondContact CE-O 3.36Å; Y287-E289 VanDerWaalsContact C-N 3.27Å; Y287-E289 HydrophobicContact CD2-CB 4.23Å; Y287-E289 HydrophobicContact CE2-CB 4.42Å; Y287-E289 PolarHBondContact O-N 2.79Å; Y287-E289 VanDerWaalsContact O-N 3.17Å; Y287-E290 HydrophobicContact CD1-CB 4.35Å; Y287-E290 HydrophobicContact CD2-CB 4.05Å; Y287-E290 VanDerWaalsContact CD2-N 3.3Å; Y287-E290 HydrophobicContact CE1-CB 4.04Å; Y287-E290 HydrophobicContact CE1-CG 4.16Å; Y287-E290 HydrophobicContact CE2-CB 3.75Å; Y287-E290 HydrophobicContact CE2-CG 4.45Å; Y287-E290 HydrophobicContact CG-CB 4.32Å; Y287-E290 WeakPolarHBondContact O-CB 3.29Å; Y287-E290 PolarHBondContact O-N 2.8Å; Y287-E290 VanDerWaalsContact O-N 3.08Å; Y287-R417 PolarHBondContact OH-NH1 2.87Å
288P93.6Very high95.4Very high21 Ų2123.8 Ų23.814%0.13613%0.13CC..THydrogen-bonded Turntrans-53.4-38.3-174.1-27.334.1000114.7K285 E290 A315 Q316 L324K285-P288 WeakPolarHBondContact CE-O 3.14Å; K285-P288 PolarHBondContact NZ-O 2.92Å; P288-E290 VanDerWaalsContact C-N 3.34Å; P288-E290 PolarHBondContact O-N 2.89Å; P288-A315 HydrophobicContact CB-CB 4.33Å; P288-A315 WeakPolarHBondContact CB-O 3.45Å; P288-Q316 HydrophobicContact CB-CG 3.77Å; P288-Q316 HydrophobicContact CG-CG 3.94Å; P288-L324 HydrophobicContact CG-CD2 3.9Å
289E92.4Very high95.2Very high121 Ų12128.5 Ų28.557%0.56516%0.155SC*.THydrogen-bonded Turntrans-90.58.7-176.2-54.675.2-163.500113.7Y287Y287-E289 VanDerWaalsContact C-N 3.27Å; Y287-E289 HydrophobicContact CD2-CB 4.23Å; Y287-E289 HydrophobicContact CE2-CB 4.42Å; Y287-E289 PolarHBondContact O-N 2.79Å; Y287-E289 VanDerWaalsContact O-N 3.17Å
290E91.9Very high94.9Very high9 Ų930.7 Ų30.74%0.04218%0.178CC..  trans-59.2129.2177.8-171.5-173.4178.800110K285 A286 Y287 P288 V292 R402K285-E290 WeakPolarHBondContact CA-OE2 3.45Å; K285-E290 HydrophobicContact CG-CB 4Å; K285-E290 WeakPolarHBondContact CG-OE2 3.29Å; A286-E290 PolarHBondContact N-OE2 3.1Å; Y287-E290 HydrophobicContact CD1-CB 4.35Å; Y287-E290 HydrophobicContact CD2-CB 4.05Å; Y287-E290 VanDerWaalsContact CD2-N 3.3Å; Y287-E290 HydrophobicContact CE1-CB 4.04Å; Y287-E290 HydrophobicContact CE1-CG 4.16Å; Y287-E290 HydrophobicContact CE2-CB 3.75Å; Y287-E290 HydrophobicContact CE2-CG 4.45Å; Y287-E290 HydrophobicContact CG-CB 4.32Å; Y287-E290 WeakPolarHBondContact O-CB 3.29Å; Y287-E290 PolarHBondContact O-N 2.8Å; Y287-E290 VanDerWaalsContact O-N 3.08Å; P288-E290 VanDerWaalsContact C-N 3.34Å; P288-E290 PolarHBondContact O-N 2.89Å; E290-V292 HydrophobicContact CB-CG2 4.15Å; E290-V292 HydrophobicContact CG-CG1 4.07Å; E290-V292 HydrophobicContact CG-CG2 3.84Å; E290-V292 PolarHBondContact O-N 2.82Å; E290-R402 VanDerWaalsContact CD-NH2 3.27Å; E290-R402 IonicContact OE1-CZ 3.71Å; E290-R402 IonicContact OE1-NH1 2.8Å; E290-R402 PolarHBondContact OE1-NH1 3.08Å; E290-R402 IonicContact OE1-NH2 3.72Å; E290-R402 PolarHBondContact OE1-NH2 3.36Å; E290-R402 IonicContact OE2-CZ 3.34Å; E290-R402 IonicContact OE2-NH2 3.95Å; E290-R402 PolarHBondContact OE2-NH2 3.14Å
291P90.4Very high94.8Very high65 Ų6533 Ų3342%0.42219%0.192SC..SBendtrans-78.557.1-175.234.5-37.8000111.8Y307P291-Y307 HydrophobicContact CB-CD1 4.15Å; P291-Y307 HydrophobicContact CB-CD2 4.21Å; P291-Y307 HydrophobicContact CB-CE1 4.13Å; P291-Y307 HydrophobicContact CB-CE2 4.22Å; P291-Y307 HydrophobicContact CB-CG 4.19Å
292V92.4Very high94.7Very high13 Ų1334.1 Ų34.18%0.07920%0.199CC..  trans-124.4133175.1-65.10000108.8K285 E290K285-V292 HydrophobicContact CD-CG2 4.3Å; K285-V292 HydrophobicContact CG-CG2 3.99Å; E290-V292 HydrophobicContact CB-CG2 4.15Å; E290-V292 HydrophobicContact CG-CG1 4.07Å; E290-V292 HydrophobicContact CG-CG2 3.84Å; E290-V292 PolarHBondContact O-N 2.82Å
293G94.6Very high94.6Very high3 Ų336 Ų363%0.03121%0.208CC..  trans-61.3147.7169.400000110.7V305 N330G293-V305 CarbonylContact C-O 3.27Å; G293-V305 VanDerWaalsContact CA-O 3.28Å; G293-V305 WeakPolarHBondContact CA-O 3.39Å; G293-N330 WeakPolarHBondContact O-CB 3.33Å; G293-N330 PolarHBondContact O-N 3.5Å
294V96.7Very high94.5Very high2 Ų236.4 Ų36.41%0.01221%0.211CC..EExtended strand (participates in β ladder)trans-105.2126.9-179.1-172.40000109.4K285 C296 V304 V305 A328K285-V294 HydrophobicContact CD-CG2 4.2Å; V294-C296 PolarHBondContact O-N 3.12Å; V294-V304 WeakPolarHBondContact O-CA 3.43Å; V294-V305 PolarHBondContact N-O 3.09Å; V294-V305 PolarHBondContact O-N 3.47Å; V294-A328 WeakPolarHBondContact CA-O 3.42Å
295V98.1Very high94.4Very high2 Ų232.8 Ų32.81%0.01219%0.194CC..EExtended strand (participates in β ladder)trans-75.7121.3171.9-168.40000108.9L74 A280 V282 V304 A328 N330 F395L74-V295 HydrophobicContact CD1-CB 4.4Å; L74-V295 HydrophobicContact CD1-CG1 3.72Å; L74-V295 HydrophobicContact CG-CG1 4.39Å; A280-V295 HydrophobicContact CB-CG2 4.29Å; V282-V295 HydrophobicContact CG1-CB 4.17Å; V282-V295 HydrophobicContact CG1-CG2 3.43Å; V282-V295 VanDerWaalsContact CG1-CG2 3.43Å; V295-V304 HydrophobicContact CG2-CG2 4.1Å; V295-A328 HydrophobicContact CB-CB 4.19Å; V295-A328 PolarHBondContact N-O 3.35Å; V295-N330 HydrophobicContact CG2-CB 4.03Å; V295-F395 HydrophobicContact CG1-CE1 3.73Å; V295-F395 HydrophobicContact CG1-CZ 3.71Å
296C96.7Very high94.1Very high1 Ų133.8 Ų33.81%0.00720%0.199CC..EExtended strand (participates in β ladder)trans-153.8-173.4-174.560.50000111L71 R72 V294 P302 Q303 Y326L71-C296 HydrophobicContact CD1-CB 4.25Å; L71-C296 WeakPolarHBondContact CD1-SG 3.07Å; R72-C296 WeakPolarHBondContact O-CB 3.27Å; V294-C296 PolarHBondContact O-N 3.12Å; C296-P302 WeakPolarHBondContact O-CA 3.14Å; C296-Q303 PolarHBondContact N-O 2.54Å; C296-Q303 PolarHBondContact O-N 3.49Å; C296-Q303 VanDerWaalsContact O-O 3.08Å; C296-Y326 HydrophobicContact CB-CD1 4.28Å; C296-Y326 HydrophobicContact CB-CE1 4.43Å
297Q96.8Very high93.9Very high38 Ų3836.3 Ų36.318%0.17820%0.195CC..EExtended strand (participates in β ladder)trans-110.3140.6167.4-60.9-175.3-46.300110.5L71 R72 L74 G300 V301L71-Q297 CarbonylContact C-O 3.54Å; L71-Q297 WeakPolarHBondContact CA-O 3.36Å; R72-Q297 HydrophobicContact CB-CB 4.4Å; R72-Q297 PolarHBondContact N-O 3.38Å; R72-Q297 PolarHBondContact O-N 2.98Å; L74-Q297 HydrophobicContact CD2-CG 4.01Å; Q297-G300 PolarHBondContact NE2-O 2.96Å; Q297-V301 VanDerWaalsContact CA-O 3.27Å; Q297-V301 WeakPolarHBondContact CA-O 3.45Å
298V94.6Very high93.4Very high5 Ų537 Ų373%0.0321%0.209CC..EExtended strand (participates in β ladder)trans-122.3123.5161.9-171.60000106.8L67 R70 L71 G300 V301 Q303 V305L67-V298 HydrophobicContact CD1-CG1 3.88Å; L67-V298 HydrophobicContact CD1-CG2 3.81Å; R70-V298 HydrophobicContact CB-CG1 3.71Å; L71-V298 HydrophobicContact CD1-CG2 3.81Å; V298-G300 PolarHBondContact O-N 2.97Å; V298-V301 PolarHBondContact N-O 3.03Å; V298-V301 PolarHBondContact O-N 2.79Å; V298-V301 VanDerWaalsContact O-N 3.07Å; V298-Q303 HydrophobicContact CB-CG 4.43Å; V298-Q303 VanDerWaalsContact CB-NE2 3.35Å; V298-Q303 HydrophobicContact CG2-CG 4.28Å; V298-Q303 PolarHBondContact O-NE2 3.46Å; V298-Q303 VanDerWaalsContact O-NE2 3.14Å; V298-V305 HydrophobicContact CG2-CG2 4.08Å
299D94.4Very high92.9Very high98 Ų9838.4 Ų38.452%0.52421%0.214SC..THydrogen-bonded Turntrans53.438.9-171.2-51.1-39.9000113.5R70 V301R70-D299 WeakPolarHBondContact CB-OD1 3.46Å; R70-D299 VanDerWaalsContact CG-OD1 3.25Å; R70-D299 WeakPolarHBondContact CG-OD1 3.46Å; R70-D299 IonicContact CZ-OD1 2.65Å; R70-D299 IonicContact CZ-OD2 3.44Å; R70-D299 VanDerWaalsContact NE-CG 3.28Å; R70-D299 IonicContact NE-OD1 2.74Å; R70-D299 PolarHBondContact NE-OD1 3.16Å; R70-D299 IonicContact NE-OD2 2.94Å; R70-D299 PolarHBondContact NE-OD2 3.13Å; R70-D299 IonicContact NH2-OD2 3.71Å; R70-D299 PolarHBondContact NH2-OD2 3.4Å; R70-D299 PolarHBondContact O-N 2.84Å; D299-V301 PolarHBondContact O-N 3.32Å
300G94.4Very high92.6Very high47 Ų4733.4 Ų33.449%0.48519%0.191SC..THydrogen-bonded Turntrans74.7-0.7-178.800000114.9Q297 V298Q297-G300 PolarHBondContact NE2-O 2.96Å; V298-G300 PolarHBondContact O-N 2.97Å
301V96.3Very high92.5Very high49 Ų4934.2 Ų34.230%0.29720%0.197SC..EExtended strand (participates in β ladder)trans-97.9128-179.6-179.60000110.4Q297 V298 D299 Q303 R390Q297-V301 VanDerWaalsContact CA-O 3.27Å; Q297-V301 WeakPolarHBondContact CA-O 3.45Å; V298-V301 PolarHBondContact N-O 3.03Å; V298-V301 PolarHBondContact O-N 2.79Å; V298-V301 VanDerWaalsContact O-N 3.07Å; D299-V301 PolarHBondContact O-N 3.32Å; V301-Q303 WeakPolarHBondContact O-CG 3.45Å; V301-Q303 PolarHBondContact O-NE2 2.93Å; V301-R390 VanDerWaalsContact CG1-CA 3.44Å; V301-R390 HydrophobicContact CG1-CB 3.48Å; V301-R390 VanDerWaalsContact CG1-CB 3.48Å
302P96.9Very high92.5Very high22 Ų2235.3 Ų35.314%0.14320%0.204CC..EExtended strand (participates in β ladder)trans-65.3130.8178.3-19.131.1000113C296 F389 R390 F395C296-P302 WeakPolarHBondContact O-CA 3.14Å; P302-F389 CarbonylContact O-C 3.57Å; P302-F389 VanDerWaalsContact O-C 3.27Å; P302-R390 VanDerWaalsContact O-CA 3.31Å; P302-R390 WeakPolarHBondContact O-CA 3.29Å; P302-R390 PolarHBondContact O-N 3.13Å; P302-R390 VanDerWaalsContact O-N 3.08Å; P302-F395 HydrophobicContact CB-CB 3.95Å; P302-F395 HydrophobicContact CB-CD1 3.58Å; P302-F395 HydrophobicContact CB-CD2 4.25Å; P302-F395 HydrophobicContact CB-CE1 4.12Å; P302-F395 HydrophobicContact CB-CG 3.64Å; P302-F395 HydrophobicContact CG-CB 3.7Å; P302-F395 HydrophobicContact CG-CD1 4.05Å; P302-F395 HydrophobicContact CG-CG 3.98Å
303Q95.4Very high92.5Very high40 Ų4040.7 Ų40.719%0.18723%0.233CC..EExtended strand (participates in β ladder)trans-155.5169.6-179-1.5-164.1-0.500109.8C296 V298 V301C296-Q303 PolarHBondContact N-O 2.54Å; C296-Q303 PolarHBondContact O-N 3.49Å; C296-Q303 VanDerWaalsContact O-O 3.08Å; V298-Q303 HydrophobicContact CB-CG 4.43Å; V298-Q303 VanDerWaalsContact CB-NE2 3.35Å; V298-Q303 HydrophobicContact CG2-CG 4.28Å; V298-Q303 PolarHBondContact O-NE2 3.46Å; V298-Q303 VanDerWaalsContact O-NE2 3.14Å; V301-Q303 WeakPolarHBondContact O-CG 3.45Å; V301-Q303 PolarHBondContact O-NE2 2.93Å
304V96.3Very high92.4Very high10 Ų1041 Ų416%0.06123%0.234CC..EExtended strand (participates in β ladder)trans-104126.9164.5177.20000107.5V294 V295 N330 F386 F389V294-V304 WeakPolarHBondContact O-CA 3.43Å; V295-V304 HydrophobicContact CG2-CG2 4.1Å; V304-N330 HydrophobicContact CG1-CB 4.25Å; V304-N330 HydrophobicContact CG2-CB 4.33Å; V304-F386 HydrophobicContact CB-CB 4.3Å; V304-F386 HydrophobicContact CB-CD2 3.5Å; V304-F386 VanDerWaalsContact CB-CD2 3.5Å; V304-F386 HydrophobicContact CB-CE2 3.87Å; V304-F386 HydrophobicContact CB-CG 3.84Å; V304-F386 HydrophobicContact CG1-CD2 4.1Å; V304-F386 HydrophobicContact CG1-CE2 4.04Å; V304-F386 HydrophobicContact CG1-CG 4.35Å; V304-F386 HydrophobicContact CG1-CZ 4.26Å; V304-F386 HydrophobicContact CG2-CB 3.73Å; V304-F386 HydrophobicContact CG2-CD1 4.42Å; V304-F386 HydrophobicContact CG2-CD2 3.92Å; V304-F386 HydrophobicContact CG2-CG 3.75Å; V304-F389 HydrophobicContact CG2-CD2 3.88Å; V304-F389 HydrophobicContact CG2-CE2 3.62Å
305V92.8Very high92.3Very high7 Ų741.4 Ų41.44%0.04224%0.237CC..EExtended strand (participates in β ladder)trans-96.7118.3167.3174.40000107.4L67 L71 G293 V294 V298 E309 I310L67-V305 HydrophobicContact CD2-CG1 4.01Å; L71-V305 HydrophobicContact CD1-CG2 3.77Å; G293-V305 CarbonylContact C-O 3.27Å; G293-V305 VanDerWaalsContact CA-O 3.28Å; G293-V305 WeakPolarHBondContact CA-O 3.39Å; V294-V305 PolarHBondContact N-O 3.09Å; V294-V305 PolarHBondContact O-N 3.47Å; V298-V305 HydrophobicContact CG2-CG2 4.08Å; V305-E309 HydrophobicContact CG1-CB 4.03Å; V305-I310 HydrophobicContact CG1-CB 4.16Å
306E89.9Confident92.1Very high27 Ų2746 Ų4613%0.12626%0.259CS..  trans-66.8152.2-179-85.3-59.2149.600111.8S308 E309 I310 F384 F386E306-S308 PolarHBondContact O-N 3.39Å; E306-S308 VanDerWaalsContact O-N 3.1Å; E306-E309 HydrophobicContact CB-CG 4.26Å; E306-E309 PolarHBondContact O-N 2.87Å; E306-I310 PolarHBondContact O-N 3.06Å; E306-F384 HydrophobicContact CG-CD2 4.3Å; E306-F384 HydrophobicContact CG-CE2 3.99Å; E306-F386 HydrophobicContact CG-CE2 4.36Å; E306-F386 HydrophobicContact CG-CZ 3.9Å; E306-F386 WeakPolarHBondContact OE1-CE1 3.25Å; E306-F386 WeakPolarHBondContact OE1-CZ 3.44Å
307Y84.5Confident92.1Very high121 Ų12149.7 Ų49.748%0.47528%0.278SS..THydrogen-bonded Turntrans-61.9-23.4-176.368.1-91.2000112.7P291 E309P291-Y307 HydrophobicContact CB-CD1 4.15Å; P291-Y307 HydrophobicContact CB-CD2 4.21Å; P291-Y307 HydrophobicContact CB-CE1 4.13Å; P291-Y307 HydrophobicContact CB-CE2 4.22Å; P291-Y307 HydrophobicContact CB-CG 4.19Å; Y307-E309 VanDerWaalsContact C-N 3.31Å
308S82.5Confident92Very high77 Ų7755.5 Ų55.554%0.53830%0.298SS..THydrogen-bonded Turntrans-78.8-11.6174.7510000114E306E306-S308 PolarHBondContact O-N 3.39Å; E306-S308 VanDerWaalsContact O-N 3.1Å
309E83.6Confident92Very high49 Ų4956.9 Ų56.923%0.22931%0.31CS..THydrogen-bonded Turntrans-107.8-15.5-175.5-59.2-177.9174.800113.1P63 V305 E306 Y307 H355P63-E309 WeakPolarHBondContact CA-O 3.47Å; V305-E309 HydrophobicContact CG1-CB 4.03Å; E306-E309 HydrophobicContact CB-CG 4.26Å; E306-E309 PolarHBondContact O-N 2.87Å; Y307-E309 VanDerWaalsContact C-N 3.31Å; E309-H355 IonicContact OE1-CE1 3.65Å; E309-H355 IonicContact OE1-ND1 2.91Å
310I86.4Confident91.8Very high17 Ų1758.7 Ų58.79%0.08733%0.33CS..SBendtrans-85.7137.3175.7-165.1167.9000110.7L71 V305 E306 T314 A315L71-I310 HydrophobicContact CD2-CD1 4.43Å; V305-I310 HydrophobicContact CG1-CB 4.16Å; E306-I310 PolarHBondContact O-N 3.06Å; I310-T314 HydrophobicContact CD1-CG2 4.03Å; I310-T314 HydrophobicContact CG1-CG2 3.94Å; I310-A315 HydrophobicContact CD1-CB 4.24Å; I310-A315 HydrophobicContact CG1-CB 4.37Å; I310-A315 HydrophobicContact CG2-CB 4.33Å
311S89.5Confident91.6Very high25 Ų2562.1 Ų62.118%0.17534%0.337CS..  trans-73.6151.3175.370.90000111.3D313 T314 A315S311-D313 VanDerWaalsContact C-N 3.27Å; S311-D313 PolarHBondContact O-N 3.13Å; S311-T314 PolarHBondContact O-N 3.46Å; S311-T314 VanDerWaalsContact O-N 3.16Å; S311-T314 WeakPolarHBondContact OG-CB 3.15Å; S311-T314 PolarHBondContact OG-N 3.06Å; S311-T314 PolarHBondContact OG-OG1 2.81Å; S311-A315 WeakPolarHBondContact O-CB 3.49Å; S311-A315 PolarHBondContact O-N 2.97Å
312P90.6Very high91.4Very high88 Ų8861.6 Ų61.657%0.57134%0.342SS*.Hα-helixtrans-53.9-43.6175.3-27.335.5000112.8T314 A315 Q316P312-T314 VanDerWaalsContact C-N 3.34Å; P312-T314 PolarHBondContact O-N 3.01Å; P312-A315 PolarHBondContact O-N 3.33Å; P312-Q316 VanDerWaalsContact O-CG 3.31Å; P312-Q316 WeakPolarHBondContact O-CG 3.29Å; P312-Q316 PolarHBondContact O-N 3.39Å
313D92.3Very high91.2Very high127 Ų12761.4 Ų61.468%0.67934%0.344SS*.Hα-helixtrans-60.7-43.1179.5-62.1-18000111.7S311 Q316 L317S311-D313 VanDerWaalsContact C-N 3.27Å; S311-D313 PolarHBondContact O-N 3.13Å; D313-Q316 PolarHBondContact O-N 2.99Å; D313-L317 PolarHBondContact O-N 2.91Å
314T92.8Very high91.2Very high10 Ų1060.2 Ų60.26%0.06134%0.339CS..Hα-helixtrans-70.1-38.3178.8-60.50000111.5A68 L71 I310 S311 P312 Q316 L317 Y326A68-T314 WeakPolarHBondContact CB-OG1 3.48Å; L71-T314 HydrophobicContact CD2-CG2 3.52Å; I310-T314 HydrophobicContact CD1-CG2 4.03Å; I310-T314 HydrophobicContact CG1-CG2 3.94Å; S311-T314 PolarHBondContact O-N 3.46Å; S311-T314 VanDerWaalsContact O-N 3.16Å; S311-T314 WeakPolarHBondContact OG-CB 3.15Å; S311-T314 PolarHBondContact OG-N 3.06Å; S311-T314 PolarHBondContact OG-OG1 2.81Å; P312-T314 VanDerWaalsContact C-N 3.34Å; P312-T314 PolarHBondContact O-N 3.01Å; T314-Q316 PolarHBondContact O-N 3.03Å; T314-L317 HydrophobicContact CG2-CD1 4.33Å; T314-L317 WeakPolarHBondContact O-CB 3.32Å; T314-L317 PolarHBondContact O-N 2.94Å; T314-Y326 HydrophobicContact CG2-CD2 3.95Å; T314-Y326 HydrophobicContact CG2-CE2 3.7Å
315A93.1Very high91.1Very high9 Ų962.3 Ų62.37%0.07435%0.35CS..Hα-helixtrans-65.5-26.1177.400000113.2P288 I310 S311 P312P288-A315 HydrophobicContact CB-CB 4.33Å; P288-A315 WeakPolarHBondContact CB-O 3.45Å; I310-A315 HydrophobicContact CD1-CB 4.24Å; I310-A315 HydrophobicContact CG1-CB 4.37Å; I310-A315 HydrophobicContact CG2-CB 4.33Å; S311-A315 WeakPolarHBondContact O-CB 3.49Å; S311-A315 PolarHBondContact O-N 2.97Å; P312-A315 PolarHBondContact O-N 3.33Å
316Q95.4Very high91.3Very high99 Ų9962.6 Ų62.646%0.46335%0.35SS..THydrogen-bonded Turntrans-89.8-7.3179.5-70.2178.37.600114.2P288 P312 D313 T314 R318P288-Q316 HydrophobicContact CB-CG 3.77Å; P288-Q316 HydrophobicContact CG-CG 3.94Å; P312-Q316 VanDerWaalsContact O-CG 3.31Å; P312-Q316 WeakPolarHBondContact O-CG 3.29Å; P312-Q316 PolarHBondContact O-N 3.39Å; D313-Q316 PolarHBondContact O-N 2.99Å; T314-Q316 PolarHBondContact O-N 3.03Å; Q316-R318 PolarHBondContact O-N 2.87Å
317L95.3Very high91.5Very high78 Ų7862.8 Ų62.841%0.40835%0.352SS..  trans-57.6139.9178.1-70.2175.4000110.9D313 T314 L325 Y326D313-L317 PolarHBondContact O-N 2.91Å; T314-L317 HydrophobicContact CG2-CD1 4.33Å; T314-L317 WeakPolarHBondContact O-CB 3.32Å; T314-L317 PolarHBondContact O-N 2.94Å; L317-L325 HydrophobicContact CB-CB 3.93Å; L317-L325 HydrophobicContact CB-CD2 4.03Å; L317-L325 HydrophobicContact CD1-CD2 4.15Å; L317-L325 PolarHBondContact O-N 2.81Å; L317-Y326 HydrophobicContact CD1-CE2 4.08Å
318R96Very high92.1Very high161 Ų16157.7 Ų57.761%0.60834%0.335SS*.BIsolated β-bridgetrans-115.5145.9-179-64.5-175-179.8-82.6-5111.7Q316 G322 G323Q316-R318 PolarHBondContact O-N 2.87Å; R318-G322 PolarHBondContact NH1-O 3.23Å; R318-G323 CarbonylContact C-O 3.46Å; R318-G323 WeakPolarHBondContact CA-O 3.35Å; R318-G323 WeakPolarHBondContact CB-O 3.32Å
319A92.8Very high92.8Very high33 Ų3354 Ų5427%0.27331%0.31SS..  trans-79.1174.5168.800000110.9D321 G322 G323 L325A319-D321 WeakPolarHBondContact CB-OD1 3.3Å; A319-D321 PolarHBondContact O-N 3.37Å; A319-G322 PolarHBondContact O-N 2.82Å; A319-G323 PolarHBondContact N-O 2.97Å; A319-L325 HydrophobicContact CB-CD1 4.36Å
320S91.4Very high93.5Very high137 Ų13752.4 Ų52.496%0.95830%0.302SS*.THydrogen-bonded Turntrans-64.1-22-179.149.50000114G322S320-G322 VanDerWaalsContact C-N 3.29Å
321D89.2Confident94.1Very high118 Ų11851.9 Ų51.963%0.63130%0.3SS*.THydrogen-bonded Turntrans-84.80.1175.964.62000113.4A319 G323A319-D321 WeakPolarHBondContact CB-OD1 3.3Å; A319-D321 PolarHBondContact O-N 3.37Å; D321-G323 VanDerWaalsContact C-N 3.28Å; D321-G323 PolarHBondContact O-N 2.85Å; D321-G323 PolarHBondContact OD1-N 2.87Å
322G92.1Very high94.4Very high39 Ų3951.6 Ų51.640%0.40230%0.298SS..SBendtrans84.8-8.7-178.200000114.7R318 A319 S320R318-G322 PolarHBondContact NH1-O 3.23Å; A319-G322 PolarHBondContact O-N 2.82Å; S320-G322 VanDerWaalsContact C-N 3.29Å
323G92.5Very high94.8Very high18 Ų1847.5 Ų47.519%0.18627%0.271CS..SBendtrans-68.4168.9172.100000112.2R318 A319 D321R318-G323 CarbonylContact C-O 3.46Å; R318-G323 WeakPolarHBondContact CA-O 3.35Å; R318-G323 WeakPolarHBondContact CB-O 3.32Å; A319-G323 PolarHBondContact N-O 2.97Å; D321-G323 VanDerWaalsContact C-N 3.28Å; D321-G323 PolarHBondContact O-N 2.85Å; D321-G323 PolarHBondContact OD1-N 2.87Å
324L95.9Very high95.1Very high15 Ų1541.5 Ų41.58%0.07924%0.239CC..BIsolated β-bridgetrans-66.5136.1173.6-62.4177.5000109.8K285 P288 Y326 N327K285-L324 HydrophobicContact CB-CD1 4.21Å; K285-L324 HydrophobicContact CD-CD1 4.21Å; K285-L324 HydrophobicContact CG-CD1 4.18Å; P288-L324 HydrophobicContact CG-CD2 3.9Å; L324-Y326 VanDerWaalsContact C-N 3.27Å; L324-Y326 PolarHBondContact O-N 3.48Å; L324-N327 HydrophobicContact CB-CB 4.07Å; L324-N327 WeakPolarHBondContact O-CB 3.4Å
325L95.4Very high95.4Very high53 Ų5341 Ų4128%0.27724%0.236SC..SBendtrans-63.9-38.5176.8-178.862.7000111.1P73 L317 A319P73-L325 HydrophobicContact CG-CD1 4.21Å; L317-L325 HydrophobicContact CB-CB 3.93Å; L317-L325 HydrophobicContact CB-CD2 4.03Å; L317-L325 HydrophobicContact CD1-CD2 4.15Å; L317-L325 PolarHBondContact O-N 2.81Å; A319-L325 HydrophobicContact CB-CD1 4.36Å
326Y95.3Very high95.7Very high13 Ų1340.6 Ų40.65%0.05123%0.232CC..SBendtrans-106.575.4175.9-63.3-71.1000109.2L71 C296 T314 L317 L324L71-Y326 HydrophobicContact CB-CE1 4.34Å; L71-Y326 HydrophobicContact CD2-CD1 3.81Å; L71-Y326 HydrophobicContact CD2-CD2 3.96Å; L71-Y326 HydrophobicContact CD2-CE1 3.4Å; L71-Y326 VanDerWaalsContact CD2-CE1 3.4Å; L71-Y326 HydrophobicContact CD2-CE2 3.57Å; L71-Y326 HydrophobicContact CD2-CG 4.07Å; L71-Y326 HydrophobicContact CG-CD1 4.22Å; L71-Y326 HydrophobicContact CG-CE1 3.49Å; L71-Y326 VanDerWaalsContact CG-CE1 3.49Å; L71-Y326 HydrophobicContact CG-CE2 4.36Å; L71-Y326 PolarHBondContact O-OH 2.61Å; C296-Y326 HydrophobicContact CB-CD1 4.28Å; C296-Y326 HydrophobicContact CB-CE1 4.43Å; T314-Y326 HydrophobicContact CG2-CD2 3.95Å; T314-Y326 HydrophobicContact CG2-CE2 3.7Å; L317-Y326 HydrophobicContact CD1-CE2 4.08Å; L324-Y326 VanDerWaalsContact C-N 3.27Å; L324-Y326 PolarHBondContact O-N 3.48Å
327N95.2Very high95.9Very high31 Ų3137.1 Ų37.117%0.16622%0.218CC..  trans-103.2-6.8-174.170.1-17.1000115V283 E284 K285 L324 G329V283-N327 VanDerWaalsContact O-O 3.12Å; E284-N327 CarbonylContact C-O 3.49Å; E284-N327 WeakPolarHBondContact CA-O 3.34Å; E284-N327 HydrophobicContact CG-CB 4.3Å; K285-N327 WeakPolarHBondContact CB-O 3.42Å; K285-N327 PolarHBondContact N-O 3.32Å; L324-N327 HydrophobicContact CB-CB 4.07Å; L324-N327 WeakPolarHBondContact O-CB 3.4Å; N327-G329 VanDerWaalsContact C-N 3.32Å; N327-G329 PolarHBondContact O-N 3.08Å
328A97.2Very high96Very high15 Ų1536.2 Ų36.212%0.12421%0.209CC..EExtended strand (participates in β ladder)trans-77.578.5-177.400000111.4V282 V294 V295 N330V282-A328 HydrophobicContact CB-CB 4.32Å; V282-A328 HydrophobicContact CG1-CB 4.26Å; V282-A328 HydrophobicContact CG2-CB 4.16Å; V294-A328 WeakPolarHBondContact CA-O 3.42Å; V295-A328 HydrophobicContact CB-CB 4.19Å; V295-A328 PolarHBondContact N-O 3.35Å; A328-N330 PolarHBondContact O-N 2.83Å
329G97.8Very high96.1Very high0 Ų030.9 Ų30.90%020%0.204CC..EExtended strand (participates in β ladder)trans-70.3117.9-179.300000112V282 V283 N327 I331V282-G329 CarbonylContact C-O 3.57Å; V282-G329 WeakPolarHBondContact CA-O 3.15Å; V282-G329 WeakPolarHBondContact CB-O 3.44Å; V283-G329 PolarHBondContact N-O 3.3Å; V283-G329 WeakPolarHBondContact O-CA 3.17Å; V283-G329 PolarHBondContact O-N 2.89Å; N327-G329 VanDerWaalsContact C-N 3.32Å; N327-G329 PolarHBondContact O-N 3.08Å; G329-I331 PolarHBondContact O-N 3.49Å
330N98.1Very high96.4Very high14 Ų1429.7 Ų29.78%0.07519%0.193CC..EExtended strand (participates in β ladder)trans-67.9121.9177.4175.233.2000110.8G293 V295 V304 A328 C332 H334 F386G293-N330 WeakPolarHBondContact O-CB 3.33Å; G293-N330 PolarHBondContact O-N 3.5Å; V295-N330 HydrophobicContact CG2-CB 4.03Å; V304-N330 HydrophobicContact CG1-CB 4.25Å; V304-N330 HydrophobicContact CG2-CB 4.33Å; A328-N330 PolarHBondContact O-N 2.83Å; N330-C332 PolarHBondContact OD1-N 3.4Å; N330-H334 PolarHBondContact OD1-NE2 3.35Å; N330-F386 WeakPolarHBondContact ND2-CD1 3.34Å
331I97.6Very high96.8Very high6 Ų623.1 Ų23.13%0.03115%0.147CC..EExtended strand (participates in β ladder)trans-104.817.1177.961.9161.7000113.2K281 V283 G329 N333 V400 F406K281-I331 HydrophobicContact CB-CD1 4.39Å; K281-I331 HydrophobicContact CB-CG1 4.45Å; K281-I331 HydrophobicContact CD-CD1 4Å; K281-I331 HydrophobicContact CG-CD1 3.95Å; K281-I331 HydrophobicContact CG-CG1 4.47Å; K281-I331 VanDerWaalsContact O-CG1 3.3Å; K281-I331 WeakPolarHBondContact O-CG1 3.43Å; V283-I331 HydrophobicContact CB-CG2 4.18Å; V283-I331 HydrophobicContact CG1-CD1 4.32Å; V283-I331 HydrophobicContact CG1-CG2 3.79Å; V283-I331 HydrophobicContact CG2-CG2 3.51Å; G329-I331 PolarHBondContact O-N 3.49Å; I331-N333 VanDerWaalsContact C-N 3.3Å; I331-N333 HydrophobicContact CD1-CB 4.31Å; I331-N333 HydrophobicContact CG1-CB 4.16Å; I331-N333 PolarHBondContact O-N 3.41Å; I331-N333 PolarHBondContact O-ND2 3.03Å; I331-V400 HydrophobicContact CD1-CG2 4.35Å; I331-F406 HydrophobicContact CB-CD2 3.53Å; I331-F406 HydrophobicContact CB-CE2 3.7Å; I331-F406 HydrophobicContact CB-CG 3.99Å; I331-F406 HydrophobicContact CB-CZ 4.29Å; I331-F406 HydrophobicContact CD1-CB 4.38Å; I331-F406 HydrophobicContact CG2-CB 4.03Å; I331-F406 HydrophobicContact CG2-CD1 3.65Å; I331-F406 HydrophobicContact CG2-CD2 3.51Å; I331-F406 HydrophobicContact CG2-CE1 3.88Å; I331-F406 HydrophobicContact CG2-CE2 3.75Å; I331-F406 HydrophobicContact CG2-CG 3.45Å; I331-F406 VanDerWaalsContact CG2-CG 3.45Å; I331-F406 HydrophobicContact CG2-CZ 3.92Å
332C97.2Very high97.2Very high20 Ų2020.8 Ų20.814%0.13513%0.131CC..EExtended strand (participates in β ladder)trans52.747.2-179.9-162.10000112.4Y253 C254 N330Y253-C332 VanDerWaalsContact CA-O 3.29Å; Y253-C332 WeakPolarHBondContact CA-O 3.22Å; C254-C332 HydrophobicContact CB-CB 4.07Å; C254-C332 PolarHBondContact N-O 2.93Å; N330-C332 PolarHBondContact OD1-N 3.4Å
333N98.6Very high97.5Very high2 Ų220.1 Ų20.11%0.01112%0.122CC..EExtended strand (participates in β ladder)trans-128109.3172.2-83.2-107.5000107.3H251 V252 V260 K281 I331H251-N333 PolarHBondContact NE2-OD1 3.3Å; H251-N333 VanDerWaalsContact NE2-OD1 3.14Å; V252-N333 CarbonylContact O-C 3.58Å; V252-N333 WeakPolarHBondContact O-CA 3.34Å; V260-N333 VanDerWaalsContact CG2-OD1 3.29Å; V260-N333 WeakPolarHBondContact CG2-OD1 3.47Å; K281-N333 HydrophobicContact CB-CB 3.83Å; K281-N333 WeakPolarHBondContact CB-O 3.1Å; K281-N333 HydrophobicContact CD-CB 4.35Å; K281-N333 PolarHBondContact N-O 3.1Å; I331-N333 VanDerWaalsContact C-N 3.3Å; I331-N333 HydrophobicContact CD1-CB 4.31Å; I331-N333 HydrophobicContact CG1-CB 4.16Å; I331-N333 PolarHBondContact O-N 3.41Å; I331-N333 PolarHBondContact O-ND2 3.03Å
334H98.9Very high97.7Very high0 Ų019.3 Ų19.30%011%0.114CC..EExtended strand (participates in β ladder)trans-127.1146.1-168.3-49.9140.4000110.8H251 V252 G279 N330 F336 F389H251-H334 CarbonylContact C-O 3.58Å; H251-H334 WeakPolarHBondContact CA-O 3.37Å; H251-H334 PolarHBondContact CD2-O 3.26Å; V252-H334 HydrophobicContact CB-CB 4.37Å; V252-H334 PolarHBondContact N-O 3.4Å; V252-H334 PolarHBondContact O-N 3.39Å; G279-H334 CarbonylContact O-C 3.49Å; G279-H334 VanDerWaalsContact O-CA 3.24Å; G279-H334 WeakPolarHBondContact O-CA 3.43Å; N330-H334 PolarHBondContact OD1-NE2 3.35Å; H334-F336 HydrophobicContact CB-CE1 4.46Å; H334-F336 HydrophobicContact CB-CE2 3.91Å; H334-F336 HydrophobicContact CB-CZ 3.87Å; H334-F389 AromaticContact CD2-CZ 3.53Å; H334-F389 AromaticContact CG-CZ 3.9Å; H334-F389 AromaticContact NE2-CZ 3.62Å
335F98.9Very high97.7Very high0 Ų019.4 Ų19.40%012%0.115CC..EExtended strand (participates in β ladder)trans-105.3130.9170.7172-83.3000107.9F249 F267 I268 C271 V272 A276 C278 G279 T337F249-F335 HydrophobicContact CB-CE2 3.68Å; F249-F335 HydrophobicContact CB-CZ 4.08Å; F249-F335 HydrophobicContact CD1-CE1 4.24Å; F249-F335 AromaticContact CD1-CE2 3.75Å; F249-F335 HydrophobicContact CD1-CE2 3.75Å; F249-F335 AromaticContact CD1-CZ 3.26Å; F249-F335 HydrophobicContact CD1-CZ 3.26Å; F249-F335 AromaticContact CE1-CZ 3.94Å; F249-F335 HydrophobicContact CE1-CZ 3.94Å; F249-F335 AromaticContact CG-CE2 3.86Å; F249-F335 HydrophobicContact CG-CE2 3.86Å; F249-F335 AromaticContact CG-CZ 3.88Å; F249-F335 HydrophobicContact CG-CZ 3.88Å; F267-F335 HydrophobicContact CE1-CB 3.77Å; F267-F335 HydrophobicContact CE2-CB 4.38Å; F267-F335 HydrophobicContact CZ-CB 3.59Å; I268-F335 HydrophobicContact CG1-CD2 4.45Å; I268-F335 HydrophobicContact CG2-CE2 4.35Å; C271-F335 HydrophobicContact CB-CB 4.32Å; C271-F335 HydrophobicContact CB-CD1 3.62Å; C271-F335 HydrophobicContact CB-CD2 3.71Å; C271-F335 HydrophobicContact CB-CE1 3.68Å; C271-F335 HydrophobicContact CB-CE2 3.75Å; C271-F335 HydrophobicContact CB-CG 3.62Å; C271-F335 HydrophobicContact CB-CZ 3.71Å; V272-F335 HydrophobicContact CG2-CE2 4.21Å; V272-F335 HydrophobicContact CG2-CZ 4.09Å; A276-F335 WeakPolarHBondContact O-CE1 3.4Å; C278-F335 CarbonylContact C-O 3.52Å; C278-F335 VanDerWaalsContact CA-O 3.29Å; C278-F335 WeakPolarHBondContact CA-O 3.5Å; G279-F335 PolarHBondContact N-O 3.29Å; G279-F335 PolarHBondContact O-N 2.75Å; F335-T337 HydrophobicContact CE1-CG2 3.98Å; F335-T337 HydrophobicContact CZ-CG2 4.38Å
336F98.9Very high97.6Very high0 Ų023.6 Ų23.60%013%0.127CC..EExtended strand (participates in β ladder)trans-132141169.1-58.8-58.7000110V250 V252 C278 H334 F340 L341 V388 F389V250-F336 PolarHBondContact N-O 3.04Å; V250-F336 PolarHBondContact O-N 3.28Å; V252-F336 HydrophobicContact CB-CD2 4.31Å; V252-F336 HydrophobicContact CB-CE2 4.13Å; V252-F336 HydrophobicContact CG2-CD2 3.52Å; V252-F336 HydrophobicContact CG2-CE2 3.72Å; C278-F336 HydrophobicContact CB-CD1 4.21Å; C278-F336 HydrophobicContact CB-CE1 4.44Å; C278-F336 WeakPolarHBondContact SG-CE1 3.49Å; H334-F336 HydrophobicContact CB-CE1 4.46Å; H334-F336 HydrophobicContact CB-CE2 3.91Å; H334-F336 HydrophobicContact CB-CZ 3.87Å; F336-F340 HydrophobicContact CB-CD1 4.18Å; F336-F340 AromaticContact CD1-CD1 3.46Å; F336-F340 HydrophobicContact CD1-CD1 3.46Å; F336-F340 VanDerWaalsContact CD1-CD1 3.46Å; F336-F340 AromaticContact CD1-CE1 3.47Å; F336-F340 HydrophobicContact CD1-CE1 3.47Å; F336-F340 VanDerWaalsContact CD1-CE1 3.47Å; F336-F340 HydrophobicContact CE1-CD1 4.14Å; F336-F340 AromaticContact CE1-CE1 3.66Å; F336-F340 HydrophobicContact CE1-CE1 3.66Å; F336-F340 HydrophobicContact CG-CD1 4.1Å; F336-F340 HydrophobicContact CG-CE1 4.41Å; F336-L341 HydrophobicContact CB-CD1 4.19Å; F336-L341 HydrophobicContact CB-CD2 3.85Å; F336-L341 HydrophobicContact CB-CG 3.76Å; F336-L341 HydrophobicContact CD2-CD2 3.71Å; F336-L341 HydrophobicContact CD2-CG 4.49Å; F336-L341 HydrophobicContact CE2-CD2 4.44Å; F336-L341 HydrophobicContact CG-CD2 3.88Å; F336-L341 HydrophobicContact CG-CG 4.35Å; F336-V388 HydrophobicContact CE1-CG2 3.98Å; F336-V388 HydrophobicContact CZ-CG2 4.05Å; F336-F389 HydrophobicContact CE1-CD1 4.28Å; F336-F389 AromaticContact CE1-CE1 3.95Å; F336-F389 HydrophobicContact CE1-CE1 3.95Å; F336-F389 HydrophobicContact CZ-CE1 4.02Å
337T98.9Very high97.6Very high27 Ų2729 Ų2917%0.16615%0.153CC..EExtended strand (participates in β ladder)trans-73.9148.4162.562.30000109.7E248 F249 D277 F335 G339 F340 L341E248-T337 CarbonylContact O-C 3.57Å; E248-T337 VanDerWaalsContact O-CA 3.31Å; E248-T337 WeakPolarHBondContact O-CA 3.3Å; F249-T337 HydrophobicContact CD1-CG2 4.1Å; F249-T337 HydrophobicContact CE1-CG2 4.14Å; D277-T337 HydrophobicContact CB-CG2 4.45Å; D277-T337 PolarHBondContact O-N 3.08Å; D277-T337 PolarHBondContact O-OG1 3.29Å; F335-T337 HydrophobicContact CE1-CG2 3.98Å; F335-T337 HydrophobicContact CZ-CG2 4.38Å; T337-G339 PolarHBondContact O-N 3.13Å; T337-F340 PolarHBondContact O-N 3.44Å; T337-F340 VanDerWaalsContact O-N 3.09Å; T337-F340 VanDerWaalsContact OG1-CB 3.26Å; T337-F340 WeakPolarHBondContact OG1-CB 3.37Å; T337-F340 PolarHBondContact OG1-N 2.91Å; T337-L341 PolarHBondContact O-N 2.82Å
338R98.7Very high97.5Very high58 Ų5829.8 Ų29.822%0.21916%0.155CC..Hα-helixtrans-55.2-36.9171.1-178.5178.960.391.2-1.7111.5M242 E243 V247 E248 L341 K342M242-R338 HydrophobicContact CB-CG 4.5Å; E243-R338 IonicContact OE1-CZ 2.6Å; E243-R338 IonicContact OE1-NH1 2.7Å; E243-R338 PolarHBondContact OE1-NH1 3.22Å; E243-R338 IonicContact OE1-NH2 2.7Å; E243-R338 IonicContact OE2-NH1 2.99Å; V247-R338 VanDerWaalsContact O-CD 3.25Å; V247-R338 WeakPolarHBondContact O-CD 3.36Å; V247-R338 PolarHBondContact O-NE 2.94Å; E248-R338 PolarHBondContact O-N 3.24Å; R338-L341 PolarHBondContact O-N 2.94Å; R338-K342 WeakPolarHBondContact O-CB 3.41Å; R338-K342 PolarHBondContact O-N 3.44Å
339G98.6Very high97.3Very high49 Ų4930.4 Ų30.451%0.50516%0.155SC..Hα-helixtrans-61.6-43.7175.900000112.9T337 K342 A343T337-G339 PolarHBondContact O-N 3.13Å; G339-K342 PolarHBondContact O-N 3.38Å; G339-A343 PolarHBondContact O-N 3.46Å; G339-A343 VanDerWaalsContact O-N 3.12Å
340F98.8Very high96.9Very high8 Ų834.9 Ų34.94%0.03518%0.184CC..Hα-helixtrans-64.5-46.9174.7178.3-108.8000112.1D277 C278 F336 T337 K342 A343 V344 V388 F391 A392D277-F340 HydrophobicContact CB-CB 4.17Å; D277-F340 WeakPolarHBondContact O-CB 3.39Å; C278-F340 HydrophobicContact CB-CD1 4.33Å; C278-F340 HydrophobicContact CB-CE1 4.14Å; C278-F340 HydrophobicContact CB-CZ 4.37Å; F336-F340 HydrophobicContact CB-CD1 4.18Å; F336-F340 AromaticContact CD1-CD1 3.46Å; F336-F340 HydrophobicContact CD1-CD1 3.46Å; F336-F340 VanDerWaalsContact CD1-CD1 3.46Å; F336-F340 AromaticContact CD1-CE1 3.47Å; F336-F340 HydrophobicContact CD1-CE1 3.47Å; F336-F340 VanDerWaalsContact CD1-CE1 3.47Å; F336-F340 HydrophobicContact CE1-CD1 4.14Å; F336-F340 AromaticContact CE1-CE1 3.66Å; F336-F340 HydrophobicContact CE1-CE1 3.66Å; F336-F340 HydrophobicContact CG-CD1 4.1Å; F336-F340 HydrophobicContact CG-CE1 4.41Å; T337-F340 PolarHBondContact O-N 3.44Å; T337-F340 VanDerWaalsContact O-N 3.09Å; T337-F340 VanDerWaalsContact OG1-CB 3.26Å; T337-F340 WeakPolarHBondContact OG1-CB 3.37Å; T337-F340 PolarHBondContact OG1-N 2.91Å; F340-K342 VanDerWaalsContact C-N 3.29Å; F340-K342 PolarHBondContact O-N 2.91Å; F340-A343 PolarHBondContact O-N 3.04Å; F340-A343 VanDerWaalsContact O-N 3.11Å; F340-V344 HydrophobicContact CD1-CG2 4.25Å; F340-V344 HydrophobicContact CD2-CG2 4.39Å; F340-V344 HydrophobicContact CE1-CG2 3.8Å; F340-V344 HydrophobicContact CE2-CG2 3.92Å; F340-V344 HydrophobicContact CZ-CG2 3.61Å; F340-V344 WeakPolarHBondContact O-CG2 3.25Å; F340-V344 PolarHBondContact O-N 3.06Å; F340-V388 HydrophobicContact CE1-CB 4.37Å; F340-V388 HydrophobicContact CE1-CG2 3.81Å; F340-V388 HydrophobicContact CZ-CB 4.1Å; F340-V388 HydrophobicContact CZ-CG2 3.96Å; F340-V388 WeakPolarHBondContact CZ-O 3.33Å; F340-F391 HydrophobicContact CE2-CB 4.23Å; F340-A392 HydrophobicContact CE2-CB 4.19Å; F340-A392 HydrophobicContact CZ-CB 4.42Å
341L98.7Very high96.6Very high0 Ų039.5 Ų39.50%021%0.208CC..Hα-helixtrans-56.6-44.1176.2-69175.9000111.6Y230 L233 L239 V250 F336 T337 R338 A343 V344 T345Y230-L341 HydrophobicContact CD1-CD2 4.47Å; Y230-L341 HydrophobicContact CE1-CD2 4.01Å; L233-L341 HydrophobicContact CD1-CD1 4.39Å; L233-L341 HydrophobicContact CD1-CD2 4.24Å; L239-L341 HydrophobicContact CD2-CB 3.78Å; L239-L341 HydrophobicContact CD2-CD1 4.3Å; V250-L341 HydrophobicContact CB-CD1 4.06Å; V250-L341 HydrophobicContact CG1-CD1 4.4Å; V250-L341 HydrophobicContact CG2-CD1 3.78Å; F336-L341 HydrophobicContact CB-CD1 4.19Å; F336-L341 HydrophobicContact CB-CD2 3.85Å; F336-L341 HydrophobicContact CB-CG 3.76Å; F336-L341 HydrophobicContact CD2-CD2 3.71Å; F336-L341 HydrophobicContact CD2-CG 4.49Å; F336-L341 HydrophobicContact CE2-CD2 4.44Å; F336-L341 HydrophobicContact CG-CD2 3.88Å; F336-L341 HydrophobicContact CG-CG 4.35Å; T337-L341 PolarHBondContact O-N 2.82Å; R338-L341 PolarHBondContact O-N 2.94Å; L341-A343 VanDerWaalsContact C-N 3.34Å; L341-A343 PolarHBondContact O-N 3.5Å; L341-V344 WeakPolarHBondContact O-CB 3.28Å; L341-V344 PolarHBondContact O-N 3.26Å; L341-T345 WeakPolarHBondContact O-CG2 3.35Å; L341-T345 PolarHBondContact O-N 2.89Å
342K98.2Very high96.2Very high68 Ų6839.4 Ų39.430%0.29621%0.208SC..Hα-helixtrans-61.2-38.4176.7-174176.4-175.5171.40113.3L239 R338 G339 F340 T345 R346L239-K342 HydrophobicContact CD1-CB 4.22Å; R338-K342 WeakPolarHBondContact O-CB 3.41Å; R338-K342 PolarHBondContact O-N 3.44Å; G339-K342 PolarHBondContact O-N 3.38Å; F340-K342 VanDerWaalsContact C-N 3.29Å; F340-K342 PolarHBondContact O-N 2.91Å; K342-T345 PolarHBondContact O-OG1 2.95Å; K342-R346 WeakPolarHBondContact O-CB 3.04Å; K342-R346 WeakPolarHBondContact O-CG 3.31Å; K342-R346 PolarHBondContact O-N 3.21Å
343A98Very high95.7Very high26 Ų2645.6 Ų45.622%0.21523%0.233CC..Hα-helixtrans-68-42.3174.800000111G339 F340 L341 R346 E347 F348G339-A343 PolarHBondContact O-N 3.46Å; G339-A343 VanDerWaalsContact O-N 3.12Å; F340-A343 PolarHBondContact O-N 3.04Å; F340-A343 VanDerWaalsContact O-N 3.11Å; L341-A343 VanDerWaalsContact C-N 3.34Å; L341-A343 PolarHBondContact O-N 3.5Å; A343-R346 PolarHBondContact O-N 3.25Å; A343-E347 WeakPolarHBondContact O-CB 3.37Å; A343-E347 PolarHBondContact O-N 3.32Å; A343-F348 HydrophobicContact CB-CD2 4.48Å; A343-F348 HydrophobicContact CB-CE2 4.04Å
344V97.5Very high95.1Very high0 Ų047 Ų470%024%0.242CC..Iπ-helixtrans-59.2-51.5175.7171.20000111.4Y230 F340 L341 R346 F348 E349 V388Y230-V344 HydrophobicContact CD1-CB 4.32Å; Y230-V344 HydrophobicContact CD1-CG1 3.41Å; Y230-V344 VanDerWaalsContact CD1-CG1 3.41Å; Y230-V344 HydrophobicContact CD2-CG1 4.03Å; Y230-V344 HydrophobicContact CE1-CG1 3.83Å; Y230-V344 HydrophobicContact CE2-CG1 4.4Å; Y230-V344 HydrophobicContact CG-CG1 3.53Å; F340-V344 HydrophobicContact CD1-CG2 4.25Å; F340-V344 HydrophobicContact CD2-CG2 4.39Å; F340-V344 HydrophobicContact CE1-CG2 3.8Å; F340-V344 HydrophobicContact CE2-CG2 3.92Å; F340-V344 HydrophobicContact CZ-CG2 3.61Å; F340-V344 WeakPolarHBondContact O-CG2 3.25Å; F340-V344 PolarHBondContact O-N 3.06Å; L341-V344 WeakPolarHBondContact O-CB 3.28Å; L341-V344 PolarHBondContact O-N 3.26Å; V344-R346 VanDerWaalsContact C-N 3.31Å; V344-R346 PolarHBondContact O-N 2.99Å; V344-F348 HydrophobicContact CG2-CD2 4.28Å; V344-F348 CarbonylContact O-C 3.52Å; V344-F348 PolarHBondContact O-N 3.32Å; V344-F348 VanDerWaalsContact O-N 3.1Å; V344-E349 WeakPolarHBondContact O-CB 3.45Å; V344-E349 PolarHBondContact O-N 3.41Å; V344-V388 HydrophobicContact CG1-CB 4.35Å; V344-V388 HydrophobicContact CG1-CG1 3.55Å; V344-V388 HydrophobicContact CG2-CB 4Å; V344-V388 HydrophobicContact CG2-CG1 4.12Å
345T95Very high94.6Very high18 Ų1848.7 Ų48.711%0.1125%0.25CC..Iπ-helixtrans-64-36.2-176.163.30000112.6Y230 L233 E234 L239 L341 K342Y230-T345 WeakPolarHBondContact O-CG2 3.31Å; L233-T345 HydrophobicContact CB-CG2 4.06Å; L233-T345 HydrophobicContact CD1-CG2 4.26Å; E234-T345 PolarHBondContact OE2-OG1 3.39Å; L239-T345 HydrophobicContact CD1-CG2 3.84Å; L239-T345 WeakPolarHBondContact CD1-OG1 3.4Å; L341-T345 WeakPolarHBondContact O-CG2 3.35Å; L341-T345 PolarHBondContact O-N 2.89Å; K342-T345 PolarHBondContact O-OG1 2.95Å
346R93.4Very high94Very high140 Ų14050.9 Ų50.953%0.52826%0.263SS..Iπ-helixtrans-87.8-33.9-175-67.1-178.6176.3-160.2-4.3114.6K342 A343 V344K342-R346 WeakPolarHBondContact O-CB 3.04Å; K342-R346 WeakPolarHBondContact O-CG 3.31Å; K342-R346 PolarHBondContact O-N 3.21Å; A343-R346 PolarHBondContact O-N 3.25Å; V344-R346 VanDerWaalsContact C-N 3.31Å; V344-R346 PolarHBondContact O-N 2.99Å
347E94.6Very high93.4Very high127 Ų12751.6 Ų51.659%0.59327%0.268SS*.Iπ-helixtrans-118.5-39-167.9-59.4175.8-141.500112.8A343A343-E347 WeakPolarHBondContact O-CB 3.37Å; A343-E347 PolarHBondContact O-N 3.32Å
348F94.6Very high92.9Very high48 Ų4852.9 Ų52.921%0.21128%0.276CS..Iπ-helixtrans-107.3-19.3-165.9-52.1-48.5000115.2A343 V344 P350 L351 L352 F391A343-F348 HydrophobicContact CB-CD2 4.48Å; A343-F348 HydrophobicContact CB-CE2 4.04Å; V344-F348 HydrophobicContact CG2-CD2 4.28Å; V344-F348 CarbonylContact O-C 3.52Å; V344-F348 PolarHBondContact O-N 3.32Å; V344-F348 VanDerWaalsContact O-N 3.1Å; F348-P350 VanDerWaalsContact C-CD 3.46Å; F348-P350 VanDerWaalsContact C-N 3.32Å; F348-L351 HydrophobicContact CD1-CD1 4.12Å; F348-L351 WeakPolarHBondContact O-CA 3.5Å; F348-L351 WeakPolarHBondContact O-CB 3.44Å; F348-L351 PolarHBondContact O-N 3.37Å; F348-L352 PolarHBondContact O-N 2.98Å; F348-F391 HydrophobicContact CB-CD1 4.24Å; F348-F391 HydrophobicContact CB-CD2 3.62Å; F348-F391 HydrophobicContact CB-CE1 4.29Å; F348-F391 HydrophobicContact CB-CE2 3.69Å; F348-F391 HydrophobicContact CB-CG 3.93Å; F348-F391 HydrophobicContact CB-CZ 4.03Å; F348-F391 AromaticContact CD1-CD1 3.91Å; F348-F391 HydrophobicContact CD1-CD1 3.91Å; F348-F391 HydrophobicContact CD1-CE1 4.18Å; F348-F391 HydrophobicContact CD1-CG 4.22Å; F348-F391 HydrophobicContact CD2-CB 3.65Å; F348-F391 HydrophobicContact CD2-CD1 4.3Å; F348-F391 HydrophobicContact CD2-CD2 4.19Å; F348-F391 AromaticContact CD2-CG 3.81Å; F348-F391 HydrophobicContact CD2-CG 3.81Å; F348-F391 HydrophobicContact CE1-CD1 4.34Å; F348-F391 HydrophobicContact CE2-CB 3.89Å; F348-F391 HydrophobicContact CE2-CG 4.38Å; F348-F391 HydrophobicContact CG-CB 4.1Å; F348-F391 AromaticContact CG-CD1 3.9Å; F348-F391 HydrophobicContact CG-CD1 3.9Å; F348-F391 AromaticContact CG-CD2 3.96Å; F348-F391 HydrophobicContact CG-CD2 3.96Å; F348-F391 HydrophobicContact CG-CE1 4.3Å; F348-F391 HydrophobicContact CG-CE2 4.37Å; F348-F391 AromaticContact CG-CG 3.72Å; F348-F391 HydrophobicContact CG-CG 3.72Å
349E92.5Very high92.4Very high27 Ų2754.7 Ų54.713%0.12629%0.286CS..G310 helixtrans-51.7-43.2178.8-167.7-69.3147.900112.9C231 V344 L351 L352 K383C231-E349 PolarHBondContact SG-OE1 3.25Å; V344-E349 WeakPolarHBondContact O-CB 3.45Å; V344-E349 PolarHBondContact O-N 3.41Å; E349-L351 PolarHBondContact O-N 3.44Å; E349-L352 WeakPolarHBondContact O-CB 3.04Å; E349-L352 PolarHBondContact O-N 3.03Å; E349-L352 VanDerWaalsContact O-N 3.15Å; E349-K383 VanDerWaalsContact CD-NZ 3.34Å; E349-K383 PolarHBondContact O-NZ 3.19Å; E349-K383 IonicContact OE1-NZ 3.04Å; E349-K383 PolarHBondContact OE1-NZ 2.93Å; E349-K383 IonicContact OE2-NZ 3.93Å
350P89.3Confident92.1Very high94 Ų9458.2 Ų58.261%0.6129%0.287SS*.G310 helixtrans-67.3-20.3178.2-23.436.4000113.9F348 L352F348-P350 VanDerWaalsContact C-CD 3.46Å; F348-P350 VanDerWaalsContact C-N 3.32Å; P350-L352 VanDerWaalsContact C-N 3.35Å
351L91.1Very high91.8Very high111 Ų11158.1 Ų58.158%0.58129%0.287SS*.G310 helixtrans-82.8-13.5178.5-55.9178.1000112.6F348 E349 K353 F391F348-L351 HydrophobicContact CD1-CD1 4.12Å; F348-L351 WeakPolarHBondContact O-CA 3.5Å; F348-L351 WeakPolarHBondContact O-CB 3.44Å; F348-L351 PolarHBondContact O-N 3.37Å; E349-L351 PolarHBondContact O-N 3.44Å; L351-K353 PolarHBondContact O-N 3.03Å; L351-F391 HydrophobicContact CB-CZ 4.02Å; L351-F391 HydrophobicContact CD1-CE1 4.19Å; L351-F391 HydrophobicContact CD1-CZ 4.35Å
352L90.3Very high91.6Very high5 Ų561.1 Ų61.13%0.02631%0.307CS..PPolyproline II helixtrans-66128.1177.7-63.8-179.4000110.7Y230 F348 E349 P350 K383 D387 V388 F391Y230-L352 HydrophobicContact CD2-CD1 3.63Å; Y230-L352 HydrophobicContact CE2-CD1 4.03Å; F348-L352 PolarHBondContact O-N 2.98Å; E349-L352 WeakPolarHBondContact O-CB 3.04Å; E349-L352 PolarHBondContact O-N 3.03Å; E349-L352 VanDerWaalsContact O-N 3.15Å; P350-L352 VanDerWaalsContact C-N 3.35Å; L352-K383 HydrophobicContact CB-CD 3.85Å; L352-K383 HydrophobicContact CB-CG 4.45Å; L352-K383 HydrophobicContact CD1-CD 4.24Å; L352-D387 HydrophobicContact CD2-CB 3.73Å; L352-V388 HydrophobicContact CD1-CG1 3.99Å; L352-V388 HydrophobicContact CD2-CG1 3.89Å; L352-V388 HydrophobicContact CG-CG1 4.49Å; L352-F391 HydrophobicContact CD2-CE2 3.84Å
353K86.5Confident91.5Very high150 Ų15061.6 Ų61.665%0.65231%0.307SS*.PPolyproline II helixtrans-85.5123.8179-65.9-178.7-177.6178.40108.6L351 H355L351-K353 PolarHBondContact O-N 3.03Å; K353-H355 PolarHBondContact O-CD2 3.22Å
354P86Confident91.5Very high31 Ų3160.4 Ų60.420%0.20130%0.297CS..PPolyproline II helixtrans-71.5144.9171.1-5.620.4000110.2M381 E382 K383P354-M381 HydrophobicContact CB-CB 4.18Å; P354-M381 HydrophobicContact CB-CE 3.71Å; P354-M381 HydrophobicContact CG-CE 4.36Å; P354-E382 CarbonylContact C-O 3.6Å; P354-E382 WeakPolarHBondContact CA-O 3.4Å; P354-K383 HydrophobicContact CB-CG 4.46Å
355H87.4Confident91.4Very high36 Ų3661.7 Ų61.717%0.16730%0.304CS..EExtended strand (participates in β ladder)trans-99.2148.9177.8-63.2-91.3000110.3E309 K353 M381 E382 F384 D387E309-H355 IonicContact OE1-CE1 3.65Å; E309-H355 IonicContact OE1-ND1 2.91Å; K353-H355 PolarHBondContact O-CD2 3.22Å; H355-M381 WeakPolarHBondContact O-CA 3.25Å; H355-E382 WeakPolarHBondContact CB-O 3.46Å; H355-E382 PolarHBondContact N-O 3.22Å; H355-E382 PolarHBondContact O-N 3.2Å; H355-F384 HydrophobicContact CB-CD2 4.48Å; H355-F384 HydrophobicContact CB-CE1 4.45Å; H355-F384 HydrophobicContact CB-CE2 3.85Å; H355-F384 HydrophobicContact CB-CZ 3.83Å; H355-F384 AromaticContact CD2-CD2 3.31Å; H355-F384 WeakPolarHBondContact CD2-CD2 3.35Å; H355-F384 AromaticContact CD2-CE2 3.55Å; H355-F384 AromaticContact CD2-CG 3.76Å; H355-F384 AromaticContact CE1-CD2 3.66Å; H355-F384 AromaticContact CE1-CE2 3.78Å; H355-F384 AromaticContact CG-CD2 3.68Å; H355-F384 AromaticContact CG-CE2 3.38Å; H355-F384 AromaticContact CG-CZ 3.89Å; H355-F384 AromaticContact ND1-CD2 3.93Å; H355-F384 AromaticContact ND1-CE2 3.59Å; H355-F384 AromaticContact NE2-CD2 3.3Å; H355-F384 VanDerWaalsContact NE2-CD2 3.3Å; H355-F384 WeakPolarHBondContact NE2-CD2 3.43Å; H355-F384 AromaticContact NE2-CE2 3.79Å; H355-F384 AromaticContact NE2-CG 3.98Å; H355-D387 IonicContact CD2-OD2 2.99Å; H355-D387 PolarHBondContact CD2-OD2 2.87Å; H355-D387 IonicContact CE1-OD2 3.98Å; H355-D387 IonicContact NE2-OD1 2.87Å; H355-D387 IonicContact NE2-OD2 2.76Å; H355-D387 PolarHBondContact NE2-OD2 3.45Å
356V87.7Confident91.4Very high46 Ų4668.4 Ų68.428%0.27933%0.334SS..EExtended strand (participates in β ladder)trans-92.8120.4-179.3171.40000109.8A56 V358 I379 M381A56-V356 HydrophobicContact CB-CG2 3.26Å; V356-V358 HydrophobicContact CG1-CG2 4.02Å; V356-I379 HydrophobicContact CG1-CG2 3.9Å; V356-M381 HydrophobicContact CG2-CE 4.14Å; V356-M381 HydrophobicContact CG2-SD 3.82Å
357A86.7Confident91.4Very high14 Ų1468.2 Ų68.212%0.11634%0.339CS..EExtended strand (participates in β ladder)trans-110.6105.3170.300000110K380A357-K380 HydrophobicContact CB-CB 4.33Å; A357-K380 PolarHBondContact N-O 3.5Å; A357-K380 PolarHBondContact O-N 3.31Å
358V87.6Confident91.4Very high54 Ų5462.9 Ų62.933%0.32732%0.318SS..EExtended strand (participates in β ladder)trans-76.7122.6175.9175.60000109.8F207 V356 P376F207-V358 HydrophobicContact CE1-CG1 3.96Å; F207-V358 HydrophobicContact CE1-CG2 4.42Å; F207-V358 HydrophobicContact CZ-CG1 4.08Å; V356-V358 HydrophobicContact CG1-CG2 4.02Å; V358-P376 HydrophobicContact CG1-CB 3.38Å; V358-P376 HydrophobicContact CG1-CG 4.13Å
359K88.3Confident91.6Very high97 Ų9765 Ų6542%0.42233%0.332SS..EExtended strand (participates in β ladder)trans-136.7162.1-171.6-61.9-68.6179.51790112.8V361 P376 N377 G378 K380K359-V361 HydrophobicContact CB-CG2 4.17Å; K359-P376 WeakPolarHBondContact O-CA 3.19Å; K359-N377 PolarHBondContact O-N 2.76Å; K359-N377 VanDerWaalsContact O-N 3.12Å; K359-N377 PolarHBondContact O-OD1 3.42Å; K359-G378 PolarHBondContact N-O 3.32Å; K359-G378 PolarHBondContact O-N 3.24Å; K359-K380 HydrophobicContact CG-CD 4.07Å; K359-K380 HydrophobicContact CG-CG 4.35Å
360K91.3Very high91.8Very high123 Ų12369.7 Ų69.754%0.53536%0.357SS..  trans-86.7101.1165.9-65-179.1-169.2-169.50107.5P373 L374 P376K360-P373 HydrophobicContact CB-CG 4.02Å; K360-L374 WeakPolarHBondContact CE-O 3.46Å; K360-L374 PolarHBondContact NZ-O 3.05Å; K360-P376 HydrophobicContact CG-CG 4.48Å
361V92.9Very high92.1Very high6 Ų667 Ų674%0.03634%0.339CS..  trans-102.8111.5-177-175.40000108.4A204 I212 A220 K359 Y363 P373 N377A204-V361 HydrophobicContact CB-CG1 4Å; A204-V361 HydrophobicContact CB-CG2 4.24Å; I212-V361 HydrophobicContact CD1-CB 4.03Å; I212-V361 HydrophobicContact CD1-CG1 4.12Å; I212-V361 HydrophobicContact CD1-CG2 4.36Å; I212-V361 HydrophobicContact CG2-CG1 4.07Å; A220-V361 HydrophobicContact CB-CG1 3.82Å; K359-V361 HydrophobicContact CB-CG2 4.17Å; V361-Y363 PolarHBondContact O-N 2.79Å; V361-P373 WeakPolarHBondContact O-CG 3.46Å; V361-N377 PolarHBondContact N-OD1 2.97Å; V361-N377 PolarHBondContact O-ND2 3.26Å; V361-N377 PolarHBondContact O-OD1 3.25Å
362P94.2Very high92.3Very high63 Ų6370.7 Ų70.741%0.40935%0.35SS..  trans-52.8137.7171.8-24.434.7000111V371P362-V371 WeakPolarHBondContact CA-O 3.49Å
363Y97.1Very high92.4Very high78 Ų7871.5 Ų71.531%0.30636%0.356SS..EExtended strand (participates in β ladder)trans-148.5165.5-173.673.6-73.7000111.7I212 L213 E214 V361 D365 V371 P373 N377I212-Y363 VanDerWaalsContact CG2-CB 3.48Å; L213-Y363 CarbonylContact O-C 3.55Å; L213-Y363 WeakPolarHBondContact O-CA 3.38Å; L213-Y363 WeakPolarHBondContact O-CB 3.37Å; E214-Y363 CarbonylContact O-C 3.59Å; V361-Y363 PolarHBondContact O-N 2.79Å; Y363-D365 HydrophobicContact CE2-CB 4.15Å; Y363-V371 HydrophobicContact CD1-CB 4.03Å; Y363-V371 HydrophobicContact CD1-CG1 4.3Å; Y363-V371 HydrophobicContact CE1-CB 3.61Å; Y363-V371 HydrophobicContact CE1-CG1 3.5Å; Y363-V371 HydrophobicContact CE1-CG2 4.46Å; Y363-V371 HydrophobicContact CE2-CB 4.5Å; Y363-V371 PolarHBondContact N-O 3.13Å; Y363-V371 VanDerWaalsContact N-O 3.11Å; Y363-V371 PolarHBondContact O-N 3.06Å; Y363-P373 HydrophobicContact CE1-CB 4.34Å; Y363-N377 WeakPolarHBondContact CD1-ND2 3.15Å
364V97.6Very high92.6Very high1 Ų171.9 Ų71.91%0.00636%0.364CS..EExtended strand (participates in β ladder)trans-94.5129.816658.10000109.7R21 F22 L213 K216 G368 N369 L370R21-V364 PolarHBondContact NH2-O 3.31Å; F22-V364 HydrophobicContact CD2-CG1 4.42Å; F22-V364 HydrophobicContact CE2-CB 4.48Å; F22-V364 HydrophobicContact CE2-CG1 3.84Å; F22-V364 HydrophobicContact CE2-CG2 3.81Å; F22-V364 HydrophobicContact CZ-CG2 4.13Å; L213-V364 HydrophobicContact CB-CG1 3.58Å; L213-V364 HydrophobicContact CD1-CG1 4.44Å; L213-V364 PolarHBondContact O-N 2.8Å; K216-V364 HydrophobicContact CG-CG2 4.04Å; V364-G368 VanDerWaalsContact CG2-CA 3.44Å; V364-N369 CarbonylContact C-O 3.58Å; V364-N369 VanDerWaalsContact CA-O 3.3Å; V364-N369 WeakPolarHBondContact CA-O 3.41Å; V364-L370 HydrophobicContact CB-CD2 4.44Å
365D95.8Very high93Very high27 Ų2778.4 Ų78.414%0.14439%0.389CS..  trans-72.2-168.3179.165.614.6000112.7R21 F22 Y363 E367 G368 N369 V371R21-D365 VanDerWaalsContact CZ-O 3.27Å; R21-D365 PolarHBondContact NH1-O 2.98Å; R21-D365 PolarHBondContact NH2-O 3.02Å; F22-D365 VanDerWaalsContact CZ-O 3.26Å; F22-D365 WeakPolarHBondContact CZ-O 3.41Å; Y363-D365 HydrophobicContact CE2-CB 4.15Å; D365-E367 VanDerWaalsContact CG-OE2 3.31Å; D365-E367 PolarHBondContact OD1-N 2.77Å; D365-E367 VanDerWaalsContact OD1-N 3.15Å; D365-G368 PolarHBondContact OD1-N 3.31Å; D365-N369 PolarHBondContact N-O 2.92Å; D365-N369 PolarHBondContact OD1-N 3.33Å; D365-N369 PolarHBondContact OD1-ND2 2.9Å; D365-N369 WeakPolarHBondContact OD2-CB 3.37Å; D365-N369 PolarHBondContact OD2-ND2 2.82Å; D365-V371 HydrophobicContact CB-CG2 4.02Å
366E93.8Very high93.2Very high159 Ų15979.6 Ų79.674%0.74340%0.4SS*.SBendtrans-75.2-29.2-179.1-65-170.2163.400112.4G368E366-G368 VanDerWaalsContact C-N 3.32Å
367E95Very high93.6Very high136 Ų13678.9 Ų78.964%0.63640%0.395SS*.SBendtrans-82.7-10.8178.4-61.175.7-166.700112.8D365D365-E367 VanDerWaalsContact CG-OE2 3.31Å; D365-E367 PolarHBondContact OD1-N 2.77Å; D365-E367 VanDerWaalsContact OD1-N 3.15Å
368G95Very high93.9Very high14 Ų1478.2 Ų78.214%0.14439%0.389CS..SBendtrans96.113.317700000115.2K216 V364 D365 E366K216-G368 WeakPolarHBondContact CE-O 3.44Å; V364-G368 VanDerWaalsContact CG2-CA 3.44Å; D365-G368 PolarHBondContact OD1-N 3.31Å; E366-G368 VanDerWaalsContact C-N 3.32Å
369N96.9Very high94.2Very high93 Ų9375.7 Ų75.750%0.49737%0.374SS..  trans-87145.7176.9-45.1-67.9000111.5V364 D365V364-N369 CarbonylContact C-O 3.58Å; V364-N369 VanDerWaalsContact CA-O 3.3Å; V364-N369 WeakPolarHBondContact CA-O 3.41Å; D365-N369 PolarHBondContact N-O 2.92Å; D365-N369 PolarHBondContact OD1-N 3.33Å; D365-N369 PolarHBondContact OD1-ND2 2.9Å; D365-N369 WeakPolarHBondContact OD2-CB 3.37Å; D365-N369 PolarHBondContact OD2-ND2 2.82Å
370L96.8Very high94.4Very high125 Ų12573.8 Ų73.865%0.65437%0.366SS*.EExtended strand (participates in β ladder)trans-78.5125.5174.5-64.5176.2000110.9E214 R215 V364E214-L370 WeakPolarHBondContact O-CD2 3.22Å; R215-L370 HydrophobicContact CB-CD2 4.44Å; R215-L370 HydrophobicContact CG-CD2 3.95Å; V364-L370 HydrophobicContact CB-CD2 4.44Å
371V96.6Very high94.4Very high39 Ų3968.3 Ų68.324%0.23634%0.342CS..EExtended strand (participates in β ladder)trans-119.2128.9-177.2-177.90000110.6P362 Y363 D365 P373P362-V371 WeakPolarHBondContact CA-O 3.49Å; Y363-V371 HydrophobicContact CD1-CB 4.03Å; Y363-V371 HydrophobicContact CD1-CG1 4.3Å; Y363-V371 HydrophobicContact CE1-CB 3.61Å; Y363-V371 HydrophobicContact CE1-CG1 3.5Å; Y363-V371 HydrophobicContact CE1-CG2 4.46Å; Y363-V371 HydrophobicContact CE2-CB 4.5Å; Y363-V371 PolarHBondContact N-O 3.13Å; Y363-V371 VanDerWaalsContact N-O 3.11Å; Y363-V371 PolarHBondContact O-N 3.06Å; D365-V371 HydrophobicContact CB-CG2 4.02Å; V371-P373 WeakPolarHBondContact O-CD 3.47Å
372K94.3Very high94.2Very high187 Ų18770.6 Ų70.681%0.81335%0.352SS*.  trans-97.8106165.3-69.2-176.1-177.5178.40108.6
373P92.3Very high94.1Very high23 Ų2369 Ų6915%0.14934%0.339CS..  trans-71.1137.7-169.127.3-34.8000112.3K360 V361 Y363 V371 N377K360-P373 HydrophobicContact CB-CG 4.02Å; V361-P373 WeakPolarHBondContact O-CG 3.46Å; Y363-P373 HydrophobicContact CE1-CB 4.34Å; V371-P373 WeakPolarHBondContact O-CD 3.47Å; P373-N377 HydrophobicContact CB-CB 4.38Å; P373-N377 VanDerWaalsContact CG-OD1 3.25Å; P373-N377 WeakPolarHBondContact CG-OD1 3.43Å
374L91.9Very high94Very high157 Ų15767.3 Ų67.382%0.82233%0.333SS*.SBendtrans-80.1-29177.5-63.6178.6000112.7K360K360-L374 WeakPolarHBondContact CE-O 3.46Å; K360-L374 PolarHBondContact NZ-O 3.05Å
375K93.1Very high94Very high168 Ų16867.2 Ų67.273%0.7333%0.333SS*.SBendtrans-116.6155.5176.6-64.3-177.6-178.3178.90109.8N377K375-N377 PolarHBondContact O-N 2.94Å
376P93.1Very high94Very high61 Ų6166.4 Ų66.440%0.39633%0.328SS..  trans-56.7135.6174.1-21.933000111.7F207 V358 K359 K360F207-P376 HydrophobicContact CZ-CB 4.4Å; V358-P376 HydrophobicContact CG1-CB 3.38Å; V358-P376 HydrophobicContact CG1-CG 4.13Å; K359-P376 WeakPolarHBondContact O-CA 3.19Å; K360-P376 HydrophobicContact CG-CG 4.48Å
377N94.8Very high94.2Very high32 Ų3260.3 Ų60.317%0.17130%0.301CS..  trans-133.1-3.6-174.365.6-48.2000112.6K359 V361 Y363 P373 K375K359-N377 PolarHBondContact O-N 2.76Å; K359-N377 VanDerWaalsContact O-N 3.12Å; K359-N377 PolarHBondContact O-OD1 3.42Å; V361-N377 PolarHBondContact N-OD1 2.97Å; V361-N377 PolarHBondContact O-ND2 3.26Å; V361-N377 PolarHBondContact O-OD1 3.25Å; Y363-N377 WeakPolarHBondContact CD1-ND2 3.15Å; P373-N377 HydrophobicContact CB-CB 4.38Å; P373-N377 VanDerWaalsContact CG-OD1 3.25Å; P373-N377 WeakPolarHBondContact CG-OD1 3.43Å; K375-N377 PolarHBondContact O-N 2.94Å
378G94.1Very high94.3Very high0 Ų053.9 Ų53.90%027%0.27CS..EExtended strand (participates in β ladder)trans-149.4162.9-177.100000113.8V205 K359V205-G378 CarbonylContact O-C 3.45Å; V205-G378 WeakPolarHBondContact O-CA 3.4Å; K359-G378 PolarHBondContact N-O 3.32Å; K359-G378 PolarHBondContact O-N 3.24Å
379I93.3Very high94.4Very high0 Ų053.2 Ų53.20%026%0.264CS..EExtended strand (participates in β ladder)trans-110.8134.5177.7-60.6156.8000107.7A53 C57 V205 F207 V356 M381A53-I379 HydrophobicContact CB-CD1 4.44Å; A53-I379 HydrophobicContact CB-CG2 4.11Å; C57-I379 HydrophobicContact CB-CD1 3.36Å; C57-I379 HydrophobicContact CB-CG1 4.05Å; V205-I379 HydrophobicContact CG2-CB 3.99Å; V205-I379 HydrophobicContact CG2-CD1 4.38Å; V205-I379 PolarHBondContact N-O 2.97Å; V205-I379 PolarHBondContact O-N 2.9Å; F207-I379 HydrophobicContact CD1-CD1 3.98Å; F207-I379 HydrophobicContact CD1-CG1 3.8Å; F207-I379 HydrophobicContact CE1-CG1 4.13Å; V356-I379 HydrophobicContact CG1-CG2 3.9Å; I379-M381 HydrophobicContact CG2-CG 4.44Å; I379-M381 HydrophobicContact CG2-SD 3.77Å
380K92.3Very high94.4Very high58 Ų5854.1 Ų54.125%0.25226%0.26SS..EExtended strand (participates in β ladder)trans-112132.5162.5-62-175.8176-166.10107.7A204 A222 A357 K359A204-K380 HydrophobicContact CB-CG 4.39Å; A222-K380 HydrophobicContact CB-CD 3.53Å; A222-K380 HydrophobicContact CB-CG 4.05Å; A357-K380 HydrophobicContact CB-CB 4.33Å; A357-K380 PolarHBondContact N-O 3.5Å; A357-K380 PolarHBondContact O-N 3.31Å; K359-K380 HydrophobicContact CG-CD 4.07Å; K359-K380 HydrophobicContact CG-CG 4.35Å
381M90.6Very high94.5Very high8 Ų850.1 Ų50.14%0.03924%0.238CC..EExtended strand (participates in β ladder)trans-94.6128.9174.5-58.8-61.6-70.800108.5A53 A56 L202 P354 H355 V356 I379A53-M381 HydrophobicContact CB-CG 3.92Å; A53-M381 HydrophobicContact CB-SD 3.75Å; A56-M381 HydrophobicContact CB-CE 4.39Å; L202-M381 HydrophobicContact CD1-CB 4.36Å; P354-M381 HydrophobicContact CB-CB 4.18Å; P354-M381 HydrophobicContact CB-CE 3.71Å; P354-M381 HydrophobicContact CG-CE 4.36Å; H355-M381 WeakPolarHBondContact O-CA 3.25Å; V356-M381 HydrophobicContact CG2-CE 4.14Å; V356-M381 HydrophobicContact CG2-SD 3.82Å; I379-M381 HydrophobicContact CG2-CG 4.44Å; I379-M381 HydrophobicContact CG2-SD 3.77Å
382E90.3Very high94.6Very high53 Ų5349.1 Ų49.125%0.24823%0.233CC..EExtended strand (participates in β ladder)trans-130.5135.8-176.6-67.4179.6157.600109.4D224 P354 H355 F384D224-E382 CarbonylContact O-C 3.45Å; D224-E382 WeakPolarHBondContact O-CA 3.46Å; P354-E382 CarbonylContact C-O 3.6Å; P354-E382 WeakPolarHBondContact CA-O 3.4Å; H355-E382 WeakPolarHBondContact CB-O 3.46Å; H355-E382 PolarHBondContact N-O 3.22Å; H355-E382 PolarHBondContact O-N 3.2Å; E382-F384 HydrophobicContact CB-CE1 4.37Å
383K92.5Very high94.7Very high31 Ų3149.7 Ų49.714%0.13524%0.236CC..  trans-89.2148.9163.7-71.6-176.7176.7-174.30109.3D224 G225 N226 G227 E349 L352 P354D224-K383 PolarHBondContact O-N 3.14Å; G225-K383 CarbonylContact C-O 3.47Å; G225-K383 WeakPolarHBondContact CA-O 3.41Å; N226-K383 PolarHBondContact N-O 3.49Å; N226-K383 PolarHBondContact OD1-O 2.93Å; G227-K383 WeakPolarHBondContact CA-O 3.34Å; G227-K383 PolarHBondContact N-O 3.02Å; E349-K383 VanDerWaalsContact CD-NZ 3.34Å; E349-K383 PolarHBondContact O-NZ 3.19Å; E349-K383 IonicContact OE1-NZ 3.04Å; E349-K383 PolarHBondContact OE1-NZ 2.93Å; E349-K383 IonicContact OE2-NZ 3.93Å; L352-K383 HydrophobicContact CB-CD 3.85Å; L352-K383 HydrophobicContact CB-CG 4.45Å; L352-K383 HydrophobicContact CD1-CD 4.24Å; P354-K383 HydrophobicContact CB-CG 4.46Å
384F94.4Very high95Very high41 Ų4150.1 Ų50.118%0.1824%0.237CC..  trans-102.2136.8173.9-62.9-30.6000112.3N226 E306 H355 E382 F386 D387N226-F384 VanDerWaalsContact OD1-CA 3.28Å; N226-F384 WeakPolarHBondContact OD1-CA 3.49Å; E306-F384 HydrophobicContact CG-CD2 4.3Å; E306-F384 HydrophobicContact CG-CE2 3.99Å; H355-F384 HydrophobicContact CB-CD2 4.48Å; H355-F384 HydrophobicContact CB-CE1 4.45Å; H355-F384 HydrophobicContact CB-CE2 3.85Å; H355-F384 HydrophobicContact CB-CZ 3.83Å; H355-F384 AromaticContact CD2-CD2 3.31Å; H355-F384 WeakPolarHBondContact CD2-CD2 3.35Å; H355-F384 AromaticContact CD2-CE2 3.55Å; H355-F384 AromaticContact CD2-CG 3.76Å; H355-F384 AromaticContact CE1-CD2 3.66Å; H355-F384 AromaticContact CE1-CE2 3.78Å; H355-F384 AromaticContact CG-CD2 3.68Å; H355-F384 AromaticContact CG-CE2 3.38Å; H355-F384 AromaticContact CG-CZ 3.89Å; H355-F384 AromaticContact ND1-CD2 3.93Å; H355-F384 AromaticContact ND1-CE2 3.59Å; H355-F384 AromaticContact NE2-CD2 3.3Å; H355-F384 VanDerWaalsContact NE2-CD2 3.3Å; H355-F384 WeakPolarHBondContact NE2-CD2 3.43Å; H355-F384 AromaticContact NE2-CE2 3.79Å; H355-F384 AromaticContact NE2-CG 3.98Å; E382-F384 HydrophobicContact CB-CE1 4.37Å; F384-F386 HydrophobicContact CB-CD1 4.41Å; F384-F386 HydrophobicContact CB-CD2 3.99Å; F384-F386 HydrophobicContact CB-CE1 3.93Å; F384-F386 HydrophobicContact CB-CE2 3.46Å; F384-F386 VanDerWaalsContact CB-CE2 3.46Å; F384-F386 HydrophobicContact CB-CG 4.45Å; F384-F386 HydrophobicContact CB-CZ 3.42Å; F384-F386 VanDerWaalsContact CB-CZ 3.42Å; F384-F386 AromaticContact CD2-CE2 3.67Å; F384-F386 HydrophobicContact CD2-CE2 3.67Å; F384-F386 AromaticContact CD2-CZ 3.46Å; F384-F386 HydrophobicContact CD2-CZ 3.46Å; F384-F386 VanDerWaalsContact CD2-CZ 3.46Å; F384-F386 HydrophobicContact CE2-CZ 4.34Å; F384-F386 HydrophobicContact CG-CE1 4.27Å; F384-F386 AromaticContact CG-CE2 3.92Å; F384-F386 HydrophobicContact CG-CE2 3.92Å; F384-F386 AromaticContact CG-CZ 3.56Å; F384-F386 HydrophobicContact CG-CZ 3.56Å; F384-F386 PolarHBondContact O-N 3.42Å; F384-D387 WeakPolarHBondContact O-CB 3.4Å; F384-D387 PolarHBondContact O-N 3.11Å; F384-D387 VanDerWaalsContact O-N 3.14Å
385V96.8Very high95.3Very high0 Ų043.2 Ų43.20%020%0.2CC..G310 helixtrans-58.9-34.6-177.368.10000111.5L111 N226 L229 Y230 V252 D387 V388L111-V385 HydrophobicContact CD1-CB 4.38Å; L111-V385 HydrophobicContact CD1-CG1 4.13Å; L111-V385 HydrophobicContact CD1-CG2 4.31Å; N226-V385 HydrophobicContact CB-CB 4.43Å; N226-V385 PolarHBondContact OD1-N 2.78Å; L229-V385 HydrophobicContact CD2-CG2 3.89Å; Y230-V385 WeakPolarHBondContact OH-CG2 3.37Å; Y230-V385 PolarHBondContact OH-O 3.12Å; V252-V385 HydrophobicContact CG1-CG2 4.33Å; V385-D387 VanDerWaalsContact C-N 3.35Å; V385-D387 PolarHBondContact O-N 3.25Å; V385-V388 WeakPolarHBondContact O-CG2 3.24Å
386F96.9Very high95.6Very high9 Ų935.2 Ų35.24%0.03917%0.165CC..G310 helixtrans-82.5-6.9-177.848.4-108.8000114.3V304 E306 N330 F384 V388 F389V304-F386 HydrophobicContact CB-CB 4.3Å; V304-F386 HydrophobicContact CB-CD2 3.5Å; V304-F386 VanDerWaalsContact CB-CD2 3.5Å; V304-F386 HydrophobicContact CB-CE2 3.87Å; V304-F386 HydrophobicContact CB-CG 3.84Å; V304-F386 HydrophobicContact CG1-CD2 4.1Å; V304-F386 HydrophobicContact CG1-CE2 4.04Å; V304-F386 HydrophobicContact CG1-CG 4.35Å; V304-F386 HydrophobicContact CG1-CZ 4.26Å; V304-F386 HydrophobicContact CG2-CB 3.73Å; V304-F386 HydrophobicContact CG2-CD1 4.42Å; V304-F386 HydrophobicContact CG2-CD2 3.92Å; V304-F386 HydrophobicContact CG2-CG 3.75Å; E306-F386 HydrophobicContact CG-CE2 4.36Å; E306-F386 HydrophobicContact CG-CZ 3.9Å; E306-F386 WeakPolarHBondContact OE1-CE1 3.25Å; E306-F386 WeakPolarHBondContact OE1-CZ 3.44Å; N330-F386 WeakPolarHBondContact ND2-CD1 3.34Å; F384-F386 HydrophobicContact CB-CD1 4.41Å; F384-F386 HydrophobicContact CB-CD2 3.99Å; F384-F386 HydrophobicContact CB-CE1 3.93Å; F384-F386 HydrophobicContact CB-CE2 3.46Å; F384-F386 VanDerWaalsContact CB-CE2 3.46Å; F384-F386 HydrophobicContact CB-CG 4.45Å; F384-F386 HydrophobicContact CB-CZ 3.42Å; F384-F386 VanDerWaalsContact CB-CZ 3.42Å; F384-F386 AromaticContact CD2-CE2 3.67Å; F384-F386 HydrophobicContact CD2-CE2 3.67Å; F384-F386 AromaticContact CD2-CZ 3.46Å; F384-F386 HydrophobicContact CD2-CZ 3.46Å; F384-F386 VanDerWaalsContact CD2-CZ 3.46Å; F384-F386 HydrophobicContact CE2-CZ 4.34Å; F384-F386 HydrophobicContact CG-CE1 4.27Å; F384-F386 AromaticContact CG-CE2 3.92Å; F384-F386 HydrophobicContact CG-CE2 3.92Å; F384-F386 AromaticContact CG-CZ 3.56Å; F384-F386 HydrophobicContact CG-CZ 3.56Å; F384-F386 PolarHBondContact O-N 3.42Å; F386-V388 PolarHBondContact O-N 2.9Å; F386-F389 HydrophobicContact CB-CD1 4.39Å; F386-F389 HydrophobicContact CB-CD2 4.12Å; F386-F389 HydrophobicContact CB-CE1 4.02Å; F386-F389 HydrophobicContact CB-CE2 3.72Å; F386-F389 HydrophobicContact CB-CG 4.45Å; F386-F389 HydrophobicContact CB-CZ 3.66Å; F386-F389 WeakPolarHBondContact O-CB 3.49Å; F386-F389 WeakPolarHBondContact O-CD1 3.43Å; F386-F389 WeakPolarHBondContact O-CG 3.4Å; F386-F389 PolarHBondContact O-N 3.33Å
387D96.4Very high95.8Very high32 Ų3232.3 Ų32.317%0.17115%0.147CC..G310 helixtrans-63.3-14.5-179.7-76.1-21.5000112.7L352 H355 F384 V385 F389 R390L352-D387 HydrophobicContact CD2-CB 3.73Å; H355-D387 IonicContact CD2-OD2 2.99Å; H355-D387 PolarHBondContact CD2-OD2 2.87Å; H355-D387 IonicContact CE1-OD2 3.98Å; H355-D387 IonicContact NE2-OD1 2.87Å; H355-D387 IonicContact NE2-OD2 2.76Å; H355-D387 PolarHBondContact NE2-OD2 3.45Å; F384-D387 WeakPolarHBondContact O-CB 3.4Å; F384-D387 PolarHBondContact O-N 3.11Å; F384-D387 VanDerWaalsContact O-N 3.14Å; V385-D387 VanDerWaalsContact C-N 3.35Å; V385-D387 PolarHBondContact O-N 3.25Å; D387-F389 VanDerWaalsContact C-N 3.34Å; D387-R390 WeakPolarHBondContact O-CD 3.39Å; D387-R390 VanDerWaalsContact O-CG 3.32Å; D387-R390 WeakPolarHBondContact O-CG 3.42Å
388V97.7Very high96Very high0 Ų030.8 Ų30.80%014%0.139CC..G310 helixtrans-78.9-13.4176.7-57.30000113.9Y230 F336 F340 V344 L352 V385 F386 R390 F391Y230-V388 HydrophobicContact CD2-CG1 3.94Å; Y230-V388 HydrophobicContact CE1-CG1 4.15Å; Y230-V388 HydrophobicContact CE1-CG2 4.48Å; Y230-V388 HydrophobicContact CE2-CB 4.49Å; Y230-V388 HydrophobicContact CE2-CG1 3.3Å; Y230-V388 HydrophobicContact CE2-CG2 4.46Å; Y230-V388 VanDerWaalsContact CZ-CG1 3.43Å; Y230-V388 WeakPolarHBondContact OH-CG2 3.49Å; F336-V388 HydrophobicContact CE1-CG2 3.98Å; F336-V388 HydrophobicContact CZ-CG2 4.05Å; F340-V388 HydrophobicContact CE1-CB 4.37Å; F340-V388 HydrophobicContact CE1-CG2 3.81Å; F340-V388 HydrophobicContact CZ-CB 4.1Å; F340-V388 HydrophobicContact CZ-CG2 3.96Å; F340-V388 WeakPolarHBondContact CZ-O 3.33Å; V344-V388 HydrophobicContact CG1-CB 4.35Å; V344-V388 HydrophobicContact CG1-CG1 3.55Å; V344-V388 HydrophobicContact CG2-CB 4Å; V344-V388 HydrophobicContact CG2-CG1 4.12Å; L352-V388 HydrophobicContact CD1-CG1 3.99Å; L352-V388 HydrophobicContact CD2-CG1 3.89Å; L352-V388 HydrophobicContact CG-CG1 4.49Å; V385-V388 WeakPolarHBondContact O-CG2 3.24Å; F386-V388 PolarHBondContact O-N 2.9Å; V388-R390 PolarHBondContact O-N 2.77Å; V388-F391 HydrophobicContact CB-CD2 4.19Å; V388-F391 WeakPolarHBondContact O-CB 3.19Å; V388-F391 PolarHBondContact O-N 3.48Å
389F98.2Very high96.2Very high0 Ų031.4 Ų31.40%014%0.141CC..G310 helixtrans-54.6-31.7-177.1-69.7-2.3000112.4C278 A280 P302 V304 H334 F336 F386 D387 F391 A392 F395C278-F389 WeakPolarHBondContact SG-CD1 3.36Å; A280-F389 HydrophobicContact CB-CE2 3.76Å; A280-F389 HydrophobicContact CB-CZ 3.8Å; P302-F389 CarbonylContact O-C 3.57Å; P302-F389 VanDerWaalsContact O-C 3.27Å; V304-F389 HydrophobicContact CG2-CD2 3.88Å; V304-F389 HydrophobicContact CG2-CE2 3.62Å; H334-F389 AromaticContact CD2-CZ 3.53Å; H334-F389 AromaticContact CG-CZ 3.9Å; H334-F389 AromaticContact NE2-CZ 3.62Å; F336-F389 HydrophobicContact CE1-CD1 4.28Å; F336-F389 AromaticContact CE1-CE1 3.95Å; F336-F389 HydrophobicContact CE1-CE1 3.95Å; F336-F389 HydrophobicContact CZ-CE1 4.02Å; F386-F389 HydrophobicContact CB-CD1 4.39Å; F386-F389 HydrophobicContact CB-CD2 4.12Å; F386-F389 HydrophobicContact CB-CE1 4.02Å; F386-F389 HydrophobicContact CB-CE2 3.72Å; F386-F389 HydrophobicContact CB-CG 4.45Å; F386-F389 HydrophobicContact CB-CZ 3.66Å; F386-F389 WeakPolarHBondContact O-CB 3.49Å; F386-F389 WeakPolarHBondContact O-CD1 3.43Å; F386-F389 WeakPolarHBondContact O-CG 3.4Å; F386-F389 PolarHBondContact O-N 3.33Å; D387-F389 VanDerWaalsContact C-N 3.34Å; F389-F391 PolarHBondContact O-N 2.96Å; F389-F391 VanDerWaalsContact O-N 3.14Å; F389-A392 VanDerWaalsContact O-CB 3.26Å; F389-A392 WeakPolarHBondContact O-CB 3.42Å; F389-A392 PolarHBondContact O-N 3.41Å; F389-A392 VanDerWaalsContact O-N 3.09Å; F389-F395 HydrophobicContact CB-CD2 4.19Å; F389-F395 HydrophobicContact CB-CE2 3.94Å; F389-F395 AromaticContact CD1-CE2 3.88Å; F389-F395 HydrophobicContact CD1-CE2 3.88Å; F389-F395 HydrophobicContact CD2-CD2 4.47Å; F389-F395 AromaticContact CD2-CE2 3.45Å; F389-F395 HydrophobicContact CD2-CE2 3.45Å; F389-F395 VanDerWaalsContact CD2-CE2 3.45Å; F389-F395 AromaticContact CD2-CZ 3.68Å; F389-F395 HydrophobicContact CD2-CZ 3.68Å; F389-F395 HydrophobicContact CE1-CE2 4.18Å; F389-F395 AromaticContact CE2-CE2 3.79Å; F389-F395 HydrophobicContact CE2-CE2 3.79Å; F389-F395 AromaticContact CE2-CZ 3.88Å; F389-F395 HydrophobicContact CE2-CZ 3.88Å; F389-F395 HydrophobicContact CG-CD2 4.17Å; F389-F395 AromaticContact CG-CE2 3.49Å; F389-F395 HydrophobicContact CG-CE2 3.49Å; F389-F395 VanDerWaalsContact CG-CE2 3.49Å; F389-F395 HydrophobicContact CG-CZ 4.19Å; F389-F395 HydrophobicContact CZ-CE2 4.14Å
390R96.9Very high96.4Very high113 Ų11331.6 Ų31.643%0.42614%0.143SC..G310 helixtrans-61.6-18.4176.570.7-175.6-63.31489.7115V301 P302 D387 V388V301-R390 VanDerWaalsContact CG1-CA 3.44Å; V301-R390 HydrophobicContact CG1-CB 3.48Å; V301-R390 VanDerWaalsContact CG1-CB 3.48Å; P302-R390 VanDerWaalsContact O-CA 3.31Å; P302-R390 WeakPolarHBondContact O-CA 3.29Å; P302-R390 PolarHBondContact O-N 3.13Å; P302-R390 VanDerWaalsContact O-N 3.08Å; D387-R390 WeakPolarHBondContact O-CD 3.39Å; D387-R390 VanDerWaalsContact O-CG 3.32Å; D387-R390 WeakPolarHBondContact O-CG 3.42Å; V388-R390 PolarHBondContact O-N 2.77Å
391F97.8Very high96.6Very high41 Ų4132.2 Ų32.218%0.1815%0.148CC..G310 helixtrans-99-4.5-179.8-52.9-60.6000112.6F340 F348 L351 L352 V388 F389F340-F391 HydrophobicContact CE2-CB 4.23Å; F348-F391 HydrophobicContact CB-CD1 4.24Å; F348-F391 HydrophobicContact CB-CD2 3.62Å; F348-F391 HydrophobicContact CB-CE1 4.29Å; F348-F391 HydrophobicContact CB-CE2 3.69Å; F348-F391 HydrophobicContact CB-CG 3.93Å; F348-F391 HydrophobicContact CB-CZ 4.03Å; F348-F391 AromaticContact CD1-CD1 3.91Å; F348-F391 HydrophobicContact CD1-CD1 3.91Å; F348-F391 HydrophobicContact CD1-CE1 4.18Å; F348-F391 HydrophobicContact CD1-CG 4.22Å; F348-F391 HydrophobicContact CD2-CB 3.65Å; F348-F391 HydrophobicContact CD2-CD1 4.3Å; F348-F391 HydrophobicContact CD2-CD2 4.19Å; F348-F391 AromaticContact CD2-CG 3.81Å; F348-F391 HydrophobicContact CD2-CG 3.81Å; F348-F391 HydrophobicContact CE1-CD1 4.34Å; F348-F391 HydrophobicContact CE2-CB 3.89Å; F348-F391 HydrophobicContact CE2-CG 4.38Å; F348-F391 HydrophobicContact CG-CB 4.1Å; F348-F391 AromaticContact CG-CD1 3.9Å; F348-F391 HydrophobicContact CG-CD1 3.9Å; F348-F391 AromaticContact CG-CD2 3.96Å; F348-F391 HydrophobicContact CG-CD2 3.96Å; F348-F391 HydrophobicContact CG-CE1 4.3Å; F348-F391 HydrophobicContact CG-CE2 4.37Å; F348-F391 AromaticContact CG-CG 3.72Å; F348-F391 HydrophobicContact CG-CG 3.72Å; L351-F391 HydrophobicContact CB-CZ 4.02Å; L351-F391 HydrophobicContact CD1-CE1 4.19Å; L351-F391 HydrophobicContact CD1-CZ 4.35Å; L352-F391 HydrophobicContact CD2-CE2 3.84Å; V388-F391 HydrophobicContact CB-CD2 4.19Å; V388-F391 WeakPolarHBondContact O-CB 3.19Å; V388-F391 PolarHBondContact O-N 3.48Å; F389-F391 PolarHBondContact O-N 2.96Å; F389-F391 VanDerWaalsContact O-N 3.14Å
392A97.9Very high96.8Very high18 Ų1834.7 Ų34.715%0.14916%0.157CC..  trans-66.1136.9177.900000110.8C278 F340 F389 F395C278-A392 HydrophobicContact CB-CB 3.46Å; C278-A392 VanDerWaalsContact CB-CB 3.46Å; F340-A392 HydrophobicContact CE2-CB 4.19Å; F340-A392 HydrophobicContact CZ-CB 4.42Å; F389-A392 VanDerWaalsContact O-CB 3.26Å; F389-A392 WeakPolarHBondContact O-CB 3.42Å; F389-A392 PolarHBondContact O-N 3.41Å; F389-A392 VanDerWaalsContact O-N 3.09Å; A392-F395 HydrophobicContact CB-CB 4.06Å; A392-F395 HydrophobicContact CB-CD2 4.45Å
393K97.5Very high97Very high198 Ų19836.3 Ų36.386%0.86117%0.165SC*.SBendtrans-77.9-35.5173.2-63.2179.3-177.11760111.1D277D277-K393 PolarHBondContact OD1-N 2.85Å; D277-K393 WeakPolarHBondContact OD2-CB 3.48Å; D277-K393 PolarHBondContact OD2-N 2.89Å
394N97.9Very high97.2Very high33 Ų3336 Ų3618%0.17616%0.164CC..SBendtrans-140.687.7-178.2-170.221.5000110.1R78 Q274 G275 A276 D277R78-N394 PolarHBondContact NH1-OD1 3.34Å; Q274-N394 PolarHBondContact O-ND2 2.77Å; G275-N394 PolarHBondContact O-ND2 2.7Å; A276-N394 VanDerWaalsContact CA-O 3.28Å; A276-N394 WeakPolarHBondContact CA-O 3.43Å; A276-N394 WeakPolarHBondContact CB-O 3.47Å; D277-N394 PolarHBondContact N-O 3.42Å; D277-N394 VanDerWaalsContact OD1-C 3.28Å; D277-N394 WeakPolarHBondContact OD1-CA 3.19Å; D277-N394 PolarHBondContact OD1-N 2.96Å
395F98.7Very high97.4Very high11 Ų1134.3 Ų34.35%0.04816%0.156CC..EExtended strand (participates in β ladder)trans-87.9138.2177.9-175.2-93.4000112L74 C278 A280 V295 P302 F389 A392 A397L74-F395 HydrophobicContact CD1-CE1 4.01Å; L74-F395 HydrophobicContact CD2-CD1 4.24Å; L74-F395 HydrophobicContact CD2-CE1 4.18Å; C278-F395 HydrophobicContact CB-CD2 4.07Å; C278-F395 WeakPolarHBondContact O-CA 3.29Å; C278-F395 VanDerWaalsContact SG-CD2 3.57Å; A280-F395 HydrophobicContact CB-CE2 4.18Å; A280-F395 HydrophobicContact CB-CZ 3.67Å; V295-F395 HydrophobicContact CG1-CE1 3.73Å; V295-F395 HydrophobicContact CG1-CZ 3.71Å; P302-F395 HydrophobicContact CB-CB 3.95Å; P302-F395 HydrophobicContact CB-CD1 3.58Å; P302-F395 HydrophobicContact CB-CD2 4.25Å; P302-F395 HydrophobicContact CB-CE1 4.12Å; P302-F395 HydrophobicContact CB-CG 3.64Å; P302-F395 HydrophobicContact CG-CB 3.7Å; P302-F395 HydrophobicContact CG-CD1 4.05Å; P302-F395 HydrophobicContact CG-CG 3.98Å; F389-F395 HydrophobicContact CB-CD2 4.19Å; F389-F395 HydrophobicContact CB-CE2 3.94Å; F389-F395 AromaticContact CD1-CE2 3.88Å; F389-F395 HydrophobicContact CD1-CE2 3.88Å; F389-F395 HydrophobicContact CD2-CD2 4.47Å; F389-F395 AromaticContact CD2-CE2 3.45Å; F389-F395 HydrophobicContact CD2-CE2 3.45Å; F389-F395 VanDerWaalsContact CD2-CE2 3.45Å; F389-F395 AromaticContact CD2-CZ 3.68Å; F389-F395 HydrophobicContact CD2-CZ 3.68Å; F389-F395 HydrophobicContact CE1-CE2 4.18Å; F389-F395 AromaticContact CE2-CE2 3.79Å; F389-F395 HydrophobicContact CE2-CE2 3.79Å; F389-F395 AromaticContact CE2-CZ 3.88Å; F389-F395 HydrophobicContact CE2-CZ 3.88Å; F389-F395 HydrophobicContact CG-CD2 4.17Å; F389-F395 AromaticContact CG-CE2 3.49Å; F389-F395 HydrophobicContact CG-CE2 3.49Å; F389-F395 VanDerWaalsContact CG-CE2 3.49Å; F389-F395 HydrophobicContact CG-CZ 4.19Å; F389-F395 HydrophobicContact CZ-CE2 4.14Å; A392-F395 HydrophobicContact CB-CB 4.06Å; A392-F395 HydrophobicContact CB-CD2 4.45Å; F395-A397 HydrophobicContact CE1-CB 4.5Å
396V98.7Very high97.4Very high0 Ų035.2 Ų35.20%016%0.16CC..EExtended strand (participates in β ladder)trans-132.1153.4171.9-62.30000111.5R78 F270 Q274 A276 C278 G279 A280R78-V396 CarbonylContact O-C 3.47Å; R78-V396 WeakPolarHBondContact O-CA 3.36Å; F270-V396 HydrophobicContact CD1-CG2 4.26Å; F270-V396 HydrophobicContact CE1-CB 3.74Å; F270-V396 HydrophobicContact CE1-CG2 3.54Å; F270-V396 HydrophobicContact CZ-CB 3.94Å; F270-V396 HydrophobicContact CZ-CG1 4.41Å; F270-V396 HydrophobicContact CZ-CG2 4.2Å; Q274-V396 HydrophobicContact CB-CG1 3.99Å; Q274-V396 HydrophobicContact CG-CG1 4.32Å; A276-V396 HydrophobicContact CB-CB 4.48Å; A276-V396 HydrophobicContact CB-CG1 4.12Å; A276-V396 HydrophobicContact CB-CG2 3.6Å; C278-V396 PolarHBondContact O-N 3.31Å; G279-V396 CarbonylContact C-O 3.52Å; G279-V396 WeakPolarHBondContact CA-O 3.29Å; A280-V396 PolarHBondContact N-O 3.37Å
397A98.4Very high97.4Very high1 Ų135.3 Ų35.31%0.00816%0.162CC..EExtended strand (participates in β ladder)trans-114.1151.4167.500000111.1L74 R78 V79 G80 F270 A280 F395L74-A397 HydrophobicContact CD1-CB 3.41Å; L74-A397 VanDerWaalsContact CD1-CB 3.41Å; R78-A397 PolarHBondContact O-N 2.68Å; V79-A397 CarbonylContact C-O 3.54Å; V79-A397 WeakPolarHBondContact CA-O 3.32Å; V79-A397 HydrophobicContact CG2-CB 4.35Å; G80-A397 PolarHBondContact N-O 2.81Å; F270-A397 WeakPolarHBondContact CE1-O 3.18Å; A280-A397 CarbonylContact O-C 3.53Å; A280-A397 WeakPolarHBondContact O-CA 3.46Å; F395-A397 HydrophobicContact CE1-CB 4.5Å
398F98.5Very high97.4Very high0 Ų034.1 Ų34.10%016%0.156CC..EExtended strand (participates in β ladder)trans-130.8106.8-179.6-167.4-107.6000110.5G80 A82 W93 V266 F267 F270 A280 K281 V282 V400G80-F398 CarbonylContact O-C 3.57Å; G80-F398 WeakPolarHBondContact O-CA 3.22Å; A82-F398 HydrophobicContact CB-CE1 3.87Å; A82-F398 HydrophobicContact CB-CZ 3.72Å; W93-F398 AromaticContact CE3-CE2 3.86Å; W93-F398 HydrophobicContact CE3-CE2 3.86Å; W93-F398 HydrophobicContact CE3-CZ 4.23Å; W93-F398 HydrophobicContact CH2-CE2 4.28Å; W93-F398 AromaticContact CZ3-CE2 3.62Å; W93-F398 HydrophobicContact CZ3-CE2 3.62Å; W93-F398 HydrophobicContact CZ3-CZ 4.19Å; V266-F398 HydrophobicContact CG1-CE1 4.28Å; V266-F398 HydrophobicContact CG1-CZ 3.65Å; F267-F398 HydrophobicContact CB-CD1 4.07Å; F267-F398 HydrophobicContact CB-CE1 4.32Å; F267-F398 HydrophobicContact CD2-CB 3.52Å; F267-F398 AromaticContact CD2-CD1 3.85Å; F267-F398 HydrophobicContact CD2-CD1 3.85Å; F267-F398 AromaticContact CD2-CG 3.79Å; F267-F398 HydrophobicContact CD2-CG 3.79Å; F267-F398 HydrophobicContact CE2-CB 3.73Å; F267-F398 HydrophobicContact CE2-CG 4.49Å; F267-F398 HydrophobicContact CG-CD1 4.33Å; F270-F398 HydrophobicContact CB-CD2 4.04Å; F270-F398 HydrophobicContact CB-CE2 4Å; F270-F398 HydrophobicContact CD1-CB 4.01Å; F270-F398 AromaticContact CD1-CD2 3.43Å; F270-F398 HydrophobicContact CD1-CD2 3.43Å; F270-F398 VanDerWaalsContact CD1-CD2 3.43Å; F270-F398 HydrophobicContact CD1-CE2 4.23Å; F270-F398 HydrophobicContact CD1-CG 4.01Å; F270-F398 HydrophobicContact CD2-CD2 4.16Å; F270-F398 HydrophobicContact CD2-CE2 4.36Å; F270-F398 HydrophobicContact CE1-CB 4.05Å; F270-F398 AromaticContact CE1-CD2 3.85Å; F270-F398 HydrophobicContact CE1-CD2 3.85Å; F270-F398 HydrophobicContact CE1-CG 4.4Å; F270-F398 AromaticContact CG-CD2 3.59Å; F270-F398 HydrophobicContact CG-CD2 3.59Å; F270-F398 AromaticContact CG-CE2 3.93Å; F270-F398 HydrophobicContact CG-CE2 3.93Å; F270-F398 HydrophobicContact CZ-CD2 4.39Å; A280-F398 PolarHBondContact O-N 3.47Å; K281-F398 CarbonylContact C-O 3.58Å; K281-F398 VanDerWaalsContact CA-O 3.32Å; K281-F398 WeakPolarHBondContact CA-O 3.31Å; K281-F398 HydrophobicContact CG-CD1 4.49Å; V282-F398 PolarHBondContact N-O 2.84Å; F398-V400 HydrophobicContact CD1-CG1 3.64Å; F398-V400 HydrophobicContact CE1-CG1 3.64Å
399E98.2Very high97.2Very high12 Ų1234.1 Ų34.16%0.05616%0.156CC..EExtended strand (participates in β ladder)trans-79.9127.9-179.8-173.5-177.1106.100110.8G80 R81 A82 R84 V282G80-E399 PolarHBondContact O-N 2.8Å; R81-E399 HydrophobicContact CB-CB 4.38Å; R81-E399 HydrophobicContact CG-CB 4.02Å; R81-E399 IonicContact CZ-OE1 2.76Å; R81-E399 IonicContact CZ-OE2 3.15Å; R81-E399 IonicContact NE-OE1 3.59Å; R81-E399 IonicContact NE-OE2 3.38Å; R81-E399 VanDerWaalsContact NH1-CD 3.31Å; R81-E399 IonicContact NH1-OE1 3.4Å; R81-E399 PolarHBondContact NH1-OE1 2.86Å; R81-E399 IonicContact NH1-OE2 2.65Å; R81-E399 PolarHBondContact NH1-OE2 2.85Å; R81-E399 IonicContact NH2-OE2 3.45Å; A82-E399 PolarHBondContact N-O 2.93Å; R84-E399 IonicContact NE-OE1 3.92Å; V282-E399 HydrophobicContact CG2-CB 4.14Å; V282-E399 WeakPolarHBondContact O-CA 3.26Å
400V97.8Very high96.9Very high4 Ų437.5 Ų37.52%0.02417%0.171CC..EExtended strand (participates in β ladder)trans-125.7163.3176.7-600000111.2A82 K281 V282 V283 I331 F398 E405A82-V400 HydrophobicContact CB-CG1 4.19Å; K281-V400 HydrophobicContact CD-CG1 3.87Å; K281-V400 HydrophobicContact CD-CG2 3.92Å; K281-V400 HydrophobicContact CG-CG1 3.87Å; K281-V400 HydrophobicContact CG-CG2 3.84Å; V282-V400 PolarHBondContact O-N 2.96Å; V283-V400 HydrophobicContact CG1-CG2 3.91Å; I331-V400 HydrophobicContact CD1-CG2 4.35Å; F398-V400 HydrophobicContact CD1-CG1 3.64Å; F398-V400 HydrophobicContact CE1-CG1 3.64Å; V400-E405 HydrophobicContact CB-CB 4.35Å; V400-E405 HydrophobicContact CB-CG 4.27Å; V400-E405 WeakPolarHBondContact CG1-OE1 3.46Å; V400-E405 HydrophobicContact CG2-CB 3.73Å; V400-E405 HydrophobicContact CG2-CG 4.18Å
401L96.3Very high96.7Very high71 Ų7133.4 Ų33.437%0.37216%0.158SC..  trans-74.5130.5174.1-64.4178.6000110E403 E404 E405L401-E403 HydrophobicContact CB-CG 4.49Å; L401-E403 PolarHBondContact O-N 2.86Å; L401-E404 HydrophobicContact CB-CB 4.15Å; L401-E404 HydrophobicContact CB-CG 4.06Å; L401-E404 HydrophobicContact CD1-CG 4.42Å; L401-E404 PolarHBondContact O-N 2.94Å; L401-E404 VanDerWaalsContact O-N 3.13Å; L401-E405 PolarHBondContact O-N 3Å; L401-E405 VanDerWaalsContact O-N 3.13Å
402R95.7Very high96.3Very high61 Ų6133.1 Ų33.123%0.2316%0.162CC..Hα-helixtrans-61.2-47.1-177.4174-178.5-61.5-99.71.6111.4V283 E284 E290 E404 E405 F406V283-R402 HydrophobicContact CB-CB 4.28Å; V283-R402 HydrophobicContact CG1-CB 4.19Å; E284-R402 PolarHBondContact O-NH2 3.09Å; E290-R402 VanDerWaalsContact CD-NH2 3.27Å; E290-R402 IonicContact OE1-CZ 3.71Å; E290-R402 IonicContact OE1-NH1 2.8Å; E290-R402 PolarHBondContact OE1-NH1 3.08Å; E290-R402 IonicContact OE1-NH2 3.72Å; E290-R402 PolarHBondContact OE1-NH2 3.36Å; E290-R402 IonicContact OE2-CZ 3.34Å; E290-R402 IonicContact OE2-NH2 3.95Å; E290-R402 PolarHBondContact OE2-NH2 3.14Å; R402-E404 PolarHBondContact O-N 2.9Å; R402-E405 PolarHBondContact O-N 2.81Å; R402-E405 VanDerWaalsContact O-N 3.16Å; R402-F406 HydrophobicContact CG-CB 4.33Å; R402-F406 HydrophobicContact CG-CD1 4.38Å; R402-F406 WeakPolarHBondContact CG-O 3.1Å; R402-F406 CarbonylContact O-C 3.51Å; R402-F406 PolarHBondContact O-N 3.02Å; R402-F406 VanDerWaalsContact O-O 3.14Å
403E94.4Very high95.8Very high86 Ų8636.3 Ų36.340%0.40218%0.175SC..Hα-helixtrans-63.8-11.2-179.766.6-88.7-152.700113.2L401 R433L401-E403 HydrophobicContact CB-CG 4.49Å; L401-E403 PolarHBondContact O-N 2.86Å; E403-R433 VanDerWaalsContact CG-NH2 3.33Å; E403-R433 PolarHBondContact O-NH2 2.89Å
404E95.9Very high95.4Very high25 Ų2532.5 Ų32.512%0.11717%0.17CC..Hα-helixtrans-103.8-26.1175.7-69.3-56.9131.500113.7R261 L401 R402 Q430 R433 W434R261-E404 IonicContact NH2-OE2 2.84Å; R261-E404 PolarHBondContact NH2-OE2 3.14Å; L401-E404 HydrophobicContact CB-CB 4.15Å; L401-E404 HydrophobicContact CB-CG 4.06Å; L401-E404 HydrophobicContact CD1-CG 4.42Å; L401-E404 PolarHBondContact O-N 2.94Å; L401-E404 VanDerWaalsContact O-N 3.13Å; R402-E404 PolarHBondContact O-N 2.9Å; E404-Q430 VanDerWaalsContact CA-NE2 3.28Å; E404-Q430 PolarHBondContact O-NE2 3.46Å; E404-Q430 PolarHBondContact OE2-NE2 2.95Å; E404-R433 IonicContact OE1-CZ 2.94Å; E404-R433 IonicContact OE1-NE 2.75Å; E404-R433 IonicContact OE1-NH2 3.92Å; E404-R433 PolarHBondContact OE1-NH2 3.35Å; E404-W434 PolarHBondContact OE2-NE1 2.88Å; E404-W434 VanDerWaalsContact OE2-NE1 3.13Å
405E98Very high94.8Very high5 Ų532.3 Ų32.32%0.02317%0.173CC..Hα-helixtrans-139.7-2.4-166-62.2-159.3-140.700115.2N257 R261 K281 V400 L401 R402N257-E405 PolarHBondContact ND2-O 3.31Å; R261-E405 VanDerWaalsContact CD-CD 3.47Å; R261-E405 HydrophobicContact CG-CG 4.03Å; R261-E405 IonicContact CZ-OE1 3.65Å; R261-E405 IonicContact NE-OE1 3.55Å; R261-E405 IonicContact NH1-OE1 3.73Å; R261-E405 PolarHBondContact NH1-OE1 2.8Å; K281-E405 WeakPolarHBondContact CD-OE2 3.41Å; K281-E405 IonicContact NZ-OE2 3.68Å; K281-E405 PolarHBondContact NZ-OE2 3.3Å; V400-E405 HydrophobicContact CB-CB 4.35Å; V400-E405 HydrophobicContact CB-CG 4.27Å; V400-E405 WeakPolarHBondContact CG1-OE1 3.46Å; V400-E405 HydrophobicContact CG2-CB 3.73Å; V400-E405 HydrophobicContact CG2-CG 4.18Å; L401-E405 PolarHBondContact O-N 3Å; L401-E405 VanDerWaalsContact O-N 3.13Å; R402-E405 PolarHBondContact O-N 2.81Å; R402-E405 VanDerWaalsContact O-N 3.16Å
406F97.8Very high94.3Very high19 Ų1937.6 Ų37.68%0.08320%0.202CC..  trans-146.2107.4-177.9-172.1-119.7000114.6N257 V283 I331 R402 P408N257-F406 WeakPolarHBondContact OD1-CA 3.37Å; V283-F406 HydrophobicContact CG1-CB 3.89Å; V283-F406 HydrophobicContact CG2-CD1 4.06Å; I331-F406 HydrophobicContact CB-CD2 3.53Å; I331-F406 HydrophobicContact CB-CE2 3.7Å; I331-F406 HydrophobicContact CB-CG 3.99Å; I331-F406 HydrophobicContact CB-CZ 4.29Å; I331-F406 HydrophobicContact CD1-CB 4.38Å; I331-F406 HydrophobicContact CG2-CB 4.03Å; I331-F406 HydrophobicContact CG2-CD1 3.65Å; I331-F406 HydrophobicContact CG2-CD2 3.51Å; I331-F406 HydrophobicContact CG2-CE1 3.88Å; I331-F406 HydrophobicContact CG2-CE2 3.75Å; I331-F406 HydrophobicContact CG2-CG 3.45Å; I331-F406 VanDerWaalsContact CG2-CG 3.45Å; I331-F406 HydrophobicContact CG2-CZ 3.92Å; R402-F406 HydrophobicContact CG-CB 4.33Å; R402-F406 HydrophobicContact CG-CD1 4.38Å; R402-F406 WeakPolarHBondContact CG-O 3.1Å; R402-F406 CarbonylContact O-C 3.51Å; R402-F406 PolarHBondContact O-N 3.02Å; R402-F406 VanDerWaalsContact O-O 3.14Å; F406-P408 HydrophobicContact CE1-CG 4.04Å; F406-P408 HydrophobicContact CE2-CB 4Å; F406-P408 HydrophobicContact CE2-CG 3.93Å; F406-P408 HydrophobicContact CZ-CB 4.1Å; F406-P408 HydrophobicContact CZ-CG 3.58Å
407S96.9Very high93.7Very high12 Ų1244.5 Ų44.58%0.08423%0.228CC..  trans-144.693.5165.2-177.20000109.3N257 I258 T422 S423 A426N257-S407 PolarHBondContact OD1-N 3.37Å; I258-S407 PolarHBondContact N-O 3.07Å; S407-T422 PolarHBondContact OG-O 3.02Å; S407-S423 WeakPolarHBondContact OG-CA 3.25Å; S407-A426 VanDerWaalsContact CB-CB 3.45Å; S407-A426 VanDerWaalsContact OG-CB 3.31Å; S407-A426 WeakPolarHBondContact OG-CB 3.27Å
408P95.5Very high93.4Very high6 Ų646.6 Ų46.64%0.03924%0.239CC..BIsolated β-bridgetrans-79.5151.8-173.433.5-36.2000112.4D256 F406 K410 D418 S423D256-P408 CarbonylContact O-C 3.6Å; D256-P408 WeakPolarHBondContact O-CA 3.35Å; F406-P408 HydrophobicContact CE1-CG 4.04Å; F406-P408 HydrophobicContact CE2-CB 4Å; F406-P408 HydrophobicContact CE2-CG 3.93Å; F406-P408 HydrophobicContact CZ-CB 4.1Å; F406-P408 HydrophobicContact CZ-CG 3.58Å; P408-K410 HydrophobicContact CB-CG 4.22Å; P408-D418 HydrophobicContact CG-CB 4.19Å; P408-D418 WeakPolarHBondContact CG-OD1 3.31Å; P408-D418 CarbonylContact O-C 3.59Å; P408-D418 WeakPolarHBondContact O-CA 3.43Å; P408-D418 WeakPolarHBondContact O-CB 3.25Å; P408-S423 PolarHBondContact O-OG 3.06Å
409L95Very high93.3Very high0 Ų046.6 Ų46.60%024%0.239CC..  trans-106.396.6173.7177.562.5000109.7L119 K125 Y128 V130 L138 D256 S419 P420L119-L409 HydrophobicContact CD1-CD1 4.38Å; L119-L409 HydrophobicContact CD1-CD2 3.71Å; L119-L409 HydrophobicContact CD1-CG 3.79Å; L119-L409 HydrophobicContact CD2-CD1 3.95Å; L119-L409 HydrophobicContact CD2-CG 4.01Å; K125-L409 VanDerWaalsContact CE-O 3.3Å; K125-L409 WeakPolarHBondContact CE-O 3.4Å; K125-L409 HydrophobicContact CG-CD2 4.47Å; K125-L409 PolarHBondContact NZ-O 2.87Å; Y128-L409 HydrophobicContact CD1-CD2 3.67Å; Y128-L409 HydrophobicContact CE1-CD2 4.27Å; Y128-L409 HydrophobicContact CG-CD2 3.83Å; V130-L409 HydrophobicContact CG1-CD2 4.01Å; L138-L409 HydrophobicContact CD1-CD2 4.1Å; D256-L409 HydrophobicContact CB-CB 4.39Å; D256-L409 WeakPolarHBondContact CB-O 3.37Å; D256-L409 PolarHBondContact O-N 3.32Å; L409-S419 VanDerWaalsContact CD1-C 3.49Å; L409-P420 HydrophobicContact CD1-CB 4.39Å; L409-P420 HydrophobicContact CD1-CG 3.84Å; L409-P420 VanDerWaalsContact CD1-N 3.31Å
410K91.5Very high93.2Very high72 Ų7246.5 Ų46.531%0.31324%0.239SC..  trans-115.2-33.4-176.6-57.2-66.1-176-178.70113.8R118 D256 P408 D418R118-K410 WeakPolarHBondContact CD-O 3.43Å; R118-K410 VanDerWaalsContact CG-O 3.26Å; R118-K410 WeakPolarHBondContact CG-O 3.25Å; R118-K410 PolarHBondContact NE-O 2.96Å; D256-K410 IonicContact OD1-NZ 2.68Å; D256-K410 PolarHBondContact OD1-NZ 3.23Å; D256-K410 VanDerWaalsContact OD1-NZ 3.07Å; D256-K410 VanDerWaalsContact OD2-CD 3.24Å; D256-K410 WeakPolarHBondContact OD2-CD 3.36Å; D256-K410 WeakPolarHBondContact OD2-CE 3.17Å; D256-K410 IonicContact OD2-NZ 2.7Å; D256-K410 PolarHBondContact OD2-NZ 2.99Å; P408-K410 HydrophobicContact CB-CG 4.22Å; K410-D418 HydrophobicContact CB-CB 3.88Å; K410-D418 HydrophobicContact CG-CB 3.99Å; K410-D418 PolarHBondContact N-O 3.06Å
411N92.7Very high93Very high27 Ų2750.1 Ų50.114%0.14425%0.253CS..SBendtrans-116.7146.2-168.9-58.4-56.2000112.2R118 L119 A415 R417 D418 S419 P420R118-N411 PolarHBondContact NE-OD1 2.94Å; R118-N411 PolarHBondContact NH2-OD1 3.47Å; L119-N411 VanDerWaalsContact CD2-C 3.42Å; L119-N411 VanDerWaalsContact CD2-O 3.29Å; L119-N411 WeakPolarHBondContact CD2-O 3.49Å; N411-A415 HydrophobicContact CB-CB 3.52Å; N411-R417 PolarHBondContact ND2-O 3.42Å; N411-D418 PolarHBondContact N-O 2.76Å; N411-S419 WeakPolarHBondContact O-CA 2.9Å; N411-P420 WeakPolarHBondContact O-CD 3.15Å
412A90Very high92.9Very high34 Ų3448 Ų4828%0.28124%0.243SC..  trans-70.4160167.600000111.4R118 A415R118-A412 PolarHBondContact O-N 3.32Å; A412-A415 WeakPolarHBondContact O-CB 3.38Å; A412-A415 PolarHBondContact O-N 2.86Å; A412-A415 VanDerWaalsContact O-N 3.12Å
413E86.7Confident93Very high86 Ų8645.1 Ų45.140%0.40223%0.232SC..THydrogen-bonded Turntrans-60.3147.1163.9-66.4-59.7152.200110.6S419 P420 R421E413-S419 PolarHBondContact OE1-OG 2.81Å; E413-P420 HydrophobicContact CG-CG 4.37Å; E413-R421 WeakPolarHBondContact OE1-CB 3.14Å; E413-R421 PolarHBondContact OE1-N 2.9Å; E413-R421 IonicContact OE2-NE 2.9Å
414P87.9Confident93Very high117 Ų11743.4 Ų43.476%0.7622%0.222SC*.THydrogen-bonded Turncis-94.732.47.638.6-37000114.2D416P414-D416 PolarHBondContact O-N 3.44Å
415A86.8Confident93Very high30 Ų3043.5 Ų43.525%0.24822%0.222CC..  trans-58.4138.7-178.400000112.7N411 A412 R417 S419N411-A415 HydrophobicContact CB-CB 3.52Å; A412-A415 WeakPolarHBondContact O-CB 3.38Å; A412-A415 PolarHBondContact O-N 2.86Å; A412-A415 VanDerWaalsContact O-N 3.12Å; A415-R417 VanDerWaalsContact C-N 3.29Å; A415-R417 PolarHBondContact O-N 2.93Å; A415-S419 WeakPolarHBondContact O-CB 3.44Å; A415-S419 PolarHBondContact O-OG 3.1Å
416D86.7Confident92.9Very high121 Ų12144.4 Ų44.465%0.64723%0.23SC*.SBendtrans-81.3-5-178.8-68.4-45000114.5P414 R421P414-D416 PolarHBondContact O-N 3.44Å; D416-R421 IonicContact OD1-NH2 4Å; D416-R421 PolarHBondContact OD1-NH2 3.49Å
417R87.8Confident92.9Very high145 Ų14543.5 Ų43.555%0.54723%0.226SC..SBendtrans-139.7144.8-178-63.7-177.4179.8170.90.5110.7Y287 N411 A415 S419Y287-R417 PolarHBondContact OH-NH1 2.87Å; N411-R417 PolarHBondContact ND2-O 3.42Å; A415-R417 VanDerWaalsContact C-N 3.29Å; A415-R417 PolarHBondContact O-N 2.93Å; R417-S419 PolarHBondContact O-N 3.18Å
418D92.3Very high92.9Very high45 Ų4542.9 Ų42.924%0.24122%0.222CC..SBendtrans48.842.9175.4-47.4-35.7000112.8P408 K410 N411 T422P408-D418 HydrophobicContact CG-CB 4.19Å; P408-D418 WeakPolarHBondContact CG-OD1 3.31Å; P408-D418 CarbonylContact O-C 3.59Å; P408-D418 WeakPolarHBondContact O-CA 3.43Å; P408-D418 WeakPolarHBondContact O-CB 3.25Å; K410-D418 HydrophobicContact CB-CB 3.88Å; K410-D418 HydrophobicContact CG-CB 3.99Å; K410-D418 PolarHBondContact N-O 3.06Å; N411-D418 PolarHBondContact N-O 2.76Å; D418-T422 WeakPolarHBondContact CA-OG1 3.49Å; D418-T422 PolarHBondContact N-OG1 3.3Å
419S94.9Very high92.9Very high0 Ų043.3 Ų43.30%023%0.226CC..SBendtrans-112168.3-176.265.60000111.6L409 N411 E413 A415 R417 R421 T422 S423L409-S419 VanDerWaalsContact CD1-C 3.49Å; N411-S419 WeakPolarHBondContact O-CA 2.9Å; E413-S419 PolarHBondContact OE1-OG 2.81Å; A415-S419 WeakPolarHBondContact O-CB 3.44Å; A415-S419 PolarHBondContact O-OG 3.1Å; R417-S419 PolarHBondContact O-N 3.18Å; S419-R421 PolarHBondContact O-N 3Å; S419-T422 PolarHBondContact N-OG1 2.81Å; S419-T422 PolarHBondContact O-N 3.33Å; S419-T422 VanDerWaalsContact O-N 3.16Å; S419-T422 PolarHBondContact O-OG1 3.49Å; S419-T422 VanDerWaalsContact O-OG1 3.1Å; S419-T422 PolarHBondContact OG-N 3.28Å; S419-S423 PolarHBondContact O-N 3.16Å; S419-S423 PolarHBondContact O-OG 3.06Å
420P95.9Very high92.9Very high11 Ų1143.4 Ų43.47%0.07123%0.226CC..Hα-helixtrans-49.8-43.9174-28.334.9000112.5Y128 V130 L409 N411 E413 S423 R424Y128-P420 HydrophobicContact CE1-CB 4.03Å; Y128-P420 HydrophobicContact CE1-CG 3.64Å; Y128-P420 WeakPolarHBondContact OH-CG 3.32Å; V130-P420 HydrophobicContact CB-CB 4.46Å; L409-P420 HydrophobicContact CD1-CB 4.39Å; L409-P420 HydrophobicContact CD1-CG 3.84Å; L409-P420 VanDerWaalsContact CD1-N 3.31Å; N411-P420 WeakPolarHBondContact O-CD 3.15Å; E413-P420 HydrophobicContact CG-CG 4.37Å; P420-S423 PolarHBondContact O-N 3.16Å; P420-R424 VanDerWaalsContact O-CB 3.32Å; P420-R424 WeakPolarHBondContact O-CB 3.32Å; P420-R424 PolarHBondContact O-N 3.42Å
421R94.9Very high93.2Very high79 Ų7940.3 Ų40.330%0.29821%0.213SC..Hα-helixtrans-59.5-51.3176.6177.8173.960.6112.9-5112.4E413 D416 S419 S423 R424 Q425E413-R421 WeakPolarHBondContact OE1-CB 3.14Å; E413-R421 PolarHBondContact OE1-N 2.9Å; E413-R421 IonicContact OE2-NE 2.9Å; D416-R421 IonicContact OD1-NH2 4Å; D416-R421 PolarHBondContact OD1-NH2 3.49Å; S419-R421 PolarHBondContact O-N 3Å; R421-S423 VanDerWaalsContact C-N 3.35Å; R421-S423 PolarHBondContact O-N 3.18Å; R421-R424 PolarHBondContact O-N 2.89Å; R421-Q425 WeakPolarHBondContact O-CB 3.45Å; R421-Q425 VanDerWaalsContact O-CG 3.27Å; R421-Q425 WeakPolarHBondContact O-CG 3.38Å; R421-Q425 PolarHBondContact O-N 2.83Å
422T94.4Very high93.3Very high27 Ų2739.1 Ų39.117%0.16621%0.206CC..Hα-helixtrans-67.9-35.2-178600000112.1S407 D418 S419 A426S407-T422 PolarHBondContact OG-O 3.02Å; D418-T422 WeakPolarHBondContact CA-OG1 3.49Å; D418-T422 PolarHBondContact N-OG1 3.3Å; S419-T422 PolarHBondContact N-OG1 2.81Å; S419-T422 PolarHBondContact O-N 3.33Å; S419-T422 VanDerWaalsContact O-N 3.16Å; S419-T422 PolarHBondContact O-OG1 3.49Å; S419-T422 VanDerWaalsContact O-OG1 3.1Å; S419-T422 PolarHBondContact OG-N 3.28Å; T422-A426 VanDerWaalsContact O-CB 3.32Å; T422-A426 WeakPolarHBondContact O-CB 3.29Å; T422-A426 PolarHBondContact O-N 3.42Å
423S96.1Very high93.6Very high0 Ų039.4 Ų39.40%020%0.2CC..Hα-helixtrans-64.1-48.2173.8-63.30000111.7I258 S407 P408 S419 P420 R421 Q425 A426 L427I258-S423 WeakPolarHBondContact CG2-O 3.07Å; S407-S423 WeakPolarHBondContact OG-CA 3.25Å; P408-S423 PolarHBondContact O-OG 3.06Å; S419-S423 PolarHBondContact O-N 3.16Å; S419-S423 PolarHBondContact O-OG 3.06Å; P420-S423 PolarHBondContact O-N 3.16Å; R421-S423 VanDerWaalsContact C-N 3.35Å; R421-S423 PolarHBondContact O-N 3.18Å; S423-Q425 PolarHBondContact O-N 2.82Å; S423-A426 PolarHBondContact O-N 2.96Å; S423-L427 PolarHBondContact O-N 3.05Å
424R96.3Very high94.1Very high51 Ų5135.9 Ų35.919%0.19218%0.183CC..Hα-helixtrans-57.3-49.7175176.5-174.9170.9-85.1-1.4111.3V130 G131 L132 P420 R421 A426 L427 L428 D461V130-R424 HydrophobicContact CB-CB 4.38Å; V130-R424 HydrophobicContact CG2-CB 4Å; G131-R424 WeakPolarHBondContact O-CD 3.3Å; G131-R424 PolarHBondContact O-NE 3.37Å; L132-R424 HydrophobicContact CD2-CG 4.15Å; P420-R424 VanDerWaalsContact O-CB 3.32Å; P420-R424 WeakPolarHBondContact O-CB 3.32Å; P420-R424 PolarHBondContact O-N 3.42Å; R421-R424 PolarHBondContact O-N 2.89Å; R424-A426 PolarHBondContact O-N 3.14Å; R424-L427 PolarHBondContact O-N 3.38Å; R424-L428 HydrophobicContact CG-CD1 3.79Å; R424-L428 HydrophobicContact CG-CG 4.48Å; R424-L428 WeakPolarHBondContact O-CG 3.48Å; R424-L428 PolarHBondContact O-N 2.76Å; R424-L428 VanDerWaalsContact O-N 3.08Å; R424-D461 IonicContact CZ-OD2 2.61Å; R424-D461 IonicContact NH1-OD1 3.97Å; R424-D461 PolarHBondContact NH1-OD1 2.91Å; R424-D461 IonicContact NH1-OD2 4Å; R424-D461 PolarHBondContact NH1-OD2 3.44Å; R424-D461 IonicContact NH2-OD2 3.85Å; R424-D461 PolarHBondContact NH2-OD2 2.74Å
425Q95.3Very high94.5Very high27 Ų2730.3 Ų30.313%0.12615%0.147CC..Hα-helixtrans-59.8-44.7-179.1-78.5174.5-19.200112.1R421 S423 L427 L428 A429 D461R421-Q425 WeakPolarHBondContact O-CB 3.45Å; R421-Q425 VanDerWaalsContact O-CG 3.27Å; R421-Q425 WeakPolarHBondContact O-CG 3.38Å; R421-Q425 PolarHBondContact O-N 2.83Å; S423-Q425 PolarHBondContact O-N 2.82Å; Q425-L427 PolarHBondContact O-N 2.96Å; Q425-L428 PolarHBondContact O-N 2.99Å; Q425-A429 WeakPolarHBondContact O-CB 3.36Å; Q425-A429 PolarHBondContact O-N 3.47Å; Q425-D461 WeakPolarHBondContact CG-OD1 3.35Å; Q425-D461 PolarHBondContact NE2-OD1 3.24Å
426A95.5Very high94.9Very high23 Ų2330.5 Ų30.519%0.1914%0.144CC..Hα-helixtrans-62.4-40.6179.800000112.8L259 S407 T422 S423 R424 A429 Q430L259-A426 HydrophobicContact CD1-CB 4.14Å; S407-A426 VanDerWaalsContact CB-CB 3.45Å; S407-A426 VanDerWaalsContact OG-CB 3.31Å; S407-A426 WeakPolarHBondContact OG-CB 3.27Å; T422-A426 VanDerWaalsContact O-CB 3.32Å; T422-A426 WeakPolarHBondContact O-CB 3.29Å; T422-A426 PolarHBondContact O-N 3.42Å; S423-A426 PolarHBondContact O-N 2.96Å; R424-A426 PolarHBondContact O-N 3.14Å; A426-A429 WeakPolarHBondContact O-CB 3.31Å; A426-Q430 WeakPolarHBondContact O-CB 3.31Å; A426-Q430 PolarHBondContact O-N 3.31Å
427L97.4Very high95.3Very high0 Ų031.9 Ų31.90%015%0.146CC..Hα-helixtrans-68.9-44.8177.6-170.971.5000111.9L132 L141 I258 L259 S423 R424 Q425 A429 Q430 H431L132-L427 HydrophobicContact CD1-CD2 3.55Å; L132-L427 HydrophobicContact CD2-CB 4.4Å; L132-L427 HydrophobicContact CD2-CD2 3.74Å; L132-L427 HydrophobicContact CG-CD2 4.29Å; L141-L427 HydrophobicContact CD1-CD2 4.24Å; I258-L427 HydrophobicContact CD1-CB 4.26Å; I258-L427 HydrophobicContact CD1-CD2 4.06Å; I258-L427 HydrophobicContact CG1-CB 4.5Å; I258-L427 HydrophobicContact CG1-CD2 4.17Å; L259-L427 HydrophobicContact CD2-CB 4.06Å; L259-L427 HydrophobicContact CD2-CD1 3.6Å; L259-L427 HydrophobicContact CD2-CG 4.45Å; S423-L427 PolarHBondContact O-N 3.05Å; R424-L427 PolarHBondContact O-N 3.38Å; Q425-L427 PolarHBondContact O-N 2.96Å; L427-A429 VanDerWaalsContact C-N 3.32Å; L427-A429 PolarHBondContact O-N 3.43Å; L427-Q430 WeakPolarHBondContact O-CB 3.34Å; L427-Q430 PolarHBondContact O-N 2.86Å; L427-H431 PolarHBondContact O-N 3.31Å
428L96.6Very high95.7Very high0 Ų025.2 Ų25.20%012%0.122CC..Hα-helixtrans-66.2-36.8178.3-63.5174.3000111.8L132 P133 R424 Q425 H431 Y432 P462 I465 C466 E467L132-L428 HydrophobicContact CD2-CD2 4.18Å; L132-L428 HydrophobicContact CD2-CG 4.23Å; P133-L428 HydrophobicContact CG-CD2 4.37Å; R424-L428 HydrophobicContact CG-CD1 3.79Å; R424-L428 HydrophobicContact CG-CG 4.48Å; R424-L428 WeakPolarHBondContact O-CG 3.48Å; R424-L428 PolarHBondContact O-N 2.76Å; R424-L428 VanDerWaalsContact O-N 3.08Å; Q425-L428 PolarHBondContact O-N 2.99Å; L428-H431 PolarHBondContact O-N 3.06Å; L428-Y432 VanDerWaalsContact O-CB 3.24Å; L428-Y432 WeakPolarHBondContact O-CB 3.41Å; L428-Y432 PolarHBondContact O-N 3.09Å; L428-P462 HydrophobicContact CB-CG 4.12Å; L428-I465 HydrophobicContact CD1-CD1 4.19Å; L428-I465 HydrophobicContact CD1-CG2 4.17Å; L428-I465 HydrophobicContact CD2-CG2 4.21Å; L428-C466 WeakPolarHBondContact CD2-O 3.46Å; L428-E467 HydrophobicContact CD2-CB 4.04Å
429A95.4Very high95.9Very high14 Ų1424.5 Ų24.512%0.11613%0.126CC..Hα-helixtrans-58.4-47.2171.900000112.2Q425 A426 L427 R433 L456Q425-A429 WeakPolarHBondContact O-CB 3.36Å; Q425-A429 PolarHBondContact O-N 3.47Å; A426-A429 WeakPolarHBondContact O-CB 3.31Å; L427-A429 VanDerWaalsContact C-N 3.32Å; L427-A429 PolarHBondContact O-N 3.43Å; A429-R433 WeakPolarHBondContact O-CG 3.26Å; A429-R433 PolarHBondContact O-N 3.22Å; A429-R433 VanDerWaalsContact O-N 3.09Å; A429-L456 VanDerWaalsContact CA-CD1 3.44Å; A429-L456 HydrophobicContact CB-CD1 3.17Å
430Q96Very high95.9Very high3 Ų324.6 Ų24.61%0.01413%0.127CC..Hα-helixtrans-60.1-52.2176.1173.6175.562.500111.2E404 A426 L427 Y432 R433 W434E404-Q430 VanDerWaalsContact CA-NE2 3.28Å; E404-Q430 PolarHBondContact O-NE2 3.46Å; E404-Q430 PolarHBondContact OE2-NE2 2.95Å; A426-Q430 WeakPolarHBondContact O-CB 3.31Å; A426-Q430 PolarHBondContact O-N 3.31Å; L427-Q430 WeakPolarHBondContact O-CB 3.34Å; L427-Q430 PolarHBondContact O-N 2.86Å; Q430-Y432 VanDerWaalsContact C-N 3.32Å; Q430-Y432 PolarHBondContact O-N 3.18Å; Q430-R433 PolarHBondContact O-N 3.23Å; Q430-R433 VanDerWaalsContact O-N 3.12Å; Q430-W434 HydrophobicContact CG-CD2 3.97Å; Q430-W434 HydrophobicContact CG-CE3 4.49Å; Q430-W434 HydrophobicContact CG-CH2 4.01Å; Q430-W434 HydrophobicContact CG-CZ2 3.42Å; Q430-W434 VanDerWaalsContact CG-CZ2 3.42Å; Q430-W434 VanDerWaalsContact NE2-CZ2 3.27Å; Q430-W434 PolarHBondContact O-N 3.03Å
431H97.6Very high95.8Very high6 Ų629.4 Ų29.43%0.02814%0.143CC..Hα-helixtrans-63-37.5-178.9-66.2168.8000112.9L427 L428 W434 A435 C466 I468L427-H431 PolarHBondContact O-N 3.31Å; L428-H431 PolarHBondContact O-N 3.06Å; H431-W434 AromaticContact CD2-CE3 3.68Å; H431-W434 AromaticContact CD2-CZ3 3.6Å; H431-W434 AromaticContact NE2-CZ3 3.91Å; H431-W434 PolarHBondContact O-N 3.18Å; H431-A435 WeakPolarHBondContact O-CB 3.29Å; H431-A435 PolarHBondContact O-N 2.86Å; H431-C466 WeakPolarHBondContact CB-O 3.31Å; H431-I468 HydrophobicContact CB-CB 4.47Å; H431-I468 HydrophobicContact CB-CD1 4.02Å; H431-I468 HydrophobicContact CB-CG1 4.18Å; H431-I468 PolarHBondContact CE1-O 3.31Å; H431-I468 PolarHBondContact ND1-N 3.39Å
432Y95.9Very high95.8Very high2 Ų226 Ų261%0.00813%0.131CC..Hα-helixtrans-59.7-46.4172.5174.8-103.1000111.7L428 Q430 W434 A435 L436 F442 P451 L453 L456 P462 P463 A464L428-Y432 VanDerWaalsContact O-CB 3.24Å; L428-Y432 WeakPolarHBondContact O-CB 3.41Å; L428-Y432 PolarHBondContact O-N 3.09Å; Q430-Y432 VanDerWaalsContact C-N 3.32Å; Q430-Y432 PolarHBondContact O-N 3.18Å; Y432-W434 PolarHBondContact O-N 2.84Å; Y432-A435 PolarHBondContact O-N 2.87Å; Y432-L436 HydrophobicContact CD1-CD1 4.2Å; Y432-L436 HydrophobicContact CE1-CD1 3.48Å; Y432-L436 VanDerWaalsContact CE1-CD1 3.48Å; Y432-L436 HydrophobicContact CE1-CG 4.14Å; Y432-L436 HydrophobicContact CE2-CD1 4.21Å; Y432-L436 HydrophobicContact CE2-CD2 4.21Å; Y432-L436 HydrophobicContact CE2-CG 4.15Å; Y432-L436 VanDerWaalsContact CZ-CD1 3.5Å; Y432-L436 WeakPolarHBondContact O-CG 3.48Å; Y432-L436 PolarHBondContact O-N 2.78Å; Y432-F442 HydrophobicContact CD2-CD2 4.05Å; Y432-F442 AromaticContact CD2-CE2 3.87Å; Y432-F442 HydrophobicContact CD2-CE2 3.87Å; Y432-F442 AromaticContact CE2-CD2 3.74Å; Y432-F442 HydrophobicContact CE2-CD2 3.74Å; Y432-F442 HydrophobicContact CE2-CE2 4.01Å; Y432-P451 PolarHBondContact OH-O 3.42Å; Y432-P451 VanDerWaalsContact OH-O 3.05Å; Y432-L453 WeakPolarHBondContact CE1-O 3.33Å; Y432-L456 HydrophobicContact CD1-CD2 3.87Å; Y432-L456 HydrophobicContact CE1-CD2 3.96Å; Y432-P462 HydrophobicContact CD1-CB 4.02Å; Y432-P462 HydrophobicContact CD2-CB 4.44Å; Y432-P462 HydrophobicContact CG-CB 3.89Å; Y432-P463 HydrophobicContact CE1-CG 4.44Å; Y432-A464 HydrophobicContact CD2-CB 3.99Å; Y432-A464 WeakPolarHBondContact CD2-O 3.3Å; Y432-A464 HydrophobicContact CE2-CB 3.82Å
433R95.4Very high95.8Very high41 Ų4125.6 Ų25.616%0.15513%0.128CC..Hα-helixtrans-62-43.5176.2-71.3-171.1-56.1-126.9-2.1112.1E403 E404 A429 Q430 A435 L436 Q437 L456E403-R433 VanDerWaalsContact CG-NH2 3.33Å; E403-R433 PolarHBondContact O-NH2 2.89Å; E404-R433 IonicContact OE1-CZ 2.94Å; E404-R433 IonicContact OE1-NE 2.75Å; E404-R433 IonicContact OE1-NH2 3.92Å; E404-R433 PolarHBondContact OE1-NH2 3.35Å; A429-R433 WeakPolarHBondContact O-CG 3.26Å; A429-R433 PolarHBondContact O-N 3.22Å; A429-R433 VanDerWaalsContact O-N 3.09Å; Q430-R433 PolarHBondContact O-N 3.23Å; Q430-R433 VanDerWaalsContact O-N 3.12Å; R433-A435 VanDerWaalsContact C-N 3.35Å; R433-L436 PolarHBondContact O-N 2.94Å; R433-Q437 WeakPolarHBondContact O-CB 3.45Å; R433-Q437 VanDerWaalsContact O-CG 3.25Å; R433-Q437 WeakPolarHBondContact O-CG 3.28Å; R433-Q437 PolarHBondContact O-N 3.21Å; R433-L456 HydrophobicContact CG-CD1 4.5Å
434W96.9Very high95.4Very high12 Ų1227.8 Ų27.85%0.04514%0.139CC..Hα-helixtrans-61.3-43.9176.6-64.1-9.8000111.6E404 Q430 H431 Y432 Q437 A438 I468 S475 L479E404-W434 PolarHBondContact OE2-NE1 2.88Å; E404-W434 VanDerWaalsContact OE2-NE1 3.13Å; Q430-W434 HydrophobicContact CG-CD2 3.97Å; Q430-W434 HydrophobicContact CG-CE3 4.49Å; Q430-W434 HydrophobicContact CG-CH2 4.01Å; Q430-W434 HydrophobicContact CG-CZ2 3.42Å; Q430-W434 VanDerWaalsContact CG-CZ2 3.42Å; Q430-W434 VanDerWaalsContact NE2-CZ2 3.27Å; Q430-W434 PolarHBondContact O-N 3.03Å; H431-W434 AromaticContact CD2-CE3 3.68Å; H431-W434 AromaticContact CD2-CZ3 3.6Å; H431-W434 AromaticContact NE2-CZ3 3.91Å; H431-W434 PolarHBondContact O-N 3.18Å; Y432-W434 PolarHBondContact O-N 2.84Å; W434-Q437 PolarHBondContact O-N 2.8Å; W434-A438 WeakPolarHBondContact O-CB 3.2Å; W434-A438 PolarHBondContact O-N 3.21Å; W434-I468 HydrophobicContact CB-CD1 4.26Å; W434-I468 HydrophobicContact CE3-CD1 4.29Å; W434-S475 VanDerWaalsContact CZ2-C 3.43Å; W434-L479 HydrophobicContact CB-CD1 3.67Å
435A96.7Very high94.9Very high0 Ų029.4 Ų29.40%016%0.163CC..Hα-helixtrans-62.2-44.9177.900000112.4H431 Y432 R433 A438 G439 A440 F442 L483H431-A435 WeakPolarHBondContact O-CB 3.29Å; H431-A435 PolarHBondContact O-N 2.86Å; Y432-A435 PolarHBondContact O-N 2.87Å; R433-A435 VanDerWaalsContact C-N 3.35Å; A435-A438 CarbonylContact O-C 3.56Å; A435-A438 PolarHBondContact O-N 3.24Å; A435-G439 PolarHBondContact O-N 2.84Å; A435-A440 HydrophobicContact CB-CB 3.93Å; A435-A440 WeakPolarHBondContact O-CB 3.35Å; A435-A440 PolarHBondContact O-N 2.83Å; A435-F442 HydrophobicContact CB-CE2 3.93Å; A435-F442 HydrophobicContact CB-CZ 3.8Å; A435-L483 HydrophobicContact CB-CD1 3.8Å
436L94.8Very high94.4Very high34 Ų3436.3 Ų36.318%0.17820%0.195CC..Hα-helixtrans-62.5-43.5175.2-69.9-170.7000112.1Y432 R433 A438 G439 F442 E452Y432-L436 HydrophobicContact CD1-CD1 4.2Å; Y432-L436 HydrophobicContact CE1-CD1 3.48Å; Y432-L436 VanDerWaalsContact CE1-CD1 3.48Å; Y432-L436 HydrophobicContact CE1-CG 4.14Å; Y432-L436 HydrophobicContact CE2-CD1 4.21Å; Y432-L436 HydrophobicContact CE2-CD2 4.21Å; Y432-L436 HydrophobicContact CE2-CG 4.15Å; Y432-L436 VanDerWaalsContact CZ-CD1 3.5Å; Y432-L436 WeakPolarHBondContact O-CG 3.48Å; Y432-L436 PolarHBondContact O-N 2.78Å; R433-L436 PolarHBondContact O-N 2.94Å; L436-A438 PolarHBondContact O-N 3.46Å; L436-G439 PolarHBondContact O-N 3.07Å; L436-F442 HydrophobicContact CD2-CD2 4.19Å; L436-F442 HydrophobicContact CD2-CE2 4.3Å; L436-E452 HydrophobicContact CD2-CG 4.19Å
437Q95.1Very high93.9Very high149 Ų14937 Ų3770%0.69620%0.204SC*.Hα-helixtrans-61.1-33.2176.9-74.11711.900111.9R433 W434 G439R433-Q437 WeakPolarHBondContact O-CB 3.45Å; R433-Q437 VanDerWaalsContact O-CG 3.25Å; R433-Q437 WeakPolarHBondContact O-CG 3.28Å; R433-Q437 PolarHBondContact O-N 3.21Å; W434-Q437 PolarHBondContact O-N 2.8Å; Q437-G439 PolarHBondContact O-N 3.32Å
438A96.7Very high93.5Very high5 Ų539.2 Ų39.24%0.04122%0.223CC..THydrogen-bonded Turntrans-79.4-0.3174.800000114.2W434 A435 L436 L479 E480 L483 Q484W434-A438 WeakPolarHBondContact O-CB 3.2Å; W434-A438 PolarHBondContact O-N 3.21Å; A435-A438 CarbonylContact O-C 3.56Å; A435-A438 PolarHBondContact O-N 3.24Å; L436-A438 PolarHBondContact O-N 3.46Å; A438-L479 HydrophobicContact CB-CB 3.52Å; A438-E480 HydrophobicContact CB-CG 4.39Å; A438-L483 HydrophobicContact CB-CB 4.14Å; A438-L483 HydrophobicContact CB-CD1 4.11Å; A438-Q484 VanDerWaalsContact O-CA 3.31Å; A438-Q484 WeakPolarHBondContact O-CA 3.45Å; A438-Q484 PolarHBondContact O-N 3.24Å
439G95.5Very high93.2Very high31 Ų3145.4 Ų45.432%0.3225%0.246SC..THydrogen-bonded Turntrans87.617.8176.800000115.4A435 L436 Q437 L483 G485A435-G439 PolarHBondContact O-N 2.84Å; L436-G439 PolarHBondContact O-N 3.07Å; Q437-G439 PolarHBondContact O-N 3.32Å; G439-L483 CarbonylContact C-O 3.55Å; G439-G485 PolarHBondContact O-N 2.83Å
440A95.3Very high92.8Very high2 Ų246.5 Ų46.52%0.01725%0.25CC..  trans-68.8151.5171.500000111.6A435 F442 L483 F488A435-A440 HydrophobicContact CB-CB 3.93Å; A435-A440 WeakPolarHBondContact O-CB 3.35Å; A435-A440 PolarHBondContact O-N 2.83Å; A440-F442 HydrophobicContact CB-CE2 4.15Å; A440-F442 HydrophobicContact CB-CZ 4.31Å; A440-L483 HydrophobicContact CB-CB 3.98Å; A440-L483 HydrophobicContact CB-CD1 4.22Å; A440-L483 HydrophobicContact CB-CG 4.49Å; A440-F488 HydrophobicContact CB-CD2 4.2Å; A440-F488 HydrophobicContact CB-CE2 4.16Å
441R94.6Very high92.2Very high112 Ų11249.9 Ų49.942%0.42327%0.272SS..EExtended strand (participates in β ladder)trans-128.4142.4173.1-73.8160.8156.7-151.410.5109.9W449 R486 E487 F488R441-W449 HydrophobicContact CB-CE3 4.35Å; R441-W449 HydrophobicContact CB-CH2 3.98Å; R441-W449 HydrophobicContact CB-CZ3 3.45Å; R441-W449 VanDerWaalsContact CB-CZ3 3.45Å; R441-W449 VanDerWaalsContact CD-CZ3 3.43Å; R441-W449 HydrophobicContact CG-CH2 4.15Å; R441-W449 HydrophobicContact CG-CZ3 3.53Å; R441-W449 VanDerWaalsContact NH1-CH2 3.35Å; R441-R486 PolarHBondContact N-O 2.98Å; R441-E487 HydrophobicContact CB-CG 4.04Å; R441-E487 CarbonylContact O-C 3.48Å; R441-E487 WeakPolarHBondContact O-CA 3.18Å; R441-F488 PolarHBondContact O-N 3.36Å
442F94.8Very high91.5Very high6 Ų654.9 Ų54.93%0.02630%0.295CS..EExtended strand (participates in β ladder)trans-118138.4-174.4-67.7-78.7000112.8Y432 A435 L436 A440 L450 A464 C466 F488 F492Y432-F442 HydrophobicContact CD2-CD2 4.05Å; Y432-F442 AromaticContact CD2-CE2 3.87Å; Y432-F442 HydrophobicContact CD2-CE2 3.87Å; Y432-F442 AromaticContact CE2-CD2 3.74Å; Y432-F442 HydrophobicContact CE2-CD2 3.74Å; Y432-F442 HydrophobicContact CE2-CE2 4.01Å; A435-F442 HydrophobicContact CB-CE2 3.93Å; A435-F442 HydrophobicContact CB-CZ 3.8Å; L436-F442 HydrophobicContact CD2-CD2 4.19Å; L436-F442 HydrophobicContact CD2-CE2 4.3Å; A440-F442 HydrophobicContact CB-CE2 4.15Å; A440-F442 HydrophobicContact CB-CZ 4.31Å; F442-L450 HydrophobicContact CB-CB 4.36Å; F442-L450 HydrophobicContact CB-CD1 4.05Å; F442-L450 PolarHBondContact O-N 3.42Å; F442-A464 HydrophobicContact CB-CB 3.44Å; F442-A464 VanDerWaalsContact CB-CB 3.44Å; F442-A464 HydrophobicContact CD1-CB 3.68Å; F442-A464 HydrophobicContact CD2-CB 3.8Å; F442-A464 HydrophobicContact CE1-CB 4.37Å; F442-A464 HydrophobicContact CE2-CB 4.47Å; F442-A464 HydrophobicContact CG-CB 3.35Å; F442-C466 HydrophobicContact CE1-CB 4.05Å; F442-C466 HydrophobicContact CZ-CB 3.73Å; F442-F488 CarbonylContact C-O 3.41Å; F442-F488 WeakPolarHBondContact CA-O 3.22Å; F442-F488 HydrophobicContact CD1-CB 4.02Å; F442-F488 HydrophobicContact CE1-CB 4.04Å; F442-F492 HydrophobicContact CE1-CB 4.15Å; F442-F492 HydrophobicContact CE1-CD1 4.27Å
443L93.4Very high90.7Very high20 Ų2058.5 Ų58.511%0.10531%0.314CS..EExtended strand (participates in β ladder)trans-112.3146.4176.8-55.1177.1000110.3A448 W449 E487 F488 Q489 S490L443-A448 CarbonylContact C-O 3.58Å; L443-A448 VanDerWaalsContact CA-O 3.26Å; L443-A448 WeakPolarHBondContact CA-O 3.41Å; L443-W449 HydrophobicContact CD2-CD2 4.11Å; L443-W449 HydrophobicContact CD2-CG 4.23Å; L443-E487 HydrophobicContact CD1-CB 4.21Å; L443-E487 HydrophobicContact CG-CB 4.44Å; L443-F488 PolarHBondContact N-O 2.69Å; L443-Q489 HydrophobicContact CB-CG 4.49Å; L443-S490 PolarHBondContact O-N 3.07Å; L443-S490 VanDerWaalsContact O-N 3.09Å
444D88.1Confident89.1Confident46 Ų4661.5 Ų61.525%0.24634%0.34CS..  trans-76.1-179.5170.176.74.6000111.9H446 G447 A448 L450D444-H446 PolarHBondContact O-N 3.45Å; D444-H446 VanDerWaalsContact OD1-C 3.3Å; D444-H446 VanDerWaalsContact OD1-CA 3.29Å; D444-H446 WeakPolarHBondContact OD1-CA 3.48Å; D444-H446 WeakPolarHBondContact OD1-CB 3.43Å; D444-H446 PolarHBondContact OD1-N 3.39Å; D444-G447 PolarHBondContact O-N 3.38Å; D444-G447 VanDerWaalsContact O-N 3.07Å; D444-G447 PolarHBondContact OD1-N 3.11Å; D444-A448 PolarHBondContact N-O 3.48Å; D444-A448 PolarHBondContact OD1-N 3.09Å; D444-L450 HydrophobicContact CB-CD1 4.48Å; D444-L450 HydrophobicContact CB-CD2 3.9Å; D444-L450 HydrophobicContact CB-CG 4.12Å
445A85.6Confident87.5Confident84 Ų8463.7 Ų63.769%0.69437%0.366SS*.THydrogen-bonded Turntrans-63.2-12.8179.600000114.2
446H86.2Confident86.2Confident172 Ų17265.7 Ų65.780%0.79638%0.376SS*.THydrogen-bonded Turntrans-106.94.5179.3-57.2-55.8000112.6D444 A448D444-H446 PolarHBondContact O-N 3.45Å; D444-H446 VanDerWaalsContact OD1-C 3.3Å; D444-H446 VanDerWaalsContact OD1-CA 3.29Å; D444-H446 WeakPolarHBondContact OD1-CA 3.48Å; D444-H446 WeakPolarHBondContact OD1-CB 3.43Å; D444-H446 PolarHBondContact OD1-N 3.39Å; H446-A448 VanDerWaalsContact C-N 3.33Å
447G85.1Confident84.5Confident37 Ų3767.1 Ų67.138%0.38139%0.387SS..SBendtrans78.314.5-179.200000114D444D444-G447 PolarHBondContact O-N 3.38Å; D444-G447 VanDerWaalsContact O-N 3.07Å; D444-G447 PolarHBondContact OD1-N 3.11Å
448A88.9Confident82.7Confident47 Ų4766 Ų6639%0.38839%0.393SS..PPolyproline II helixtrans-87.1149.4173.800000111L443 D444 H446 L450L443-A448 CarbonylContact C-O 3.58Å; L443-A448 VanDerWaalsContact CA-O 3.26Å; L443-A448 WeakPolarHBondContact CA-O 3.41Å; D444-A448 PolarHBondContact N-O 3.48Å; D444-A448 PolarHBondContact OD1-N 3.09Å; H446-A448 VanDerWaalsContact C-N 3.33Å; A448-L450 PolarHBondContact O-N 3.42Å
449W89.9Confident81Confident131 Ų13172 Ų7250%0.49643%0.425SS..BIsolated β-bridgetrans-66.1126.6179.8-69.378.8000111.5R441 L443 E487R441-W449 HydrophobicContact CB-CE3 4.35Å; R441-W449 HydrophobicContact CB-CH2 3.98Å; R441-W449 HydrophobicContact CB-CZ3 3.45Å; R441-W449 VanDerWaalsContact CB-CZ3 3.45Å; R441-W449 VanDerWaalsContact CD-CZ3 3.43Å; R441-W449 HydrophobicContact CG-CH2 4.15Å; R441-W449 HydrophobicContact CG-CZ3 3.53Å; R441-W449 VanDerWaalsContact NH1-CH2 3.35Å; L443-W449 HydrophobicContact CD2-CD2 4.11Å; L443-W449 HydrophobicContact CD2-CG 4.23Å; W449-E487 HydrophobicContact CH2-CG 3.83Å; W449-E487 WeakPolarHBondContact CH2-OE1 3.31Å; W449-E487 HydrophobicContact CZ2-CG 4.28Å; W449-E487 WeakPolarHBondContact CZ2-OE1 3.42Å
450L86.9Confident79.9Confident36 Ų3671.8 Ų71.819%0.18842%0.422CS..PPolyproline II helixtrans-79.7145.9170.2-70.6167.3000110F442 D444 A448 E452 P463 A464F442-L450 HydrophobicContact CB-CB 4.36Å; F442-L450 HydrophobicContact CB-CD1 4.05Å; F442-L450 PolarHBondContact O-N 3.42Å; D444-L450 HydrophobicContact CB-CD1 4.48Å; D444-L450 HydrophobicContact CB-CD2 3.9Å; D444-L450 HydrophobicContact CB-CG 4.12Å; A448-L450 PolarHBondContact O-N 3.42Å; L450-E452 PolarHBondContact O-N 2.83Å; L450-P463 WeakPolarHBondContact CD1-O 3.44Å; L450-A464 HydrophobicContact CD1-CB 3.78Å
451P83.1Confident79.3Confident74 Ų7474.6 Ų74.648%0.48144%0.437SS..PPolyproline II helixtrans-67.8127.1-177.427.8-34.5000111.3Y432 L453 P463Y432-P451 PolarHBondContact OH-O 3.42Å; Y432-P451 VanDerWaalsContact OH-O 3.05Å; P451-L453 HydrophobicContact CB-CD1 4.49Å; P451-L453 HydrophobicContact CB-CG 4.23Å; P451-L453 HydrophobicContact CG-CD1 4.35Å; P451-L453 PolarHBondContact O-N 2.75Å; P451-P463 HydrophobicContact CG-CB 4.22Å; P451-P463 HydrophobicContact CG-CG 4.5Å
452E82.6Confident78.9Confident111 Ų11169.6 Ų69.652%0.51942%0.419SS..  trans-73.590.1172.3-66.8-179.7-166.500109.6L436 L450 P454L436-E452 HydrophobicContact CD2-CG 4.19Å; L450-E452 PolarHBondContact O-N 2.83Å; E452-P454 VanDerWaalsContact O-CD 3.29Å; E452-P454 WeakPolarHBondContact O-CD 3.43Å
453L78.7Confident78.6Confident78 Ų7871 Ų7141%0.40843%0.429SS..  trans-103100.3175.7-66.1173.7000110.6Y432 P451 G455 P463Y432-L453 WeakPolarHBondContact CE1-O 3.33Å; P451-L453 HydrophobicContact CB-CD1 4.49Å; P451-L453 HydrophobicContact CB-CG 4.23Å; P451-L453 HydrophobicContact CG-CD1 4.35Å; P451-L453 PolarHBondContact O-N 2.75Å; L453-G455 PolarHBondContact O-N 2.84Å; L453-P463 HydrophobicContact CB-CG 4.19Å; L453-P463 HydrophobicContact CD1-CG 3.99Å; L453-P463 HydrophobicContact CG-CG 4.39Å
454P62.9Low78.5Confident105 Ų10570 Ų7068%0.68242%0.424SS*.SBendtrans-65.6-29.7174.82.71.7000112.1E452E452-P454 VanDerWaalsContact O-CD 3.29Å; E452-P454 WeakPolarHBondContact O-CD 3.43Å
455G63.1Low78.8Confident58 Ų5869.1 Ų69.160%0.59842%0.419SS*.SBendtrans-94.5117.2170.700000110.5L453L453-G455 PolarHBondContact O-N 2.84Å
456L68.5Low79.3Confident41 Ų4165.1 Ų65.122%0.21539%0.386CS..PPolyproline II helixtrans-86.8149.1-175.8-68.9170000111.8A429 Y432 R433 P462A429-L456 VanDerWaalsContact CA-CD1 3.44Å; A429-L456 HydrophobicContact CB-CD1 3.17Å; Y432-L456 HydrophobicContact CD1-CD2 3.87Å; Y432-L456 HydrophobicContact CE1-CD2 3.96Å; R433-L456 HydrophobicContact CG-CD1 4.5Å; L456-P462 HydrophobicContact CD1-CB 4.44Å; L456-P462 HydrophobicContact CD2-CB 3.68Å
457P60.3Low79.9Confident64 Ų6457 Ų5742%0.41635%0.348SS..PPolyproline II helixtrans-59.5139.3174.624.1-31.9000110N459P457-N459 PolarHBondContact O-N 2.94Å
458P56.4Low80.5Confident126 Ų12655.3 Ų55.382%0.81833%0.33SS*.THydrogen-bonded Turntrans-63.8-17.4-17321.2-31.2000114.1
459N61.8Low81Confident131 Ų13153.2 Ų53.270%0.70131%0.312SS*.THydrogen-bonded Turntrans-143.860.9-175.2-72.6-34.1000111.9P457P457-N459 PolarHBondContact O-N 2.94Å
460G71.9Confident81.4Confident26 Ų2647.2 Ų47.227%0.26829%0.291SS..SBendtrans-163.4163179.100000113.3
461D82.3Confident81.9Confident61 Ų6146.1 Ų46.133%0.32629%0.285SS..  trans-63.4149164.5-77.112.9000109.2R424 Q425 I465R424-D461 IonicContact CZ-OD2 2.61Å; R424-D461 IonicContact NH1-OD1 3.97Å; R424-D461 PolarHBondContact NH1-OD1 2.91Å; R424-D461 IonicContact NH1-OD2 4Å; R424-D461 PolarHBondContact NH1-OD2 3.44Å; R424-D461 IonicContact NH2-OD2 3.85Å; R424-D461 PolarHBondContact NH2-OD2 2.74Å; Q425-D461 WeakPolarHBondContact CG-OD1 3.35Å; Q425-D461 PolarHBondContact NE2-OD1 3.24Å; D461-I465 HydrophobicContact CB-CD1 3.81Å; D461-I465 WeakPolarHBondContact OD2-CD1 3.45Å
462P86.9Confident82.7Confident8 Ų842.9 Ų42.95%0.05226%0.264CS..  trans-59.3158.5172.226.5-35.1000111.3L428 Y432 L456 A464 I465L428-P462 HydrophobicContact CB-CG 4.12Å; Y432-P462 HydrophobicContact CD1-CB 4.02Å; Y432-P462 HydrophobicContact CD2-CB 4.44Å; Y432-P462 HydrophobicContact CG-CB 3.89Å; L456-P462 HydrophobicContact CD1-CB 4.44Å; L456-P462 HydrophobicContact CD2-CB 3.68Å; P462-A464 VanDerWaalsContact CG-O 3.3Å; P462-A464 WeakPolarHBondContact CG-O 3.44Å; P462-A464 PolarHBondContact O-N 3.46Å; P462-A464 VanDerWaalsContact O-N 3.07Å; P462-I465 HydrophobicContact CG-CD1 4.43Å
463P88.7Confident83.4Confident35 Ų3537.7 Ų37.723%0.22724%0.24CC..SBendtrans-50.7-36.9179.4-28.635.7000113.4Y432 L450 P451 L453Y432-P463 HydrophobicContact CE1-CG 4.44Å; L450-P463 WeakPolarHBondContact CD1-O 3.44Å; P451-P463 HydrophobicContact CG-CB 4.22Å; P451-P463 HydrophobicContact CG-CG 4.5Å; L453-P463 HydrophobicContact CB-CG 4.19Å; L453-P463 HydrophobicContact CD1-CG 3.99Å; L453-P463 HydrophobicContact CG-CG 4.39Å
464A91.8Very high84.4Confident0 Ų034.4 Ų34.40%022%0.222CC..SBendtrans-122.2133.8169.900000110.8Y432 F442 L450 P462 C466Y432-A464 HydrophobicContact CD2-CB 3.99Å; Y432-A464 WeakPolarHBondContact CD2-O 3.3Å; Y432-A464 HydrophobicContact CE2-CB 3.82Å; F442-A464 HydrophobicContact CB-CB 3.44Å; F442-A464 VanDerWaalsContact CB-CB 3.44Å; F442-A464 HydrophobicContact CD1-CB 3.68Å; F442-A464 HydrophobicContact CD2-CB 3.8Å; F442-A464 HydrophobicContact CE1-CB 4.37Å; F442-A464 HydrophobicContact CE2-CB 4.47Å; F442-A464 HydrophobicContact CG-CB 3.35Å; L450-A464 HydrophobicContact CD1-CB 3.78Å; P462-A464 VanDerWaalsContact CG-O 3.3Å; P462-A464 WeakPolarHBondContact CG-O 3.44Å; P462-A464 PolarHBondContact O-N 3.46Å; P462-A464 VanDerWaalsContact O-N 3.07Å; A464-C466 PolarHBondContact O-N 2.9Å
465I93.6Very high86Confident27 Ų2731.2 Ų31.214%0.13820%0.202CC..  trans-73.5115.2166.3-53.6-55.1000109P133 L428 D461 P462 S490 P491 F492P133-I465 HydrophobicContact CG-CG2 3.75Å; L428-I465 HydrophobicContact CD1-CD1 4.19Å; L428-I465 HydrophobicContact CD1-CG2 4.17Å; L428-I465 HydrophobicContact CD2-CG2 4.21Å; D461-I465 HydrophobicContact CB-CD1 3.81Å; D461-I465 WeakPolarHBondContact OD2-CD1 3.45Å; P462-I465 HydrophobicContact CG-CD1 4.43Å; I465-S490 PolarHBondContact N-OG 3.23Å; I465-S490 PolarHBondContact O-OG 2.91Å; I465-P491 HydrophobicContact CB-CB 3.88Å; I465-P491 HydrophobicContact CG2-CB 3.8Å; I465-P491 WeakPolarHBondContact O-CA 3.18Å; I465-F492 PolarHBondContact O-N 3.21Å
466C95.4Very high87.6Confident0 Ų029.3 Ų29.30%018%0.182CC..EExtended strand (participates in β ladder)trans-130.4128.9172.5178.90000108.6L428 H431 F442 A464 F492L428-C466 WeakPolarHBondContact CD2-O 3.46Å; H431-C466 WeakPolarHBondContact CB-O 3.31Å; F442-C466 HydrophobicContact CE1-CB 4.05Å; F442-C466 HydrophobicContact CZ-CB 3.73Å; A464-C466 PolarHBondContact O-N 2.9Å; C466-F492 CarbonylContact C-O 3.36Å; C466-F492 VanDerWaalsContact CA-O 3.3Å; C466-F492 WeakPolarHBondContact CA-O 3.32Å
467E98.3Very high88.9Confident2 Ų229.8 Ų29.81%0.00918%0.183CC..EExtended strand (participates in β ladder)trans-121.2123.7171.3-171.4-175.9168.300110.5P133 S134 L428 F492 I493 L494P133-E467 WeakPolarHBondContact CB-OE2 3.5Å; P133-E467 WeakPolarHBondContact CD-OE2 3.46Å; P133-E467 HydrophobicContact CG-CB 4.34Å; S134-E467 WeakPolarHBondContact CB-OE1 3.25Å; S134-E467 WeakPolarHBondContact CB-OE2 3.21Å; S134-E467 PolarHBondContact N-OE2 3.16Å; S134-E467 VanDerWaalsContact OG-CD 3.24Å; S134-E467 PolarHBondContact OG-OE1 3.45Å; S134-E467 PolarHBondContact OG-OE2 3.01Å; L428-E467 HydrophobicContact CD2-CB 4.04Å; E467-F492 PolarHBondContact N-O 3.4Å; E467-I493 CarbonylContact O-C 3.59Å; E467-I493 VanDerWaalsContact O-CA 3.32Å; E467-I493 WeakPolarHBondContact O-CA 3.27Å; E467-L494 PolarHBondContact O-N 2.76Å
468I98.8Very high90.7Very high1 Ų128.6 Ų28.61%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-107127.5177.2-61.7162.8000108.1H431 W434 V472 L479 L494H431-I468 HydrophobicContact CB-CB 4.47Å; H431-I468 HydrophobicContact CB-CD1 4.02Å; H431-I468 HydrophobicContact CB-CG1 4.18Å; H431-I468 PolarHBondContact CE1-O 3.31Å; H431-I468 PolarHBondContact ND1-N 3.39Å; W434-I468 HydrophobicContact CB-CD1 4.26Å; W434-I468 HydrophobicContact CE3-CD1 4.29Å; I468-V472 HydrophobicContact CG2-CB 4.33Å; I468-L479 HydrophobicContact CD1-CD1 3.76Å; I468-L479 HydrophobicContact CD1-CD2 4.2Å; I468-L479 HydrophobicContact CG2-CD2 4.08Å; I468-L494 WeakPolarHBondContact CA-O 3.33Å; I468-L494 HydrophobicContact CG1-CB 4.25Å; I468-L494 HydrophobicContact CG1-CD2 4.44Å; I468-L494 HydrophobicContact CG2-CD2 4.46Å
469S98.8Very high92.6Very high2 Ų222.6 Ų22.61%0.01414%0.144CC..  trans-66.3138.8173.1170.60000110K136 E144 L471 V472 S473 L494K136-S469 PolarHBondContact NZ-OG 2.74Å; E144-S469 PolarHBondContact OE2-OG 3.36Å; E144-S469 VanDerWaalsContact OE2-OG 3.14Å; S469-L471 PolarHBondContact O-N 2.85Å; S469-L471 PolarHBondContact OG-N 2.72Å; S469-L471 VanDerWaalsContact OG-N 3.09Å; S469-V472 PolarHBondContact O-N 3.43Å; S469-S473 PolarHBondContact O-N 2.92Å; S469-L494 PolarHBondContact N-O 3.15Å
470P98.6Very high94.4Very high6 Ų620.8 Ų20.84%0.03913%0.131CC..THydrogen-bonded Turntrans-52.7-26.5169.3-26.432.4000114.4L141 E144 R145 R148 V472 S473L141-P470 HydrophobicContact CD2-CG 4.3Å; E144-P470 HydrophobicContact CB-CB 3.88Å; E144-P470 HydrophobicContact CB-CG 4.06Å; E144-P470 WeakPolarHBondContact OE2-CD 3.47Å; R145-P470 HydrophobicContact CB-CB 4.49Å; R145-P470 HydrophobicContact CG-CB 3.65Å; R145-P470 HydrophobicContact CG-CG 3.93Å; R148-P470 WeakPolarHBondContact CB-O 3.44Å; R148-P470 WeakPolarHBondContact CD-O 3.47Å; R148-P470 WeakPolarHBondContact CG-O 3.28Å; P470-V472 VanDerWaalsContact C-N 3.28Å; P470-V472 PolarHBondContact O-N 3.47Å; P470-S473 WeakPolarHBondContact CA-O 3.38Å; P470-S473 CarbonylContact O-C 3.56Å
471L98.5Very high95.6Very high12 Ų1223.5 Ų23.56%0.06314%0.142CC..THydrogen-bonded Turntrans-73.6-20.3178.6-66.5172000113.1E144 R147 R148 S469 E496E144-L471 HydrophobicContact CB-CD1 4.39Å; E144-L471 HydrophobicContact CB-CD2 4.34Å; E144-L471 HydrophobicContact CB-CG 3.98Å; E144-L471 HydrophobicContact CG-CD1 3.88Å; E144-L471 HydrophobicContact CG-CG 4.04Å; R147-L471 HydrophobicContact CB-CD2 3.75Å; R148-L471 WeakPolarHBondContact CD-O 3.33Å; S469-L471 PolarHBondContact O-N 2.85Å; S469-L471 PolarHBondContact OG-N 2.72Å; S469-L471 VanDerWaalsContact OG-N 3.09Å; L471-E496 HydrophobicContact CB-CG 3.86Å; L471-E496 HydrophobicContact CD1-CG 4.45Å; L471-E496 WeakPolarHBondContact CD1-OE1 3.43Å
472V98.4Very high96.2Very high7 Ų722.6 Ų22.64%0.04214%0.135CC..THydrogen-bonded Turntrans-86.5-46.7172.2-179.80000110.2R148 I468 S469 P470 L479 Y482 L494 A499R148-V472 PolarHBondContact NH2-O 3.2Å; I468-V472 HydrophobicContact CG2-CB 4.33Å; S469-V472 PolarHBondContact O-N 3.43Å; P470-V472 VanDerWaalsContact C-N 3.28Å; P470-V472 PolarHBondContact O-N 3.47Å; V472-L479 HydrophobicContact CG1-CD2 4.29Å; V472-Y482 HydrophobicContact CG1-CD2 4.08Å; V472-Y482 HydrophobicContact CG1-CE2 3.7Å; V472-L494 HydrophobicContact CG1-CD2 3.84Å; V472-L494 HydrophobicContact CG1-CG 4.01Å; V472-L494 HydrophobicContact CG2-CG 4.47Å; V472-A499 HydrophobicContact CG1-CB 4.48Å; V472-A499 HydrophobicContact CG2-CB 4.12Å
473S98.6Very high96.7Very high2 Ų222.2 Ų22.21%0.01413%0.132CC..  trans-146.8126-179.1-169.30000111.3S469 P470 G476 E477S469-S473 PolarHBondContact O-N 2.92Å; P470-S473 WeakPolarHBondContact CA-O 3.38Å; P470-S473 CarbonylContact O-C 3.56Å; S473-G476 WeakPolarHBondContact OG-CA 3.31Å; S473-G476 PolarHBondContact OG-N 3.21Å; S473-E477 WeakPolarHBondContact CB-O 3.44Å; S473-E477 PolarHBondContact OG-N 3.33Å; S473-E477 PolarHBondContact OG-O 2.94Å
474Y98.2Very high97.1Very high9 Ų927.2 Ų27.24%0.03515%0.153CC..SBendtrans-77.2-40-178.7178.3-106.7000112.2R145 R148 V149 L152 R261 L262 E477R145-Y474 HydrophobicContact CB-CD2 4.35Å; R145-Y474 HydrophobicContact CB-CE2 4.07Å; R145-Y474 HydrophobicContact CG-CD2 4.42Å; R145-Y474 HydrophobicContact CG-CE2 4.37Å; R148-Y474 HydrophobicContact CB-CD2 4.44Å; R148-Y474 HydrophobicContact CG-CD2 4.44Å; R148-Y474 HydrophobicContact CG-CG 4.48Å; V149-Y474 HydrophobicContact CB-CD2 4.47Å; V149-Y474 HydrophobicContact CB-CE2 4.23Å; L152-Y474 HydrophobicContact CD1-CG 4.34Å; R261-Y474 WeakPolarHBondContact CA-OH 3.45Å; R261-Y474 WeakPolarHBondContact CB-OH 3.27Å; L262-Y474 PolarHBondContact N-OH 2.83Å; L262-Y474 VanDerWaalsContact N-OH 3.09Å; L262-Y474 PolarHBondContact O-OH 2.76Å; Y474-E477 WeakPolarHBondContact CB-OE1 3.28Å; Y474-E477 PolarHBondContact N-OE1 3.46Å; Y474-E477 PolarHBondContact N-OE2 2.93Å
475S96.5Very high97.1Very high37 Ų3730.2 Ų30.226%0.25918%0.184SC..SBendtrans-146.919.8-168.4600000113.5W434 E477W434-S475 VanDerWaalsContact CZ2-C 3.43Å; S475-E477 WeakPolarHBondContact CA-OE2 3.5Å; S475-E477 PolarHBondContact N-OE2 3.32Å; S475-E477 PolarHBondContact OG-OE2 3.39Å
476G97.1Very high97.2Very high18 Ų1832.8 Ų32.819%0.18619%0.192CC..SBendtrans96.8-1.3-177.100000114.2S473S473-G476 WeakPolarHBondContact OG-CA 3.31Å; S473-G476 PolarHBondContact OG-N 3.21Å
477E96.8Very high97.2Very high51 Ų5137.8 Ų37.824%0.23822%0.215CC..THydrogen-bonded Turntrans-71.7148.4178.680.3-65.8158.700113.1R148 S473 Y474 S475 L479R148-E477 IonicContact CZ-OE1 3.07Å; R148-E477 IonicContact NE-OE1 2.66Å; R148-E477 IonicContact NH2-OE1 3.47Å; S473-E477 WeakPolarHBondContact CB-O 3.44Å; S473-E477 PolarHBondContact OG-N 3.33Å; S473-E477 PolarHBondContact OG-O 2.94Å; Y474-E477 WeakPolarHBondContact CB-OE1 3.28Å; Y474-E477 PolarHBondContact N-OE1 3.46Å; Y474-E477 PolarHBondContact N-OE2 2.93Å; S475-E477 WeakPolarHBondContact CA-OE2 3.5Å; S475-E477 PolarHBondContact N-OE2 3.32Å; S475-E477 PolarHBondContact OG-OE2 3.39Å; E477-L479 VanDerWaalsContact C-N 3.27Å; E477-L479 PolarHBondContact O-N 2.91Å
478G96.6Very high97Very high39 Ų3938.5 Ų38.540%0.40222%0.218SC..THydrogen-bonded Turntrans72.414.7168.300000115.1V481 Y482G478-V481 WeakPolarHBondContact O-CG1 3.26Å; G478-Y482 VanDerWaalsContact O-CE2 3.31Å; G478-Y482 WeakPolarHBondContact O-CE2 3.32Å
479L98.2Very high96.8Very high0 Ų044.6 Ų44.60%025%0.246CC..  trans-81-23.5-175.5-71.3176.7000113.3W434 A438 I468 V472 E477 V481 Y482 L483 L494W434-L479 HydrophobicContact CB-CD1 3.67Å; A438-L479 HydrophobicContact CB-CB 3.52Å; I468-L479 HydrophobicContact CD1-CD1 3.76Å; I468-L479 HydrophobicContact CD1-CD2 4.2Å; I468-L479 HydrophobicContact CG2-CD2 4.08Å; V472-L479 HydrophobicContact CG1-CD2 4.29Å; E477-L479 VanDerWaalsContact C-N 3.27Å; E477-L479 PolarHBondContact O-N 2.91Å; L479-V481 PolarHBondContact O-N 2.89Å; L479-Y482 PolarHBondContact O-N 3.4Å; L479-L483 HydrophobicContact CB-CD1 4.14Å; L479-L483 HydrophobicContact CD2-CD1 4.46Å; L479-L483 WeakPolarHBondContact O-CB 3.33Å; L479-L483 WeakPolarHBondContact O-CG 3.27Å; L479-L483 PolarHBondContact O-N 3.41Å; L479-L494 HydrophobicContact CD2-CD2 3.75Å
480E97.8Very high96.5Very high93 Ų9346 Ų4644%0.43526%0.256SS..Hα-helixtrans-57.4-37.8-176.3-63.581.9175.400111.5A438 Y482 L483 Q484A438-E480 HydrophobicContact CB-CG 4.39Å; E480-Y482 PolarHBondContact O-N 3.17Å; E480-L483 PolarHBondContact O-N 3.42Å; E480-Q484 HydrophobicContact CB-CB 4.49Å; E480-Q484 WeakPolarHBondContact O-CB 3.37Å; E480-Q484 PolarHBondContact O-N 2.91Å
481V96.9Very high96.2Very high83 Ų8350.3 Ų50.350%0.50328%0.284SS..Hα-helixtrans-62-28.5-179.975.80000112.9G478 L479 L503G478-V481 WeakPolarHBondContact O-CG1 3.26Å; L479-V481 PolarHBondContact O-N 2.89Å; V481-L503 HydrophobicContact CG1-CD2 4.49Å; V481-L503 HydrophobicContact CG2-CD2 3.81Å
482Y96.6Very high96.1Very high42 Ų4250.5 Ų50.517%0.16529%0.285CS..Hα-helixtrans-95.4-32.8-179.2-49.5-68.9000112.4V472 G478 L479 E480 R486 L494 A499 L503V472-Y482 HydrophobicContact CG1-CD2 4.08Å; V472-Y482 HydrophobicContact CG1-CE2 3.7Å; G478-Y482 VanDerWaalsContact O-CE2 3.31Å; G478-Y482 WeakPolarHBondContact O-CE2 3.32Å; L479-Y482 PolarHBondContact O-N 3.4Å; E480-Y482 PolarHBondContact O-N 3.17Å; Y482-R486 WeakPolarHBondContact O-CD 3.27Å; Y482-R486 PolarHBondContact O-NE 3.03Å; Y482-L494 HydrophobicContact CD2-CD2 4.28Å; Y482-L494 HydrophobicContact CG-CD2 4.46Å; Y482-A499 HydrophobicContact CD1-CB 4.06Å; Y482-A499 HydrophobicContact CE1-CB 3.71Å; Y482-L503 HydrophobicContact CD1-CD1 4.47Å; Y482-L503 HydrophobicContact CD1-CD2 4.18Å; Y482-L503 HydrophobicContact CD1-CG 4.09Å; Y482-L503 HydrophobicContact CE1-CD1 3.69Å; Y482-L503 HydrophobicContact CE1-CD2 4.09Å; Y482-L503 HydrophobicContact CE1-CG 3.8Å
483L96.7Very high96.1Very high1 Ų152.8 Ų52.81%0.00530%0.296CS..Hα-helixtrans-113.5-23.4-162.1-60-173.4000114.5A435 A438 G439 A440 L479 E480 G485 R486 F488 F492 L494A435-L483 HydrophobicContact CB-CD1 3.8Å; A438-L483 HydrophobicContact CB-CB 4.14Å; A438-L483 HydrophobicContact CB-CD1 4.11Å; G439-L483 CarbonylContact C-O 3.55Å; A440-L483 HydrophobicContact CB-CB 3.98Å; A440-L483 HydrophobicContact CB-CD1 4.22Å; A440-L483 HydrophobicContact CB-CG 4.49Å; L479-L483 HydrophobicContact CB-CD1 4.14Å; L479-L483 HydrophobicContact CD2-CD1 4.46Å; L479-L483 WeakPolarHBondContact O-CB 3.33Å; L479-L483 WeakPolarHBondContact O-CG 3.27Å; L479-L483 PolarHBondContact O-N 3.41Å; E480-L483 PolarHBondContact O-N 3.42Å; L483-G485 PolarHBondContact O-N 2.79Å; L483-G485 VanDerWaalsContact O-N 3.13Å; L483-R486 PolarHBondContact O-N 3.34Å; L483-F488 HydrophobicContact CB-CE2 4.43Å; L483-F488 HydrophobicContact CD2-CD2 4.41Å; L483-F488 HydrophobicContact CD2-CE1 4.36Å; L483-F488 HydrophobicContact CD2-CE2 3.52Å; L483-F488 HydrophobicContact CD2-CZ 3.48Å; L483-F488 VanDerWaalsContact CD2-CZ 3.48Å; L483-F492 HydrophobicContact CD2-CE1 3.94Å; L483-F492 HydrophobicContact CD2-CZ 4.37Å; L483-L494 HydrophobicContact CD1-CD2 4.48Å; L483-L494 HydrophobicContact CD2-CD2 4.21Å; L483-L494 HydrophobicContact CG-CD2 4.44Å
484Q96.3Very high96.1Very high140 Ų14052.7 Ų52.765%0.65430%0.295SS*.THydrogen-bonded Turntrans-60119-169.7-175.2176.615.500111.8A438 E480 R486A438-Q484 VanDerWaalsContact O-CA 3.31Å; A438-Q484 WeakPolarHBondContact O-CA 3.45Å; A438-Q484 PolarHBondContact O-N 3.24Å; E480-Q484 HydrophobicContact CB-CB 4.49Å; E480-Q484 WeakPolarHBondContact O-CB 3.37Å; E480-Q484 PolarHBondContact O-N 2.91Å; Q484-R486 PolarHBondContact O-N 3.02Å
485G93.1Very high96.1Very high63 Ų6354.6 Ų54.665%0.64931%0.306SS*.THydrogen-bonded Turntrans71.113.9176.900000114.3G439 L483G439-G485 PolarHBondContact O-N 2.83Å; L483-G485 PolarHBondContact O-N 2.79Å; L483-G485 VanDerWaalsContact O-N 3.13Å
486R95Very high96.1Very high81 Ų8155.7 Ų55.731%0.30631%0.307SS..  trans-104.2152.3179.3-56-165.8-165-161.85.5111.8R441 Y482 L483 Q484 F488 L502R441-R486 PolarHBondContact N-O 2.98Å; Y482-R486 WeakPolarHBondContact O-CD 3.27Å; Y482-R486 PolarHBondContact O-NE 3.03Å; L483-R486 PolarHBondContact O-N 3.34Å; Q484-R486 PolarHBondContact O-N 3.02Å; R486-F488 HydrophobicContact CB-CE1 4.5Å; R486-F488 HydrophobicContact CB-CE2 3.61Å; R486-F488 HydrophobicContact CB-CZ 3.59Å; R486-F488 HydrophobicContact CG-CZ 4.48Å; R486-L502 PolarHBondContact NH1-O 3.28Å; R486-L502 PolarHBondContact NH2-O 3.48Å
487E95.4Very high96Very high105 Ų10559.4 Ų59.449%0.49132%0.323SS..EExtended strand (participates in β ladder)trans-110.3135.3179.7-66.7170.4-166.100110.2R441 L443 W449R441-E487 HydrophobicContact CB-CG 4.04Å; R441-E487 CarbonylContact O-C 3.48Å; R441-E487 WeakPolarHBondContact O-CA 3.18Å; L443-E487 HydrophobicContact CD1-CB 4.21Å; L443-E487 HydrophobicContact CG-CB 4.44Å; W449-E487 HydrophobicContact CH2-CG 3.83Å; W449-E487 WeakPolarHBondContact CH2-OE1 3.31Å; W449-E487 HydrophobicContact CZ2-CG 4.28Å; W449-E487 WeakPolarHBondContact CZ2-OE1 3.42Å
488F95.3Very high96Very high17 Ų1759.6 Ų59.68%0.07532%0.324CS..EExtended strand (participates in β ladder)trans-130.9138.2-176.5-57.7-82.5000111.1A440 R441 F442 L443 L483 R486 F492 L502A440-F488 HydrophobicContact CB-CD2 4.2Å; A440-F488 HydrophobicContact CB-CE2 4.16Å; R441-F488 PolarHBondContact O-N 3.36Å; F442-F488 CarbonylContact C-O 3.41Å; F442-F488 WeakPolarHBondContact CA-O 3.22Å; F442-F488 HydrophobicContact CD1-CB 4.02Å; F442-F488 HydrophobicContact CE1-CB 4.04Å; L443-F488 PolarHBondContact N-O 2.69Å; L483-F488 HydrophobicContact CB-CE2 4.43Å; L483-F488 HydrophobicContact CD2-CD2 4.41Å; L483-F488 HydrophobicContact CD2-CE1 4.36Å; L483-F488 HydrophobicContact CD2-CE2 3.52Å; L483-F488 HydrophobicContact CD2-CZ 3.48Å; L483-F488 VanDerWaalsContact CD2-CZ 3.48Å; R486-F488 HydrophobicContact CB-CE1 4.5Å; R486-F488 HydrophobicContact CB-CE2 3.61Å; R486-F488 HydrophobicContact CB-CZ 3.59Å; R486-F488 HydrophobicContact CG-CZ 4.48Å; F488-F492 HydrophobicContact CB-CB 4.28Å; F488-F492 HydrophobicContact CB-CD1 4.36Å; F488-F492 HydrophobicContact CB-CD2 4.2Å; F488-F492 HydrophobicContact CB-CG 4.02Å; F488-F492 HydrophobicContact CD1-CD1 4.29Å; F488-F492 AromaticContact CD1-CD2 3.73Å; F488-F492 HydrophobicContact CD1-CD2 3.73Å; F488-F492 AromaticContact CD1-CE1 3.99Å; F488-F492 HydrophobicContact CD1-CE1 3.99Å; F488-F492 AromaticContact CD1-CE2 3.41Å; F488-F492 HydrophobicContact CD1-CE2 3.41Å; F488-F492 VanDerWaalsContact CD1-CE2 3.41Å; F488-F492 HydrophobicContact CD1-CG 4.17Å; F488-F492 AromaticContact CD1-CZ 3.55Å; F488-F492 HydrophobicContact CD1-CZ 3.55Å; F488-F492 HydrophobicContact CE1-CE1 4.14Å; F488-F492 AromaticContact CE1-CE2 3.75Å; F488-F492 HydrophobicContact CE1-CE2 3.75Å; F488-F492 AromaticContact CE1-CZ 3.53Å; F488-F492 HydrophobicContact CE1-CZ 3.53Å; F488-F492 HydrophobicContact CG-CD1 4.22Å; F488-F492 HydrophobicContact CG-CD2 4.22Å; F488-F492 HydrophobicContact CG-CE1 4.22Å; F488-F492 HydrophobicContact CG-CE2 4.24Å; F488-F492 HydrophobicContact CG-CG 4.22Å; F488-F492 HydrophobicContact CG-CZ 4.24Å; F488-F492 HydrophobicContact CZ-CZ 4.22Å; F488-L502 HydrophobicContact CE1-CD1 4.11Å; F488-L502 HydrophobicContact CE1-CD2 4.09Å; F488-L502 HydrophobicContact CZ-CD1 4.43Å
489Q94.6Very high96Very high128 Ų12858 Ų5860%0.59831%0.307SS*.EExtended strand (participates in β ladder)trans-78139.7170.8-72.5-173.4-15.800110.8L443 P491L443-Q489 HydrophobicContact CB-CG 4.49Å; Q489-P491 CarbonylContact O-C 3.54Å
490S91.6Very high95.9Very high31 Ų3164.8 Ų64.822%0.21733%0.332CS..SBendtrans-87.5135.7173.5-165.40000111.9L443 I465L443-S490 PolarHBondContact O-N 3.07Å; L443-S490 VanDerWaalsContact O-N 3.09Å; I465-S490 PolarHBondContact N-OG 3.23Å; I465-S490 PolarHBondContact O-OG 2.91Å
491P93Very high95.7Very high97 Ų9765.9 Ų65.963%0.6334%0.337SS*.SBendcis-77.2141.5-0.232.1-35.2000113.5I465 Q489I465-P491 HydrophobicContact CB-CB 3.88Å; I465-P491 HydrophobicContact CG2-CB 3.8Å; I465-P491 WeakPolarHBondContact O-CA 3.18Å; Q489-P491 CarbonylContact O-C 3.54Å
492F95.8Very high95.5Very high17 Ų1763.1 Ų63.18%0.07532%0.32CS..EExtended strand (participates in β ladder)trans-115.6136.7175.9176.7-117.1000110.9F442 I465 C466 E467 L483 F488 L494 Q498 L502F442-F492 HydrophobicContact CE1-CB 4.15Å; F442-F492 HydrophobicContact CE1-CD1 4.27Å; I465-F492 PolarHBondContact O-N 3.21Å; C466-F492 CarbonylContact C-O 3.36Å; C466-F492 VanDerWaalsContact CA-O 3.3Å; C466-F492 WeakPolarHBondContact CA-O 3.32Å; E467-F492 PolarHBondContact N-O 3.4Å; L483-F492 HydrophobicContact CD2-CE1 3.94Å; L483-F492 HydrophobicContact CD2-CZ 4.37Å; F488-F492 HydrophobicContact CB-CB 4.28Å; F488-F492 HydrophobicContact CB-CD1 4.36Å; F488-F492 HydrophobicContact CB-CD2 4.2Å; F488-F492 HydrophobicContact CB-CG 4.02Å; F488-F492 HydrophobicContact CD1-CD1 4.29Å; F488-F492 AromaticContact CD1-CD2 3.73Å; F488-F492 HydrophobicContact CD1-CD2 3.73Å; F488-F492 AromaticContact CD1-CE1 3.99Å; F488-F492 HydrophobicContact CD1-CE1 3.99Å; F488-F492 AromaticContact CD1-CE2 3.41Å; F488-F492 HydrophobicContact CD1-CE2 3.41Å; F488-F492 VanDerWaalsContact CD1-CE2 3.41Å; F488-F492 HydrophobicContact CD1-CG 4.17Å; F488-F492 AromaticContact CD1-CZ 3.55Å; F488-F492 HydrophobicContact CD1-CZ 3.55Å; F488-F492 HydrophobicContact CE1-CE1 4.14Å; F488-F492 AromaticContact CE1-CE2 3.75Å; F488-F492 HydrophobicContact CE1-CE2 3.75Å; F488-F492 AromaticContact CE1-CZ 3.53Å; F488-F492 HydrophobicContact CE1-CZ 3.53Å; F488-F492 HydrophobicContact CG-CD1 4.22Å; F488-F492 HydrophobicContact CG-CD2 4.22Å; F488-F492 HydrophobicContact CG-CE1 4.22Å; F488-F492 HydrophobicContact CG-CE2 4.24Å; F488-F492 HydrophobicContact CG-CG 4.22Å; F488-F492 HydrophobicContact CG-CZ 4.24Å; F488-F492 HydrophobicContact CZ-CZ 4.22Å; F492-L494 HydrophobicContact CE1-CB 3.79Å; F492-L494 HydrophobicContact CZ-CB 4.02Å; F492-L494 HydrophobicContact CZ-CD1 4.16Å; F492-Q498 HydrophobicContact CE2-CG 3.9Å; F492-Q498 HydrophobicContact CZ-CG 4.16Å; F492-L502 HydrophobicContact CZ-CD1 4.24Å
493I97.9Very high95.3Very high55 Ų5565.5 Ų65.528%0.28234%0.335SS..EExtended strand (participates in β ladder)trans-121.4122.7174.5-54.9176.8000107.8P133 E467 D495 Q498P133-I493 HydrophobicContact CB-CD1 3.54Å; P133-I493 HydrophobicContact CB-CG1 3.83Å; E467-I493 CarbonylContact O-C 3.59Å; E467-I493 VanDerWaalsContact O-CA 3.32Å; E467-I493 WeakPolarHBondContact O-CA 3.27Å; I493-D495 HydrophobicContact CG2-CB 4.41Å; I493-Q498 WeakPolarHBondContact O-CG 3.46Å
494L98.3Very high94.8Very high0 Ų071.6 Ų71.60%036%0.363CS..EExtended strand (participates in β ladder)trans-104.490.4171.5-176.265.1000109.2E467 I468 S469 V472 L479 Y482 L483 F492 Q498 A499 L502E467-L494 PolarHBondContact O-N 2.76Å; I468-L494 WeakPolarHBondContact CA-O 3.33Å; I468-L494 HydrophobicContact CG1-CB 4.25Å; I468-L494 HydrophobicContact CG1-CD2 4.44Å; I468-L494 HydrophobicContact CG2-CD2 4.46Å; S469-L494 PolarHBondContact N-O 3.15Å; V472-L494 HydrophobicContact CG1-CD2 3.84Å; V472-L494 HydrophobicContact CG1-CG 4.01Å; V472-L494 HydrophobicContact CG2-CG 4.47Å; L479-L494 HydrophobicContact CD2-CD2 3.75Å; Y482-L494 HydrophobicContact CD2-CD2 4.28Å; Y482-L494 HydrophobicContact CG-CD2 4.46Å; L483-L494 HydrophobicContact CD1-CD2 4.48Å; L483-L494 HydrophobicContact CD2-CD2 4.21Å; L483-L494 HydrophobicContact CG-CD2 4.44Å; F492-L494 HydrophobicContact CE1-CB 3.79Å; F492-L494 HydrophobicContact CZ-CB 4.02Å; F492-L494 HydrophobicContact CZ-CD1 4.16Å; L494-Q498 HydrophobicContact CD1-CB 4.41Å; L494-Q498 HydrophobicContact CD1-CG 4.22Å; L494-A499 HydrophobicContact CD1-CB 4.17Å; L494-L502 HydrophobicContact CD1-CD1 3.83Å
495D97.9Very high93.6Very high49 Ų4970.6 Ų70.626%0.26237%0.369SS..  trans-104.9-176169.162.523.7000111.2I493 D497 Q498 A499I493-D495 HydrophobicContact CG2-CB 4.41Å; D495-D497 VanDerWaalsContact C-N 3.28Å; D495-D497 PolarHBondContact O-N 2.65Å; D495-D497 PolarHBondContact OD1-N 3.05Å; D495-D497 VanDerWaalsContact OD1-N 3.15Å; D495-Q498 PolarHBondContact O-N 3.08Å; D495-Q498 PolarHBondContact OD1-N 3.39Å; D495-A499 WeakPolarHBondContact O-CB 3.46Å; D495-A499 PolarHBondContact O-N 2.96Å
496E96.7Very high92.2Very high60 Ų6076 Ų7628%0.2838%0.377SS..Hα-helixtrans-65-30.8-177-52.197.8101.500113.5L471 R500L471-E496 HydrophobicContact CB-CG 3.86Å; L471-E496 HydrophobicContact CD1-CG 4.45Å; L471-E496 WeakPolarHBondContact CD1-OE1 3.43Å; E496-R500 WeakPolarHBondContact O-CG 3.41Å; E496-R500 PolarHBondContact O-N 3.16Å; E496-R500 VanDerWaalsContact O-N 3.1Å
497D96.6Very high90.1Very high96 Ų9681.6 Ų81.651%0.51341%0.407SS..Hα-helixtrans-68.8-51.6175.7-76.8-43.4000109.8D495 A499 R500 E501D495-D497 VanDerWaalsContact C-N 3.28Å; D495-D497 PolarHBondContact O-N 2.65Å; D495-D497 PolarHBondContact OD1-N 3.05Å; D495-D497 VanDerWaalsContact OD1-N 3.15Å; D497-A499 VanDerWaalsContact C-N 3.3Å; D497-A499 PolarHBondContact O-N 3.34Å; D497-R500 IonicContact OD1-NH2 3.57Å; D497-R500 PolarHBondContact OD1-NH2 2.9Å; D497-R500 IonicContact OD1-NE 2.62Å; D497-R500 IonicContact OD1-CZ 2.87Å; D497-R500 VanDerWaalsContact O-N 3.12Å; D497-R500 PolarHBondContact O-N 3.19Å; D497-R500 WeakPolarHBondContact O-CB 3.49Å; D497-E501 PolarHBondContact O-N 3.27Å
498Q96.6Very high87.5Confident54 Ų5485.7 Ų85.725%0.25245%0.447SS..Hα-helixtrans-61.9-38.5177.9-171.662.680.400112.2F492 I493 L494 D495 E501 L502F492-Q498 HydrophobicContact CE2-CG 3.9Å; F492-Q498 HydrophobicContact CZ-CG 4.16Å; I493-Q498 WeakPolarHBondContact O-CG 3.46Å; L494-Q498 HydrophobicContact CD1-CB 4.41Å; L494-Q498 HydrophobicContact CD1-CG 4.22Å; D495-Q498 PolarHBondContact O-N 3.08Å; D495-Q498 PolarHBondContact OD1-N 3.39Å; Q498-E501 PolarHBondContact NE2-OE2 3.09Å; Q498-E501 VanDerWaalsContact NE2-OE2 3.11Å; Q498-E501 PolarHBondContact O-N 3.41Å; Q498-L502 HydrophobicContact CG-CG 4.46Å; Q498-L502 PolarHBondContact O-N 2.84Å; Q498-L502 WeakPolarHBondContact O-CG 3.17Å; Q498-L502 VanDerWaalsContact O-CG 3.29Å; Q498-L502 HydrophobicContact CG-CD1 4.12Å
499A95.4Very high87.1Confident6 Ų689.2 Ų89.25%0.0547%0.466CS..Hα-helixtrans-62.4-41.2175.700000111.7V472 Y482 L494 D495 D497 L503V472-A499 HydrophobicContact CG1-CB 4.48Å; V472-A499 HydrophobicContact CG2-CB 4.12Å; Y482-A499 HydrophobicContact CD1-CB 4.06Å; Y482-A499 HydrophobicContact CE1-CB 3.71Å; L494-A499 HydrophobicContact CD1-CB 4.17Å; D495-A499 WeakPolarHBondContact O-CB 3.46Å; D495-A499 PolarHBondContact O-N 2.96Å; D497-A499 VanDerWaalsContact C-N 3.3Å; D497-A499 PolarHBondContact O-N 3.34Å; A499-L503 WeakPolarHBondContact O-CG 3.34Å; A499-L503 PolarHBondContact O-N 3.33Å
500R95.7Very high86.7Confident143 Ų14387.1 Ų87.154%0.5446%0.459SS..Hα-helixtrans-63-44.9174.6-79.5-173.6-71.9-998.4111.8E496 D497 L503 Q504E496-R500 WeakPolarHBondContact O-CG 3.41Å; E496-R500 PolarHBondContact O-N 3.16Å; E496-R500 VanDerWaalsContact O-N 3.1Å; D497-R500 IonicContact OD1-NH2 3.57Å; D497-R500 PolarHBondContact OD1-NH2 2.9Å; D497-R500 IonicContact OD1-NE 2.62Å; D497-R500 IonicContact OD1-CZ 2.87Å; D497-R500 VanDerWaalsContact O-N 3.12Å; D497-R500 PolarHBondContact O-N 3.19Å; D497-R500 WeakPolarHBondContact O-CB 3.49Å; R500-L503 PolarHBondContact O-N 3.02Å; R500-Q504 PolarHBondContact O-N 3.14Å
501E94.8Very high86.5Confident115 Ų11590.2 Ų90.254%0.53747%0.472SS..Hα-helixtrans-61.7-43.6178.6-70.4177.7177.400112.2D497 Q498 L503 Q504D497-E501 PolarHBondContact O-N 3.27Å; Q498-E501 PolarHBondContact NE2-OE2 3.09Å; Q498-E501 VanDerWaalsContact NE2-OE2 3.11Å; Q498-E501 PolarHBondContact O-N 3.41Å; E501-L503 PolarHBondContact O-N 3.14Å; E501-Q504 WeakPolarHBondContact O-CB 3.5Å; E501-Q504 PolarHBondContact O-N 3.41Å; E501-Q504 VanDerWaalsContact O-N 3.09Å
502L92.9Very high86.1Confident25 Ų2589.8 Ų89.813%0.13146%0.463CS..Hα-helixtrans-66.8-20.5-179.6-71.4171.6000113.7R486 F488 F492 L494 Q498R486-L502 PolarHBondContact NH1-O 3.28Å; R486-L502 PolarHBondContact NH2-O 3.48Å; F488-L502 HydrophobicContact CE1-CD1 4.11Å; F488-L502 HydrophobicContact CE1-CD2 4.09Å; F488-L502 HydrophobicContact CZ-CD1 4.43Å; F492-L502 HydrophobicContact CZ-CD1 4.24Å; L494-L502 HydrophobicContact CD1-CD1 3.83Å; Q498-L502 HydrophobicContact CG-CG 4.46Å; Q498-L502 PolarHBondContact O-N 2.84Å; Q498-L502 WeakPolarHBondContact O-CG 3.17Å; Q498-L502 VanDerWaalsContact O-CG 3.29Å; Q498-L502 HydrophobicContact CG-CD1 4.12Å
503L91.8Very high85.5Confident92 Ų9294.4 Ų94.448%0.48249%0.487SS..Hα-helixtrans-90.3-10.4175.3-67.9179.3000113.4V481 Y482 A499 R500 E501V481-L503 HydrophobicContact CG1-CD2 4.49Å; V481-L503 HydrophobicContact CG2-CD2 3.81Å; Y482-L503 HydrophobicContact CD1-CD1 4.47Å; Y482-L503 HydrophobicContact CD1-CD2 4.18Å; Y482-L503 HydrophobicContact CD1-CG 4.09Å; Y482-L503 HydrophobicContact CE1-CD1 3.69Å; Y482-L503 HydrophobicContact CE1-CD2 4.09Å; Y482-L503 HydrophobicContact CE1-CG 3.8Å; A499-L503 WeakPolarHBondContact O-CG 3.34Å; A499-L503 PolarHBondContact O-N 3.33Å; R500-L503 PolarHBondContact O-N 3.02Å; E501-L503 PolarHBondContact O-N 3.14Å
504Q86.3Confident84.7Confident130 Ų13097 Ų9761%0.60750%0.501SS*.SBendtrans-67.9140.8174.1-69.2179.79.500109.8R500 E501 Q506R500-Q504 PolarHBondContact O-N 3.14Å; E501-Q504 WeakPolarHBondContact O-CB 3.5Å; E501-Q504 PolarHBondContact O-N 3.41Å; E501-Q504 VanDerWaalsContact O-N 3.09Å; Q504-Q506 PolarHBondContact O-N 2.61Å
505P70.6Confident83.7Confident119 Ų119103.9 Ų103.977%0.77354%0.537SS*.  trans-58.9128.5171.5-5.916.2000108.4E507P505-E507 PolarHBondContact O-N 2.68Å
506Q63.2Low82.6Confident176 Ų176108.2 Ų108.282%0.82256%0.558SS**  trans-63.2111.4169.1-70.9-168.4-25.700107.4Q504 S508Q504-Q506 PolarHBondContact O-N 2.61Å; Q506-S508 PolarHBondContact O-N 3.36Å; Q506-S508 VanDerWaalsContact O-N 3.1Å
507E51.1Low81.4Confident199 Ų199112.2 Ų112.293%0.9358%0.581SS**  trans-59.8114.8167.1-72.7-171.2160.600107P505P505-E507 PolarHBondContact O-N 2.68Å
508S41.9Very low80Confident191 Ų191113.6 Ų113.6100%1.33659%0.587SS**  trans-84.80-176.539.40000113.4Q506Q506-S508 PolarHBondContact O-N 3.36Å; Q506-S508 VanDerWaalsContact O-N 3.1Å

Retrieved 508 of 508 residues in 195.3 ms (Link to these results)

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