A0A087YLL7_POEFO Loading...

UDP-N-acetylglucosamine pyrophosphorylase 1, like 1

AlphaFold DB , UniProt , Accession A0A087YLL7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 504 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
1M70.2Confident88.6Confident171 Ų17175.2 Ų75.284%0.84239%0.389SS*.  01430-66.8-167.6-159.200108.5R36M1-R36 HydrophobicContact CE-CG 3.72Å; M1-R36 HydrophobicContact SD-CG 3.7Å
2P77.9Confident88.9Confident41 Ų4176.2 Ų76.227%0.26640%0.395SS..  trans-60.1146173.926.4-33.4000110.7Q6 I7 A39P2-Q6 VanDerWaalsContact CA-OE1 3.25Å; P2-Q6 HydrophobicContact CB-CB 4.2Å; P2-I7 HydrophobicContact CB-CD1 4.42Å; P2-I7 HydrophobicContact CB-CG1 4.21Å; P2-I7 HydrophobicContact CG-CD1 3.86Å; P2-I7 HydrophobicContact CG-CG1 4.02Å; P2-A39 HydrophobicContact CG-CB 3.69Å
3S89Confident88.9Confident55 Ų5574.6 Ų74.639%0.38541%0.409SS..  trans-72.1158.1174.574.60000110.8Q5 Q6 I7S3-Q5 PolarHBondContact O-N 3.35Å; S3-Q5 VanDerWaalsContact O-N 3.15Å; S3-Q6 WeakPolarHBondContact O-CB 3.28Å; S3-Q6 PolarHBondContact O-N 3.06Å; S3-Q6 WeakPolarHBondContact OG-CG 3.45Å; S3-Q6 PolarHBondContact OG-N 3.25Å; S3-I7 PolarHBondContact O-N 3.16Å
4L91.5Very high89Confident50 Ų5070.4 Ų70.426%0.26239%0.388SS..Hα-helixtrans-52.3-36.8172.717763.5000112I7 R8 L20 W23 L35L4-I7 PolarHBondContact O-N 3.08Å; L4-R8 VanDerWaalsContact O-CB 3.27Å; L4-R8 WeakPolarHBondContact O-CB 3.46Å; L4-R8 PolarHBondContact O-N 3.39Å; L4-L20 HydrophobicContact CD1-CD1 4.24Å; L4-L20 HydrophobicContact CD1-CD2 4.47Å; L4-W23 HydrophobicContact CD1-CD2 4.03Å; L4-W23 HydrophobicContact CD1-CE3 4.17Å; L4-W23 HydrophobicContact CD1-CH2 3.92Å; L4-W23 HydrophobicContact CD1-CZ2 3.77Å; L4-W23 HydrophobicContact CD1-CZ3 4.12Å; L4-W23 HydrophobicContact CD2-CD2 4.48Å; L4-W23 HydrophobicContact CD2-CZ2 3.74Å; L4-W23 HydrophobicContact CG-CZ2 4.27Å; L4-L35 HydrophobicContact CB-CD1 4.24Å; L4-L35 HydrophobicContact CD1-CD1 4.18Å
5Q92.3Very high89.2Confident153 Ų15368.1 Ų68.172%0.71539%0.386SS*.Hα-helixtrans-67.3-38.1178.7-169.8174.45.600112.1S3 T9S3-Q5 PolarHBondContact O-N 3.35Å; S3-Q5 VanDerWaalsContact O-N 3.15Å; Q5-T9 WeakPolarHBondContact O-CB 3.21Å; Q5-T9 PolarHBondContact O-N 2.88Å; Q5-T9 PolarHBondContact O-OG1 3.07Å
6Q90.1Very high89.6Confident117 Ų11764.1 Ų64.155%0.54736%0.363SS..Hα-helixtrans-66.2-46.1174.9-71.2172.5-46.500111.1P2 S3 T9 A10P2-Q6 VanDerWaalsContact CA-OE1 3.25Å; P2-Q6 HydrophobicContact CB-CB 4.2Å; S3-Q6 WeakPolarHBondContact O-CB 3.28Å; S3-Q6 PolarHBondContact O-N 3.06Å; S3-Q6 WeakPolarHBondContact OG-CG 3.45Å; S3-Q6 PolarHBondContact OG-N 3.25Å; Q6-T9 PolarHBondContact O-N 2.94Å; Q6-A10 PolarHBondContact O-N 3.33Å
7I91.9Very high89.9Confident0 Ų063.1 Ų63.10%037%0.365CS..Hα-helixtrans-61.4-46.3176.6-77.3167.7000111P2 S3 L4 T9 A10 L11 L35 L38 L43P2-I7 HydrophobicContact CB-CD1 4.42Å; P2-I7 HydrophobicContact CB-CG1 4.21Å; P2-I7 HydrophobicContact CG-CD1 3.86Å; P2-I7 HydrophobicContact CG-CG1 4.02Å; S3-I7 PolarHBondContact O-N 3.16Å; L4-I7 PolarHBondContact O-N 3.08Å; I7-T9 VanDerWaalsContact C-N 3.34Å; I7-T9 PolarHBondContact O-N 3.16Å; I7-A10 PolarHBondContact O-N 3.08Å; I7-L11 HydrophobicContact CG2-CD1 3.69Å; I7-L11 HydrophobicContact CG2-CG 4.23Å; I7-L11 WeakPolarHBondContact O-CB 3.15Å; I7-L11 WeakPolarHBondContact O-CG 3.3Å; I7-L11 PolarHBondContact O-N 2.87Å; I7-L35 HydrophobicContact CD1-CD1 3.41Å; I7-L35 VanDerWaalsContact CD1-CD1 3.41Å; I7-L35 HydrophobicContact CD1-CG 3.95Å; I7-L38 HydrophobicContact CD1-CB 3.88Å; I7-L38 HydrophobicContact CG2-CB 4.17Å; I7-L38 HydrophobicContact CG2-CD1 3.91Å; I7-L43 HydrophobicContact CG1-CD1 4.18Å
8R94.5Very high90.2Very high116 Ų11662.5 Ų62.544%0.43836%0.358SS..Hα-helixtrans-58-47.4177.2-179.3172.6-70.9178.6-2.7111.3L4 A10 L11 D12 L20L4-R8 VanDerWaalsContact O-CB 3.27Å; L4-R8 WeakPolarHBondContact O-CB 3.46Å; L4-R8 PolarHBondContact O-N 3.39Å; R8-A10 VanDerWaalsContact C-N 3.31Å; R8-A10 PolarHBondContact O-N 3.28Å; R8-L11 PolarHBondContact O-N 2.93Å; R8-D12 WeakPolarHBondContact CG-OD2 3.14Å; R8-D12 WeakPolarHBondContact O-CB 3.32Å; R8-D12 PolarHBondContact O-N 3.1Å; R8-L20 HydrophobicContact CB-CD1 4Å; R8-L20 HydrophobicContact CG-CD1 4.32Å
9T92.8Very high90.6Very high92 Ų9259.2 Ų59.256%0.56434%0.34SS*.Hα-helixtrans-59.6-41.9178.4-54.70000111.7Q5 Q6 I7 G13Q5-T9 WeakPolarHBondContact O-CB 3.21Å; Q5-T9 PolarHBondContact O-N 2.88Å; Q5-T9 PolarHBondContact O-OG1 3.07Å; Q6-T9 PolarHBondContact O-N 2.94Å; I7-T9 VanDerWaalsContact C-N 3.34Å; I7-T9 PolarHBondContact O-N 3.16Å; T9-G13 PolarHBondContact O-N 3.38Å
10A90.7Very high90.8Very high31 Ų3156.9 Ų56.926%0.25633%0.326SS..Hα-helixtrans-68.4-42.7178.500000112.8Q6 I7 R8 G13 S14 L43Q6-A10 PolarHBondContact O-N 3.33Å; I7-A10 PolarHBondContact O-N 3.08Å; R8-A10 VanDerWaalsContact C-N 3.31Å; R8-A10 PolarHBondContact O-N 3.28Å; A10-G13 PolarHBondContact O-N 2.92Å; A10-S14 WeakPolarHBondContact O-CB 3.36Å; A10-S14 PolarHBondContact O-N 2.9Å; A10-S14 PolarHBondContact O-OG 3.13Å; A10-L43 HydrophobicContact CB-CB 4.13Å; A10-L43 HydrophobicContact CB-CD1 4.02Å; A10-L43 HydrophobicContact CB-CG 4.47Å
11L93.8Very high91.1Very high1 Ų158.7 Ų58.71%0.00533%0.328CS..Hα-helixtrans-64.5-43175.9-71172.6000111.3I7 R8 S14 G15 Q16 V19 L20 L43 L46I7-L11 HydrophobicContact CG2-CD1 3.69Å; I7-L11 HydrophobicContact CG2-CG 4.23Å; I7-L11 WeakPolarHBondContact O-CB 3.15Å; I7-L11 WeakPolarHBondContact O-CG 3.3Å; I7-L11 PolarHBondContact O-N 2.87Å; R8-L11 PolarHBondContact O-N 2.93Å; L11-S14 CarbonylContact O-C 3.51Å; L11-S14 PolarHBondContact O-N 2.99Å; L11-G15 PolarHBondContact O-N 3.37Å; L11-G15 VanDerWaalsContact O-N 3.12Å; L11-Q16 HydrophobicContact CB-CB 4.45Å; L11-Q16 HydrophobicContact CD2-CB 3.84Å; L11-Q16 WeakPolarHBondContact O-CA 3.27Å; L11-Q16 PolarHBondContact O-N 2.6Å; L11-V19 HydrophobicContact CD1-CB 4.18Å; L11-V19 HydrophobicContact CD1-CG1 4.19Å; L11-V19 HydrophobicContact CD2-CB 4.36Å; L11-V19 HydrophobicContact CD2-CG2 4.44Å; L11-L20 HydrophobicContact CD1-CD1 3.88Å; L11-L20 HydrophobicContact CD1-CD2 4.32Å; L11-L20 HydrophobicContact CD1-CG 3.73Å; L11-L43 HydrophobicContact CD2-CD2 4.38Å; L11-L46 HydrophobicContact CD2-CD2 3.89Å
12D92.5Very high92.4Very high87 Ų8750.9 Ų50.947%0.46529%0.289SS..Hα-helixtrans-61-46.8175.7-69.1-19.1000110.6R8 S14 G15 A17R8-D12 WeakPolarHBondContact CG-OD2 3.14Å; R8-D12 WeakPolarHBondContact O-CB 3.32Å; R8-D12 PolarHBondContact O-N 3.1Å; D12-S14 PolarHBondContact O-N 2.87Å; D12-G15 PolarHBondContact O-N 2.97Å; D12-G15 VanDerWaalsContact O-N 3.11Å; D12-A17 WeakPolarHBondContact OD1-CB 3.46Å
13G88.9Confident93.3Very high56 Ų5650.2 Ų50.258%0.57728%0.281SS*.Hα-helixtrans-60.6-31.3176.200000113.8T9 A10T9-G13 PolarHBondContact O-N 3.38Å; A10-G13 PolarHBondContact O-N 2.92Å
14S89.5Confident93.6Very high16 Ų1652.9 Ų52.911%0.11230%0.297CS..THydrogen-bonded Turntrans-913.1178.6-51.20000113.6A10 L11 D12 Q16A10-S14 WeakPolarHBondContact O-CB 3.36Å; A10-S14 PolarHBondContact O-N 2.9Å; A10-S14 PolarHBondContact O-OG 3.13Å; L11-S14 CarbonylContact O-C 3.51Å; L11-S14 PolarHBondContact O-N 2.99Å; D12-S14 PolarHBondContact O-N 2.87Å; S14-Q16 VanDerWaalsContact C-N 3.3Å; S14-Q16 WeakPolarHBondContact O-CG 3.1Å; S14-Q16 PolarHBondContact O-N 2.9Å; S14-Q16 PolarHBondContact O-NE2 3.35Å
15G91.9Very high93.8Very high35 Ų3555.8 Ų55.836%0.36131%0.309SS..THydrogen-bonded Turntrans69.521.7-175.900000114.8L11 D12 K211L11-G15 PolarHBondContact O-N 3.37Å; L11-G15 VanDerWaalsContact O-N 3.12Å; D12-G15 PolarHBondContact O-N 2.97Å; D12-G15 VanDerWaalsContact O-N 3.11Å; G15-K211 PolarHBondContact O-NZ 2.82Å
16Q95.9Very high94Very high4 Ų449.1 Ų49.12%0.01928%0.278CS..  trans-111.624.1-175.3-54.3-58.4-38.300113.2L11 S14 H18 V19 L46 C50 G210 V212L11-Q16 HydrophobicContact CB-CB 4.45Å; L11-Q16 HydrophobicContact CD2-CB 3.84Å; L11-Q16 WeakPolarHBondContact O-CA 3.27Å; L11-Q16 PolarHBondContact O-N 2.6Å; S14-Q16 VanDerWaalsContact C-N 3.3Å; S14-Q16 WeakPolarHBondContact O-CG 3.1Å; S14-Q16 PolarHBondContact O-N 2.9Å; S14-Q16 PolarHBondContact O-NE2 3.35Å; Q16-H18 PolarHBondContact O-N 2.73Å; Q16-H18 PolarHBondContact OE1-CE1 2.75Å; Q16-V19 HydrophobicContact CB-CG2 4.2Å; Q16-V19 WeakPolarHBondContact O-CB 3.42Å; Q16-V19 WeakPolarHBondContact O-CG2 3.47Å; Q16-V19 PolarHBondContact O-N 3.35Å; Q16-V19 VanDerWaalsContact O-N 3.07Å; Q16-L46 HydrophobicContact CB-CD2 4.43Å; Q16-L46 HydrophobicContact CG-CD2 4.04Å; Q16-L46 HydrophobicContact CG-CG 4.3Å; Q16-C50 PolarHBondContact NE2-SG 3.44Å; Q16-C50 VanDerWaalsContact NE2-SG 3.38Å; Q16-G210 PolarHBondContact NE2-O 3.33Å; Q16-V212 HydrophobicContact CG-CG2 4.28Å
17A95.1Very high94.3Very high48 Ų4847.4 Ų47.440%0.39727%0.273SS..G310 helixtrans-53.2-30.2-179.400000113.9D12 V19 L20D12-A17 WeakPolarHBondContact OD1-CB 3.46Å; A17-V19 PolarHBondContact O-N 2.85Å; A17-L20 PolarHBondContact O-N 3.33Å
18H95.7Very high94.5Very high52 Ų5252.2 Ų52.224%0.24131%0.307CS..G310 helixtrans-64.6-18.4-179.171.2-76.9000113.6Q16 L20 R21 V212Q16-H18 PolarHBondContact O-N 2.73Å; Q16-H18 PolarHBondContact OE1-CE1 2.75Å; H18-L20 PolarHBondContact O-N 2.92Å; H18-R21 VanDerWaalsContact O-CB 3.25Å; H18-R21 WeakPolarHBondContact O-CB 3.4Å; H18-R21 WeakPolarHBondContact O-CD 3.32Å; H18-R21 WeakPolarHBondContact O-CG 3.14Å; H18-R21 PolarHBondContact O-N 3.34Å; H18-V212 PolarHBondContact NE2-O 3.1Å
19V96.3Very high94.5Very high0 Ų053.7 Ų53.70%032%0.319CS..G310 helixtrans-57.9-29.9174.7171.50000111.2L11 Q16 A17 F34 L38 V212 L214 I220L11-V19 HydrophobicContact CD1-CB 4.18Å; L11-V19 HydrophobicContact CD1-CG1 4.19Å; L11-V19 HydrophobicContact CD2-CB 4.36Å; L11-V19 HydrophobicContact CD2-CG2 4.44Å; Q16-V19 HydrophobicContact CB-CG2 4.2Å; Q16-V19 WeakPolarHBondContact O-CB 3.42Å; Q16-V19 WeakPolarHBondContact O-CG2 3.47Å; Q16-V19 PolarHBondContact O-N 3.35Å; Q16-V19 VanDerWaalsContact O-N 3.07Å; A17-V19 PolarHBondContact O-N 2.85Å; V19-F34 HydrophobicContact CG1-CZ 3.75Å; V19-L38 HydrophobicContact CG1-CD2 3.73Å; V19-V212 HydrophobicContact CG2-CB 3.78Å; V19-V212 HydrophobicContact CG2-CG1 3.92Å; V19-L214 HydrophobicContact CG1-CD2 4.22Å; V19-I220 HydrophobicContact CG1-CD1 4.11Å; V19-I220 HydrophobicContact CG1-CG1 4.33Å
20L96.4Very high94.6Very high13 Ų1353.8 Ų53.87%0.06831%0.312CS..G310 helixtrans-95.310.9177.9-63.6178.5000114L4 R8 L11 A17 H18 F22 W23 F34 L38L4-L20 HydrophobicContact CD1-CD1 4.24Å; L4-L20 HydrophobicContact CD1-CD2 4.47Å; R8-L20 HydrophobicContact CB-CD1 4Å; R8-L20 HydrophobicContact CG-CD1 4.32Å; L11-L20 HydrophobicContact CD1-CD1 3.88Å; L11-L20 HydrophobicContact CD1-CD2 4.32Å; L11-L20 HydrophobicContact CD1-CG 3.73Å; A17-L20 PolarHBondContact O-N 3.33Å; H18-L20 PolarHBondContact O-N 2.92Å; L20-F22 PolarHBondContact O-N 3.07Å; L20-W23 HydrophobicContact CB-CB 4.37Å; L20-W23 HydrophobicContact CD2-CD2 4.44Å; L20-W23 HydrophobicContact CD2-CE3 3.78Å; L20-W23 HydrophobicContact CD2-CZ3 4.42Å; L20-W23 WeakPolarHBondContact O-CB 3.2Å; L20-W23 PolarHBondContact O-N 3.49Å; L20-F34 HydrophobicContact CD2-CE1 4.08Å; L20-L38 HydrophobicContact CD2-CD1 3.79Å
21R95.9Very high94.8Very high95 Ų9554.7 Ų54.736%0.35831%0.311SS..THydrogen-bonded Turntrans-57.7-34.5-173.269.2-171.8159.9165.12.7114.1H18 L214 V365H18-R21 VanDerWaalsContact O-CB 3.25Å; H18-R21 WeakPolarHBondContact O-CB 3.4Å; H18-R21 WeakPolarHBondContact O-CD 3.32Å; H18-R21 WeakPolarHBondContact O-CG 3.14Å; H18-R21 PolarHBondContact O-N 3.34Å; R21-L214 HydrophobicContact CG-CD1 4.44Å; R21-V365 PolarHBondContact NH2-O 2.59Å
22F97.1Very high94.8Very high7 Ų759.6 Ų59.63%0.03133%0.334CS..THydrogen-bonded Turntrans-97.13.5-179.8-60.5-63.1000113.5L20 P24 E25 L26 L214 K217 V365 D366L20-F22 PolarHBondContact O-N 3.07Å; F22-P24 VanDerWaalsContact C-N 3.29Å; F22-P24 VanDerWaalsContact O-N 3.17Å; F22-E25 WeakPolarHBondContact CD1-OE1 3.29Å; F22-E25 WeakPolarHBondContact O-CA 3.37Å; F22-E25 WeakPolarHBondContact O-CB 3.46Å; F22-E25 PolarHBondContact O-N 3.33Å; F22-L26 PolarHBondContact O-N 2.84Å; F22-L214 HydrophobicContact CD2-CD1 4.29Å; F22-K217 HydrophobicContact CB-CB 3.71Å; F22-K217 HydrophobicContact CB-CD 4.32Å; F22-K217 HydrophobicContact CB-CG 4.02Å; F22-K217 WeakPolarHBondContact CB-O 3.44Å; F22-K217 HydrophobicContact CD1-CD 4.3Å; F22-K217 HydrophobicContact CD1-CG 4.24Å; F22-K217 HydrophobicContact CD2-CB 4.07Å; F22-K217 HydrophobicContact CD2-CG 3.91Å; F22-K217 HydrophobicContact CE2-CG 4.42Å; F22-K217 HydrophobicContact CG-CB 3.98Å; F22-K217 HydrophobicContact CG-CD 4.24Å; F22-K217 HydrophobicContact CG-CG 3.8Å; F22-V365 HydrophobicContact CD2-CG1 4.38Å; F22-V365 HydrophobicContact CE2-CG1 3.88Å; F22-V365 HydrophobicContact CE2-CG2 4.06Å; F22-V365 HydrophobicContact CZ-CG2 4.39Å; F22-D366 VanDerWaalsContact CZ-O 3.22Å; F22-D366 WeakPolarHBondContact CZ-O 3.34Å
23W96.6Very high94.8Very high27 Ų2759.3 Ų59.310%0.10234%0.335CS..G310 helixtrans-49.4-41.9179.5-176.2-83.2000114L4 L20 E25 L26 Q31 F34 L35L4-W23 HydrophobicContact CD1-CD2 4.03Å; L4-W23 HydrophobicContact CD1-CE3 4.17Å; L4-W23 HydrophobicContact CD1-CH2 3.92Å; L4-W23 HydrophobicContact CD1-CZ2 3.77Å; L4-W23 HydrophobicContact CD1-CZ3 4.12Å; L4-W23 HydrophobicContact CD2-CD2 4.48Å; L4-W23 HydrophobicContact CD2-CZ2 3.74Å; L4-W23 HydrophobicContact CG-CZ2 4.27Å; L20-W23 HydrophobicContact CB-CB 4.37Å; L20-W23 HydrophobicContact CD2-CD2 4.44Å; L20-W23 HydrophobicContact CD2-CE3 3.78Å; L20-W23 HydrophobicContact CD2-CZ3 4.42Å; L20-W23 WeakPolarHBondContact O-CB 3.2Å; L20-W23 PolarHBondContact O-N 3.49Å; W23-E25 PolarHBondContact O-N 3.34Å; W23-L26 HydrophobicContact CE3-CD1 4.37Å; W23-L26 PolarHBondContact O-N 2.91Å; W23-Q31 HydrophobicContact CD2-CG 4.14Å; W23-Q31 HydrophobicContact CE3-CG 4.41Å; W23-Q31 HydrophobicContact CH2-CB 3.62Å; W23-Q31 HydrophobicContact CH2-CG 3.94Å; W23-Q31 VanDerWaalsContact CH2-O 3.32Å; W23-Q31 WeakPolarHBondContact CH2-O 3.43Å; W23-Q31 HydrophobicContact CZ2-CB 3.62Å; W23-Q31 HydrophobicContact CZ2-CG 3.62Å; W23-Q31 HydrophobicContact CZ3-CB 4.25Å; W23-Q31 HydrophobicContact CZ3-CG 4.33Å; W23-Q31 PolarHBondContact O-NE2 2.87Å; W23-Q31 VanDerWaalsContact O-NE2 3.08Å; W23-F34 AromaticContact CE3-CD1 3.95Å; W23-F34 HydrophobicContact CE3-CD1 3.95Å; W23-F34 HydrophobicContact CZ3-CB 4.47Å; W23-F34 AromaticContact CZ3-CD1 4Å; W23-F34 HydrophobicContact CZ3-CD1 4Å; W23-L35 HydrophobicContact CH2-CB 4.22Å; W23-L35 HydrophobicContact CH2-CD1 4.06Å; W23-L35 HydrophobicContact CZ3-CD1 4.47Å
24P96.5Very high95.1Very high110 Ų11056.6 Ų56.671%0.71431%0.308SS*.G310 helixtrans-66.5-18.5178-20.534.5000114.7F22F22-P24 VanDerWaalsContact C-N 3.29Å; F22-P24 VanDerWaalsContact O-N 3.17Å
25E96.1Very high95.3Very high112 Ų11257.5 Ų57.552%0.52331%0.311SS..G310 helixtrans-91.9-12.7179.4-59.8179.2-14700112.7F22 W23 K217F22-E25 WeakPolarHBondContact CD1-OE1 3.29Å; F22-E25 WeakPolarHBondContact O-CA 3.37Å; F22-E25 WeakPolarHBondContact O-CB 3.46Å; F22-E25 PolarHBondContact O-N 3.33Å; W23-E25 PolarHBondContact O-N 3.34Å; E25-K217 WeakPolarHBondContact OE2-CE 3.05Å; E25-K217 IonicContact OE2-NZ 2.68Å; E25-K217 PolarHBondContact OE2-NZ 2.79Å
26L96.5Very high95.2Very high13 Ų1361 Ų617%0.06831%0.313CS..SBendtrans-79137.7178.3-59.1-177.3000110.5F22 W23 Q30 Q31 F34 K217F22-L26 PolarHBondContact O-N 2.84Å; W23-L26 HydrophobicContact CE3-CD1 4.37Å; W23-L26 PolarHBondContact O-N 2.91Å; L26-Q30 HydrophobicContact CB-CB 3.94Å; L26-Q30 HydrophobicContact CD2-CB 4.23Å; L26-Q30 HydrophobicContact CG-CB 4.48Å; L26-Q31 HydrophobicContact CB-CG 3.64Å; L26-Q31 HydrophobicContact CD1-CG 4.44Å; L26-Q31 PolarHBondContact O-NE2 2.88Å; L26-Q31 VanDerWaalsContact O-NE2 3.11Å; L26-F34 HydrophobicContact CD1-CB 4.44Å; L26-F34 HydrophobicContact CD1-CD1 3.87Å; L26-K217 HydrophobicContact CD2-CB 3.87Å
27D96.4Very high95Very high80 Ų8062.5 Ų62.543%0.42832%0.32SS..  trans-71.3172.4168.168.248.7000111.8E29 Q30 Q31D27-E29 VanDerWaalsContact C-N 3.29Å; D27-E29 PolarHBondContact O-N 3.22Å; D27-E29 WeakPolarHBondContact OD1-CA 3.34Å; D27-E29 WeakPolarHBondContact OD1-CB 3.48Å; D27-E29 PolarHBondContact OD1-N 3.5Å; D27-Q30 PolarHBondContact O-N 3.45Å; D27-Q30 WeakPolarHBondContact OD1-CG 3.37Å; D27-Q30 PolarHBondContact OD1-N 3.49Å; D27-Q30 VanDerWaalsContact OD2-CD 3.28Å; D27-Q30 PolarHBondContact OD2-OE1 2.99Å; D27-Q31 WeakPolarHBondContact O-CB 3.3Å; D27-Q31 VanDerWaalsContact O-CG 3.25Å; D27-Q31 WeakPolarHBondContact O-CG 3.23Å; D27-Q31 PolarHBondContact O-N 2.85Å
28S94.8Very high94.8Very high102 Ų10260.2 Ų60.271%0.71330%0.301SS*.Hα-helixtrans-62.2-32.7-176-580000113.9E32S28-E32 PolarHBondContact O-N 3.25Å; S28-E32 VanDerWaalsContact O-N 3.14Å
29E94.9Very high94.4Very high147 Ų14759.4 Ų59.469%0.68730%0.304SS*.Hα-helixtrans-73.5-45.9178.8-176.7177.8-177.300110.2D27 Q31 E32 V33D27-E29 VanDerWaalsContact C-N 3.29Å; D27-E29 PolarHBondContact O-N 3.22Å; D27-E29 WeakPolarHBondContact OD1-CA 3.34Å; D27-E29 WeakPolarHBondContact OD1-CB 3.48Å; D27-E29 PolarHBondContact OD1-N 3.5Å; E29-Q31 VanDerWaalsContact C-N 3.33Å; E29-Q31 PolarHBondContact O-N 2.85Å; E29-E32 PolarHBondContact O-N 3.4Å; E29-V33 WeakPolarHBondContact O-CG2 3.46Å; E29-V33 PolarHBondContact O-N 3.4Å
30Q94.4Very high93.9Very high93 Ų9366.4 Ų66.444%0.43534%0.337SS..Hα-helixtrans-59.9-42.4175.2-69.6174.4-21.400112L26 D27 E32 V33 F34L26-Q30 HydrophobicContact CB-CB 3.94Å; L26-Q30 HydrophobicContact CD2-CB 4.23Å; L26-Q30 HydrophobicContact CG-CB 4.48Å; D27-Q30 PolarHBondContact O-N 3.45Å; D27-Q30 WeakPolarHBondContact OD1-CG 3.37Å; D27-Q30 PolarHBondContact OD1-N 3.49Å; D27-Q30 VanDerWaalsContact OD2-CD 3.28Å; D27-Q30 PolarHBondContact OD2-OE1 2.99Å; Q30-E32 VanDerWaalsContact C-N 3.34Å; Q30-V33 PolarHBondContact O-N 3.48Å; Q30-F34 VanDerWaalsContact O-CB 3.31Å; Q30-F34 WeakPolarHBondContact O-CB 3.38Å; Q30-F34 PolarHBondContact O-N 3.18Å
31Q95.1Very high93.4Very high50 Ų5066.7 Ų66.723%0.23434%0.338CS..Hα-helixtrans-60.9-43.4175-76.4178.81.600111.7W23 L26 D27 E29 F34 L35W23-Q31 HydrophobicContact CD2-CG 4.14Å; W23-Q31 HydrophobicContact CE3-CG 4.41Å; W23-Q31 HydrophobicContact CH2-CB 3.62Å; W23-Q31 HydrophobicContact CH2-CG 3.94Å; W23-Q31 VanDerWaalsContact CH2-O 3.32Å; W23-Q31 WeakPolarHBondContact CH2-O 3.43Å; W23-Q31 HydrophobicContact CZ2-CB 3.62Å; W23-Q31 HydrophobicContact CZ2-CG 3.62Å; W23-Q31 HydrophobicContact CZ3-CB 4.25Å; W23-Q31 HydrophobicContact CZ3-CG 4.33Å; W23-Q31 PolarHBondContact O-NE2 2.87Å; W23-Q31 VanDerWaalsContact O-NE2 3.08Å; L26-Q31 HydrophobicContact CB-CG 3.64Å; L26-Q31 HydrophobicContact CD1-CG 4.44Å; L26-Q31 PolarHBondContact O-NE2 2.88Å; L26-Q31 VanDerWaalsContact O-NE2 3.11Å; D27-Q31 WeakPolarHBondContact O-CB 3.3Å; D27-Q31 VanDerWaalsContact O-CG 3.25Å; D27-Q31 WeakPolarHBondContact O-CG 3.23Å; D27-Q31 PolarHBondContact O-N 2.85Å; E29-Q31 VanDerWaalsContact C-N 3.33Å; E29-Q31 PolarHBondContact O-N 2.85Å; Q31-F34 PolarHBondContact O-N 2.88Å; Q31-L35 VanDerWaalsContact O-CB 3.28Å; Q31-L35 WeakPolarHBondContact O-CB 3.47Å; Q31-L35 PolarHBondContact O-N 2.56Å
32E93.7Very high92.8Very high105 Ų10565.5 Ų65.549%0.49134%0.339SS..Hα-helixtrans-65.8-45.2179.8-166.5-176.3163.400111.6S28 E29 Q30 L35 R36S28-E32 PolarHBondContact O-N 3.25Å; S28-E32 VanDerWaalsContact O-N 3.14Å; E29-E32 PolarHBondContact O-N 3.4Å; Q30-E32 VanDerWaalsContact C-N 3.34Å; E32-L35 PolarHBondContact O-N 3.5Å; E32-R36 VanDerWaalsContact CD-NH2 3.28Å; E32-R36 WeakPolarHBondContact O-CG 3.36Å; E32-R36 PolarHBondContact O-N 2.6Å; E32-R36 VanDerWaalsContact O-N 3.13Å; E32-R36 IonicContact OE1-CZ 3.16Å; E32-R36 IonicContact OE1-NE 2.7Å; E32-R36 IonicContact OE1-NH2 2.69Å; E32-R36 PolarHBondContact OE1-NH2 3.46Å; E32-R36 IonicContact OE2-NH2 3.93Å
33V93Very high92.1Very high80 Ų8066.3 Ų66.349%0.48534%0.343SS..Hα-helixtrans-59.9-48.2176171.80000110.7E29 Q30 L35 R36 E37E29-V33 WeakPolarHBondContact O-CG2 3.46Å; E29-V33 PolarHBondContact O-N 3.4Å; Q30-V33 PolarHBondContact O-N 3.48Å; V33-L35 VanDerWaalsContact C-N 3.33Å; V33-L35 PolarHBondContact O-N 3.19Å; V33-R36 WeakPolarHBondContact O-CB 3.2Å; V33-R36 PolarHBondContact O-N 3.15Å; V33-E37 PolarHBondContact O-N 3.12Å; V33-E37 VanDerWaalsContact O-N 3.11Å
34F95Very high91.4Very high0 Ų070.4 Ų70.40%037%0.374CS..Hα-helixtrans-66.1-36.8-178.3-171.2-148.8000112.2V19 L20 W23 L26 Q30 Q31 R36 E37 L38 L214 G218 I220V19-F34 HydrophobicContact CG1-CZ 3.75Å; L20-F34 HydrophobicContact CD2-CE1 4.08Å; W23-F34 AromaticContact CE3-CD1 3.95Å; W23-F34 HydrophobicContact CE3-CD1 3.95Å; W23-F34 HydrophobicContact CZ3-CB 4.47Å; W23-F34 AromaticContact CZ3-CD1 4Å; W23-F34 HydrophobicContact CZ3-CD1 4Å; L26-F34 HydrophobicContact CD1-CB 4.44Å; L26-F34 HydrophobicContact CD1-CD1 3.87Å; Q30-F34 VanDerWaalsContact O-CB 3.31Å; Q30-F34 WeakPolarHBondContact O-CB 3.38Å; Q30-F34 PolarHBondContact O-N 3.18Å; Q31-F34 PolarHBondContact O-N 2.88Å; F34-R36 VanDerWaalsContact C-N 3.3Å; F34-R36 PolarHBondContact O-N 2.66Å; F34-E37 PolarHBondContact O-N 3.24Å; F34-L38 HydrophobicContact CD1-CD1 4.1Å; F34-L38 HydrophobicContact CD2-CD1 4.19Å; F34-L38 HydrophobicContact CD2-CG 4.07Å; F34-L38 HydrophobicContact CE1-CD1 3.97Å; F34-L38 HydrophobicContact CE2-CD1 4.05Å; F34-L38 HydrophobicContact CE2-CD2 4Å; F34-L38 HydrophobicContact CE2-CG 3.89Å; F34-L38 HydrophobicContact CG-CD1 4.21Å; F34-L38 HydrophobicContact CZ-CD1 3.95Å; F34-L38 HydrophobicContact CZ-CD2 4.17Å; F34-L38 HydrophobicContact CZ-CG 4.22Å; F34-L38 VanDerWaalsContact O-CG 3.28Å; F34-L38 WeakPolarHBondContact O-CG 3.21Å; F34-L38 PolarHBondContact O-N 3.17Å; F34-L214 HydrophobicContact CZ-CD2 4.01Å; F34-G218 WeakPolarHBondContact CB-O 3.47Å; F34-G218 WeakPolarHBondContact CD2-O 3.41Å; F34-G218 VanDerWaalsContact CG-O 3.3Å; F34-G218 WeakPolarHBondContact CG-O 3.33Å; F34-I220 HydrophobicContact CE2-CD1 4.27Å; F34-I220 HydrophobicContact CE2-CG1 4.06Å
35L93.5Very high90.9Very high34 Ų3471.4 Ų71.418%0.17836%0.363CS..Hα-helixtrans-63.2-37175.4-162.675.2000112.1L4 I7 W23 Q31 E32 V33 A39L4-L35 HydrophobicContact CB-CD1 4.24Å; L4-L35 HydrophobicContact CD1-CD1 4.18Å; I7-L35 HydrophobicContact CD1-CD1 3.41Å; I7-L35 VanDerWaalsContact CD1-CD1 3.41Å; I7-L35 HydrophobicContact CD1-CG 3.95Å; W23-L35 HydrophobicContact CH2-CB 4.22Å; W23-L35 HydrophobicContact CH2-CD1 4.06Å; W23-L35 HydrophobicContact CZ3-CD1 4.47Å; Q31-L35 VanDerWaalsContact O-CB 3.28Å; Q31-L35 WeakPolarHBondContact O-CB 3.47Å; Q31-L35 PolarHBondContact O-N 2.56Å; E32-L35 PolarHBondContact O-N 3.5Å; V33-L35 VanDerWaalsContact C-N 3.33Å; V33-L35 PolarHBondContact O-N 3.19Å; L35-A39 WeakPolarHBondContact O-CB 3.47Å; L35-A39 PolarHBondContact O-N 3.13Å
36R90.9Very high90.4Very high109 Ų10966.4 Ų66.441%0.41134%0.34SS..Hα-helixtrans-65.4-43.9174.9-68.5178.1-155.8173.88.6111.6M1 E32 V33 F34 A39 Q40M1-R36 HydrophobicContact CE-CG 3.72Å; M1-R36 HydrophobicContact SD-CG 3.7Å; E32-R36 VanDerWaalsContact CD-NH2 3.28Å; E32-R36 WeakPolarHBondContact O-CG 3.36Å; E32-R36 PolarHBondContact O-N 2.6Å; E32-R36 VanDerWaalsContact O-N 3.13Å; E32-R36 IonicContact OE1-CZ 3.16Å; E32-R36 IonicContact OE1-NE 2.7Å; E32-R36 IonicContact OE1-NH2 2.69Å; E32-R36 PolarHBondContact OE1-NH2 3.46Å; E32-R36 IonicContact OE2-NH2 3.93Å; V33-R36 WeakPolarHBondContact O-CB 3.2Å; V33-R36 PolarHBondContact O-N 3.15Å; F34-R36 VanDerWaalsContact C-N 3.3Å; F34-R36 PolarHBondContact O-N 2.66Å; R36-A39 WeakPolarHBondContact O-CB 3.38Å; R36-A39 PolarHBondContact O-N 2.95Å; R36-Q40 PolarHBondContact O-N 3.34Å
37E90.2Very high90Very high35 Ų3570.5 Ų70.516%0.16436%0.359CS..Hα-helixtrans-60.2-49.1176.1-174.5-176.1-173.600110.8V33 F34 A39 Q40 I220V33-E37 PolarHBondContact O-N 3.12Å; V33-E37 VanDerWaalsContact O-N 3.11Å; F34-E37 PolarHBondContact O-N 3.24Å; E37-A39 PolarHBondContact O-N 3.31Å; E37-Q40 WeakPolarHBondContact O-CB 3.17Å; E37-Q40 PolarHBondContact O-N 3.39Å; E37-I220 PolarHBondContact OE1-N 3.22Å; E37-I220 VanDerWaalsContact OE1-N 3.12Å
38L91.3Very high89.6Confident0 Ų072 Ų720%036%0.363CS..Hα-helixtrans-61.2-31.9177.5-68.8170.5000112.9I7 V19 L20 F34 Q40 L41 I220I7-L38 HydrophobicContact CD1-CB 3.88Å; I7-L38 HydrophobicContact CG2-CB 4.17Å; I7-L38 HydrophobicContact CG2-CD1 3.91Å; V19-L38 HydrophobicContact CG1-CD2 3.73Å; L20-L38 HydrophobicContact CD2-CD1 3.79Å; F34-L38 HydrophobicContact CD1-CD1 4.1Å; F34-L38 HydrophobicContact CD2-CD1 4.19Å; F34-L38 HydrophobicContact CD2-CG 4.07Å; F34-L38 HydrophobicContact CE1-CD1 3.97Å; F34-L38 HydrophobicContact CE2-CD1 4.05Å; F34-L38 HydrophobicContact CE2-CD2 4Å; F34-L38 HydrophobicContact CE2-CG 3.89Å; F34-L38 HydrophobicContact CG-CD1 4.21Å; F34-L38 HydrophobicContact CZ-CD1 3.95Å; F34-L38 HydrophobicContact CZ-CD2 4.17Å; F34-L38 HydrophobicContact CZ-CG 4.22Å; F34-L38 VanDerWaalsContact O-CG 3.28Å; F34-L38 WeakPolarHBondContact O-CG 3.21Å; F34-L38 PolarHBondContact O-N 3.17Å; L38-Q40 VanDerWaalsContact C-N 3.26Å; L38-Q40 PolarHBondContact O-N 2.88Å; L38-L41 HydrophobicContact CD2-CD1 3.99Å; L38-L41 WeakPolarHBondContact O-CB 3.44Å; L38-L41 PolarHBondContact O-N 3.13Å; L38-I220 HydrophobicContact CD2-CD1 3.47Å; L38-I220 VanDerWaalsContact CD2-CD1 3.47Å
39A88.6Confident89.3Confident36 Ų3668.9 Ų68.930%0.29834%0.337SS..Hα-helixtrans-72.1-17176.700000113.8P2 L35 R36 E37P2-A39 HydrophobicContact CG-CB 3.69Å; L35-A39 WeakPolarHBondContact O-CB 3.47Å; L35-A39 PolarHBondContact O-N 3.13Å; R36-A39 WeakPolarHBondContact O-CB 3.38Å; R36-A39 PolarHBondContact O-N 2.95Å; E37-A39 PolarHBondContact O-N 3.31Å
40Q85.8Confident89.1Confident147 Ų14762 Ų6269%0.68731%0.306SS*.Hα-helixtrans-85.9-14.9175-67.3176-0.300112.7R36 E37 L38R36-Q40 PolarHBondContact O-N 3.34Å; E37-Q40 WeakPolarHBondContact O-CB 3.17Å; E37-Q40 PolarHBondContact O-N 3.39Å; L38-Q40 VanDerWaalsContact C-N 3.26Å; L38-Q40 PolarHBondContact O-N 2.88Å
41L84.9Confident88.8Confident18 Ų1863.9 Ų63.99%0.09431%0.309CS..SBendtrans-67.8141.5174.5-61.7179.3000110.8L38 L43 P204 I220 M222L38-L41 HydrophobicContact CD2-CD1 3.99Å; L38-L41 WeakPolarHBondContact O-CB 3.44Å; L38-L41 PolarHBondContact O-N 3.13Å; L41-L43 HydrophobicContact CB-CD2 4.09Å; L41-L43 HydrophobicContact CB-CG 4.32Å; L41-L43 HydrophobicContact CD1-CD2 4.34Å; L41-L43 PolarHBondContact O-N 2.92Å; L41-P204 HydrophobicContact CD2-CG 3.73Å; L41-I220 HydrophobicContact CD1-CD1 3.69Å; L41-M222 HydrophobicContact CD2-CE 3.71Å; L41-M222 HydrophobicContact CD2-SD 4.01Å
42D84.3Confident88.4Confident71 Ų7163.1 Ų63.138%0.3831%0.311SS..  trans-73.875.2164.2-166.5-20.1000109.1P44 R45 L46D42-P44 VanDerWaalsContact C-CD 3.45Å; D42-P44 VanDerWaalsContact C-N 3.32Å; D42-P44 WeakPolarHBondContact OD1-CD 3.39Å; D42-R45 HydrophobicContact CB-CB 4.29Å; D42-R45 CarbonylContact O-C 3.55Å; D42-R45 PolarHBondContact O-N 2.98Å; D42-R45 PolarHBondContact OD1-N 3.24Å; D42-R45 WeakPolarHBondContact OD2-CD 3.5Å; D42-R45 WeakPolarHBondContact OD2-CG 3.46Å; D42-R45 IonicContact OD2-NE 3.58Å; D42-R45 PolarHBondContact OD2-NE 3.18Å; D42-L46 PolarHBondContact O-N 2.95Å
43L82.3Confident88.1Confident23 Ų2358.1 Ų58.112%0.1229%0.288CS..Hα-helixtrans-53.7-40.8-177.8-65.7171.8000112.8I7 A10 L11 L41 R45 L46I7-L43 HydrophobicContact CG1-CD1 4.18Å; A10-L43 HydrophobicContact CB-CB 4.13Å; A10-L43 HydrophobicContact CB-CD1 4.02Å; A10-L43 HydrophobicContact CB-CG 4.47Å; L11-L43 HydrophobicContact CD2-CD2 4.38Å; L41-L43 HydrophobicContact CB-CD2 4.09Å; L41-L43 HydrophobicContact CB-CG 4.32Å; L41-L43 HydrophobicContact CD1-CD2 4.34Å; L41-L43 PolarHBondContact O-N 2.92Å; L43-R45 VanDerWaalsContact C-N 3.28Å; L43-R45 PolarHBondContact O-N 2.92Å; L43-L46 HydrophobicContact CD2-CD2 4.23Å; L43-L46 WeakPolarHBondContact O-CB 3.42Å; L43-L46 PolarHBondContact O-N 3.43Å
44P82Confident87.8Confident114 Ų11455.5 Ų55.574%0.7428%0.275SS*.Hα-helixtrans-58.6-34.5173.6-26.535.5000114.5D42D42-P44 VanDerWaalsContact C-CD 3.45Å; D42-P44 VanDerWaalsContact C-N 3.32Å; D42-P44 WeakPolarHBondContact OD1-CD 3.39Å
45R85.1Confident87.4Confident130 Ų13061.2 Ų61.249%0.49130%0.301SS..Hα-helixtrans-93.8-3.7179.5-61.9-170-172.8-172.2-5.5113.7D42 L43 E47 E48 H49D42-R45 HydrophobicContact CB-CB 4.29Å; D42-R45 CarbonylContact O-C 3.55Å; D42-R45 PolarHBondContact O-N 2.98Å; D42-R45 PolarHBondContact OD1-N 3.24Å; D42-R45 WeakPolarHBondContact OD2-CD 3.5Å; D42-R45 WeakPolarHBondContact OD2-CG 3.46Å; D42-R45 IonicContact OD2-NE 3.58Å; D42-R45 PolarHBondContact OD2-NE 3.18Å; L43-R45 VanDerWaalsContact C-N 3.28Å; L43-R45 PolarHBondContact O-N 2.92Å; R45-E47 PolarHBondContact O-N 3.16Å; R45-E48 PolarHBondContact O-N 3.45Å; R45-H49 WeakPolarHBondContact O-CB 3.36Å; R45-H49 PolarHBondContact O-N 2.94Å
46L86.9Confident86.7Confident7 Ų761 Ų614%0.03730%0.304CS..Hα-helixtrans-63.1-41.9-176.4-176.661.4000112L11 Q16 D42 L43 H49 C50 P204 V212L11-L46 HydrophobicContact CD2-CD2 3.89Å; Q16-L46 HydrophobicContact CB-CD2 4.43Å; Q16-L46 HydrophobicContact CG-CD2 4.04Å; Q16-L46 HydrophobicContact CG-CG 4.3Å; D42-L46 PolarHBondContact O-N 2.95Å; L43-L46 HydrophobicContact CD2-CD2 4.23Å; L43-L46 WeakPolarHBondContact O-CB 3.42Å; L43-L46 PolarHBondContact O-N 3.43Å; L46-H49 PolarHBondContact O-N 3.23Å; L46-C50 WeakPolarHBondContact O-CB 3.35Å; L46-C50 PolarHBondContact O-N 3.24Å; L46-C50 PolarHBondContact O-SG 2.71Å; L46-P204 HydrophobicContact CD1-CG 4.01Å; L46-V212 HydrophobicContact CD1-CG2 3.97Å
47E87.9Confident86.1Confident99 Ų9956.1 Ų56.146%0.46329%0.287SS..Hα-helixtrans-60.2-47.5175.7-171.2-171.7163.600111.3R45 C50 R51R45-E47 PolarHBondContact O-N 3.16Å; E47-C50 PolarHBondContact O-N 3.27Å; E47-R51 WeakPolarHBondContact O-CB 3.46Å; E47-R51 PolarHBondContact O-N 3.27Å
48E88Confident85.6Confident112 Ų11257.2 Ų57.252%0.52330%0.302SS..Hα-helixtrans-61.2-46.6178.8-177.3178.6-16400111.5R45 C50 R51 A52R45-E48 PolarHBondContact O-N 3.45Å; E48-C50 PolarHBondContact O-N 3.45Å; E48-R51 PolarHBondContact O-N 2.84Å; E48-A52 WeakPolarHBondContact O-CB 3.42Å; E48-A52 PolarHBondContact O-N 3.49Å
49H88.6Confident84.7Confident36 Ų3659.6 Ų59.617%0.16732%0.322CS..Hα-helixtrans-57.5-49.2176.2172.966.1000111.9R45 L46 R51 A52 A53 P204R45-H49 WeakPolarHBondContact O-CB 3.36Å; R45-H49 PolarHBondContact O-N 2.94Å; L46-H49 PolarHBondContact O-N 3.23Å; H49-R51 PolarHBondContact O-N 2.88Å; H49-A52 PolarHBondContact O-N 2.92Å; H49-A53 WeakPolarHBondContact O-CB 3.32Å; H49-A53 PolarHBondContact O-N 3.24Å; H49-P204 PolarHBondContact NE2-O 3.09Å
50C89.9Confident83.7Confident4 Ų461 Ų613%0.02733%0.334CS..Hα-helixtrans-63.6-43.5-178.8-69.50000112Q16 L46 E47 E48 A54 G210Q16-C50 PolarHBondContact NE2-SG 3.44Å; Q16-C50 VanDerWaalsContact NE2-SG 3.38Å; L46-C50 WeakPolarHBondContact O-CB 3.35Å; L46-C50 PolarHBondContact O-N 3.24Å; L46-C50 PolarHBondContact O-SG 2.71Å; E47-C50 PolarHBondContact O-N 3.27Å; E48-C50 PolarHBondContact O-N 3.45Å; C50-A54 PolarHBondContact O-N 3.45Å; C50-A54 VanDerWaalsContact O-N 3.16Å; C50-G210 VanDerWaalsContact CB-O 3.28Å; C50-G210 WeakPolarHBondContact CB-O 3.27Å
51R88.8Confident82.5Confident132 Ų13259 Ų5950%0.49834%0.336SS..Hα-helixtrans-64.2-49.5176.2-177.8-179.565.4-158.4-3.2111.3E47 E48 H49 A53 A54 E55E47-R51 WeakPolarHBondContact O-CB 3.46Å; E47-R51 PolarHBondContact O-N 3.27Å; E48-R51 PolarHBondContact O-N 2.84Å; H49-R51 PolarHBondContact O-N 2.88Å; R51-A53 VanDerWaalsContact C-N 3.29Å; R51-A53 PolarHBondContact O-N 3.19Å; R51-A54 PolarHBondContact O-N 2.88Å; R51-E55 HydrophobicContact CG-CG 4.37Å; R51-E55 VanDerWaalsContact CG-OE1 3.31Å; R51-E55 WeakPolarHBondContact CG-OE1 3.33Å; R51-E55 WeakPolarHBondContact O-CG 3.16Å; R51-E55 PolarHBondContact O-N 3.35Å
52A86.9Confident80.7Confident34 Ų3463.3 Ų63.328%0.28137%0.367SS..Hα-helixtrans-60.3-39.7-179.200000111.9E48 H49 A56 M382E48-A52 WeakPolarHBondContact O-CB 3.42Å; E48-A52 PolarHBondContact O-N 3.49Å; H49-A52 PolarHBondContact O-N 2.92Å; A52-A56 WeakPolarHBondContact O-CB 3.33Å; A52-A56 PolarHBondContact O-N 3.44Å; A52-M382 HydrophobicContact CB-CE 4.45Å
53A87.1Confident78.8Confident0 Ų062.6 Ų62.60%037%0.37CS..Hα-helixtrans-64.2-46.3175.700000112.3H49 R51 A56 A57 V206 I380 M382H49-A53 WeakPolarHBondContact O-CB 3.32Å; H49-A53 PolarHBondContact O-N 3.24Å; R51-A53 VanDerWaalsContact C-N 3.29Å; R51-A53 PolarHBondContact O-N 3.19Å; A53-A56 PolarHBondContact O-N 2.98Å; A53-A57 PolarHBondContact O-N 2.98Å; A53-V206 HydrophobicContact CB-CG2 3.37Å; A53-I380 HydrophobicContact CB-CD1 4.35Å; A53-I380 HydrophobicContact CB-CG2 4.15Å; A53-I380 WeakPolarHBondContact O-CD1 3.3Å; A53-M382 HydrophobicContact CB-CG 3.97Å; A53-M382 HydrophobicContact CB-SD 4.03Å
54A86.9Confident76.9Confident25 Ų2567.5 Ų67.521%0.20740%0.403CS..Hα-helixtrans-62.6-45.9177.800000112C50 R51 A56 A57 A58C50-A54 PolarHBondContact O-N 3.45Å; C50-A54 VanDerWaalsContact O-N 3.16Å; R51-A54 PolarHBondContact O-N 2.88Å; A54-A56 VanDerWaalsContact C-N 3.34Å; A54-A56 PolarHBondContact O-N 3.46Å; A54-A57 PolarHBondContact O-N 3.17Å; A54-A58 PolarHBondContact O-N 2.96Å
55E86.6Confident75.1Confident119 Ų11966.6 Ų66.656%0.55639%0.392SS*.Hα-helixtrans-59.7-44.3175.6-74175.1-174.800111.6R51 A58 A59R51-E55 HydrophobicContact CG-CG 4.37Å; R51-E55 VanDerWaalsContact CG-OE1 3.31Å; R51-E55 WeakPolarHBondContact CG-OE1 3.33Å; R51-E55 WeakPolarHBondContact O-CG 3.16Å; R51-E55 PolarHBondContact O-N 3.35Å; E55-A58 PolarHBondContact O-N 3.02Å; E55-A59 WeakPolarHBondContact O-CB 3.2Å; E55-A59 PolarHBondContact O-N 3.2Å
56A78.3Confident73.6Confident30 Ų3069.2 Ų69.225%0.24840%0.402CS..Hα-helixtrans-69.1-34.7-178.800000112.5A52 A53 A54 A59 A60 V357 M382A52-A56 WeakPolarHBondContact O-CB 3.33Å; A52-A56 PolarHBondContact O-N 3.44Å; A53-A56 PolarHBondContact O-N 2.98Å; A54-A56 VanDerWaalsContact C-N 3.34Å; A54-A56 PolarHBondContact O-N 3.46Å; A56-A59 PolarHBondContact O-N 3.28Å; A56-A60 WeakPolarHBondContact O-CB 3.46Å; A56-A60 PolarHBondContact O-N 2.93Å; A56-V357 HydrophobicContact CB-CG2 3.25Å; A56-M382 HydrophobicContact CB-CE 4.4Å
57A78.2Confident72Confident7 Ų773.6 Ų73.66%0.05843%0.426CS..Hα-helixtrans-70.2-36.9173.400000113.2A53 A54 A60 S61 I380A53-A57 PolarHBondContact O-N 2.98Å; A54-A57 PolarHBondContact O-N 3.17Å; A57-A60 PolarHBondContact O-N 2.71Å; A57-S61 PolarHBondContact O-N 3.47Å; A57-S61 PolarHBondContact O-OG 3.49Å; A57-I380 HydrophobicContact CB-CD1 3.38Å; A57-I380 HydrophobicContact CB-CG1 4.05Å
58A80.3Confident70.6Confident57 Ų5771.7 Ų71.747%0.47142%0.418SS..Hα-helixtrans-63.3-44.817200000110.8A54 E55 A60 S61 C62A54-A58 PolarHBondContact O-N 2.96Å; E55-A58 PolarHBondContact O-N 3.02Å; A58-A60 PolarHBondContact O-N 3.12Å; A58-S61 WeakPolarHBondContact O-CB 3.27Å; A58-S61 PolarHBondContact O-N 2.92Å; A58-S61 VanDerWaalsContact O-N 3.15Å; A58-C62 PolarHBondContact O-N 2.93Å; A58-C62 VanDerWaalsContact O-N 3.12Å; A58-C62 PolarHBondContact O-SG 2.93Å
59A72.2Confident69.4Low50 Ų5068.8 Ų68.841%0.41341%0.405SS..Hα-helixtrans-62.1-42.7176.400000112.5E55 A56 S61 C62 A63E55-A59 WeakPolarHBondContact O-CB 3.2Å; E55-A59 PolarHBondContact O-N 3.2Å; A56-A59 PolarHBondContact O-N 3.28Å; A59-S61 PolarHBondContact O-N 3.14Å; A59-C62 PolarHBondContact O-N 3.3Å; A59-C62 VanDerWaalsContact O-N 3.08Å; A59-A63 WeakPolarHBondContact O-CB 3.25Å; A59-A63 PolarHBondContact O-N 3.05Å
60A66.5Low68.1Low67 Ų6771.4 Ų71.455%0.55443%0.425SS*.Hα-helixtrans-61.7-28.3175.800000112.9A56 A57 A58A56-A60 WeakPolarHBondContact O-CB 3.46Å; A56-A60 PolarHBondContact O-N 2.93Å; A57-A60 PolarHBondContact O-N 2.71Å; A58-A60 PolarHBondContact O-N 3.12Å
61S59.9Low67.8Low105 Ų10575.5 Ų75.573%0.73445%0.447SS*.Hα-helixtrans-81.1-22.4176-55.80000113A57 A58 A59A57-S61 PolarHBondContact O-N 3.47Å; A57-S61 PolarHBondContact O-OG 3.49Å; A58-S61 WeakPolarHBondContact O-CB 3.27Å; A58-S61 PolarHBondContact O-N 2.92Å; A58-S61 VanDerWaalsContact O-N 3.15Å; A59-S61 PolarHBondContact O-N 3.14Å
62C49Very low67.8Low108 Ų10870.2 Ų70.273%0.7343%0.428SS*.Hα-helixtrans-108.5-12.4-174.2-68.60000115A58 A59A58-C62 PolarHBondContact O-N 2.93Å; A58-C62 VanDerWaalsContact O-N 3.12Å; A58-C62 PolarHBondContact O-SG 2.93Å; A59-C62 PolarHBondContact O-N 3.3Å; A59-C62 VanDerWaalsContact O-N 3.08Å
63A42.8Very low68.2Low55 Ų5572.2 Ų72.246%0.45543%0.432SS..  trans-121.9100.7-175.300000112.1A59A59-A63 WeakPolarHBondContact O-CB 3.25Å; A59-A63 PolarHBondContact O-N 3.05Å
64P43.5Very low68.5Low126 Ų12675 Ų7582%0.81845%0.45SS*.SBendtrans-72.7-16.7163-11.427.3000112.6
65D44.5Very low68.9Low95 Ų9574.6 Ų74.651%0.50845%0.445SS..  trans-133.288.5-168-86-26.2000111.8D67 R312D65-D67 VanDerWaalsContact C-N 3.34Å; D65-D67 PolarHBondContact O-N 2.91Å; D65-R312 IonicContact OD1-CZ 3.92Å; D65-R312 IonicContact OD1-NE 3.95Å; D65-R312 PolarHBondContact OD1-NE 3.27Å; D65-R312 IonicContact OD1-NH2 3.13Å; D65-R312 PolarHBondContact OD1-NH2 3.14Å; D65-R312 IonicContact OD2-NH2 2.95Å; D65-R312 PolarHBondContact OD2-NH2 2.59Å
66R52.1Low69.2Low186 Ų18669.9 Ų69.970%0.70243%0.425SS*.  trans-75.3102.8140.6-76.9-172.7176-178.82.4105L68R66-L68 HydrophobicContact CB-CG 4.31Å; R66-L68 PolarHBondContact O-N 2.92Å
67D53.1Low69.9Low99 Ų9973.6 Ų73.653%0.52945%0.446SS..  trans-70.466.8179.6-146.720000109.3D65 E69 P70 R312D65-D67 VanDerWaalsContact C-N 3.34Å; D65-D67 PolarHBondContact O-N 2.91Å; D67-E69 PolarHBondContact O-N 3.46Å; D67-P70 WeakPolarHBondContact O-CD 3.48Å; D67-R312 IonicContact OD1-CZ 2.78Å; D67-R312 IonicContact OD1-NH1 3.64Å; D67-R312 PolarHBondContact OD1-NH1 2.91Å; D67-R312 IonicContact OD1-NH2 3.72Å; D67-R312 PolarHBondContact OD1-NH2 3.15Å
68L59.4Low70.6Confident58 Ų5879.7 Ų79.730%0.30447%0.473SS..  trans-71.3-14.8170.5-67.4169.9000110.7R66 L72 V299R66-L68 HydrophobicContact CB-CG 4.31Å; R66-L68 PolarHBondContact O-N 2.92Å; L68-L72 PolarHBondContact O-N 2.65Å; L68-V299 HydrophobicContact CD2-CG1 4.28Å
69E62Low71.3Confident51 Ų5178.6 Ų78.624%0.23846%0.462CS..G310 helixtrans-65.7-42-169.7-63.9-136.9141.200117.1D67 N71 L72 R312 T315D67-E69 PolarHBondContact O-N 3.46Å; E69-N71 PolarHBondContact O-N 2.75Å; E69-L72 PolarHBondContact O-N 3.42Å; E69-R312 HydrophobicContact CG-CG 4.41Å; E69-R312 WeakPolarHBondContact OE1-CB 3.46Å; E69-R312 VanDerWaalsContact OE1-CD 3.3Å; E69-R312 WeakPolarHBondContact OE1-CD 3.47Å; E69-R312 WeakPolarHBondContact OE1-CG 3.4Å; E69-R312 WeakPolarHBondContact OE2-CD 3.42Å; E69-R312 IonicContact OE2-CZ 2.71Å; E69-R312 IonicContact OE2-NE 3.92Å; E69-R312 IonicContact OE2-NH1 3.43Å; E69-R312 PolarHBondContact OE2-NH1 2.78Å; E69-T315 VanDerWaalsContact CD-OG1 3.3Å; E69-T315 WeakPolarHBondContact OE1-CB 3.48Å; E69-T315 PolarHBondContact OE1-OG1 3.39Å
70P62.4Low72.4Confident92 Ų9278.4 Ų78.460%0.59745%0.454SS*.G310 helixtrans-64.1-15-175.422.3-30.1000112.9D67D67-P70 WeakPolarHBondContact O-CD 3.48Å
71N82.6Confident73.8Confident90 Ų9075.4 Ų75.448%0.48143%0.429SS..G310 helixtrans-119.210.1-178.3-59-37000113.6E69 V299 G300E69-N71 PolarHBondContact O-N 2.75Å; N71-V299 HydrophobicContact CB-CG1 4.26Å; N71-V299 WeakPolarHBondContact O-CA 3.18Å; N71-G300 PolarHBondContact O-N 2.94Å
72L90.1Very high75.6Confident20 Ų2070.6 Ų70.611%0.10540%0.395CS..EExtended strand (participates in β ladder)trans-76.9126.2179.1-166.173.5000110L68 E69 C297 R298 V299 V306 T315 Y327L68-L72 PolarHBondContact O-N 2.65Å; E69-L72 PolarHBondContact O-N 3.42Å; L72-C297 HydrophobicContact CD1-CB 4.13Å; L72-C297 VanDerWaalsContact CD1-SG 3.51Å; L72-R298 WeakPolarHBondContact CA-O 3.36Å; L72-V299 HydrophobicContact CD1-CG2 3.44Å; L72-V299 VanDerWaalsContact CD1-CG2 3.44Å; L72-V306 HydrophobicContact CD1-CG2 3.99Å; L72-T315 HydrophobicContact CD2-CG2 3.52Å; L72-Y327 VanDerWaalsContact C-OH 3.25Å; L72-Y327 HydrophobicContact CD2-CD1 4.22Å; L72-Y327 HydrophobicContact CD2-CD2 4.45Å; L72-Y327 HydrophobicContact CD2-CE1 3.65Å; L72-Y327 HydrophobicContact CD2-CE2 3.9Å; L72-Y327 VanDerWaalsContact CD2-CZ 3.47Å; L72-Y327 HydrophobicContact CG-CE1 3.64Å; L72-Y327 WeakPolarHBondContact CG-OH 3.49Å; L72-Y327 PolarHBondContact O-OH 3.49Å
73E93.9Very high77.9Confident76 Ų7667 Ų6736%0.35537%0.37SS..EExtended strand (participates in β ladder)trans-130.4142.9-179-66167.4-135.400109.9C297 R298E73-C297 WeakPolarHBondContact O-CB 3.35Å; E73-R298 HydrophobicContact CB-CB 4.14Å; E73-R298 PolarHBondContact N-O 2.86Å; E73-R298 PolarHBondContact O-N 2.89Å; E73-R298 IonicContact OE2-NH1 3.34Å; E73-R298 PolarHBondContact OE2-NH1 3.15Å
74P94.3Very high80.2Confident58 Ų5869.6 Ų69.638%0.37737%0.368SS..PPolyproline II helixtrans-65.5166.4171.930.8-35.6000110.9V326 Y327P74-V326 HydrophobicContact CB-CG1 4.22Å; P74-V326 HydrophobicContact CG-CG1 4.24Å; P74-Y327 HydrophobicContact CB-CE1 4.48Å
75V94.8Very high82.6Confident18 Ų1870.9 Ų70.911%0.10936%0.357CS..PPolyproline II helixtrans-62.7130.2173.7-178.20000109.4M80 V296 A329 V398V75-M80 HydrophobicContact CB-CE 3.72Å; V75-M80 HydrophobicContact CG1-CB 4.26Å; V75-M80 HydrophobicContact CG1-CE 3.94Å; V75-M80 HydrophobicContact CG2-CE 4.17Å; V75-V296 HydrophobicContact CG2-CB 4.38Å; V75-V296 HydrophobicContact CG2-CG1 4Å; V75-V296 VanDerWaalsContact CG2-O 3.3Å; V75-V296 WeakPolarHBondContact CG2-O 3.3Å; V75-A329 HydrophobicContact CG2-CB 4.36Å; V75-V398 HydrophobicContact CG1-CB 4.1Å; V75-V398 HydrophobicContact CG1-CG2 3.76Å; V75-V398 HydrophobicContact CG2-CG2 4.14Å
76P93.8Very high84.9Confident20 Ų2067.8 Ų67.813%0.1334%0.342CS..PPolyproline II helixtrans-62.6136.6177.5-21.732.4000111.8E78 S79 M80P76-E78 HydrophobicContact CB-CG 4.16Å; P76-E78 VanDerWaalsContact CB-OE1 3.27Å; P76-E78 WeakPolarHBondContact CB-OE1 3.43Å; P76-E78 VanDerWaalsContact CB-OE2 3.3Å; P76-E78 WeakPolarHBondContact CB-OE2 3.43Å; P76-E78 PolarHBondContact O-N 3.02Å; P76-E78 VanDerWaalsContact O-N 3.16Å; P76-S79 PolarHBondContact O-N 2.88Å; P76-S79 VanDerWaalsContact O-N 3.08Å; P76-M80 PolarHBondContact O-N 3.39Å
77P92.4Very high86.9Confident108 Ų10863 Ų6370%0.70133%0.33SS*.G310 helixtrans-55.5-32.9-179.2-27.235.3000114.3S79 M80P77-S79 VanDerWaalsContact C-N 3.28Å; P77-S79 PolarHBondContact O-N 2.82Å; P77-M80 PolarHBondContact O-N 3.31Å; P77-M80 VanDerWaalsContact O-N 3.16Å
78E93.1Very high89Confident134 Ų13462.6 Ų62.663%0.62633%0.333SS*.G310 helixtrans-65.9-28.5179.562.3-88.1-154.800113.9P76P76-E78 HydrophobicContact CB-CG 4.16Å; P76-E78 VanDerWaalsContact CB-OE1 3.27Å; P76-E78 WeakPolarHBondContact CB-OE1 3.43Å; P76-E78 VanDerWaalsContact CB-OE2 3.3Å; P76-E78 WeakPolarHBondContact CB-OE2 3.43Å; P76-E78 PolarHBondContact O-N 3.02Å; P76-E78 VanDerWaalsContact O-N 3.16Å
79S94.1Very high90.7Very high35 Ų3566 Ų6625%0.24535%0.352CS..G310 helixtrans-91.2-4.9176.8-65.20000112.5P76 P77 V397 V398P76-S79 PolarHBondContact O-N 2.88Å; P76-S79 VanDerWaalsContact O-N 3.08Å; P77-S79 VanDerWaalsContact C-N 3.28Å; P77-S79 PolarHBondContact O-N 2.82Å; S79-V397 CarbonylContact O-C 3.57Å; S79-V397 WeakPolarHBondContact O-CA 3.43Å; S79-V398 PolarHBondContact O-N 2.89Å
80M96.1Very high92.3Very high46 Ų4666.4 Ų66.423%0.22736%0.36CS..EExtended strand (participates in β ladder)trans-109.4120.5-176.2-174.4176-82.200112V75 P76 P77 A329 V398V75-M80 HydrophobicContact CB-CE 3.72Å; V75-M80 HydrophobicContact CG1-CB 4.26Å; V75-M80 HydrophobicContact CG1-CE 3.94Å; V75-M80 HydrophobicContact CG2-CE 4.17Å; P76-M80 PolarHBondContact O-N 3.39Å; P77-M80 PolarHBondContact O-N 3.31Å; P77-M80 VanDerWaalsContact O-N 3.16Å; M80-A329 HydrophobicContact CE-CB 4.16Å; M80-V398 CarbonylContact C-O 3.51Å; M80-V398 VanDerWaalsContact CA-O 3.29Å; M80-V398 WeakPolarHBondContact CA-O 3.41Å; M80-V398 HydrophobicContact CE-CB 4.38Å; M80-V398 HydrophobicContact CE-CG1 3.91Å
81G97.1Very high94Very high3 Ų363.7 Ų63.73%0.03134%0.34CS..EExtended strand (participates in β ladder)trans-91.3158161.300000111V398 E400G81-V398 PolarHBondContact N-O 3.43Å; G81-E400 PolarHBondContact O-N 3.08Å
82S97.3Very high94.7Very high5 Ų562 Ų624%0.03534%0.339CS..EExtended strand (participates in β ladder)trans-143.6127.71751700000111.4R84 R85 S86 E400S82-R84 PolarHBondContact O-N 2.99Å; S82-R84 PolarHBondContact OG-N 2.96Å; S82-R85 PolarHBondContact O-N 3.22Å; S82-R85 PolarHBondContact OG-N 2.73Å; S82-R85 VanDerWaalsContact OG-N 3.13Å; S82-S86 PolarHBondContact N-OG 3.44Å; S82-S86 VanDerWaalsContact N-OG 3.1Å; S82-S86 WeakPolarHBondContact O-CB 3.27Å; S82-S86 PolarHBondContact O-N 3.32Å; S82-S86 PolarHBondContact O-OG 2.98Å; S82-E400 WeakPolarHBondContact CA-O 3.43Å; S82-E400 VanDerWaalsContact CB-OE2 3.23Å; S82-E400 WeakPolarHBondContact CB-OE2 3.48Å; S82-E400 PolarHBondContact OG-OE2 3.22Å
83V95.9Very high95.1Very high33 Ų3362.1 Ų62.120%0.235%0.345CS..THydrogen-bonded Turntrans-62.2-26.7174.1178.10000111.7L267 E400 V401V83-L267 HydrophobicContact CG2-CD2 3.7Å; V83-E400 PolarHBondContact N-O 3.18Å; V83-V401 HydrophobicContact CG2-CB 4.29Å; V83-V401 HydrophobicContact CG2-CG1 3.83Å
84R92.8Very high95.3Very high108 Ų10860 Ų6041%0.40833%0.334SS..THydrogen-bonded Turntrans-85.8-36.1-179.5-70.3-179.3171.3173.51.4113S82 E285 R402 E404S82-R84 PolarHBondContact O-N 2.99Å; S82-R84 PolarHBondContact OG-N 2.96Å; R84-E285 IonicContact NH1-OE2 2.75Å; R84-R402 HydrophobicContact CG-CG 4Å; R84-E404 IonicContact NH2-OE1 2.66Å; R84-E404 PolarHBondContact NH2-OE1 3.34Å; R84-E404 IonicContact NH2-OE2 3.48Å; R84-E404 PolarHBondContact NH2-OE2 2.73Å; R84-E404 VanDerWaalsContact NH2-OE2 3.13Å
85R92.4Very high95.5Very high154 Ų15460.2 Ų60.258%0.58133%0.329SS*.THydrogen-bonded Turntrans-108.1-17.8-168.4-58.4-175.5-71-87.70.4114.4S82 E400S82-R85 PolarHBondContact O-N 3.22Å; S82-R85 PolarHBondContact OG-N 2.73Å; S82-R85 VanDerWaalsContact OG-N 3.13Å; R85-E400 IonicContact CZ-OE1 3.42Å; R85-E400 IonicContact CZ-OE2 3.07Å; R85-E400 VanDerWaalsContact NH1-CD 3.3Å; R85-E400 IonicContact NH1-OE1 2.9Å; R85-E400 PolarHBondContact NH1-OE1 2.97Å; R85-E400 IonicContact NH1-OE2 2.87Å; R85-E400 PolarHBondContact NH1-OE2 3.47Å; R85-E400 IonicContact NH2-OE1 2.99Å; R85-E400 PolarHBondContact NH2-OE1 2.94Å; R85-E400 IonicContact NH2-OE2 2.9Å; R85-E400 PolarHBondContact NH2-OE2 2.76Å
86S94.1Very high95.7Very high29 Ų2968.1 Ų68.120%0.20336%0.357CS..SBendtrans-74.3151.8-179.3-500000111.1S82S82-S86 PolarHBondContact N-OG 3.44Å; S82-S86 VanDerWaalsContact N-OG 3.1Å; S82-S86 WeakPolarHBondContact O-CB 3.27Å; S82-S86 PolarHBondContact O-N 3.32Å; S82-S86 PolarHBondContact O-OG 2.98Å
87D94.5Very high95.9Very high85 Ų8569.7 Ų69.746%0.45536%0.363SS..  trans-60.7138.3176.1176.8-93.9000111.8D89 C90 L91D87-D89 VanDerWaalsContact C-N 3.29Å; D87-D89 PolarHBondContact O-N 3.16Å; D87-D89 WeakPolarHBondContact OD1-CA 3.19Å; D87-D89 VanDerWaalsContact OD1-CB 3.28Å; D87-D89 WeakPolarHBondContact OD1-CB 3.35Å; D87-D89 PolarHBondContact OD1-N 2.78Å; D87-C90 HydrophobicContact CB-CB 4.3Å; D87-C90 WeakPolarHBondContact O-CB 3.3Å; D87-C90 PolarHBondContact O-N 3.39Å; D87-C90 VanDerWaalsContact O-N 3.08Å; D87-C90 PolarHBondContact OD1-N 2.72Å; D87-L91 PolarHBondContact O-N 3Å
88P95.7Very high96.2Very high91 Ų9164.5 Ų64.559%0.59133%0.329SS*.Hα-helixtrans-56.6-35.5-179.4-27.836.2000114.8C90 L91 A92P88-C90 VanDerWaalsContact C-N 3.34Å; P88-L91 PolarHBondContact O-N 3.39Å; P88-A92 WeakPolarHBondContact O-CB 3.13Å; P88-A92 PolarHBondContact O-N 3.04Å
89D96Very high96.5Very high131 Ų13158.4 Ų58.470%0.70130%0.301SS*.Hα-helixtrans-71.6-33178.6-67.4-27.8000111D87 G93D87-D89 VanDerWaalsContact C-N 3.29Å; D87-D89 PolarHBondContact O-N 3.16Å; D87-D89 WeakPolarHBondContact OD1-CA 3.19Å; D87-D89 VanDerWaalsContact OD1-CB 3.28Å; D87-D89 WeakPolarHBondContact OD1-CB 3.35Å; D87-D89 PolarHBondContact OD1-N 2.78Å; D89-G93 PolarHBondContact O-N 2.99Å
90C95.8Very high96.7Very high59 Ų5959 Ų5940%0.39930%0.301SS..Hα-helixtrans-63-46.8171-670000111.2D87 P88 A92 G93 W94D87-C90 HydrophobicContact CB-CB 4.3Å; D87-C90 WeakPolarHBondContact O-CB 3.3Å; D87-C90 PolarHBondContact O-N 3.39Å; D87-C90 VanDerWaalsContact O-N 3.08Å; D87-C90 PolarHBondContact OD1-N 2.72Å; P88-C90 VanDerWaalsContact C-N 3.34Å; C90-A92 PolarHBondContact O-N 3.43Å; C90-G93 PolarHBondContact O-N 3.47Å; C90-W94 HydrophobicContact CB-CH2 4.49Å; C90-W94 HydrophobicContact CB-CZ2 4.07Å; C90-W94 PolarHBondContact O-N 3.1Å
91L97.6Very high96.8Very high34 Ų3457.2 Ų57.218%0.17829%0.292CS..Hα-helixtrans-60.5-45.9177.5-65.3173.6000111.5D87 P88 G93 W94 E95 L267D87-L91 PolarHBondContact O-N 3Å; P88-L91 PolarHBondContact O-N 3.39Å; L91-G93 VanDerWaalsContact C-N 3.32Å; L91-G93 PolarHBondContact O-N 2.96Å; L91-W94 HydrophobicContact CD2-CE3 3.81Å; L91-W94 HydrophobicContact CD2-CZ3 3.63Å; L91-W94 PolarHBondContact O-N 3.05Å; L91-E95 PolarHBondContact O-N 2.92Å; L91-L267 HydrophobicContact CB-CD1 4.21Å; L91-L267 HydrophobicContact CD2-CD1 4.08Å; L91-L267 HydrophobicContact CD2-CD2 4.32Å; L91-L267 WeakPolarHBondContact O-CD1 3.14Å
92A97.7Very high96.9Very high56 Ų5657.1 Ų57.146%0.46329%0.291SS..Hα-helixtrans-63.3-38.4176.100000112.1P88 C90 E95 R96P88-A92 WeakPolarHBondContact O-CB 3.13Å; P88-A92 PolarHBondContact O-N 3.04Å; C90-A92 PolarHBondContact O-N 3.43Å; A92-E95 PolarHBondContact O-N 3.38Å; A92-R96 WeakPolarHBondContact O-CB 3.17Å; A92-R96 PolarHBondContact O-N 3.03Å
93G98.4Very high97Very high22 Ų2257.5 Ų57.523%0.22729%0.293CS..Hα-helixtrans-61.3-46.5174.700000112.6D89 C90 L91 R96 E97D89-G93 PolarHBondContact O-N 2.99Å; C90-G93 PolarHBondContact O-N 3.47Å; L91-G93 VanDerWaalsContact C-N 3.32Å; L91-G93 PolarHBondContact O-N 2.96Å; G93-R96 PolarHBondContact O-N 3.36Å; G93-E97 PolarHBondContact O-N 3.03Å
94W98.6Very high97.1Very high32 Ų3262 Ų6212%0.12131%0.307CS..Hα-helixtrans-64.3-46.7175.8-59.2-21000111.4C90 L91 R96 E97 G98 L267 G270 F271 L399C90-W94 HydrophobicContact CB-CH2 4.49Å; C90-W94 HydrophobicContact CB-CZ2 4.07Å; C90-W94 PolarHBondContact O-N 3.1Å; L91-W94 HydrophobicContact CD2-CE3 3.81Å; L91-W94 HydrophobicContact CD2-CZ3 3.63Å; L91-W94 PolarHBondContact O-N 3.05Å; W94-R96 VanDerWaalsContact C-N 3.31Å; W94-R96 PolarHBondContact O-N 2.98Å; W94-E97 PolarHBondContact O-N 3Å; W94-E97 VanDerWaalsContact O-N 3.17Å; W94-G98 PolarHBondContact O-N 3.31Å; W94-L267 HydrophobicContact CB-CD1 3.99Å; W94-L267 HydrophobicContact CE3-CD1 4.26Å; W94-G270 VanDerWaalsContact O-CA 3.32Å; W94-G270 WeakPolarHBondContact O-CA 3.5Å; W94-F271 HydrophobicContact CB-CB 4.35Å; W94-F271 HydrophobicContact CD2-CB 3.95Å; W94-F271 AromaticContact CD2-CD2 3.86Å; W94-F271 HydrophobicContact CD2-CD2 3.86Å; W94-F271 HydrophobicContact CD2-CG 4.4Å; W94-F271 AromaticContact CE2-CD2 3.75Å; W94-F271 HydrophobicContact CE3-CB 4.02Å; W94-F271 AromaticContact CE3-CD2 3.89Å; W94-F271 HydrophobicContact CE3-CD2 3.89Å; W94-F271 HydrophobicContact CE3-CG 4.34Å; W94-F271 HydrophobicContact CG-CB 4.07Å; W94-F271 AromaticContact CH2-CD2 3.78Å; W94-F271 HydrophobicContact CH2-CD2 3.78Å; W94-F271 HydrophobicContact CH2-CE2 4.09Å; W94-F271 AromaticContact CZ2-CD2 3.73Å; W94-F271 HydrophobicContact CZ2-CD2 3.73Å; W94-F271 HydrophobicContact CZ2-CE2 4.14Å; W94-F271 AromaticContact CZ3-CD2 3.84Å; W94-F271 HydrophobicContact CZ3-CD2 3.84Å; W94-F271 HydrophobicContact CZ3-CE2 4.46Å; W94-L399 HydrophobicContact CZ3-CD1 4.3Å
95E98.4Very high97.3Very high61 Ų6158.4 Ų58.429%0.28530%0.298SS..Hα-helixtrans-58.3-45178.3-173.9-178.4-102.900111.5L91 A92 E97 G98 F99 R157 P266 L267L91-E95 PolarHBondContact O-N 2.92Å; A92-E95 PolarHBondContact O-N 3.38Å; E95-E97 VanDerWaalsContact C-N 3.34Å; E95-E97 PolarHBondContact O-N 2.98Å; E95-G98 PolarHBondContact O-N 2.97Å; E95-F99 HydrophobicContact CG-CD2 3.7Å; E95-F99 HydrophobicContact CG-CE2 3.54Å; E95-F99 VanDerWaalsContact O-CD2 3.3Å; E95-F99 WeakPolarHBondContact O-CD2 3.19Å; E95-F99 PolarHBondContact O-N 3.43Å; E95-R157 IonicContact OE2-CZ 3.42Å; E95-R157 IonicContact OE2-NH1 3.55Å; E95-R157 PolarHBondContact OE2-NH1 3.41Å; E95-R157 IonicContact OE2-NH2 3.64Å; E95-P266 HydrophobicContact CG-CB 4.32Å; E95-P266 HydrophobicContact CG-CG 4.17Å; E95-L267 HydrophobicContact CB-CD1 4.24Å
96R98.4Very high97.6Very high185 Ų18554.9 Ų54.970%0.69829%0.285SS*.Hα-helixtrans-60.5-42.7177-178.4175.660-159.4-5.8112.2A92 G93 W94 F99 L100A92-R96 WeakPolarHBondContact O-CB 3.17Å; A92-R96 PolarHBondContact O-N 3.03Å; G93-R96 PolarHBondContact O-N 3.36Å; W94-R96 VanDerWaalsContact C-N 3.31Å; W94-R96 PolarHBondContact O-N 2.98Å; R96-F99 PolarHBondContact O-N 2.8Å; R96-L100 WeakPolarHBondContact O-CB 3.29Å; R96-L100 PolarHBondContact O-N 3.18Å
97E98.7Very high97.9Very high52 Ų5253.5 Ų53.524%0.24328%0.275CS..Hα-helixtrans-63.5-42.5176.4-176.755.8-148.800111.3G93 W94 E95 L100 Q101 V273G93-E97 PolarHBondContact O-N 3.03Å; W94-E97 PolarHBondContact O-N 3Å; W94-E97 VanDerWaalsContact O-N 3.17Å; E95-E97 VanDerWaalsContact C-N 3.34Å; E95-E97 PolarHBondContact O-N 2.98Å; E97-L100 WeakPolarHBondContact O-CB 3.3Å; E97-L100 PolarHBondContact O-N 3Å; E97-Q101 WeakPolarHBondContact O-CG 3.43Å; E97-Q101 PolarHBondContact O-N 3.23Å; E97-Q101 PolarHBondContact OE1-NE2 2.85Å; E97-V273 HydrophobicContact CG-CB 4.16Å; E97-V273 HydrophobicContact CG-CG1 3.85Å; E97-V273 WeakPolarHBondContact OE1-CG1 3.24Å
98G98.6Very high98.1Very high0 Ų049.5 Ų49.50%025%0.254CS..Hα-helixtrans-61.1-46.9175.600000113.1W94 E95 L100 Q101 I102 P266W94-G98 PolarHBondContact O-N 3.31Å; E95-G98 PolarHBondContact O-N 2.97Å; G98-L100 VanDerWaalsContact C-N 3.26Å; G98-L100 PolarHBondContact O-N 3.04Å; G98-Q101 PolarHBondContact O-N 2.79Å; G98-Q101 VanDerWaalsContact O-N 3.16Å; G98-I102 VanDerWaalsContact O-CG1 3.31Å; G98-I102 WeakPolarHBondContact O-CG1 3.25Å; G98-I102 PolarHBondContact O-N 2.9Å; G98-P266 VanDerWaalsContact CA-O 3.24Å; G98-P266 WeakPolarHBondContact CA-O 3.25Å
99F98.6Very high98.2Very high6 Ų645.1 Ų45.13%0.02623%0.226CC..Hα-helixtrans-60-37.4174.7-84.8-66.9000112.3E95 R96 Q101 I102 S103 I150 L153 A154 R157 L158 P266E95-F99 HydrophobicContact CG-CD2 3.7Å; E95-F99 HydrophobicContact CG-CE2 3.54Å; E95-F99 VanDerWaalsContact O-CD2 3.3Å; E95-F99 WeakPolarHBondContact O-CD2 3.19Å; E95-F99 PolarHBondContact O-N 3.43Å; R96-F99 PolarHBondContact O-N 2.8Å; F99-Q101 PolarHBondContact O-N 3.35Å; F99-I102 PolarHBondContact O-N 2.91Å; F99-S103 WeakPolarHBondContact O-CB 3.37Å; F99-S103 PolarHBondContact O-N 3.22Å; F99-S103 PolarHBondContact O-OG 2.78Å; F99-I150 HydrophobicContact CD1-CD1 4.4Å; F99-I150 HydrophobicContact CE1-CD1 3.46Å; F99-I150 VanDerWaalsContact CE1-CD1 3.46Å; F99-I150 HydrophobicContact CE1-CG1 4.41Å; F99-I150 HydrophobicContact CZ-CD1 3.75Å; F99-L153 HydrophobicContact CE1-CB 3.81Å; F99-L153 HydrophobicContact CZ-CB 4.3Å; F99-A154 HydrophobicContact CD1-CB 4.07Å; F99-R157 VanDerWaalsContact CE2-CZ 3.4Å; F99-L158 HydrophobicContact CB-CD1 4.3Å; F99-L158 WeakPolarHBondContact O-CD1 3.4Å; F99-P266 HydrophobicContact CD2-CB 3.85Å; F99-P266 HydrophobicContact CD2-CG 4.07Å; F99-P266 HydrophobicContact CE1-CG 4.35Å; F99-P266 HydrophobicContact CE2-CB 3.92Å; F99-P266 HydrophobicContact CE2-CG 3.59Å; F99-P266 HydrophobicContact CG-CB 4.14Å; F99-P266 HydrophobicContact CZ-CB 4.32Å; F99-P266 HydrophobicContact CZ-CG 3.76Å
100L98.5Very high98.4Very high47 Ų4738.9 Ų38.925%0.24619%0.192CC..Hα-helixtrans-59.2-47.5174.5-179.362.1000111.2R96 E97 G98 S103 R104 L158R96-L100 WeakPolarHBondContact O-CB 3.29Å; R96-L100 PolarHBondContact O-N 3.18Å; E97-L100 WeakPolarHBondContact O-CB 3.3Å; E97-L100 PolarHBondContact O-N 3Å; G98-L100 VanDerWaalsContact C-N 3.26Å; G98-L100 PolarHBondContact O-N 3.04Å; L100-S103 PolarHBondContact O-N 2.9Å; L100-S103 PolarHBondContact O-OG 3.28Å; L100-R104 WeakPolarHBondContact O-CG 3.3Å; L100-R104 PolarHBondContact O-N 3.21Å; L100-L158 HydrophobicContact CB-CD1 4.44Å; L100-L158 HydrophobicContact CD1-CD1 4.41Å
101Q98.7Very high98.5Very high9 Ų936.1 Ų36.14%0.04217%0.173CC..Hα-helixtrans-67.4-38.3179.5-59.6-54.6-25.700112.7E97 G98 F99 R104 S105 R106 V107 F250 V269 V273E97-Q101 WeakPolarHBondContact O-CG 3.43Å; E97-Q101 PolarHBondContact O-N 3.23Å; E97-Q101 PolarHBondContact OE1-NE2 2.85Å; G98-Q101 PolarHBondContact O-N 2.79Å; G98-Q101 VanDerWaalsContact O-N 3.16Å; F99-Q101 PolarHBondContact O-N 3.35Å; Q101-R104 PolarHBondContact O-N 3.31Å; Q101-S105 PolarHBondContact O-N 3.12Å; Q101-R106 PolarHBondContact O-N 3.37Å; Q101-R106 VanDerWaalsContact O-N 3.1Å; Q101-V107 HydrophobicContact CB-CG2 3.85Å; Q101-F250 HydrophobicContact CB-CD2 4.13Å; Q101-F250 HydrophobicContact CB-CE2 4.12Å; Q101-F250 HydrophobicContact CG-CD2 4.22Å; Q101-F250 HydrophobicContact CG-CE2 3.76Å; Q101-V269 HydrophobicContact CB-CG1 4.38Å; Q101-V273 HydrophobicContact CG-CG2 4.34Å
102I98.6Very high98.5Very high1 Ų135 Ų351%0.00517%0.167CC..Hα-helixtrans-63-47.1174.4-65.7167.8000110.4G98 F99 R104 S105 V107 I150 A154 C162 V164 A264 P266G98-I102 VanDerWaalsContact O-CG1 3.31Å; G98-I102 WeakPolarHBondContact O-CG1 3.25Å; G98-I102 PolarHBondContact O-N 2.9Å; F99-I102 PolarHBondContact O-N 2.91Å; I102-R104 PolarHBondContact O-N 2.82Å; I102-R104 VanDerWaalsContact O-N 3.15Å; I102-S105 WeakPolarHBondContact O-CA 3.36Å; I102-S105 PolarHBondContact O-N 2.99Å; I102-V107 HydrophobicContact CG1-CB 4.01Å; I102-V107 HydrophobicContact CG1-CG1 4.35Å; I102-V107 HydrophobicContact CG1-CG2 3.8Å; I102-I150 HydrophobicContact CD1-CD1 4.35Å; I102-I150 HydrophobicContact CD1-CG1 3.78Å; I102-A154 HydrophobicContact CB-CB 4.35Å; I102-A154 HydrophobicContact CG2-CB 3.72Å; I102-C162 VanDerWaalsContact O-CB 3.27Å; I102-C162 WeakPolarHBondContact O-CB 3.43Å; I102-V164 HydrophobicContact CG2-CG2 3.85Å; I102-A264 WeakPolarHBondContact CD1-O 3.39Å; I102-P266 HydrophobicContact CD1-CB 4.05Å
103S98.3Very high98.5Very high12 Ų1232.4 Ų32.48%0.08415%0.146CC..Hα-helixtrans-60.8-27.218073.50000113.3F99 L100 S105 L158 C162F99-S103 WeakPolarHBondContact O-CB 3.37Å; F99-S103 PolarHBondContact O-N 3.22Å; F99-S103 PolarHBondContact O-OG 2.78Å; L100-S103 PolarHBondContact O-N 2.9Å; L100-S103 PolarHBondContact O-OG 3.28Å; S103-S105 VanDerWaalsContact C-N 3.26Å; S103-S105 PolarHBondContact O-N 3.19Å; S103-L158 VanDerWaalsContact OG-CD1 3.29Å; S103-L158 WeakPolarHBondContact OG-CD1 3.08Å; S103-C162 WeakPolarHBondContact O-CB 3.47Å
104R98.1Very high98Very high128 Ų12831.7 Ų31.748%0.48314%0.139SC..THydrogen-bonded Turntrans-84.64.6175.6-69.2174.6175.4177.5-0.3113.4L100 Q101 I102 R106L100-R104 WeakPolarHBondContact O-CG 3.3Å; L100-R104 PolarHBondContact O-N 3.21Å; Q101-R104 PolarHBondContact O-N 3.31Å; I102-R104 PolarHBondContact O-N 2.82Å; I102-R104 VanDerWaalsContact O-N 3.15Å; R104-R106 HydrophobicContact CB-CG 4.01Å; R104-R106 PolarHBondContact O-N 3.15Å
105S98.5Very high97.1Very high33 Ų3332.4 Ų32.423%0.23116%0.156CC..THydrogen-bonded Turntrans55.831.5-175.8-51.40000113.5Q101 I102 S103 C162 T163Q101-S105 PolarHBondContact O-N 3.12Å; I102-S105 WeakPolarHBondContact O-CA 3.36Å; I102-S105 PolarHBondContact O-N 2.99Å; S103-S105 VanDerWaalsContact C-N 3.26Å; S103-S105 PolarHBondContact O-N 3.19Å; S105-C162 WeakPolarHBondContact OG-CA 3.37Å; S105-T163 PolarHBondContact OG-N 2.58Å
106R98.8Very high96Very high79 Ų7933.2 Ų33.230%0.29816%0.16SC..  trans-91-5.3179.9-71.6174.9173.1-151.81.3113.6Q101 R104 E249 F250Q101-R106 PolarHBondContact O-N 3.37Å; Q101-R106 VanDerWaalsContact O-N 3.1Å; R104-R106 HydrophobicContact CB-CG 4.01Å; R104-R106 PolarHBondContact O-N 3.15Å; R106-E249 HydrophobicContact CB-CB 4.29Å; R106-E249 HydrophobicContact CB-CG 4.48Å; R106-E249 WeakPolarHBondContact CD-OE2 3.36Å; R106-E249 HydrophobicContact CG-CG 4.3Å; R106-E249 IonicContact CZ-OE1 3.54Å; R106-E249 IonicContact CZ-OE2 2.72Å; R106-E249 IonicContact NE-OE1 2.83Å; R106-E249 PolarHBondContact NE-OE1 3.47Å; R106-E249 IonicContact NE-OE2 2.9Å; R106-E249 VanDerWaalsContact NH1-CD 3.34Å; R106-E249 IonicContact NH1-OE1 3.19Å; R106-E249 PolarHBondContact NH1-OE1 3.09Å; R106-E249 VanDerWaalsContact NH1-OE1 3.12Å; R106-E249 IonicContact NH1-OE2 3.14Å; R106-E249 PolarHBondContact NH1-OE2 2.87Å; R106-E249 IonicContact NH2-OE1 3.49Å; R106-E249 PolarHBondContact O-N 3.29Å; R106-F250 HydrophobicContact CB-CD2 4.27Å; R106-F250 HydrophobicContact CB-CE2 4.41Å; R106-F250 PolarHBondContact O-N 3.12Å
107V98.9Very high95Very high1 Ų124.4 Ų24.41%0.00613%0.126CC..EExtended strand (participates in β ladder)trans-110.7129.8-175.7-177.70000109.8Q101 I102 F250 A264 V269Q101-V107 HydrophobicContact CB-CG2 3.85Å; I102-V107 HydrophobicContact CG1-CB 4.01Å; I102-V107 HydrophobicContact CG1-CG1 4.35Å; I102-V107 HydrophobicContact CG1-CG2 3.8Å; V107-F250 WeakPolarHBondContact CA-O 3.24Å; V107-F250 HydrophobicContact CG2-CB 4.4Å; V107-F250 HydrophobicContact CG2-CD2 4.3Å; V107-A264 HydrophobicContact CG1-CB 4.27Å; V107-V269 HydrophobicContact CG1-CG2 4.16Å; V107-V269 HydrophobicContact CG2-CG1 3.9Å
108A98.9Very high94.1Very high0 Ų026.2 Ų26.20%014%0.141CC..EExtended strand (participates in β ladder)trans-119.9161.5167.600000110.8P165 Y167 V248 F250 V251 H252A108-P165 HydrophobicContact CB-CB 4.25Å; A108-P165 HydrophobicContact CB-CG 4.44Å; A108-Y167 HydrophobicContact CB-CD2 3.92Å; A108-Y167 HydrophobicContact CB-CE2 3.62Å; A108-V248 HydrophobicContact CB-CB 4.48Å; A108-V248 HydrophobicContact CB-CG1 3.63Å; A108-V248 HydrophobicContact CB-CG2 3.97Å; A108-F250 PolarHBondContact N-O 3.06Å; A108-V251 WeakPolarHBondContact O-CA 3.47Å; A108-H252 PolarHBondContact O-N 3.5Å
109V98.8Very high93.3Very high0 Ų034.5 Ų34.50%017%0.173CC..EExtended strand (participates in β ladder)trans-112.4137.6169.6-69.80000109.8I147 V164 P165 W166 Y167 H252 Y254 M263 A264V109-I147 HydrophobicContact CG2-CD1 3.76Å; V109-I147 HydrophobicContact CG2-CG1 4.29Å; V109-V164 HydrophobicContact CG1-CG1 4.2Å; V109-V164 HydrophobicContact CG2-CG1 4.18Å; V109-P165 PolarHBondContact N-O 3.43Å; V109-W166 HydrophobicContact CG2-CB 4.09Å; V109-W166 HydrophobicContact CG2-CG 3.92Å; V109-Y167 PolarHBondContact O-N 3.16Å; V109-H252 CarbonylContact C-O 3.57Å; V109-H252 VanDerWaalsContact CA-O 3.31Å; V109-H252 WeakPolarHBondContact CA-O 3.31Å; V109-H252 HydrophobicContact CG1-CB 4.16Å; V109-Y254 HydrophobicContact CB-CE1 4.27Å; V109-M263 HydrophobicContact CB-CE 4.23Å; V109-M263 HydrophobicContact CG1-CE 4.26Å; V109-M263 HydrophobicContact CG2-CE 4.01Å; V109-A264 HydrophobicContact CG1-CB 3.75Å
110L98.9Very high92.6Very high0 Ų034.8 Ų34.80%017%0.174CC..EExtended strand (participates in β ladder)trans-119.9115.8176.1-165.8153.5000109.9L112 Y167 F198 L230 L234 M243 V251 H252 I253 Y254L110-L112 HydrophobicContact CD2-CD2 3.87Å; L110-Y167 CarbonylContact C-O 3.53Å; L110-Y167 WeakPolarHBondContact CA-O 3.46Å; L110-F198 HydrophobicContact CD1-CZ 4.22Å; L110-L230 HydrophobicContact CD1-CD1 3.79Å; L110-L230 HydrophobicContact CD2-CD1 3.56Å; L110-L230 HydrophobicContact CD2-CD2 4.25Å; L110-L230 HydrophobicContact CG-CD1 4.33Å; L110-L234 HydrophobicContact CD1-CD2 3.86Å; L110-M243 HydrophobicContact CD1-CE 4.02Å; L110-V251 HydrophobicContact CB-CG1 3.71Å; L110-V251 HydrophobicContact CD1-CG1 4.44Å; L110-H252 PolarHBondContact N-O 2.97Å; L110-I253 HydrophobicContact CB-CD1 4.23Å; L110-I253 HydrophobicContact CB-CG1 4.06Å; L110-I253 HydrophobicContact CD1-CD1 4.26Å; L110-I253 HydrophobicContact CD2-CD1 4.31Å; L110-I253 HydrophobicContact CD2-CG2 4.16Å; L110-I253 HydrophobicContact CG-CD1 4.49Å; L110-I253 CarbonylContact O-C 3.56Å; L110-I253 VanDerWaalsContact O-CA 3.29Å; L110-I253 WeakPolarHBondContact O-CA 3.32Å; L110-Y254 WeakPolarHBondContact O-CD1 3.38Å; L110-Y254 PolarHBondContact O-N 3.05Å
111L98.8Very high92Very high0 Ų035.9 Ų35.90%020%0.197CC..EExtended strand (participates in β ladder)trans-95.8127.5-178.2171.459.7000111.5A113 Y140 W166 Y167 I168 M169 Y254 V256L111-A113 HydrophobicContact CD1-CB 4.48Å; L111-A113 HydrophobicContact CD2-CB 3.95Å; L111-A113 HydrophobicContact CG-CB 3.86Å; L111-A113 PolarHBondContact O-N 2.76Å; L111-Y140 HydrophobicContact CD2-CD1 4.19Å; L111-Y140 HydrophobicContact CD2-CE1 3.62Å; L111-W166 HydrophobicContact CD2-CZ2 3.81Å; L111-Y167 PolarHBondContact N-O 3.22Å; L111-I168 HydrophobicContact CB-CG1 4.33Å; L111-I168 HydrophobicContact CD2-CG1 4.3Å; L111-I168 HydrophobicContact CD2-CG2 4Å; L111-I168 HydrophobicContact CG-CG2 4.35Å; L111-M169 WeakPolarHBondContact O-CB 3.44Å; L111-M169 PolarHBondContact O-N 3.38Å; L111-Y254 HydrophobicContact CB-CE1 3.74Å; L111-Y254 HydrophobicContact CD1-CD2 4.07Å; L111-Y254 HydrophobicContact CD1-CE1 4.1Å; L111-Y254 HydrophobicContact CD1-CE2 3.47Å; L111-Y254 VanDerWaalsContact CD1-CE2 3.47Å; L111-Y254 VanDerWaalsContact CD1-CZ 3.46Å; L111-Y254 HydrophobicContact CG-CE1 4.47Å; L111-Y254 HydrophobicContact CG-CE2 4.49Å; L111-V256 VanDerWaalsContact CD1-CA 3.43Å; L111-V256 HydrophobicContact CD1-CB 3.67Å; L111-V256 HydrophobicContact CD1-CG2 4.07Å; L111-V256 HydrophobicContact CD2-CG2 4.24Å
112L98.2Very high91.5Very high10 Ų1036.7 Ų36.75%0.05220%0.203CC..EExtended strand (participates in β ladder)trans-88.493.5170-51.7170.1000109.4L110 M169 N227 L230 I253 Y254 V256 V386L110-L112 HydrophobicContact CD2-CD2 3.87Å; L112-M169 HydrophobicContact CD2-CE 3.57Å; L112-M169 HydrophobicContact CD2-SD 4.38Å; L112-N227 HydrophobicContact CD1-CB 4.17Å; L112-L230 HydrophobicContact CD2-CD1 4.45Å; L112-L230 HydrophobicContact CD2-CD2 4.25Å; L112-I253 HydrophobicContact CD1-CG2 3.94Å; L112-I253 HydrophobicContact CD2-CG2 4.12Å; L112-I253 HydrophobicContact CG-CG2 3.98Å; L112-Y254 PolarHBondContact N-O 2.84Å; L112-V256 PolarHBondContact O-N 3.39Å; L112-V386 HydrophobicContact CD1-CB 4.33Å; L112-V386 HydrophobicContact CD1-CG1 4.01Å; L112-V386 HydrophobicContact CD1-CG2 4.2Å
113A96.1Very high91Very high2 Ų247.6 Ų47.62%0.01724%0.244CC..  trans-120.826-176.100000113.6L111 G115 I168 M169 T174 V256L111-A113 HydrophobicContact CD1-CB 4.48Å; L111-A113 HydrophobicContact CD2-CB 3.95Å; L111-A113 HydrophobicContact CG-CB 3.86Å; L111-A113 PolarHBondContact O-N 2.76Å; A113-G115 VanDerWaalsContact C-N 3.32Å; A113-G115 PolarHBondContact O-N 3.23Å; A113-I168 HydrophobicContact CB-CG2 3.98Å; A113-M169 CarbonylContact C-O 3.37Å; A113-M169 VanDerWaalsContact CA-O 3.26Å; A113-M169 WeakPolarHBondContact CA-O 3.19Å; A113-M169 PolarHBondContact N-O 3.41Å; A113-T174 PolarHBondContact O-OG1 2.84Å; A113-T174 VanDerWaalsContact O-OG1 3.09Å; A113-V256 HydrophobicContact CB-CB 4.41Å; A113-V256 HydrophobicContact CB-CG2 4.44Å
114G88.1Confident90.7Very high7 Ų751.5 Ų51.57%0.07226%0.257CS..  trans-72-20.9-179.500000115.6M169 S171 Q200G114-M169 PolarHBondContact N-O 2.8Å; G114-M169 VanDerWaalsContact N-O 3.15Å; G114-S171 WeakPolarHBondContact O-CB 3.41Å; G114-S171 PolarHBondContact O-OG 3.18Å; G114-Q200 VanDerWaalsContact CA-NE2 3.31Å
115G80.4Confident90.5Very high47 Ų4745.5 Ų45.549%0.48524%0.235SC..SBendtrans-82.3141.3-177.900000114A113A113-G115 VanDerWaalsContact C-N 3.32Å; A113-G115 PolarHBondContact O-N 3.23Å
116Q76Confident90.3Very high78 Ų7845.2 Ų45.236%0.36423%0.229SC..BIsolated β-bridgetrans-80.2156.5168.7-65.7-178.7-56.900111.8T118 F173 T174Q116-T118 HydrophobicContact CB-CG2 3.95Å; Q116-T118 PolarHBondContact O-N 3.03Å; Q116-T118 VanDerWaalsContact O-N 3.11Å; Q116-F173 HydrophobicContact CG-CB 4.1Å; Q116-T174 HydrophobicContact CG-CG2 3.91Å
117G77.2Confident90.2Very high0 Ų041.5 Ų41.50%022%0.216CC..SBendtrans-7722.8175.900000115.3R119 L120 G121 V122 Y124G117-R119 VanDerWaalsContact C-N 3.32Å; G117-R119 PolarHBondContact O-N 2.79Å; G117-L120 WeakPolarHBondContact O-CA 3.39Å; G117-L120 VanDerWaalsContact O-CB 3.27Å; G117-L120 WeakPolarHBondContact O-CB 3.25Å; G117-L120 PolarHBondContact O-N 2.99Å; G117-G121 PolarHBondContact O-N 2.94Å; G117-V122 CarbonylContact C-O 3.56Å; G117-V122 VanDerWaalsContact C-O 3.24Å; G117-V122 WeakPolarHBondContact O-CG2 3.48Å; G117-V122 PolarHBondContact O-N 3.36Å; G117-Y124 PolarHBondContact N-O 2.86Å
118T79.6Confident90.2Very high91 Ų9143.3 Ų43.356%0.55823%0.225SC*.G310 helixtrans-61.5-35.4-169.652.10000113.7Q116 L120 G121 V122Q116-T118 HydrophobicContact CB-CG2 3.95Å; Q116-T118 PolarHBondContact O-N 3.03Å; Q116-T118 VanDerWaalsContact O-N 3.11Å; T118-L120 PolarHBondContact O-N 3.4Å; T118-G121 PolarHBondContact O-N 2.89Å; T118-V122 WeakPolarHBondContact CA-O 3.38Å; T118-V122 PolarHBondContact N-O 3.05Å
119R80.8Confident90.1Very high174 Ų17444.2 Ų44.266%0.65723%0.229SC*.G310 helixtrans-65.2-20.5173.3-171.8172.3173.4169.62.2113.2G117 G121 K411 N412G117-R119 VanDerWaalsContact C-N 3.32Å; G117-R119 PolarHBondContact O-N 2.79Å; R119-G121 VanDerWaalsContact C-N 3.34Å; R119-K411 WeakPolarHBondContact CD-O 3.28Å; R119-K411 VanDerWaalsContact CG-O 3.3Å; R119-K411 WeakPolarHBondContact CG-O 3.32Å; R119-K411 PolarHBondContact NE-O 3.1Å; R119-N412 PolarHBondContact NE-OD1 3.38Å; R119-N412 PolarHBondContact NH2-OD1 3.45Å
120L85.2Confident90Very high12 Ų1247.5 Ų47.56%0.06325%0.246CC..G310 helixtrans-89.71.3173.9-50178.3000112.5G117 T118 V122 K126 F129 L410 N412G117-L120 WeakPolarHBondContact O-CA 3.39Å; G117-L120 VanDerWaalsContact O-CB 3.27Å; G117-L120 WeakPolarHBondContact O-CB 3.25Å; G117-L120 PolarHBondContact O-N 2.99Å; T118-L120 PolarHBondContact O-N 3.4Å; L120-V122 HydrophobicContact CB-CG2 4.35Å; L120-K126 HydrophobicContact CD1-CD 4.22Å; L120-K126 HydrophobicContact CD1-CG 3.81Å; L120-F129 HydrophobicContact CB-CD2 4.25Å; L120-F129 HydrophobicContact CB-CE2 3.62Å; L120-F129 HydrophobicContact CB-CZ 4.29Å; L120-F129 HydrophobicContact CD1-CD2 3.46Å; L120-F129 VanDerWaalsContact CD1-CD2 3.46Å; L120-F129 HydrophobicContact CD1-CE2 3.6Å; L120-F129 HydrophobicContact CD1-CG 4.03Å; L120-F129 HydrophobicContact CD1-CZ 4.28Å; L120-F129 HydrophobicContact CG-CE2 4.24Å; L120-L410 HydrophobicContact CD1-CD1 4.33Å; L120-L410 HydrophobicContact CD1-CD2 3.7Å; L120-L410 HydrophobicContact CD1-CG 3.8Å; L120-L410 HydrophobicContact CD2-CD1 3.89Å; L120-L410 HydrophobicContact CD2-CG 4Å; L120-N412 VanDerWaalsContact CD2-C 3.4Å; L120-N412 WeakPolarHBondContact CD2-O 3.47Å
121G85.4Confident89.9Confident70 Ų7047.7 Ų47.772%0.72225%0.247SC*.THydrogen-bonded Turntrans81.49.7-178.300000114.8G117 T118 R119G117-G121 PolarHBondContact O-N 2.94Å; T118-G121 PolarHBondContact O-N 2.89Å; R119-G121 VanDerWaalsContact C-N 3.34Å
122V88.4Confident89.7Confident26 Ų2649.6 Ų49.616%0.15827%0.267CS..  trans-115.1154-179-57.30000111.8G117 T118 L120 Y124 F129G117-V122 CarbonylContact C-O 3.56Å; G117-V122 VanDerWaalsContact C-O 3.24Å; G117-V122 WeakPolarHBondContact O-CG2 3.48Å; G117-V122 PolarHBondContact O-N 3.36Å; T118-V122 WeakPolarHBondContact CA-O 3.38Å; T118-V122 PolarHBondContact N-O 3.05Å; L120-V122 HydrophobicContact CB-CG2 4.35Å; V122-Y124 HydrophobicContact CB-CD1 4.07Å; V122-Y124 HydrophobicContact CB-CD2 4.37Å; V122-Y124 HydrophobicContact CB-CE1 3.7Å; V122-Y124 HydrophobicContact CB-CE2 4.03Å; V122-Y124 HydrophobicContact CB-CG 4.4Å; V122-Y124 HydrophobicContact CG1-CE1 3.87Å; V122-Y124 HydrophobicContact CG1-CE2 4.37Å; V122-Y124 HydrophobicContact CG2-CD2 3.95Å; V122-Y124 HydrophobicContact CG2-CE1 4.27Å; V122-Y124 HydrophobicContact CG2-CE2 3.66Å; V122-Y124 HydrophobicContact CG2-CG 4.39Å; V122-F129 HydrophobicContact CG1-CD2 4.43Å; V122-F129 HydrophobicContact CG1-CE2 3.89Å; V122-F129 HydrophobicContact CG2-CD2 3.91Å; V122-F129 HydrophobicContact CG2-CE2 4Å
123R87.3Confident89.6Confident230 Ų23049.5 Ų49.587%0.86827%0.266SS*.SBendtrans-96.3-12.9-179.3-63.8-173.4-178.2-171.61114
124Y92.1Very high89.5Confident94 Ų9452 Ų5237%0.36928%0.282SS..SBendtrans-86.3162.4-179.853.5-107.8000112.1G117 V122 M128 F129G117-Y124 PolarHBondContact N-O 2.86Å; V122-Y124 HydrophobicContact CB-CD1 4.07Å; V122-Y124 HydrophobicContact CB-CD2 4.37Å; V122-Y124 HydrophobicContact CB-CE1 3.7Å; V122-Y124 HydrophobicContact CB-CE2 4.03Å; V122-Y124 HydrophobicContact CB-CG 4.4Å; V122-Y124 HydrophobicContact CG1-CE1 3.87Å; V122-Y124 HydrophobicContact CG1-CE2 4.37Å; V122-Y124 HydrophobicContact CG2-CD2 3.95Å; V122-Y124 HydrophobicContact CG2-CE1 4.27Å; V122-Y124 HydrophobicContact CG2-CE2 3.66Å; V122-Y124 HydrophobicContact CG2-CG 4.39Å; Y124-M128 HydrophobicContact CD2-CB 3.84Å; Y124-M128 HydrophobicContact CE2-CB 4.26Å; Y124-F129 HydrophobicContact CE2-CB 4.42Å; Y124-F129 HydrophobicContact CE2-CD2 4.05Å
125P94.6Very high89.8Confident2 Ų253.7 Ų53.71%0.01329%0.293CS..BIsolated β-bridgetrans-55.2140.2174.8-25.231.9000113.1G127 M128 T174 P177P125-G127 PolarHBondContact O-N 3.01Å; P125-G127 VanDerWaalsContact O-N 3.13Å; P125-M128 HydrophobicContact CB-SD 4.43Å; P125-M128 HydrophobicContact CG-SD 4.1Å; P125-M128 WeakPolarHBondContact O-CB 3.38Å; P125-M128 PolarHBondContact O-N 3Å; P125-T174 HydrophobicContact CB-CG2 4.12Å; P125-T174 HydrophobicContact CG-CG2 3.97Å; P125-P177 HydrophobicContact CG-CB 3.89Å
126K94.8Very high90.6Very high26 Ų2653.1 Ų53.111%0.11329%0.287CS..G310 helixtrans-60.1-30.1-174.3-165.7-171.7-91.7176.80113.8L120 M128 F129 V256 D257 L410L120-K126 HydrophobicContact CD1-CD 4.22Å; L120-K126 HydrophobicContact CD1-CG 3.81Å; K126-M128 PolarHBondContact O-N 2.98Å; K126-M128 VanDerWaalsContact O-N 3.15Å; K126-F129 WeakPolarHBondContact O-CB 3.39Å; K126-F129 PolarHBondContact O-N 3.49Å; K126-V256 HydrophobicContact CB-CG1 4.05Å; K126-V256 HydrophobicContact CD-CG1 4.13Å; K126-V256 HydrophobicContact CG-CG1 4.47Å; K126-D257 HydrophobicContact CD-CB 3.4Å; K126-D257 VanDerWaalsContact CD-CB 3.4Å; K126-D257 IonicContact NZ-OD2 3.49Å; K126-D257 PolarHBondContact NZ-OD2 3.49Å; K126-L410 WeakPolarHBondContact CE-O 3.27Å; K126-L410 HydrophobicContact CG-CD2 4.46Å; K126-L410 PolarHBondContact NZ-O 3.44Å
127G96.8Very high91.6Very high1 Ų150.4 Ų50.41%0.0127%0.274CS..G310 helixtrans-61.8-21.6177.100000114.3P125 F129 L139 Y140P125-G127 PolarHBondContact O-N 3.01Å; P125-G127 VanDerWaalsContact O-N 3.13Å; G127-F129 VanDerWaalsContact C-N 3.25Å; G127-F129 PolarHBondContact O-N 3.05Å; G127-L139 PolarHBondContact O-N 2.83Å; G127-Y140 VanDerWaalsContact O-CD2 3.27Å; G127-Y140 WeakPolarHBondContact O-CD2 3.25Å; G127-Y140 PolarHBondContact O-N 2.54Å
128M97.1Very high92.7Very high40 Ų4051.1 Ų51.120%0.19728%0.278CS..G310 helixtrans-82.2-0.8175.6-57176.455.700113Y124 P125 K126 D130 T138 Y140 F181Y124-M128 HydrophobicContact CD2-CB 3.84Å; Y124-M128 HydrophobicContact CE2-CB 4.26Å; P125-M128 HydrophobicContact CB-SD 4.43Å; P125-M128 HydrophobicContact CG-SD 4.1Å; P125-M128 WeakPolarHBondContact O-CB 3.38Å; P125-M128 PolarHBondContact O-N 3Å; K126-M128 PolarHBondContact O-N 2.98Å; K126-M128 VanDerWaalsContact O-N 3.15Å; M128-D130 PolarHBondContact O-N 3.32Å; M128-T138 VanDerWaalsContact O-CG2 3.28Å; M128-T138 WeakPolarHBondContact O-CG2 3.43Å; M128-Y140 HydrophobicContact CG-CD2 4.02Å; M128-Y140 HydrophobicContact CG-CE2 3.9Å; M128-F181 HydrophobicContact CB-CD1 4.49Å; M128-F181 HydrophobicContact CB-CE1 4.35Å; M128-F181 HydrophobicContact CB-CZ 4.45Å; M128-F181 HydrophobicContact CE-CB 3.82Å; M128-F181 HydrophobicContact CE-CD1 4.47Å; M128-F181 HydrophobicContact CE-CD2 3.42Å; M128-F181 VanDerWaalsContact CE-CD2 3.42Å; M128-F181 HydrophobicContact CE-CE2 4.04Å; M128-F181 HydrophobicContact CE-CG 3.66Å; M128-F181 HydrophobicContact CG-CB 4.23Å; M128-F181 HydrophobicContact CG-CD1 3.67Å; M128-F181 HydrophobicContact CG-CD2 4.27Å; M128-F181 HydrophobicContact CG-CE1 3.99Å; M128-F181 HydrophobicContact CG-CG 3.8Å; M128-F181 HydrophobicContact CG-CZ 4.44Å; M128-F181 HydrophobicContact SD-CB 3.88Å; M128-F181 HydrophobicContact SD-CD1 4.43Å; M128-F181 HydrophobicContact SD-CD2 4.35Å; M128-F181 HydrophobicContact SD-CG 3.98Å
129F97.3Very high93.6Very high19 Ų1946.9 Ų46.98%0.08325%0.252CS..  trans-72.4129-175.8-155.6-79.8000110.9L120 V122 Y124 K126 G127 V131 T138 L139 L410 P421L120-F129 HydrophobicContact CB-CD2 4.25Å; L120-F129 HydrophobicContact CB-CE2 3.62Å; L120-F129 HydrophobicContact CB-CZ 4.29Å; L120-F129 HydrophobicContact CD1-CD2 3.46Å; L120-F129 VanDerWaalsContact CD1-CD2 3.46Å; L120-F129 HydrophobicContact CD1-CE2 3.6Å; L120-F129 HydrophobicContact CD1-CG 4.03Å; L120-F129 HydrophobicContact CD1-CZ 4.28Å; L120-F129 HydrophobicContact CG-CE2 4.24Å; V122-F129 HydrophobicContact CG1-CD2 4.43Å; V122-F129 HydrophobicContact CG1-CE2 3.89Å; V122-F129 HydrophobicContact CG2-CD2 3.91Å; V122-F129 HydrophobicContact CG2-CE2 4Å; Y124-F129 HydrophobicContact CE2-CB 4.42Å; Y124-F129 HydrophobicContact CE2-CD2 4.05Å; K126-F129 WeakPolarHBondContact O-CB 3.39Å; K126-F129 PolarHBondContact O-N 3.49Å; G127-F129 VanDerWaalsContact C-N 3.25Å; G127-F129 PolarHBondContact O-N 3.05Å; F129-V131 HydrophobicContact CD1-CG1 4Å; F129-V131 HydrophobicContact CE1-CG1 4.43Å; F129-T138 WeakPolarHBondContact O-CA 3.29Å; F129-L139 PolarHBondContact O-N 2.85Å; F129-L410 HydrophobicContact CB-CD2 4.1Å; F129-L410 HydrophobicContact CD1-CD2 3.66Å; F129-L410 HydrophobicContact CE1-CD2 4.24Å; F129-L410 HydrophobicContact CG-CD2 3.85Å; F129-P421 HydrophobicContact CE1-CB 3.97Å; F129-P421 HydrophobicContact CE1-CG 3.58Å; F129-P421 HydrophobicContact CZ-CG 3.76Å
130D96.9Very high94.4Very high69 Ų6938.6 Ų38.637%0.36922%0.221SC..BIsolated β-bridgetrans-95.6119.9167.3175.211.5000108.6M128 G132M128-D130 PolarHBondContact O-N 3.32Å; D130-G132 PolarHBondContact O-N 3.18Å; D130-G132 WeakPolarHBondContact OD1-CA 3.43Å; D130-G132 PolarHBondContact OD1-N 2.92Å
131V96.1Very high95.1Very high4 Ų440.3 Ų40.32%0.02423%0.229CC..  trans-85.54.5179.5-59.50000112.9F129 L133 I259 L410 P421 A424 R425F129-V131 HydrophobicContact CD1-CG1 4Å; F129-V131 HydrophobicContact CE1-CG1 4.43Å; V131-L133 HydrophobicContact CG2-CD1 4.36Å; V131-L133 HydrophobicContact CG2-CD2 4.46Å; V131-L133 HydrophobicContact CG2-CG 3.87Å; V131-I259 HydrophobicContact CG2-CD1 3.58Å; V131-L410 HydrophobicContact CG1-CD2 3.99Å; V131-P421 HydrophobicContact CB-CB 4.3Å; V131-P421 HydrophobicContact CG1-CB 4.44Å; V131-A424 HydrophobicContact CG1-CB 4.36Å; V131-R425 HydrophobicContact CB-CB 4.3Å; V131-R425 HydrophobicContact CG2-CB 3.93Å; V131-R425 WeakPolarHBondContact O-CD 3.44Å; V131-R425 PolarHBondContact O-NH1 3.1Å
132G95.3Very high95.7Very high40 Ų4037.2 Ų37.241%0.41220%0.196SC..  trans8436.3-178.200000113D130 R425D130-G132 PolarHBondContact O-N 3.18Å; D130-G132 WeakPolarHBondContact OD1-CA 3.43Å; D130-G132 PolarHBondContact OD1-N 2.92Å; G132-R425 WeakPolarHBondContact O-CD 3.41Å
133L95.4Very high96.2Very high8 Ų836.1 Ų36.14%0.04219%0.189CC..  trans-65.1152172.1-72.3171.4000110.5V131 S135 G136 I142 I259 R425 L428 L429V131-L133 HydrophobicContact CG2-CD1 4.36Å; V131-L133 HydrophobicContact CG2-CD2 4.46Å; V131-L133 HydrophobicContact CG2-CG 3.87Å; L133-S135 PolarHBondContact O-N 3.07Å; L133-S135 VanDerWaalsContact O-N 3.11Å; L133-G136 PolarHBondContact O-N 3.26Å; L133-I142 HydrophobicContact CD1-CD1 3.56Å; L133-I259 HydrophobicContact CD1-CD1 4.36Å; L133-R425 HydrophobicContact CD2-CG 4.03Å; L133-L428 HydrophobicContact CD1-CD2 3.66Å; L133-L428 HydrophobicContact CD2-CD2 3.79Å; L133-L428 HydrophobicContact CG-CD2 4.39Å; L133-L429 HydrophobicContact CD2-CD2 3.97Å; L133-L429 HydrophobicContact CD2-CG 4.14Å
134P93.9Very high96.7Very high53 Ų5325.1 Ų25.134%0.34415%0.147SC..THydrogen-bonded Turntrans-49.7-34.6173.8-29.135.5000114.4L429 E468 I493P134-L429 HydrophobicContact CG-CD2 4.2Å; P134-E468 WeakPolarHBondContact CB-OE2 3.45Å; P134-E468 VanDerWaalsContact CD-OE2 3.23Å; P134-E468 WeakPolarHBondContact CD-OE2 3.18Å; P134-E468 HydrophobicContact CG-CB 4.31Å; P134-I493 HydrophobicContact CB-CD1 3.54Å; P134-I493 HydrophobicContact CB-CG1 3.73Å
135S95.7Very high97.1Very high43 Ų4321.3 Ų21.330%0.30113%0.133SC..THydrogen-bonded Turntrans-78.7-14.8176.665.10000115.6L133 K137 E468L133-S135 PolarHBondContact O-N 3.07Å; L133-S135 VanDerWaalsContact O-N 3.11Å; S135-K137 PolarHBondContact O-N 3.08Å; S135-K137 WeakPolarHBondContact OG-CB 3.27Å; S135-K137 WeakPolarHBondContact OG-CD 3.37Å; S135-K137 WeakPolarHBondContact OG-CG 3.43Å; S135-K137 PolarHBondContact OG-N 3.05Å; S135-E468 WeakPolarHBondContact CB-OE1 3.47Å; S135-E468 VanDerWaalsContact CB-OE2 3.28Å; S135-E468 WeakPolarHBondContact CB-OE2 3.47Å; S135-E468 PolarHBondContact N-OE2 2.86Å; S135-E468 PolarHBondContact OG-OE1 2.93Å; S135-E468 PolarHBondContact OG-OE2 2.96Å; S135-E468 VanDerWaalsContact OG-OE2 3.09Å
136G96.4Very high97.3Very high35 Ų3521.3 Ų21.336%0.36113%0.133SC..  trans67.213.2-170.400000114.7L133L133-G136 PolarHBondContact O-N 3.26Å
137K98.4Very high97.5Very high22 Ų2220.1 Ų20.110%0.09613%0.127CC..  trans-66.3137.9-179-72.4176.7-179.2177.30111.9S135 Q141 I142 E145 S470S135-K137 PolarHBondContact O-N 3.08Å; S135-K137 WeakPolarHBondContact OG-CB 3.27Å; S135-K137 WeakPolarHBondContact OG-CD 3.37Å; S135-K137 WeakPolarHBondContact OG-CG 3.43Å; S135-K137 PolarHBondContact OG-N 3.05Å; K137-Q141 HydrophobicContact CB-CB 4.46Å; K137-Q141 HydrophobicContact CB-CG 4.48Å; K137-Q141 HydrophobicContact CD-CG 4.37Å; K137-Q141 HydrophobicContact CG-CG 4.15Å; K137-I142 HydrophobicContact CB-CD1 4.49Å; K137-I142 HydrophobicContact CB-CG1 4.02Å; K137-E145 VanDerWaalsContact CE-OE1 3.23Å; K137-E145 WeakPolarHBondContact CE-OE1 3.3Å; K137-E145 WeakPolarHBondContact CE-OE2 3.24Å; K137-E145 IonicContact NZ-OE1 3.8Å; K137-E145 PolarHBondContact NZ-OE1 2.73Å; K137-E145 IonicContact NZ-OE2 3.36Å; K137-E145 PolarHBondContact NZ-OE2 2.94Å; K137-S470 PolarHBondContact NZ-OG 3.27Å
138T98.6Very high97.5Very high14 Ų1421.4 Ų21.49%0.08613%0.134CC..BIsolated β-bridgetrans-81.3165.517264.90000112.1M128 F129 Y140 Q141 I142 F181M128-T138 VanDerWaalsContact O-CG2 3.28Å; M128-T138 WeakPolarHBondContact O-CG2 3.43Å; F129-T138 WeakPolarHBondContact O-CA 3.29Å; T138-Y140 VanDerWaalsContact C-N 3.29Å; T138-Y140 PolarHBondContact O-N 3.45Å; T138-Q141 PolarHBondContact O-N 2.84Å; T138-Q141 VanDerWaalsContact O-N 3.15Å; T138-Q141 PolarHBondContact OG1-N 2.78Å; T138-I142 WeakPolarHBondContact O-CG1 3.19Å; T138-I142 PolarHBondContact O-N 3.33Å; T138-I142 VanDerWaalsContact O-N 3.07Å; T138-F181 HydrophobicContact CG2-CE1 4.43Å; T138-F181 HydrophobicContact CG2-CZ 3.77Å
139L98.5Very high97.6Very high2 Ų220.9 Ų20.91%0.0113%0.13CC..Hα-helixtrans-56-42.2174.6-60.4-179000112.4G127 F129 Q141 I142 Q143 I259 L410G127-L139 PolarHBondContact O-N 2.83Å; F129-L139 PolarHBondContact O-N 2.85Å; L139-Q141 VanDerWaalsContact C-N 3.35Å; L139-Q141 PolarHBondContact O-N 2.68Å; L139-I142 PolarHBondContact O-N 2.7Å; L139-Q143 WeakPolarHBondContact O-CB 3.3Å; L139-Q143 WeakPolarHBondContact O-CG 3.35Å; L139-Q143 PolarHBondContact O-N 3.13Å; L139-I259 HydrophobicContact CD2-CB 4Å; L139-I259 HydrophobicContact CD2-CD1 4.23Å; L139-I259 HydrophobicContact CD2-CG1 3.86Å; L139-L410 HydrophobicContact CD1-CD2 4.12Å
140Y98.6Very high97.7Very high0 Ų020 Ų200%013%0.126CC..Hα-helixtrans-60.6-43.1176.7-78.6-43.7000112.2L111 G127 M128 T138 Q143 A144 W166 T178 F181 F182 V256L111-Y140 HydrophobicContact CD2-CD1 4.19Å; L111-Y140 HydrophobicContact CD2-CE1 3.62Å; G127-Y140 VanDerWaalsContact O-CD2 3.27Å; G127-Y140 WeakPolarHBondContact O-CD2 3.25Å; G127-Y140 PolarHBondContact O-N 2.54Å; M128-Y140 HydrophobicContact CG-CD2 4.02Å; M128-Y140 HydrophobicContact CG-CE2 3.9Å; T138-Y140 VanDerWaalsContact C-N 3.29Å; T138-Y140 PolarHBondContact O-N 3.45Å; Y140-Q143 PolarHBondContact O-N 3.25Å; Y140-A144 WeakPolarHBondContact O-CB 3.38Å; Y140-A144 PolarHBondContact O-N 2.86Å; Y140-W166 HydrophobicContact CD1-CH2 4.13Å; Y140-W166 HydrophobicContact CD1-CZ2 4.33Å; Y140-T178 HydrophobicContact CE2-CG2 3.89Å; Y140-T178 WeakPolarHBondContact OH-CG2 3.42Å; Y140-T178 PolarHBondContact OH-OG1 3.15Å; Y140-F181 AromaticContact CD2-CD1 3.88Å; Y140-F181 HydrophobicContact CD2-CD1 3.88Å; Y140-F181 HydrophobicContact CD2-CE1 4.01Å; Y140-F182 AromaticContact CD1-CE2 3.79Å; Y140-F182 HydrophobicContact CD1-CE2 3.79Å; Y140-F182 AromaticContact CD1-CZ 3.88Å; Y140-F182 HydrophobicContact CD1-CZ 3.88Å; Y140-F182 AromaticContact CD2-CE2 3.74Å; Y140-F182 HydrophobicContact CD2-CE2 3.74Å; Y140-F182 HydrophobicContact CE1-CE2 4.03Å; Y140-F182 HydrophobicContact CE1-CZ 4.34Å; Y140-F182 AromaticContact CE2-CE2 3.98Å; Y140-F182 HydrophobicContact CE2-CE2 3.98Å; Y140-F182 AromaticContact CG-CE2 3.65Å; Y140-F182 HydrophobicContact CG-CE2 3.65Å; Y140-F182 HydrophobicContact CG-CZ 4.01Å; Y140-V256 HydrophobicContact CE1-CG2 4.2Å
141Q98.8Very high97.7Very high48 Ų4818 Ų1822%0.22412%0.115CC..Hα-helixtrans-65.8-44.7-180-176.6171.2-2.700111.7K137 T138 L139 Q143 A144 E145 F188K137-Q141 HydrophobicContact CB-CB 4.46Å; K137-Q141 HydrophobicContact CB-CG 4.48Å; K137-Q141 HydrophobicContact CD-CG 4.37Å; K137-Q141 HydrophobicContact CG-CG 4.15Å; T138-Q141 PolarHBondContact O-N 2.84Å; T138-Q141 VanDerWaalsContact O-N 3.15Å; T138-Q141 PolarHBondContact OG1-N 2.78Å; L139-Q141 VanDerWaalsContact C-N 3.35Å; L139-Q141 PolarHBondContact O-N 2.68Å; Q141-Q143 VanDerWaalsContact C-N 3.3Å; Q141-Q143 PolarHBondContact O-N 2.89Å; Q141-A144 PolarHBondContact O-N 2.83Å; Q141-E145 HydrophobicContact CG-CG 4.36Å; Q141-E145 WeakPolarHBondContact CG-OE1 3.38Å; Q141-E145 PolarHBondContact NE2-OE1 2.75Å; Q141-E145 WeakPolarHBondContact O-CB 3.47Å; Q141-E145 WeakPolarHBondContact O-CG 3.49Å; Q141-E145 PolarHBondContact O-N 3.33Å; Q141-F188 HydrophobicContact CB-CD1 3.71Å; Q141-F188 HydrophobicContact CB-CE1 3.79Å; Q141-F188 HydrophobicContact CB-CG 4.37Å; Q141-F188 HydrophobicContact CG-CD1 3.68Å; Q141-F188 HydrophobicContact CG-CE1 4.19Å; Q141-F188 HydrophobicContact CG-CG 4.37Å
142I98.8Very high97.8Very high6 Ų622.3 Ų22.33%0.03114%0.135CC..Hα-helixtrans-58.8-44.8177-63.6165.3000110.5L133 K137 T138 L139 R146 I259 L428 P471L133-I142 HydrophobicContact CD1-CD1 3.56Å; K137-I142 HydrophobicContact CB-CD1 4.49Å; K137-I142 HydrophobicContact CB-CG1 4.02Å; T138-I142 WeakPolarHBondContact O-CG1 3.19Å; T138-I142 PolarHBondContact O-N 3.33Å; T138-I142 VanDerWaalsContact O-N 3.07Å; L139-I142 PolarHBondContact O-N 2.7Å; I142-R146 WeakPolarHBondContact O-CG 3.31Å; I142-R146 PolarHBondContact O-N 2.68Å; I142-I259 HydrophobicContact CD1-CD1 4.3Å; I142-I259 HydrophobicContact CD1-CG1 4.08Å; I142-L428 HydrophobicContact CD1-CD2 4.3Å; I142-P471 HydrophobicContact CG2-CG 4.19Å
143Q98.8Very high98Very high2 Ų221.3 Ų21.31%0.00912%0.12CC..Hα-helixtrans-64.9-43.5178.7-69.5167.924.300111.8L139 Y140 Q141 R146 I147 W166 Y254 V256 V261 M263L139-Q143 WeakPolarHBondContact O-CB 3.3Å; L139-Q143 WeakPolarHBondContact O-CG 3.35Å; L139-Q143 PolarHBondContact O-N 3.13Å; Y140-Q143 PolarHBondContact O-N 3.25Å; Q141-Q143 VanDerWaalsContact C-N 3.3Å; Q141-Q143 PolarHBondContact O-N 2.89Å; Q143-R146 PolarHBondContact O-N 3.48Å; Q143-I147 WeakPolarHBondContact O-CG1 3.49Å; Q143-I147 PolarHBondContact O-N 2.86Å; Q143-W166 HydrophobicContact CB-CH2 3.98Å; Q143-W166 HydrophobicContact CB-CZ2 3.97Å; Q143-Y254 HydrophobicContact CG-CE2 4.38Å; Q143-Y254 PolarHBondContact OE1-OH 2.77Å; Q143-V256 PolarHBondContact NE2-O 2.88Å; Q143-V256 VanDerWaalsContact NE2-O 3.1Å; Q143-V261 HydrophobicContact CG-CG1 3.93Å; Q143-M263 HydrophobicContact CB-CE 4.19Å; Q143-M263 HydrophobicContact CB-CG 4.27Å; Q143-M263 HydrophobicContact CB-SD 4.07Å; Q143-M263 HydrophobicContact CG-CG 4.43Å; Q143-M263 HydrophobicContact CG-SD 3.97Å
144A98.8Very high98.1Very high0 Ų021 Ų210%012%0.118CC..Hα-helixtrans-62.5-44.7177.700000112.3Y140 Q141 R146 I147 L148 W166 F188 L190Y140-A144 WeakPolarHBondContact O-CB 3.38Å; Y140-A144 PolarHBondContact O-N 2.86Å; Q141-A144 PolarHBondContact O-N 2.83Å; A144-R146 VanDerWaalsContact C-N 3.32Å; A144-R146 PolarHBondContact O-N 3.25Å; A144-I147 WeakPolarHBondContact O-CB 3.31Å; A144-I147 PolarHBondContact O-N 3.21Å; A144-I147 VanDerWaalsContact O-N 3.16Å; A144-L148 PolarHBondContact O-N 3.39Å; A144-W166 HydrophobicContact CB-CH2 4.33Å; A144-W166 HydrophobicContact CB-CZ3 3.8Å; A144-F188 HydrophobicContact CB-CB 3.57Å; A144-F188 HydrophobicContact CB-CD2 3.95Å; A144-F188 HydrophobicContact CB-CG 4.02Å; A144-L190 HydrophobicContact CB-CD1 3.83Å
145E98.8Very high98.2Very high13 Ų1322.4 Ų22.46%0.06112%0.12CC..Hα-helixtrans-65.9-34.6178-71.3178.5-172.700111.9K137 Q141 L148 K149 S470 P471 L472K137-E145 VanDerWaalsContact CE-OE1 3.23Å; K137-E145 WeakPolarHBondContact CE-OE1 3.3Å; K137-E145 WeakPolarHBondContact CE-OE2 3.24Å; K137-E145 IonicContact NZ-OE1 3.8Å; K137-E145 PolarHBondContact NZ-OE1 2.73Å; K137-E145 IonicContact NZ-OE2 3.36Å; K137-E145 PolarHBondContact NZ-OE2 2.94Å; Q141-E145 HydrophobicContact CG-CG 4.36Å; Q141-E145 WeakPolarHBondContact CG-OE1 3.38Å; Q141-E145 PolarHBondContact NE2-OE1 2.75Å; Q141-E145 WeakPolarHBondContact O-CB 3.47Å; Q141-E145 WeakPolarHBondContact O-CG 3.49Å; Q141-E145 PolarHBondContact O-N 3.33Å; E145-L148 PolarHBondContact O-N 3.23Å; E145-K149 WeakPolarHBondContact O-CB 3.43Å; E145-K149 PolarHBondContact O-N 3Å; E145-S470 PolarHBondContact OE2-OG 3.28Å; E145-P471 HydrophobicContact CB-CB 3.82Å; E145-P471 HydrophobicContact CB-CG 4.1Å; E145-P471 WeakPolarHBondContact OE2-CD 3.28Å; E145-L472 HydrophobicContact CB-CD2 4.03Å; E145-L472 HydrophobicContact CB-CG 4.04Å; E145-L472 HydrophobicContact CG-CD1 4.25Å; E145-L472 HydrophobicContact CG-CD2 4.28Å; E145-L472 HydrophobicContact CG-CG 4.04Å
146R98.9Very high98.2Very high3 Ų324.8 Ų24.81%0.01114%0.137CC..Hα-helixtrans-65-38.1171.5-73.9178.1175.5145.17.6112.3I142 Q143 A144 K149 I150 I259 V261 M263 P471 Y475I142-R146 WeakPolarHBondContact O-CG 3.31Å; I142-R146 PolarHBondContact O-N 2.68Å; Q143-R146 PolarHBondContact O-N 3.48Å; A144-R146 VanDerWaalsContact C-N 3.32Å; A144-R146 PolarHBondContact O-N 3.25Å; R146-K149 PolarHBondContact O-N 3.3Å; R146-I150 WeakPolarHBondContact O-CG2 3.39Å; R146-I150 PolarHBondContact O-N 3.35Å; R146-I259 PolarHBondContact NH1-O 2.82Å; R146-I259 PolarHBondContact NH2-O 2.71Å; R146-I259 VanDerWaalsContact NH2-O 3.12Å; R146-V261 VanDerWaalsContact CD-O 3.31Å; R146-V261 WeakPolarHBondContact CD-O 3.4Å; R146-V261 PolarHBondContact NH1-O 3.39Å; R146-M263 HydrophobicContact CB-CB 3.72Å; R146-M263 HydrophobicContact CB-CG 3.68Å; R146-M263 HydrophobicContact CG-CG 4.47Å; R146-P471 HydrophobicContact CB-CB 4.46Å; R146-P471 HydrophobicContact CG-CB 3.66Å; R146-P471 HydrophobicContact CG-CG 3.98Å; R146-Y475 HydrophobicContact CB-CD2 4.17Å; R146-Y475 HydrophobicContact CB-CE2 4.08Å; R146-Y475 HydrophobicContact CG-CD2 4.37Å
147I98.8Very high98.1Very high0 Ų028.6 Ų28.60%014%0.14CC..Hα-helixtrans-64-44.7173-64.9167.6000110.5V109 Q143 A144 K149 I150 Q151 V164 W166 L190 M263V109-I147 HydrophobicContact CG2-CD1 3.76Å; V109-I147 HydrophobicContact CG2-CG1 4.29Å; Q143-I147 WeakPolarHBondContact O-CG1 3.49Å; Q143-I147 PolarHBondContact O-N 2.86Å; A144-I147 WeakPolarHBondContact O-CB 3.31Å; A144-I147 PolarHBondContact O-N 3.21Å; A144-I147 VanDerWaalsContact O-N 3.16Å; I147-K149 VanDerWaalsContact C-N 3.34Å; I147-K149 PolarHBondContact O-N 3.04Å; I147-I150 VanDerWaalsContact O-CG2 3.29Å; I147-I150 WeakPolarHBondContact O-CG2 3.45Å; I147-I150 PolarHBondContact O-N 3.03Å; I147-Q151 WeakPolarHBondContact O-CG 3.35Å; I147-Q151 PolarHBondContact O-N 3.21Å; I147-V164 HydrophobicContact CG2-CB 4.12Å; I147-V164 HydrophobicContact CG2-CG1 4.42Å; I147-W166 HydrophobicContact CD1-CB 4.08Å; I147-W166 HydrophobicContact CD1-CD2 3.58Å; I147-W166 HydrophobicContact CD1-CE3 3.75Å; I147-W166 HydrophobicContact CD1-CG 3.77Å; I147-W166 HydrophobicContact CD1-CZ3 4.34Å; I147-L190 HydrophobicContact CB-CD2 4.3Å; I147-L190 HydrophobicContact CD1-CD1 4.4Å; I147-L190 HydrophobicContact CG2-CD2 3.79Å; I147-M263 HydrophobicContact CD1-CE 3.7Å; I147-M263 HydrophobicContact CG1-CB 4.22Å; I147-M263 HydrophobicContact CG1-CE 3.79Å
148L98.6Very high98Very high28 Ų2831.1 Ų31.115%0.14716%0.155CC..Hα-helixtrans-59.1-47.6175.9-76.4172.4000111.3A144 E145 Q151 Q152 F188 L190 L472A144-L148 PolarHBondContact O-N 3.39Å; E145-L148 PolarHBondContact O-N 3.23Å; L148-Q151 PolarHBondContact O-N 3.47Å; L148-Q152 WeakPolarHBondContact O-CG 3.31Å; L148-Q152 PolarHBondContact O-N 3.44Å; L148-Q152 VanDerWaalsContact O-N 3.07Å; L148-F188 VanDerWaalsContact CD1-O 3.22Å; L148-F188 WeakPolarHBondContact CD1-O 3.29Å; L148-L190 HydrophobicContact CD2-CD2 3.62Å; L148-L190 HydrophobicContact CD2-CG 4.22Å; L148-L190 HydrophobicContact CG-CD2 3.74Å; L148-L190 HydrophobicContact CG-CG 4.11Å; L148-L472 HydrophobicContact CB-CD2 3.82Å; L148-L472 HydrophobicContact CD1-CD2 4.24Å
149K98.6Very high97.6Very high29 Ų2933.7 Ų33.713%0.12618%0.184CC..Hα-helixtrans-63.5-43.7-179-175.563.7163.5-168.50112.3E145 R146 I147 Q151 Q152 L153 P471 L472 V473E145-K149 WeakPolarHBondContact O-CB 3.43Å; E145-K149 PolarHBondContact O-N 3Å; R146-K149 PolarHBondContact O-N 3.3Å; I147-K149 VanDerWaalsContact C-N 3.34Å; I147-K149 PolarHBondContact O-N 3.04Å; K149-Q151 VanDerWaalsContact C-N 3.3Å; K149-Q151 PolarHBondContact O-N 3.43Å; K149-Q152 WeakPolarHBondContact O-CB 3.44Å; K149-Q152 PolarHBondContact O-N 2.94Å; K149-Q152 VanDerWaalsContact O-N 3.14Å; K149-L153 HydrophobicContact CD-CG 4.27Å; K149-L153 HydrophobicContact CG-CD1 4.03Å; K149-L153 HydrophobicContact CG-CG 4.22Å; K149-L153 WeakPolarHBondContact O-CG 3.21Å; K149-L153 PolarHBondContact O-N 3.24Å; K149-P471 VanDerWaalsContact CB-O 3.23Å; K149-P471 WeakPolarHBondContact CB-O 3.2Å; K149-P471 WeakPolarHBondContact CG-O 3.47Å; K149-L472 WeakPolarHBondContact CD-O 3.43Å; K149-L472 WeakPolarHBondContact CE-O 3.24Å; K149-L472 PolarHBondContact NZ-O 3.26Å; K149-V473 WeakPolarHBondContact CE-O 3.2Å; K149-V473 PolarHBondContact NZ-O 3.47Å
150I98.3Very high97.2Very high0 Ų036.5 Ų36.50%020%0.204CC..Hα-helixtrans-65.9-34.3-179.1-164.566.5000112F99 I102 R146 I147 L153 A154 V164 A264 P266 Y475F99-I150 HydrophobicContact CD1-CD1 4.4Å; F99-I150 HydrophobicContact CE1-CD1 3.46Å; F99-I150 VanDerWaalsContact CE1-CD1 3.46Å; F99-I150 HydrophobicContact CE1-CG1 4.41Å; F99-I150 HydrophobicContact CZ-CD1 3.75Å; I102-I150 HydrophobicContact CD1-CD1 4.35Å; I102-I150 HydrophobicContact CD1-CG1 3.78Å; R146-I150 WeakPolarHBondContact O-CG2 3.39Å; R146-I150 PolarHBondContact O-N 3.35Å; I147-I150 VanDerWaalsContact O-CG2 3.29Å; I147-I150 WeakPolarHBondContact O-CG2 3.45Å; I147-I150 PolarHBondContact O-N 3.03Å; I150-L153 HydrophobicContact CD1-CD1 4.38Å; I150-L153 PolarHBondContact O-N 3.43Å; I150-A154 WeakPolarHBondContact O-CB 3.34Å; I150-A154 PolarHBondContact O-N 3.08Å; I150-V164 HydrophobicContact CG2-CG2 4.46Å; I150-A264 HydrophobicContact CG2-CB 4.28Å; I150-P266 HydrophobicContact CD1-CG 4.04Å; I150-Y475 HydrophobicContact CB-CD2 4.28Å; I150-Y475 HydrophobicContact CB-CE2 3.99Å; I150-Y475 HydrophobicContact CD1-CD1 4.19Å; I150-Y475 HydrophobicContact CD1-CE1 3.89Å; I150-Y475 HydrophobicContact CD1-CE2 4.3Å; I150-Y475 HydrophobicContact CG1-CE2 4.48Å
151Q98.4Very high97Very high28 Ų2844.7 Ų44.713%0.13124%0.24CC..Hα-helixtrans-63.2-44.6171.4-67.4174149.900111.4I147 L148 K149 A154 E155 V164I147-Q151 WeakPolarHBondContact O-CG 3.35Å; I147-Q151 PolarHBondContact O-N 3.21Å; L148-Q151 PolarHBondContact O-N 3.47Å; K149-Q151 VanDerWaalsContact C-N 3.3Å; K149-Q151 PolarHBondContact O-N 3.43Å; Q151-A154 PolarHBondContact O-N 2.88Å; Q151-E155 WeakPolarHBondContact O-CB 3.32Å; Q151-E155 PolarHBondContact O-N 3.09Å; Q151-V164 HydrophobicContact CG-CB 4.38Å; Q151-V164 HydrophobicContact CG-CG2 4.05Å
152Q97.9Very high96.9Very high94 Ų9442.7 Ų42.744%0.43923%0.231SC..Hα-helixtrans-62.9-40.9176.7-69.5169.1-4.800112.2L148 K149 E155 S156L148-Q152 WeakPolarHBondContact O-CG 3.31Å; L148-Q152 PolarHBondContact O-N 3.44Å; L148-Q152 VanDerWaalsContact O-N 3.07Å; K149-Q152 WeakPolarHBondContact O-CB 3.44Å; K149-Q152 PolarHBondContact O-N 2.94Å; K149-Q152 VanDerWaalsContact O-N 3.14Å; Q152-E155 PolarHBondContact O-N 3.49Å; Q152-S156 WeakPolarHBondContact O-CB 3.4Å; Q152-S156 PolarHBondContact O-N 2.97Å; Q152-S156 PolarHBondContact O-OG 3.48Å
153L98.1Very high96.8Very high20 Ų2044.3 Ų44.311%0.10524%0.241CC..Hα-helixtrans-66.8-41.6176.9-71.1173.3000111.8F99 K149 I150 S156 R157 Y475 E478F99-L153 HydrophobicContact CE1-CB 3.81Å; F99-L153 HydrophobicContact CZ-CB 4.3Å; K149-L153 HydrophobicContact CD-CG 4.27Å; K149-L153 HydrophobicContact CG-CD1 4.03Å; K149-L153 HydrophobicContact CG-CG 4.22Å; K149-L153 WeakPolarHBondContact O-CG 3.21Å; K149-L153 PolarHBondContact O-N 3.24Å; I150-L153 HydrophobicContact CD1-CD1 4.38Å; I150-L153 PolarHBondContact O-N 3.43Å; L153-S156 PolarHBondContact O-OG 2.81Å; L153-S156 VanDerWaalsContact O-OG 3.07Å; L153-R157 VanDerWaalsContact O-CB 3.31Å; L153-R157 WeakPolarHBondContact O-CB 3.38Å; L153-R157 WeakPolarHBondContact O-CG 3.27Å; L153-R157 PolarHBondContact O-N 2.82Å; L153-Y475 HydrophobicContact CD1-CD1 4.39Å; L153-Y475 HydrophobicContact CD1-CG 4.18Å; L153-E478 WeakPolarHBondContact CD1-OE1 3.43Å; L153-E478 HydrophobicContact CD2-CG 4.38Å
154A97.5Very high96.8Very high0 Ų044.4 Ų44.40%024%0.241CC..Hα-helixtrans-65.5-42175.900000111.5F99 I102 I150 Q151 R157 L158F99-A154 HydrophobicContact CD1-CB 4.07Å; I102-A154 HydrophobicContact CB-CB 4.35Å; I102-A154 HydrophobicContact CG2-CB 3.72Å; I150-A154 WeakPolarHBondContact O-CB 3.34Å; I150-A154 PolarHBondContact O-N 3.08Å; Q151-A154 PolarHBondContact O-N 2.88Å; A154-R157 PolarHBondContact O-N 2.95Å; A154-L158 WeakPolarHBondContact O-CB 3.49Å; A154-L158 PolarHBondContact O-N 3.04Å
155E96.9Very high96.8Very high84 Ų8444.6 Ų44.639%0.39324%0.243SC..Hα-helixtrans-63.4-44176-178.3170.1-16300111.8Q151 Q152 G159 S160Q151-E155 WeakPolarHBondContact O-CB 3.32Å; Q151-E155 PolarHBondContact O-N 3.09Å; Q152-E155 PolarHBondContact O-N 3.49Å; E155-G159 WeakPolarHBondContact O-CA 3.34Å; E155-G159 PolarHBondContact O-N 2.82Å; E155-S160 WeakPolarHBondContact CA-O 3.38Å
156S95.8Very high96.8Very high93 Ų9344 Ų4465%0.6524%0.24SC*.Hα-helixtrans-68.9-36.3178.969.50000113.1Q152 L153Q152-S156 WeakPolarHBondContact O-CB 3.4Å; Q152-S156 PolarHBondContact O-N 2.97Å; Q152-S156 PolarHBondContact O-OG 3.48Å; L153-S156 PolarHBondContact O-OG 2.81Å; L153-S156 VanDerWaalsContact O-OG 3.07Å
157R94.7Very high96.8Very high114 Ų11443.9 Ų43.943%0.4324%0.239SC..Hα-helixtrans-76.7-35.9-179.7-71.1-179.7-173.9-153.36.5113.2E95 F99 L153 A154E95-R157 IonicContact OE2-CZ 3.42Å; E95-R157 IonicContact OE2-NH1 3.55Å; E95-R157 PolarHBondContact OE2-NH1 3.41Å; E95-R157 IonicContact OE2-NH2 3.64Å; F99-R157 VanDerWaalsContact CE2-CZ 3.4Å; L153-R157 VanDerWaalsContact O-CB 3.31Å; L153-R157 WeakPolarHBondContact O-CB 3.38Å; L153-R157 WeakPolarHBondContact O-CG 3.27Å; L153-R157 PolarHBondContact O-N 2.82Å; A154-R157 PolarHBondContact O-N 2.95Å
158L95.3Very high96.8Very high76 Ų7643.9 Ų43.940%0.39824%0.239SC..Hα-helixtrans-122.11.9-169.7-63.7175.3000114.2F99 L100 S103 A154 S160F99-L158 HydrophobicContact CB-CD1 4.3Å; F99-L158 WeakPolarHBondContact O-CD1 3.4Å; L100-L158 HydrophobicContact CB-CD1 4.44Å; L100-L158 HydrophobicContact CD1-CD1 4.41Å; S103-L158 VanDerWaalsContact OG-CD1 3.29Å; S103-L158 WeakPolarHBondContact OG-CD1 3.08Å; A154-L158 WeakPolarHBondContact O-CB 3.49Å; A154-L158 PolarHBondContact O-N 3.04Å; L158-S160 PolarHBondContact O-N 2.84Å
159G91Very high96.8Very high68 Ų6842.6 Ų42.670%0.70123%0.233SC*.SBendtrans71.710.7170.200000115.4E155E155-G159 WeakPolarHBondContact O-CA 3.34Å; E155-G159 PolarHBondContact O-N 2.82Å
160S90.1Very high96.8Very high61 Ų6141.2 Ų41.243%0.42723%0.227SC..  trans-122124.2-177.7-61.10000110.6E155 L158 C162E155-S160 WeakPolarHBondContact CA-O 3.38Å; L158-S160 PolarHBondContact O-N 2.84Å; S160-C162 PolarHBondContact O-N 3.24Å
161K94.4Very high96.5Very high172 Ų17241.2 Ų41.275%0.74823%0.227SC*.  trans-60.1128.8169.5-173.2174.7-177175.90108.9
162C96.8Very high96.1Very high6 Ų644.7 Ų44.74%0.04124%0.243CC..  trans-128.7170-176.9650000111.6I102 S103 S105 S160I102-C162 VanDerWaalsContact O-CB 3.27Å; I102-C162 WeakPolarHBondContact O-CB 3.43Å; S103-C162 WeakPolarHBondContact O-CB 3.47Å; S105-C162 WeakPolarHBondContact OG-CA 3.37Å; S160-C162 PolarHBondContact O-N 3.24Å
163T97.3Very high95.6Very high40 Ų4043.4 Ų43.425%0.24524%0.236CC..  trans-134.7137176.3-66.50000109.6S105 P165 N194S105-T163 PolarHBondContact OG-N 2.58Å; T163-P165 HydrophobicContact CG2-CG 4.26Å; T163-N194 HydrophobicContact CG2-CB 4.14Å; T163-N194 VanDerWaalsContact CG2-CG 3.47Å; T163-N194 WeakPolarHBondContact CG2-ND2 3.26Å
164V98.6Very high95.3Very high3 Ų342.4 Ų42.42%0.01823%0.231CC..  trans-112.998.4167.9178.60000107.2I102 V109 I147 I150 Q151 A264I102-V164 HydrophobicContact CG2-CG2 3.85Å; V109-V164 HydrophobicContact CG1-CG1 4.2Å; V109-V164 HydrophobicContact CG2-CG1 4.18Å; I147-V164 HydrophobicContact CG2-CB 4.12Å; I147-V164 HydrophobicContact CG2-CG1 4.42Å; I150-V164 HydrophobicContact CG2-CG2 4.46Å; Q151-V164 HydrophobicContact CG-CB 4.38Å; Q151-V164 HydrophobicContact CG-CG2 4.05Å; V164-A264 HydrophobicContact CG1-CB 3.98Å
165P98.8Very high95.3Very high4 Ų443.7 Ų43.73%0.02624%0.237CC..  trans-60.7141.1177-22.333.9000111.3A108 V109 T163 Y167 V248A108-P165 HydrophobicContact CB-CB 4.25Å; A108-P165 HydrophobicContact CB-CG 4.44Å; V109-P165 PolarHBondContact N-O 3.43Å; T163-P165 HydrophobicContact CG2-CG 4.26Å; P165-Y167 HydrophobicContact CB-CD2 4.46Å; P165-Y167 HydrophobicContact CB-CE2 3.8Å; P165-V248 HydrophobicContact CG-CG2 4.1Å
166W98.9Very high95.3Very high1 Ų146 Ų460%0.00425%0.246CC..EExtended strand (participates in β ladder)trans-111104177.1-165.48.9000110.5V109 L111 Y140 Q143 A144 I147 I168 F182 L190 N194 I195 V196 Y254V109-W166 HydrophobicContact CG2-CB 4.09Å; V109-W166 HydrophobicContact CG2-CG 3.92Å; L111-W166 HydrophobicContact CD2-CZ2 3.81Å; Y140-W166 HydrophobicContact CD1-CH2 4.13Å; Y140-W166 HydrophobicContact CD1-CZ2 4.33Å; Q143-W166 HydrophobicContact CB-CH2 3.98Å; Q143-W166 HydrophobicContact CB-CZ2 3.97Å; A144-W166 HydrophobicContact CB-CH2 4.33Å; A144-W166 HydrophobicContact CB-CZ3 3.8Å; I147-W166 HydrophobicContact CD1-CB 4.08Å; I147-W166 HydrophobicContact CD1-CD2 3.58Å; I147-W166 HydrophobicContact CD1-CE3 3.75Å; I147-W166 HydrophobicContact CD1-CG 3.77Å; I147-W166 HydrophobicContact CD1-CZ3 4.34Å; W166-I168 HydrophobicContact CD2-CD1 3.85Å; W166-I168 HydrophobicContact CD2-CG1 4.04Å; W166-I168 HydrophobicContact CE3-CD1 4.12Å; W166-I168 HydrophobicContact CG-CD1 4.27Å; W166-I168 HydrophobicContact CG-CG1 4.01Å; W166-I168 HydrophobicContact CZ2-CD1 4.25Å; W166-I168 HydrophobicContact CZ3-CD1 4.44Å; W166-F182 AromaticContact CE3-CE1 4Å; W166-F182 HydrophobicContact CE3-CE1 4Å; W166-F182 HydrophobicContact CE3-CZ 4.28Å; W166-F182 HydrophobicContact CH2-CE1 4.14Å; W166-F182 AromaticContact CH2-CZ 3.71Å; W166-F182 HydrophobicContact CH2-CZ 3.71Å; W166-F182 AromaticContact CZ3-CE1 3.48Å; W166-F182 HydrophobicContact CZ3-CE1 3.48Å; W166-F182 VanDerWaalsContact CZ3-CE1 3.48Å; W166-F182 AromaticContact CZ3-CZ 3.55Å; W166-F182 HydrophobicContact CZ3-CZ 3.55Å; W166-L190 HydrophobicContact CE3-CD1 3.74Å; W166-L190 HydrophobicContact CZ3-CD1 4.05Å; W166-N194 PolarHBondContact N-O 3.41Å; W166-I195 HydrophobicContact CE3-CG1 4.46Å; W166-I195 WeakPolarHBondContact O-CA 3.3Å; W166-V196 PolarHBondContact O-N 3.31Å; W166-Y254 VanDerWaalsContact CZ2-OH 3.32Å; W166-Y254 WeakPolarHBondContact CZ2-OH 3.21Å; W166-Y254 PolarHBondContact NE1-OH 2.96Å; W166-Y254 VanDerWaalsContact NE1-OH 3.08Å
167Y98.9Very high95.3Very high0 Ų044 Ų440%023%0.231CC..EExtended strand (participates in β ladder)trans-87.3126.3172.5-62-82.5000108.7A108 V109 L110 L111 P165 V196 V239 D242 M243A108-Y167 HydrophobicContact CB-CD2 3.92Å; A108-Y167 HydrophobicContact CB-CE2 3.62Å; V109-Y167 PolarHBondContact O-N 3.16Å; L110-Y167 CarbonylContact C-O 3.53Å; L110-Y167 WeakPolarHBondContact CA-O 3.46Å; L111-Y167 PolarHBondContact N-O 3.22Å; P165-Y167 HydrophobicContact CB-CD2 4.46Å; P165-Y167 HydrophobicContact CB-CE2 3.8Å; Y167-V196 CarbonylContact C-O 3.43Å; Y167-V196 VanDerWaalsContact CA-O 3.32Å; Y167-V196 WeakPolarHBondContact CA-O 3.28Å; Y167-V196 HydrophobicContact CD1-CB 3.63Å; Y167-V196 HydrophobicContact CD1-CG1 3.94Å; Y167-V196 HydrophobicContact CD1-CG2 4.22Å; Y167-V196 HydrophobicContact CE1-CB 3.87Å; Y167-V196 HydrophobicContact CE1-CG1 4.12Å; Y167-V196 HydrophobicContact CE1-CG2 3.95Å; Y167-V239 HydrophobicContact CD1-CG1 3.53Å; Y167-V239 HydrophobicContact CE1-CG1 3.78Å; Y167-V239 HydrophobicContact CG-CG1 4.21Å; Y167-D242 WeakPolarHBondContact CE1-OD2 3.36Å; Y167-D242 VanDerWaalsContact CZ-OD2 3.24Å; Y167-D242 PolarHBondContact OH-OD2 3.14Å; Y167-M243 HydrophobicContact CD1-CE 4.43Å; Y167-M243 HydrophobicContact CD2-CE 3.63Å; Y167-M243 HydrophobicContact CE1-CG 4.28Å; Y167-M243 HydrophobicContact CE2-CE 3.71Å; Y167-M243 HydrophobicContact CE2-CG 3.69Å; Y167-M243 HydrophobicContact CG-CE 4Å; Y167-M243 WeakPolarHBondContact OH-CG 3.23Å; Y167-M243 PolarHBondContact OH-N 3.14Å
168I98.8Very high95.5Very high0 Ų038.6 Ų38.60%021%0.211CC..EExtended strand (participates in β ladder)trans-121.8106.4-177.7-55.8176.2000108.3L111 A113 W166 T170 F182 I195 V196 M197 F198L111-I168 HydrophobicContact CB-CG1 4.33Å; L111-I168 HydrophobicContact CD2-CG1 4.3Å; L111-I168 HydrophobicContact CD2-CG2 4Å; L111-I168 HydrophobicContact CG-CG2 4.35Å; A113-I168 HydrophobicContact CB-CG2 3.98Å; W166-I168 HydrophobicContact CD2-CD1 3.85Å; W166-I168 HydrophobicContact CD2-CG1 4.04Å; W166-I168 HydrophobicContact CE3-CD1 4.12Å; W166-I168 HydrophobicContact CG-CD1 4.27Å; W166-I168 HydrophobicContact CG-CG1 4.01Å; W166-I168 HydrophobicContact CZ2-CD1 4.25Å; W166-I168 HydrophobicContact CZ3-CD1 4.44Å; I168-T170 HydrophobicContact CG2-CG2 3.99Å; I168-T170 PolarHBondContact O-N 3.21Å; I168-F182 HydrophobicContact CD1-CE1 4.08Å; I168-F182 HydrophobicContact CD1-CE2 4.25Å; I168-F182 HydrophobicContact CD1-CZ 3.64Å; I168-I195 HydrophobicContact CD1-CG2 3.85Å; I168-V196 PolarHBondContact N-O 3.41Å; I168-M197 HydrophobicContact CB-CG 4.19Å; I168-M197 HydrophobicContact CD1-CE 4.21Å; I168-M197 HydrophobicContact CD1-CG 4.47Å; I168-M197 WeakPolarHBondContact O-CA 3.49Å; I168-F198 PolarHBondContact O-N 3.26Å
169M98.6Very high95.6Very high2 Ų238 Ų381%0.0121%0.206CC..EExtended strand (participates in β ladder)trans-79.9115.2174-169.9-179.97600109.7L111 L112 A113 G114 F198 Q200 L230 A233L111-M169 WeakPolarHBondContact O-CB 3.44Å; L111-M169 PolarHBondContact O-N 3.38Å; L112-M169 HydrophobicContact CD2-CE 3.57Å; L112-M169 HydrophobicContact CD2-SD 4.38Å; A113-M169 CarbonylContact C-O 3.37Å; A113-M169 VanDerWaalsContact CA-O 3.26Å; A113-M169 WeakPolarHBondContact CA-O 3.19Å; A113-M169 PolarHBondContact N-O 3.41Å; G114-M169 PolarHBondContact N-O 2.8Å; G114-M169 VanDerWaalsContact N-O 3.15Å; M169-F198 CarbonylContact C-O 3.59Å; M169-F198 WeakPolarHBondContact CA-O 3.35Å; M169-F198 HydrophobicContact CB-CE1 3.99Å; M169-F198 HydrophobicContact CB-CE2 3.91Å; M169-F198 HydrophobicContact CB-CZ 3.56Å; M169-F198 HydrophobicContact CG-CD2 4.31Å; M169-F198 HydrophobicContact CG-CE2 3.72Å; M169-F198 HydrophobicContact CG-CZ 3.92Å; M169-F198 HydrophobicContact SD-CE2 4.25Å; M169-Q200 HydrophobicContact CE-CB 4.43Å; M169-Q200 VanDerWaalsContact CE-OE1 3.25Å; M169-Q200 HydrophobicContact CG-CB 4.05Å; M169-Q200 HydrophobicContact SD-CB 3.93Å; M169-L230 HydrophobicContact CE-CB 4.36Å; M169-L230 WeakPolarHBondContact SD-CA 3.4Å; M169-L230 HydrophobicContact SD-CB 3.79Å; M169-L230 HydrophobicContact SD-CD1 3.69Å; M169-L230 HydrophobicContact SD-CG 4.38Å; M169-A233 HydrophobicContact SD-CB 4.35Å
170T97.4Very high96Very high0 Ų036.9 Ų36.90%019%0.186CC..EExtended strand (participates in β ladder)trans-107.9177.4176.958.10000110.9I168 T174 L175 F198 E199 Q200I168-T170 HydrophobicContact CG2-CG2 3.99Å; I168-T170 PolarHBondContact O-N 3.21Å; T170-T174 WeakPolarHBondContact CB-OG1 3.11Å; T170-L175 HydrophobicContact CG2-CD1 4.36Å; T170-L175 WeakPolarHBondContact OG1-CB 3.31Å; T170-L175 WeakPolarHBondContact OG1-CD1 3.23Å; T170-F198 PolarHBondContact N-O 3.19Å; T170-F198 PolarHBondContact OG1-O 3.32Å; T170-E199 WeakPolarHBondContact O-CA 3.45Å; T170-Q200 WeakPolarHBondContact O-CG 3.45Å; T170-Q200 PolarHBondContact O-N 3.17Å
171S92.8Very high96.4Very high0 Ų035.2 Ų35.20%017%0.171CC..  trans-109.9172.6162.163.50000109.3G114 F173 T174 L175G114-S171 WeakPolarHBondContact O-CB 3.41Å; G114-S171 PolarHBondContact O-OG 3.18Å; S171-F173 PolarHBondContact O-N 3.16Å; S171-F173 VanDerWaalsContact O-N 3.12Å; S171-F173 PolarHBondContact OG-N 2.96Å; S171-T174 PolarHBondContact N-OG1 2.93Å; S171-T174 PolarHBondContact O-N 3.05Å; S171-T174 PolarHBondContact OG-N 3.34Å; S171-T174 PolarHBondContact OG-OG1 2.85Å; S171-L175 PolarHBondContact O-N 3.26Å
172E89.2Confident96.6Very high100 Ų10027 Ų2747%0.46714%0.135SC..Hα-helixtrans-48.4-38.9169.9-170.8-171.8154.800112.2T174 E199 M202E172-T174 VanDerWaalsContact C-N 3.34Å; E172-T174 PolarHBondContact O-N 2.93Å; E172-E199 VanDerWaalsContact CA-OE1 3.28Å; E172-E199 WeakPolarHBondContact CA-OE1 3.44Å; E172-M202 HydrophobicContact CB-CG 4.06Å; E172-M202 HydrophobicContact CB-SD 4.46Å
173F86.9Confident96.7Very high67 Ų6732.5 Ų32.529%0.29416%0.16SC..Hα-helixtrans-76.4-18.7-179.5-54-51.3000114.3Q116 S171 M202Q116-F173 HydrophobicContact CG-CB 4.1Å; S171-F173 PolarHBondContact O-N 3.16Å; S171-F173 VanDerWaalsContact O-N 3.12Å; S171-F173 PolarHBondContact OG-N 2.96Å; F173-M202 HydrophobicContact CD2-CE 3.73Å; F173-M202 HydrophobicContact CE2-CE 3.15Å; F173-M202 HydrophobicContact CZ-CE 3.71Å
174T93.7Very high96.7Very high0 Ų037.6 Ų37.60%018%0.181CC..Hα-helixtrans-115.6-16.4-172.965.20000114.2A113 Q116 P125 T170 S171 E172 T178A113-T174 PolarHBondContact O-OG1 2.84Å; A113-T174 VanDerWaalsContact O-OG1 3.09Å; Q116-T174 HydrophobicContact CG-CG2 3.91Å; P125-T174 HydrophobicContact CB-CG2 4.12Å; P125-T174 HydrophobicContact CG-CG2 3.97Å; T170-T174 WeakPolarHBondContact CB-OG1 3.11Å; S171-T174 PolarHBondContact N-OG1 2.93Å; S171-T174 PolarHBondContact O-N 3.05Å; S171-T174 PolarHBondContact OG-N 3.34Å; S171-T174 PolarHBondContact OG-OG1 2.85Å; E172-T174 VanDerWaalsContact C-N 3.34Å; E172-T174 PolarHBondContact O-N 2.93Å; T174-T178 WeakPolarHBondContact O-CB 3.26Å; T174-T178 PolarHBondContact O-N 3.25Å; T174-T178 VanDerWaalsContact O-N 3.09Å; T174-T178 PolarHBondContact O-OG1 3.3Å
175L95.9Very high96.7Very high26 Ų2640.4 Ų40.414%0.13620%0.196CC..Hα-helixtrans-60.4-62.1-178.3179.565.3000111.5T170 S171 T178 Q179 M197 E199T170-L175 HydrophobicContact CG2-CD1 4.36Å; T170-L175 WeakPolarHBondContact OG1-CB 3.31Å; T170-L175 WeakPolarHBondContact OG1-CD1 3.23Å; S171-L175 PolarHBondContact O-N 3.26Å; L175-T178 PolarHBondContact O-N 3.1Å; L175-T178 VanDerWaalsContact O-N 3.12Å; L175-Q179 HydrophobicContact CD1-CG 4.03Å; L175-Q179 HydrophobicContact CG-CG 4.36Å; L175-Q179 WeakPolarHBondContact O-CG 3.42Å; L175-Q179 PolarHBondContact O-N 3.32Å; L175-M197 HydrophobicContact CD1-CB 3.78Å; L175-E199 HydrophobicContact CB-CG 3.88Å; L175-E199 VanDerWaalsContact CB-OE1 3.27Å; L175-E199 WeakPolarHBondContact CB-OE1 3.42Å; L175-E199 HydrophobicContact CD1-CG 4.39Å; L175-E199 HydrophobicContact CD2-CG 3.67Å; L175-E199 WeakPolarHBondContact CD2-OE1 3.49Å; L175-E199 HydrophobicContact CG-CG 4.15Å
176K96.8Very high96.7Very high132 Ų13243.6 Ų43.657%0.57422%0.223SC*.Hα-helixtrans-60.3-47.3-173.2-177.662.4175.8178.30112.7T178 Q179 T180K176-T178 VanDerWaalsContact C-N 3.31Å; K176-T178 PolarHBondContact O-N 3.49Å; K176-Q179 PolarHBondContact O-N 2.82Å; K176-T180 PolarHBondContact O-N 2.89Å; K176-T180 PolarHBondContact O-OG1 2.87Å
177P96.9Very high96.7Very high52 Ų5245.4 Ų45.434%0.33823%0.231SC..Hα-helixtrans-60.8-38.1175.2-23.734.6000113.1P125 F181P125-P177 HydrophobicContact CG-CB 3.89Å; P177-F181 WeakPolarHBondContact O-CB 3.17Å; P177-F181 PolarHBondContact O-N 3.47Å
178T98Very high96.6Very high0 Ų046.4 Ų46.40%024%0.236CC..Hα-helixtrans-66.8-45178.1-58.20000111.2Y140 T174 L175 K176 T180 F181 F182 M197Y140-T178 HydrophobicContact CE2-CG2 3.89Å; Y140-T178 WeakPolarHBondContact OH-CG2 3.42Å; Y140-T178 PolarHBondContact OH-OG1 3.15Å; T174-T178 WeakPolarHBondContact O-CB 3.26Å; T174-T178 PolarHBondContact O-N 3.25Å; T174-T178 VanDerWaalsContact O-N 3.09Å; T174-T178 PolarHBondContact O-OG1 3.3Å; L175-T178 PolarHBondContact O-N 3.1Å; L175-T178 VanDerWaalsContact O-N 3.12Å; K176-T178 VanDerWaalsContact C-N 3.31Å; K176-T178 PolarHBondContact O-N 3.49Å; T178-T180 PolarHBondContact O-N 2.92Å; T178-F181 PolarHBondContact O-N 3.35Å; T178-F182 HydrophobicContact CG2-CD2 3.85Å; T178-F182 HydrophobicContact CG2-CE2 3.78Å; T178-F182 VanDerWaalsContact O-CD2 3.29Å; T178-F182 WeakPolarHBondContact O-CD2 3.36Å; T178-F182 PolarHBondContact O-N 3.48Å; T178-M197 HydrophobicContact CG2-CE 3.91Å; T178-M197 HydrophobicContact CG2-SD 3.98Å
179Q98.4Very high96.6Very high65 Ų6548.9 Ų48.930%0.30426%0.261SS..Hα-helixtrans-58.4-48.7176.1-74.8179.2-23.200111.9L175 K176 F181 F182 Q183 M197L175-Q179 HydrophobicContact CD1-CG 4.03Å; L175-Q179 HydrophobicContact CG-CG 4.36Å; L175-Q179 WeakPolarHBondContact O-CG 3.42Å; L175-Q179 PolarHBondContact O-N 3.32Å; K176-Q179 PolarHBondContact O-N 2.82Å; Q179-F181 PolarHBondContact O-N 2.93Å; Q179-F182 PolarHBondContact O-N 3.38Å; Q179-Q183 VanDerWaalsContact O-CG 3.27Å; Q179-Q183 WeakPolarHBondContact O-CG 3.49Å; Q179-Q183 PolarHBondContact O-N 2.91Å; Q179-M197 HydrophobicContact CB-SD 4.3Å; Q179-M197 HydrophobicContact CG-SD 3.47Å; Q179-M197 WeakPolarHBondContact CG-SD 3.39Å
180T98.4Very high96.5Very high44 Ų4449.4 Ų49.427%0.2726%0.264SS..Hα-helixtrans-59.1-47.6177.5-65.70000110.8K176 T178 F182 Q183 E184K176-T180 PolarHBondContact O-N 2.89Å; K176-T180 PolarHBondContact O-OG1 2.87Å; T178-T180 PolarHBondContact O-N 2.92Å; T180-F182 PolarHBondContact O-N 2.9Å; T180-Q183 PolarHBondContact O-N 3.13Å; T180-Q183 VanDerWaalsContact O-N 3.16Å; T180-E184 HydrophobicContact CG2-CG 4.21Å; T180-E184 VanDerWaalsContact CG2-OE1 3.28Å; T180-E184 WeakPolarHBondContact CG2-OE1 3.49Å; T180-E184 WeakPolarHBondContact O-CG 3.4Å; T180-E184 PolarHBondContact O-N 3.27Å
181F98.4Very high96.6Very high25 Ų2555.3 Ų55.311%0.1129%0.292CS..Hα-helixtrans-61.3-42.6-179-174.3-112.9000112.9M128 T138 Y140 P177 T178 Q179 N185 F188M128-F181 HydrophobicContact CB-CD1 4.49Å; M128-F181 HydrophobicContact CB-CE1 4.35Å; M128-F181 HydrophobicContact CB-CZ 4.45Å; M128-F181 HydrophobicContact CE-CB 3.82Å; M128-F181 HydrophobicContact CE-CD1 4.47Å; M128-F181 HydrophobicContact CE-CD2 3.42Å; M128-F181 VanDerWaalsContact CE-CD2 3.42Å; M128-F181 HydrophobicContact CE-CE2 4.04Å; M128-F181 HydrophobicContact CE-CG 3.66Å; M128-F181 HydrophobicContact CG-CB 4.23Å; M128-F181 HydrophobicContact CG-CD1 3.67Å; M128-F181 HydrophobicContact CG-CD2 4.27Å; M128-F181 HydrophobicContact CG-CE1 3.99Å; M128-F181 HydrophobicContact CG-CG 3.8Å; M128-F181 HydrophobicContact CG-CZ 4.44Å; M128-F181 HydrophobicContact SD-CB 3.88Å; M128-F181 HydrophobicContact SD-CD1 4.43Å; M128-F181 HydrophobicContact SD-CD2 4.35Å; M128-F181 HydrophobicContact SD-CG 3.98Å; T138-F181 HydrophobicContact CG2-CE1 4.43Å; T138-F181 HydrophobicContact CG2-CZ 3.77Å; Y140-F181 AromaticContact CD2-CD1 3.88Å; Y140-F181 HydrophobicContact CD2-CD1 3.88Å; Y140-F181 HydrophobicContact CD2-CE1 4.01Å; P177-F181 WeakPolarHBondContact O-CB 3.17Å; P177-F181 PolarHBondContact O-N 3.47Å; T178-F181 PolarHBondContact O-N 3.35Å; Q179-F181 PolarHBondContact O-N 2.93Å; F181-N185 WeakPolarHBondContact CD2-ND2 3.4Å; F181-N185 WeakPolarHBondContact CE2-ND2 3.18Å; F181-N185 WeakPolarHBondContact O-CB 3.35Å; F181-N185 PolarHBondContact O-N 3.42Å; F181-N185 PolarHBondContact O-ND2 3.43Å; F181-F188 AromaticContact CD1-CZ 3.92Å; F181-F188 HydrophobicContact CD1-CZ 3.92Å; F181-F188 HydrophobicContact CE1-CE1 4.32Å; F181-F188 HydrophobicContact CE1-CE2 4.42Å; F181-F188 AromaticContact CE1-CZ 3.52Å; F181-F188 HydrophobicContact CE1-CZ 3.52Å; F181-F188 HydrophobicContact CZ-CZ 4.21Å
182F98.7Very high96.8Very high0 Ų058.5 Ų58.50%031%0.313CS..Hα-helixtrans-64.9-40.4175.6-89.1-109.8000111.9Y140 W166 I168 T178 Q179 T180 N185 A186 H187 F188 I195 M197Y140-F182 AromaticContact CD1-CE2 3.79Å; Y140-F182 HydrophobicContact CD1-CE2 3.79Å; Y140-F182 AromaticContact CD1-CZ 3.88Å; Y140-F182 HydrophobicContact CD1-CZ 3.88Å; Y140-F182 AromaticContact CD2-CE2 3.74Å; Y140-F182 HydrophobicContact CD2-CE2 3.74Å; Y140-F182 HydrophobicContact CE1-CE2 4.03Å; Y140-F182 HydrophobicContact CE1-CZ 4.34Å; Y140-F182 AromaticContact CE2-CE2 3.98Å; Y140-F182 HydrophobicContact CE2-CE2 3.98Å; Y140-F182 AromaticContact CG-CE2 3.65Å; Y140-F182 HydrophobicContact CG-CE2 3.65Å; Y140-F182 HydrophobicContact CG-CZ 4.01Å; W166-F182 AromaticContact CE3-CE1 4Å; W166-F182 HydrophobicContact CE3-CE1 4Å; W166-F182 HydrophobicContact CE3-CZ 4.28Å; W166-F182 HydrophobicContact CH2-CE1 4.14Å; W166-F182 AromaticContact CH2-CZ 3.71Å; W166-F182 HydrophobicContact CH2-CZ 3.71Å; W166-F182 AromaticContact CZ3-CE1 3.48Å; W166-F182 HydrophobicContact CZ3-CE1 3.48Å; W166-F182 VanDerWaalsContact CZ3-CE1 3.48Å; W166-F182 AromaticContact CZ3-CZ 3.55Å; W166-F182 HydrophobicContact CZ3-CZ 3.55Å; I168-F182 HydrophobicContact CD1-CE1 4.08Å; I168-F182 HydrophobicContact CD1-CE2 4.25Å; I168-F182 HydrophobicContact CD1-CZ 3.64Å; T178-F182 HydrophobicContact CG2-CD2 3.85Å; T178-F182 HydrophobicContact CG2-CE2 3.78Å; T178-F182 VanDerWaalsContact O-CD2 3.29Å; T178-F182 WeakPolarHBondContact O-CD2 3.36Å; T178-F182 PolarHBondContact O-N 3.48Å; Q179-F182 PolarHBondContact O-N 3.38Å; T180-F182 PolarHBondContact O-N 2.9Å; F182-N185 CarbonylContact O-C 3.53Å; F182-N185 PolarHBondContact O-N 3.02Å; F182-A186 PolarHBondContact O-N 3.14Å; F182-H187 WeakPolarHBondContact O-CA 3.36Å; F182-H187 PolarHBondContact O-N 2.85Å; F182-F188 HydrophobicContact CD1-CD2 4.11Å; F182-F188 AromaticContact CD1-CE2 3.93Å; F182-F188 HydrophobicContact CD1-CE2 3.93Å; F182-F188 HydrophobicContact CD2-CE2 4.13Å; F182-F188 HydrophobicContact CE1-CD2 4.05Å; F182-F188 AromaticContact CE1-CE2 3.96Å; F182-F188 HydrophobicContact CE1-CE2 3.96Å; F182-F188 HydrophobicContact CE2-CE2 4.16Å; F182-F188 HydrophobicContact CG-CE2 4.04Å; F182-F188 HydrophobicContact CZ-CD2 4.5Å; F182-F188 HydrophobicContact CZ-CE2 4.08Å; F182-I195 HydrophobicContact CD1-CD1 3.9Å; F182-I195 HydrophobicContact CD1-CG2 4.48Å; F182-I195 HydrophobicContact CE1-CD1 4.04Å; F182-I195 HydrophobicContact CE1-CG2 4.39Å; F182-M197 HydrophobicContact CB-CE 3.87Å; F182-M197 HydrophobicContact CD1-CE 3.96Å; F182-M197 HydrophobicContact CD2-CE 3.66Å; F182-M197 HydrophobicContact CE1-CE 4.38Å; F182-M197 HydrophobicContact CE2-CE 4.11Å; F182-M197 HydrophobicContact CG-CE 3.55Å; F182-M197 HydrophobicContact CZ-CE 4.45Å
183Q98.4Very high97.2Very high121 Ų12157.6 Ų57.657%0.56532%0.317SS*.Hα-helixtrans-63.9-47.3177.4-72.3170.53.300112Q179 T180 N185 A186Q179-Q183 VanDerWaalsContact O-CG 3.27Å; Q179-Q183 WeakPolarHBondContact O-CG 3.49Å; Q179-Q183 PolarHBondContact O-N 2.91Å; T180-Q183 PolarHBondContact O-N 3.13Å; T180-Q183 VanDerWaalsContact O-N 3.16Å; Q183-N185 PolarHBondContact O-N 2.64Å; Q183-A186 PolarHBondContact O-N 2.79Å; Q183-A186 VanDerWaalsContact O-N 3.1Å
184E98.4Very high97.7Very high147 Ų14755.8 Ų55.869%0.68731%0.311SS*.Hα-helixtrans-60.5-30.5178.7-73.1173.4170.200112.5T180T180-E184 HydrophobicContact CG2-CG 4.21Å; T180-E184 VanDerWaalsContact CG2-OE1 3.28Å; T180-E184 WeakPolarHBondContact CG2-OE1 3.49Å; T180-E184 WeakPolarHBondContact O-CG 3.4Å; T180-E184 PolarHBondContact O-N 3.27Å
185N98.6Very high98Very high62 Ų6256.8 Ų56.833%0.33232%0.316SS..THydrogen-bonded Turntrans-99.320.7179-68.2-85.1000113.3F181 F182 Q183 H187 F188F181-N185 WeakPolarHBondContact CD2-ND2 3.4Å; F181-N185 WeakPolarHBondContact CE2-ND2 3.18Å; F181-N185 WeakPolarHBondContact O-CB 3.35Å; F181-N185 PolarHBondContact O-N 3.42Å; F181-N185 PolarHBondContact O-ND2 3.43Å; F182-N185 CarbonylContact O-C 3.53Å; F182-N185 PolarHBondContact O-N 3.02Å; Q183-N185 PolarHBondContact O-N 2.64Å; N185-H187 PolarHBondContact O-N 3.14Å; N185-F188 HydrophobicContact CB-CD1 3.8Å; N185-F188 HydrophobicContact CB-CE1 3.27Å; N185-F188 HydrophobicContact CB-CE2 4.41Å; N185-F188 HydrophobicContact CB-CZ 3.61Å; N185-F188 PolarHBondContact O-N 3.38Å
186A98.4Very high98.1Very high72 Ų7257.2 Ų57.260%0.59532%0.319SS*.G310 helixtrans49.337.8179.400000113.5F182 Q183 F188 G189F182-A186 PolarHBondContact O-N 3.14Å; Q183-A186 PolarHBondContact O-N 2.79Å; Q183-A186 VanDerWaalsContact O-N 3.1Å; A186-F188 PolarHBondContact O-N 3.36Å; A186-F188 VanDerWaalsContact O-N 3.1Å; A186-G189 PolarHBondContact O-N 3.2Å
187H98.4Very high98.2Very high38 Ų3852.7 Ų52.718%0.17630%0.301CS..G310 helixtrans5525.4-178.3-53.775.4000113.6F182 N185 G189 L190 I195F182-H187 WeakPolarHBondContact O-CA 3.36Å; F182-H187 PolarHBondContact O-N 2.85Å; N185-H187 PolarHBondContact O-N 3.14Å; H187-G189 PolarHBondContact O-N 3.07Å; H187-G189 VanDerWaalsContact O-N 3.11Å; H187-L190 WeakPolarHBondContact O-CB 3.28Å; H187-L190 PolarHBondContact O-N 3.47Å; H187-I195 HydrophobicContact CB-CD1 3.81Å
188F98.3Very high98.3Very high21 Ų2150.6 Ų50.69%0.09229%0.286CS..G310 helixtrans53.729.2-177.9-47.3-74.7000113.2Q141 A144 L148 F181 F182 N185 A186Q141-F188 HydrophobicContact CB-CD1 3.71Å; Q141-F188 HydrophobicContact CB-CE1 3.79Å; Q141-F188 HydrophobicContact CB-CG 4.37Å; Q141-F188 HydrophobicContact CG-CD1 3.68Å; Q141-F188 HydrophobicContact CG-CE1 4.19Å; Q141-F188 HydrophobicContact CG-CG 4.37Å; A144-F188 HydrophobicContact CB-CB 3.57Å; A144-F188 HydrophobicContact CB-CD2 3.95Å; A144-F188 HydrophobicContact CB-CG 4.02Å; L148-F188 VanDerWaalsContact CD1-O 3.22Å; L148-F188 WeakPolarHBondContact CD1-O 3.29Å; F181-F188 AromaticContact CD1-CZ 3.92Å; F181-F188 HydrophobicContact CD1-CZ 3.92Å; F181-F188 HydrophobicContact CE1-CE1 4.32Å; F181-F188 HydrophobicContact CE1-CE2 4.42Å; F181-F188 AromaticContact CE1-CZ 3.52Å; F181-F188 HydrophobicContact CE1-CZ 3.52Å; F181-F188 HydrophobicContact CZ-CZ 4.21Å; F182-F188 HydrophobicContact CD1-CD2 4.11Å; F182-F188 AromaticContact CD1-CE2 3.93Å; F182-F188 HydrophobicContact CD1-CE2 3.93Å; F182-F188 HydrophobicContact CD2-CE2 4.13Å; F182-F188 HydrophobicContact CE1-CD2 4.05Å; F182-F188 AromaticContact CE1-CE2 3.96Å; F182-F188 HydrophobicContact CE1-CE2 3.96Å; F182-F188 HydrophobicContact CE2-CE2 4.16Å; F182-F188 HydrophobicContact CG-CE2 4.04Å; F182-F188 HydrophobicContact CZ-CD2 4.5Å; F182-F188 HydrophobicContact CZ-CE2 4.08Å; N185-F188 HydrophobicContact CB-CD1 3.8Å; N185-F188 HydrophobicContact CB-CE1 3.27Å; N185-F188 HydrophobicContact CB-CE2 4.41Å; N185-F188 HydrophobicContact CB-CZ 3.61Å; N185-F188 PolarHBondContact O-N 3.38Å; A186-F188 PolarHBondContact O-N 3.36Å; A186-F188 VanDerWaalsContact O-N 3.1Å
189G97.5Very high98.1Very high52 Ų5253.9 Ų53.954%0.53630%0.302SS..G310 helixtrans86.2-5.7-178.600000115.4A186 H187A186-G189 PolarHBondContact O-N 3.2Å; H187-G189 PolarHBondContact O-N 3.07Å; H187-G189 VanDerWaalsContact O-N 3.11Å
190L98.1Very high98Very high14 Ų1451.4 Ų51.47%0.07329%0.29CS..SBendtrans-72.5152.9170.8-70.2169000111A144 I147 L148 W166 H187 P192 I195A144-L190 HydrophobicContact CB-CD1 3.83Å; I147-L190 HydrophobicContact CB-CD2 4.3Å; I147-L190 HydrophobicContact CD1-CD1 4.4Å; I147-L190 HydrophobicContact CG2-CD2 3.79Å; L148-L190 HydrophobicContact CD2-CD2 3.62Å; L148-L190 HydrophobicContact CD2-CG 4.22Å; L148-L190 HydrophobicContact CG-CD2 3.74Å; L148-L190 HydrophobicContact CG-CG 4.11Å; W166-L190 HydrophobicContact CE3-CD1 3.74Å; W166-L190 HydrophobicContact CZ3-CD1 4.05Å; H187-L190 WeakPolarHBondContact O-CB 3.28Å; H187-L190 PolarHBondContact O-N 3.47Å; L190-P192 WeakPolarHBondContact O-CD 3.45Å; L190-I195 HydrophobicContact CB-CD1 3.89Å; L190-I195 HydrophobicContact CB-CG1 4.44Å; L190-I195 HydrophobicContact CD1-CD1 4.22Å; L190-I195 HydrophobicContact CD1-CG1 4.43Å
191Q97.6Very high97.6Very high124 Ų12453.7 Ų53.758%0.57929%0.294SS*.  trans-70.8125.6173.4-69-62.3-44.500109.9S193 N194Q191-S193 PolarHBondContact O-N 2.98Å; Q191-S193 VanDerWaalsContact O-N 3.16Å; Q191-N194 HydrophobicContact CB-CB 4.48Å; Q191-N194 WeakPolarHBondContact O-CB 3.38Å; Q191-N194 PolarHBondContact O-N 2.75Å
192P97.9Very high97.2Very high67 Ų6754 Ų5444%0.43530%0.296SS..G310 helixtrans-56.8-34.8-176.9-26.634000113.5L190 N194 I195L190-P192 WeakPolarHBondContact O-CD 3.45Å; P192-N194 PolarHBondContact O-N 3.42Å; P192-N194 VanDerWaalsContact O-N 3.15Å; P192-I195 PolarHBondContact O-N 2.8Å; P192-I195 VanDerWaalsContact O-N 3.13Å
193S97.8Very high96.8Very high81 Ų8155.7 Ų55.757%0.56631%0.305SS*.G310 helixtrans-67.2-10.5177.657.10000114.5Q191 R246Q191-S193 PolarHBondContact O-N 2.98Å; Q191-S193 VanDerWaalsContact O-N 3.16Å; S193-R246 PolarHBondContact O-NH1 2.95Å; S193-R246 PolarHBondContact O-NH2 3.36Å
194N98.1Very high96.6Very high29 Ų2950.4 Ų50.416%0.15528%0.281CS..G310 helixtrans-103.73.9176.9-66.4-26.7000112.8T163 W166 Q191 P192 R246T163-N194 HydrophobicContact CG2-CB 4.14Å; T163-N194 VanDerWaalsContact CG2-CG 3.47Å; T163-N194 WeakPolarHBondContact CG2-ND2 3.26Å; W166-N194 PolarHBondContact N-O 3.41Å; Q191-N194 HydrophobicContact CB-CB 4.48Å; Q191-N194 WeakPolarHBondContact O-CB 3.38Å; Q191-N194 PolarHBondContact O-N 2.75Å; P192-N194 PolarHBondContact O-N 3.42Å; P192-N194 VanDerWaalsContact O-N 3.15Å; N194-R246 PolarHBondContact OD1-NH1 2.84Å
195I98.7Very high96.4Very high21 Ų2143.5 Ų43.511%0.10825%0.248CC..EExtended strand (participates in β ladder)trans-110.3114.4172.2-60.8162.8000107.6W166 I168 F182 H187 L190 P192 M197W166-I195 HydrophobicContact CE3-CG1 4.46Å; W166-I195 WeakPolarHBondContact O-CA 3.3Å; I168-I195 HydrophobicContact CD1-CG2 3.85Å; F182-I195 HydrophobicContact CD1-CD1 3.9Å; F182-I195 HydrophobicContact CD1-CG2 4.48Å; F182-I195 HydrophobicContact CE1-CD1 4.04Å; F182-I195 HydrophobicContact CE1-CG2 4.39Å; H187-I195 HydrophobicContact CB-CD1 3.81Å; L190-I195 HydrophobicContact CB-CD1 3.89Å; L190-I195 HydrophobicContact CB-CG1 4.44Å; L190-I195 HydrophobicContact CD1-CD1 4.22Å; L190-I195 HydrophobicContact CD1-CG1 4.43Å; P192-I195 PolarHBondContact O-N 2.8Å; P192-I195 VanDerWaalsContact O-N 3.13Å; I195-M197 HydrophobicContact CG2-CE 3.88Å; I195-M197 HydrophobicContact CG2-CG 4.23Å
196V98.6Very high96.2Very high34 Ų3440.5 Ų40.521%0.20623%0.233CC..EExtended strand (participates in β ladder)trans-115.2104.7-177.6-177.80000108.2W166 Y167 I168W166-V196 PolarHBondContact O-N 3.31Å; Y167-V196 CarbonylContact C-O 3.43Å; Y167-V196 VanDerWaalsContact CA-O 3.32Å; Y167-V196 WeakPolarHBondContact CA-O 3.28Å; Y167-V196 HydrophobicContact CD1-CB 3.63Å; Y167-V196 HydrophobicContact CD1-CG1 3.94Å; Y167-V196 HydrophobicContact CD1-CG2 4.22Å; Y167-V196 HydrophobicContact CE1-CB 3.87Å; Y167-V196 HydrophobicContact CE1-CG1 4.12Å; Y167-V196 HydrophobicContact CE1-CG2 3.95Å; I168-V196 PolarHBondContact N-O 3.41Å
197M98.6Very high96Very high38 Ų3838.8 Ų38.819%0.18722%0.215CC..EExtended strand (participates in β ladder)trans-93.2134.2176-55.9-176.1-175.900109.6I168 L175 T178 Q179 F182 I195I168-M197 HydrophobicContact CB-CG 4.19Å; I168-M197 HydrophobicContact CD1-CE 4.21Å; I168-M197 HydrophobicContact CD1-CG 4.47Å; I168-M197 WeakPolarHBondContact O-CA 3.49Å; L175-M197 HydrophobicContact CD1-CB 3.78Å; T178-M197 HydrophobicContact CG2-CE 3.91Å; T178-M197 HydrophobicContact CG2-SD 3.98Å; Q179-M197 HydrophobicContact CB-SD 4.3Å; Q179-M197 HydrophobicContact CG-SD 3.47Å; Q179-M197 WeakPolarHBondContact CG-SD 3.39Å; F182-M197 HydrophobicContact CB-CE 3.87Å; F182-M197 HydrophobicContact CD1-CE 3.96Å; F182-M197 HydrophobicContact CD2-CE 3.66Å; F182-M197 HydrophobicContact CE1-CE 4.38Å; F182-M197 HydrophobicContact CE2-CE 4.11Å; F182-M197 HydrophobicContact CG-CE 3.55Å; F182-M197 HydrophobicContact CZ-CE 4.45Å; I195-M197 HydrophobicContact CG2-CE 3.88Å; I195-M197 HydrophobicContact CG2-CG 4.23Å
198F98.2Very high95.8Very high7 Ų741.4 Ų41.43%0.03123%0.226CC..EExtended strand (participates in β ladder)trans-145.3152179.967.7-78.6000110.6L110 I168 M169 T170 L230 A233 L234 N237 V239L110-F198 HydrophobicContact CD1-CZ 4.22Å; I168-F198 PolarHBondContact O-N 3.26Å; M169-F198 CarbonylContact C-O 3.59Å; M169-F198 WeakPolarHBondContact CA-O 3.35Å; M169-F198 HydrophobicContact CB-CE1 3.99Å; M169-F198 HydrophobicContact CB-CE2 3.91Å; M169-F198 HydrophobicContact CB-CZ 3.56Å; M169-F198 HydrophobicContact CG-CD2 4.31Å; M169-F198 HydrophobicContact CG-CE2 3.72Å; M169-F198 HydrophobicContact CG-CZ 3.92Å; M169-F198 HydrophobicContact SD-CE2 4.25Å; T170-F198 PolarHBondContact N-O 3.19Å; T170-F198 PolarHBondContact OG1-O 3.32Å; F198-L230 HydrophobicContact CE2-CD1 4.28Å; F198-L230 HydrophobicContact CZ-CD1 3.98Å; F198-A233 HydrophobicContact CD2-CB 3.97Å; F198-A233 HydrophobicContact CE2-CB 3.76Å; F198-L234 HydrophobicContact CE2-CD2 4.4Å; F198-L234 HydrophobicContact CZ-CD2 4.17Å; F198-N237 HydrophobicContact CB-CB 3.82Å; F198-N237 HydrophobicContact CD2-CB 4.4Å; F198-N237 HydrophobicContact CG-CB 4.45Å; F198-V239 HydrophobicContact CB-CG2 4.22Å; F198-V239 HydrophobicContact CD1-CG2 3.94Å; F198-V239 HydrophobicContact CD2-CG2 3.94Å; F198-V239 HydrophobicContact CE1-CG2 4.29Å; F198-V239 HydrophobicContact CE2-CG2 4.26Å; F198-V239 HydrophobicContact CG-CG2 3.76Å; F198-V239 HydrophobicContact CZ-CG2 4.43Å
199E95.7Very high95.4Very high70 Ų7045.7 Ų45.733%0.32725%0.249SC..EExtended strand (participates in β ladder)trans-97.6137-174.4-69.6176125.800111.8T170 E172 L175 N237T170-E199 WeakPolarHBondContact O-CA 3.45Å; E172-E199 VanDerWaalsContact CA-OE1 3.28Å; E172-E199 WeakPolarHBondContact CA-OE1 3.44Å; L175-E199 HydrophobicContact CB-CG 3.88Å; L175-E199 VanDerWaalsContact CB-OE1 3.27Å; L175-E199 WeakPolarHBondContact CB-OE1 3.42Å; L175-E199 HydrophobicContact CD1-CG 4.39Å; L175-E199 HydrophobicContact CD2-CG 3.67Å; L175-E199 WeakPolarHBondContact CD2-OE1 3.49Å; L175-E199 HydrophobicContact CG-CG 4.15Å; E199-N237 PolarHBondContact O-ND2 3.29Å; E199-N237 VanDerWaalsContact O-ND2 3.08Å
200Q94.9Very high95.2Very high12 Ų1243.4 Ų43.46%0.05623%0.226CC..PPolyproline II helixtrans-78.1161.5161.576-168.8-27.200110.9G114 M169 T170 P224 G226 A233G114-Q200 VanDerWaalsContact CA-NE2 3.31Å; M169-Q200 HydrophobicContact CE-CB 4.43Å; M169-Q200 VanDerWaalsContact CE-OE1 3.25Å; M169-Q200 HydrophobicContact CG-CB 4.05Å; M169-Q200 HydrophobicContact SD-CB 3.93Å; T170-Q200 WeakPolarHBondContact O-CG 3.45Å; T170-Q200 PolarHBondContact O-N 3.17Å; Q200-P224 HydrophobicContact CG-CB 4.24Å; Q200-G226 PolarHBondContact OE1-O 3Å; Q200-A233 HydrophobicContact CB-CB 4.19Å
201R91Very high95.1Very high93 Ų9346.2 Ų46.235%0.35124%0.238SC..PPolyproline II helixtrans-71.3156.3179-67.5-172.4-179.7-177.83.7111.5D225 Q232 D236R201-D225 PolarHBondContact O-N 3.08Å; R201-Q232 VanDerWaalsContact NH2-NE2 3.19Å; R201-D236 IonicContact CZ-OD1 3.67Å; R201-D236 IonicContact CZ-OD2 2.79Å; R201-D236 IonicContact NE-OD2 3.61Å; R201-D236 PolarHBondContact NE-OD2 3.46Å; R201-D236 IonicContact NH2-OD1 3.57Å; R201-D236 PolarHBondContact NH2-OD1 2.84Å; R201-D236 IonicContact NH2-OD2 2.72Å; R201-D236 PolarHBondContact NH2-OD2 2.88Å
202M89.8Confident95Very high30 Ų3040.5 Ų40.515%0.14821%0.211CC..EExtended strand (participates in β ladder)trans-110.4138.9171.9-59.5-62.6-70.800108.4E172 F173 M222 A223 P224E172-M202 HydrophobicContact CB-CG 4.06Å; E172-M202 HydrophobicContact CB-SD 4.46Å; F173-M202 HydrophobicContact CD2-CE 3.73Å; F173-M202 HydrophobicContact CE2-CE 3.15Å; F173-M202 HydrophobicContact CZ-CE 3.71Å; M202-M222 HydrophobicContact CB-CB 4.36Å; M202-M222 HydrophobicContact CB-CE 3.71Å; M202-M222 HydrophobicContact CE-CB 4.1Å; M202-M222 WeakPolarHBondContact O-CE 3.11Å; M202-A223 CarbonylContact C-O 3.54Å; M202-A223 WeakPolarHBondContact CA-O 3.27Å; M202-A223 VanDerWaalsContact CE-C 3.42Å; M202-P224 HydrophobicContact CE-CG 4.13Å; M202-P224 HydrophobicContact SD-CB 4.02Å; M202-P224 HydrophobicContact SD-CG 3.9Å
203I90.6Very high94.9Very high37 Ų3737.7 Ų37.719%0.1919%0.192CC..EExtended strand (participates in β ladder)trans-123.7149.7176.760.5171.1000110.9A223 D225 M382I203-A223 PolarHBondContact N-O 3.48Å; I203-A223 PolarHBondContact O-N 3.45Å; I203-D225 HydrophobicContact CD1-CB 4.05Å; I203-D225 HydrophobicContact CG1-CB 4.13Å; I203-D225 HydrophobicContact CG2-CB 3.95Å; I203-M382 HydrophobicContact CD1-CB 3.88Å; I203-M382 WeakPolarHBondContact CD1-O 3.23Å
204P93Very high94.9Very high10 Ų1034 Ų347%0.06517%0.166CC..EExtended strand (participates in β ladder)trans-65135.5177.1-22.634.2000112.3L41 L46 H49 V212 I220 M222L41-P204 HydrophobicContact CD2-CG 3.73Å; L46-P204 HydrophobicContact CD1-CG 4.01Å; H49-P204 PolarHBondContact NE2-O 3.09Å; P204-V212 HydrophobicContact CB-CG1 4.12Å; P204-V212 HydrophobicContact CB-CG2 4.06Å; P204-I220 HydrophobicContact CB-CG2 4.07Å; P204-M222 HydrophobicContact CB-SD 4.27Å; P204-M222 HydrophobicContact CG-SD 3.97Å
205A94.3Very high94.7Very high1 Ų135.9 Ų35.91%0.00817%0.174CC..  trans-71140.6161.700000109.3I213 A221 V362 K381A205-I213 HydrophobicContact CB-CD1 4.34Å; A205-I213 PolarHBondContact O-N 2.87Å; A205-A221 HydrophobicContact CB-CB 4.27Å; A205-A221 WeakPolarHBondContact CB-O 3.35Å; A205-A221 PolarHBondContact N-O 3Å; A205-V362 HydrophobicContact CB-CG1 4.17Å; A205-V362 HydrophobicContact CB-CG2 4.29Å; A205-K381 HydrophobicContact CB-CG 4.46Å
206V94.9Very high94.6Very high0 Ų038.4 Ų38.40%019%0.188CC..BIsolated β-bridgetrans-127.3151.5-177.6-59.10000111.1A53 K211 V212 G379 I380A53-V206 HydrophobicContact CB-CG2 3.37Å; V206-K211 CarbonylContact C-O 3.56Å; V206-K211 WeakPolarHBondContact CA-O 3.43Å; V206-V212 HydrophobicContact CG1-CG2 4.4Å; V206-G379 CarbonylContact O-C 3.55Å; V206-G379 WeakPolarHBondContact O-CA 3.32Å; V206-I380 HydrophobicContact CG2-CB 4.08Å; V206-I380 HydrophobicContact CG2-CD1 4.41Å; V206-I380 PolarHBondContact N-O 2.83Å; V206-I380 VanDerWaalsContact N-O 3.17Å; V206-I380 PolarHBondContact O-N 2.79Å
207T94.8Very high94.5Very high35 Ų3539.6 Ų39.622%0.21519%0.19CC..  trans-69.3171.2171.2570000111.1D209 G210 K211 I213T207-D209 WeakPolarHBondContact CB-OD1 3.48Å; T207-D209 PolarHBondContact O-N 3.18Å; T207-D209 PolarHBondContact OG1-OD1 2.99Å; T207-G210 PolarHBondContact O-N 2.77Å; T207-K211 HydrophobicContact CG2-CB 4.4Å; T207-K211 PolarHBondContact N-O 3.12Å; T207-K211 WeakPolarHBondContact OG1-CA 3.38Å; T207-K211 VanDerWaalsContact OG1-CB 3.27Å; T207-K211 WeakPolarHBondContact OG1-CB 3.36Å; T207-K211 PolarHBondContact OG1-N 2.8Å; T207-K211 PolarHBondContact OG1-O 3.2Å; T207-I213 HydrophobicContact CG2-CD1 4.17Å; T207-I213 HydrophobicContact CG2-CG1 3.71Å
208F93Very high94.3Very high94 Ų9438.6 Ų38.641%0.41219%0.189SC..THydrogen-bonded Turntrans-62.9-22.9179-55.5-44.5000114.3G210 L359 P377 I380F208-G210 VanDerWaalsContact C-N 3.35Å; F208-L359 HydrophobicContact CD1-CD2 4.43Å; F208-L359 HydrophobicContact CE1-CD2 3.77Å; F208-P377 WeakPolarHBondContact CE2-O 3.49Å; F208-P377 HydrophobicContact CZ-CB 4.29Å; F208-P377 WeakPolarHBondContact CZ-O 3.5Å; F208-I380 HydrophobicContact CD1-CD1 3.92Å; F208-I380 HydrophobicContact CD1-CG1 3.69Å; F208-I380 HydrophobicContact CE1-CG1 4Å
209D91.2Very high94.1Very high110 Ų11042.1 Ų42.159%0.58821%0.205SC*.THydrogen-bonded Turntrans-92.711.6172.665.9-41.7000113.4T207 K211T207-D209 WeakPolarHBondContact CB-OD1 3.48Å; T207-D209 PolarHBondContact O-N 3.18Å; T207-D209 PolarHBondContact OG1-OD1 2.99Å; D209-K211 WeakPolarHBondContact OD2-CG 3.37Å
210G92.4Very high94.1Very high4 Ų438.8 Ų38.84%0.04119%0.189CC..SBendtrans76.828.6173.700000114.4Q16 C50 T207 F208Q16-G210 PolarHBondContact NE2-O 3.33Å; C50-G210 VanDerWaalsContact CB-O 3.28Å; C50-G210 WeakPolarHBondContact CB-O 3.27Å; T207-G210 PolarHBondContact O-N 2.77Å; F208-G210 VanDerWaalsContact C-N 3.35Å
211K95.3Very high94Very high74 Ų7438.6 Ų38.632%0.32219%0.19SC..PPolyproline II helixtrans-96.1131.5173.4-59.5-57.7-173.5-169.70111G15 V206 T207 D209 I213G15-K211 PolarHBondContact O-NZ 2.82Å; V206-K211 CarbonylContact C-O 3.56Å; V206-K211 WeakPolarHBondContact CA-O 3.43Å; T207-K211 HydrophobicContact CG2-CB 4.4Å; T207-K211 PolarHBondContact N-O 3.12Å; T207-K211 WeakPolarHBondContact OG1-CA 3.38Å; T207-K211 VanDerWaalsContact OG1-CB 3.27Å; T207-K211 WeakPolarHBondContact OG1-CB 3.36Å; T207-K211 PolarHBondContact OG1-N 2.8Å; T207-K211 PolarHBondContact OG1-O 3.2Å; D209-K211 WeakPolarHBondContact OD2-CG 3.37Å; K211-I213 PolarHBondContact O-N 3.42Å
212V96.1Very high94Very high3 Ų335.5 Ų35.52%0.01818%0.18CC..BIsolated β-bridgetrans-55.5129.9172.8171.60000110Q16 H18 V19 L46 P204 V206 I220Q16-V212 HydrophobicContact CG-CG2 4.28Å; H18-V212 PolarHBondContact NE2-O 3.1Å; V19-V212 HydrophobicContact CG2-CB 3.78Å; V19-V212 HydrophobicContact CG2-CG1 3.92Å; L46-V212 HydrophobicContact CD1-CG2 3.97Å; P204-V212 HydrophobicContact CB-CG1 4.12Å; P204-V212 HydrophobicContact CB-CG2 4.06Å; V206-V212 HydrophobicContact CG1-CG2 4.4Å; V212-I220 HydrophobicContact CG1-CB 4.49Å; V212-I220 HydrophobicContact CG1-CD1 4.29Å; V212-I220 HydrophobicContact CG1-CG1 4.02Å; V212-I220 HydrophobicContact CG1-CG2 3.67Å
213I96.8Very high93.9Very high9 Ų934.2 Ų34.25%0.04617%0.173CC..PPolyproline II helixtrans-85.1130.2177.9-61.8173.6000108.8A205 T207 K211 A221 V362 F364A205-I213 HydrophobicContact CB-CD1 4.34Å; A205-I213 PolarHBondContact O-N 2.87Å; T207-I213 HydrophobicContact CG2-CD1 4.17Å; T207-I213 HydrophobicContact CG2-CG1 3.71Å; K211-I213 PolarHBondContact O-N 3.42Å; I213-A221 HydrophobicContact CB-CB 4.05Å; I213-A221 HydrophobicContact CG2-CB 3.89Å; I213-A221 WeakPolarHBondContact O-CB 3.39Å; I213-A221 PolarHBondContact O-N 3.05Å; I213-V362 HydrophobicContact CD1-CB 4.07Å; I213-V362 HydrophobicContact CD1-CG1 4.19Å; I213-V362 HydrophobicContact CD1-CG2 4.34Å; I213-V362 HydrophobicContact CG2-CG1 3.98Å; I213-F364 HydrophobicContact CG2-CB 3.54Å
214L97Very high93.9Very high2 Ų233.9 Ų33.91%0.0117%0.174CC..EExtended strand (participates in β ladder)trans-89.6123.6169.6-71.6173.8000109.4V19 R21 F22 F34 K219 I220 F364 V365V19-L214 HydrophobicContact CG1-CD2 4.22Å; R21-L214 HydrophobicContact CG-CD1 4.44Å; F22-L214 HydrophobicContact CD2-CD1 4.29Å; F34-L214 HydrophobicContact CZ-CD2 4.01Å; L214-K219 CarbonylContact C-O 3.56Å; L214-K219 WeakPolarHBondContact CA-O 3.29Å; L214-K219 WeakPolarHBondContact CD2-O 3.5Å; L214-I220 HydrophobicContact CD2-CG1 3.98Å; L214-F364 CarbonylContact O-C 3.5Å; L214-F364 WeakPolarHBondContact O-CA 3.29Å; L214-F364 WeakPolarHBondContact O-CB 3.41Å; L214-V365 HydrophobicContact CB-CG1 3.62Å; L214-V365 HydrophobicContact CD1-CG1 4.49Å; L214-V365 PolarHBondContact O-N 3.31Å
215E95Very high93.7Very high69 Ų6934.3 Ų34.332%0.32218%0.176SC..EExtended strand (participates in β ladder)trans-71.5-37.8171.3-173.9-175.6-179.200110.3K219 A221 Q371E215-K219 HydrophobicContact CB-CG 4.49Å; E215-K219 PolarHBondContact N-O 3.44Å; E215-K219 IonicContact OE1-NZ 2.68Å; E215-K219 WeakPolarHBondContact OE2-CD 3.47Å; E215-K219 WeakPolarHBondContact OE2-CE 3.38Å; E215-K219 IonicContact OE2-NZ 3.12Å; E215-K219 PolarHBondContact OE2-NZ 3.45Å; E215-A221 HydrophobicContact CB-CB 4.13Å; E215-Q371 PolarHBondContact O-NE2 2.85Å; E215-Q371 PolarHBondContact O-OE1 3.16Å
216D95.6Very high93.5Very high74 Ų7434.7 Ų34.740%0.39618%0.18SC..EExtended strand (participates in β ladder)trans-147.2174.4176.5-152.1-13.4000110.7G218 K219 Q371D216-G218 PolarHBondContact O-N 3.31Å; D216-G218 VanDerWaalsContact O-N 3.07Å; D216-K219 HydrophobicContact CB-CB 3.93Å; D216-K219 PolarHBondContact N-O 3.21Å; D216-K219 PolarHBondContact O-N 3.18Å; D216-K219 VanDerWaalsContact O-N 3.09Å; D216-Q371 VanDerWaalsContact CG-NE2 3.3Å; D216-Q371 PolarHBondContact OD1-NE2 3.15Å
217K95.8Very high93.5Very high59 Ų5936.9 Ų36.926%0.25719%0.191SC..THydrogen-bonded Turntrans-52.9-34.2-174.6-70-171.4179.1-172.70114.1F22 E25 L26 V365F22-K217 HydrophobicContact CB-CB 3.71Å; F22-K217 HydrophobicContact CB-CD 4.32Å; F22-K217 HydrophobicContact CB-CG 4.02Å; F22-K217 WeakPolarHBondContact CB-O 3.44Å; F22-K217 HydrophobicContact CD1-CD 4.3Å; F22-K217 HydrophobicContact CD1-CG 4.24Å; F22-K217 HydrophobicContact CD2-CB 4.07Å; F22-K217 HydrophobicContact CD2-CG 3.91Å; F22-K217 HydrophobicContact CE2-CG 4.42Å; F22-K217 HydrophobicContact CG-CB 3.98Å; F22-K217 HydrophobicContact CG-CD 4.24Å; F22-K217 HydrophobicContact CG-CG 3.8Å; E25-K217 WeakPolarHBondContact OE2-CE 3.05Å; E25-K217 IonicContact OE2-NZ 2.68Å; E25-K217 PolarHBondContact OE2-NZ 2.79Å; L26-K217 HydrophobicContact CD2-CB 3.87Å; K217-V365 HydrophobicContact CG-CG2 4.27Å
218G95.1Very high93.4Very high17 Ų1735.3 Ų35.318%0.17518%0.182CC..THydrogen-bonded Turntrans-125.938176.700000112.4F34 D216F34-G218 WeakPolarHBondContact CB-O 3.47Å; F34-G218 WeakPolarHBondContact CD2-O 3.41Å; F34-G218 VanDerWaalsContact CG-O 3.3Å; F34-G218 WeakPolarHBondContact CG-O 3.33Å; D216-G218 PolarHBondContact O-N 3.31Å; D216-G218 VanDerWaalsContact O-N 3.07Å
219K94.5Very high93.5Very high81 Ų8130.9 Ų30.935%0.35216%0.163SC..EExtended strand (participates in β ladder)trans-148.5131.3-177.8-165.3179.9-176.4-152.80112.8L214 E215 D216L214-K219 CarbonylContact C-O 3.56Å; L214-K219 WeakPolarHBondContact CA-O 3.29Å; L214-K219 WeakPolarHBondContact CD2-O 3.5Å; E215-K219 HydrophobicContact CB-CG 4.49Å; E215-K219 PolarHBondContact N-O 3.44Å; E215-K219 IonicContact OE1-NZ 2.68Å; E215-K219 WeakPolarHBondContact OE2-CD 3.47Å; E215-K219 WeakPolarHBondContact OE2-CE 3.38Å; E215-K219 IonicContact OE2-NZ 3.12Å; E215-K219 PolarHBondContact OE2-NZ 3.45Å; D216-K219 HydrophobicContact CB-CB 3.93Å; D216-K219 PolarHBondContact N-O 3.21Å; D216-K219 PolarHBondContact O-N 3.18Å; D216-K219 VanDerWaalsContact O-N 3.09Å
220I94.9Very high93.8Very high1 Ų125.7 Ų25.71%0.00514%0.135CC..EExtended strand (participates in β ladder)trans-86.2142.4176.3-70.5163000110.3V19 F34 E37 L38 L41 P204 V212 L214 M222V19-I220 HydrophobicContact CG1-CD1 4.11Å; V19-I220 HydrophobicContact CG1-CG1 4.33Å; F34-I220 HydrophobicContact CE2-CD1 4.27Å; F34-I220 HydrophobicContact CE2-CG1 4.06Å; E37-I220 PolarHBondContact OE1-N 3.22Å; E37-I220 VanDerWaalsContact OE1-N 3.12Å; L38-I220 HydrophobicContact CD2-CD1 3.47Å; L38-I220 VanDerWaalsContact CD2-CD1 3.47Å; L41-I220 HydrophobicContact CD1-CD1 3.69Å; P204-I220 HydrophobicContact CB-CG2 4.07Å; V212-I220 HydrophobicContact CG1-CB 4.49Å; V212-I220 HydrophobicContact CG1-CD1 4.29Å; V212-I220 HydrophobicContact CG1-CG1 4.02Å; V212-I220 HydrophobicContact CG1-CG2 3.67Å; L214-I220 HydrophobicContact CD2-CG1 3.98Å; I220-M222 HydrophobicContact CB-CG 4.39Å; I220-M222 HydrophobicContact CB-SD 4.25Å; I220-M222 HydrophobicContact CG2-CG 4.1Å; I220-M222 HydrophobicContact CG2-SD 3.56Å; I220-M222 VanDerWaalsContact CG2-SD 3.56Å; I220-M222 PolarHBondContact O-N 3.03Å
221A93.6Very high94Very high7 Ų725.5 Ų25.56%0.05813%0.133CC..  trans-73.494.7168.900000109.7A205 I213 E215 V362A205-A221 HydrophobicContact CB-CB 4.27Å; A205-A221 WeakPolarHBondContact CB-O 3.35Å; A205-A221 PolarHBondContact N-O 3Å; I213-A221 HydrophobicContact CB-CB 4.05Å; I213-A221 HydrophobicContact CG2-CB 3.89Å; I213-A221 WeakPolarHBondContact O-CB 3.39Å; I213-A221 PolarHBondContact O-N 3.05Å; E215-A221 HydrophobicContact CB-CB 4.13Å; A221-V362 HydrophobicContact CB-CG1 3.66Å
222M91Very high94Very high29 Ų2923.3 Ų23.314%0.14312%0.124CC..EExtended strand (participates in β ladder)trans-90.1151.9178.4-62.5-62.9-81.300112L41 M202 P204 I220L41-M222 HydrophobicContact CD2-CE 3.71Å; L41-M222 HydrophobicContact CD2-SD 4.01Å; M202-M222 HydrophobicContact CB-CB 4.36Å; M202-M222 HydrophobicContact CB-CE 3.71Å; M202-M222 HydrophobicContact CE-CB 4.1Å; M202-M222 WeakPolarHBondContact O-CE 3.11Å; P204-M222 HydrophobicContact CB-SD 4.27Å; P204-M222 HydrophobicContact CG-SD 3.97Å; I220-M222 HydrophobicContact CB-CG 4.39Å; I220-M222 HydrophobicContact CB-SD 4.25Å; I220-M222 HydrophobicContact CG2-CG 4.1Å; I220-M222 HydrophobicContact CG2-SD 3.56Å; I220-M222 VanDerWaalsContact CG2-SD 3.56Å; I220-M222 PolarHBondContact O-N 3.03Å
223A87.9Confident94Very high2 Ų223.1 Ų23.12%0.01712%0.123CC..EExtended strand (participates in β ladder)trans-142.1152172.200000111.1M202 I203 K381M202-A223 CarbonylContact C-O 3.54Å; M202-A223 WeakPolarHBondContact CA-O 3.27Å; M202-A223 VanDerWaalsContact CE-C 3.42Å; I203-A223 PolarHBondContact N-O 3.48Å; I203-A223 PolarHBondContact O-N 3.45Å; A223-K381 HydrophobicContact CB-CD 3.49Å; A223-K381 VanDerWaalsContact CB-CD 3.49Å; A223-K381 HydrophobicContact CB-CG 4.13Å
224P89.9Confident94.1Very high30 Ų3022.7 Ų22.720%0.19512%0.121CC..EExtended strand (participates in β ladder)trans-63.4147.2172-12.726.5000111Q200 M202 G226Q200-P224 HydrophobicContact CG-CB 4.24Å; M202-P224 HydrophobicContact CE-CG 4.13Å; M202-P224 HydrophobicContact SD-CB 4.02Å; M202-P224 HydrophobicContact SD-CG 3.9Å; P224-G226 PolarHBondContact O-N 3.49Å
225D89.4Confident94Very high20 Ų2026.5 Ų26.511%0.10714%0.139CC..  trans-78.624.8-175.965-19.5000114.6R201 I203 G229 K384R201-D225 PolarHBondContact O-N 3.08Å; I203-D225 HydrophobicContact CD1-CB 4.05Å; I203-D225 HydrophobicContact CG1-CB 4.13Å; I203-D225 HydrophobicContact CG2-CB 3.95Å; D225-G229 WeakPolarHBondContact OD1-CA 3.34Å; D225-G229 WeakPolarHBondContact OD2-CA 3.46Å; D225-K384 PolarHBondContact O-N 2.91Å
226G90.4Very high94Very high9 Ų926.7 Ų26.79%0.09314%0.142CC..  trans81.2167-176.400000113.3Q200 P224 G228 G229 K384Q200-G226 PolarHBondContact OE1-O 3Å; P224-G226 PolarHBondContact O-N 3.49Å; G226-G228 PolarHBondContact O-N 3.34Å; G226-G229 PolarHBondContact O-N 3.16Å; G226-K384 CarbonylContact C-O 3.55Å; G226-K384 WeakPolarHBondContact CA-O 3.41Å
227N93.2Very high94.1Very high45 Ų4526.8 Ų26.824%0.24114%0.142CC..G310 helixtrans-68.6-17.3-178.462.411.7000113.6L112 G229 L230 K384 F385 V386L112-N227 HydrophobicContact CD1-CB 4.17Å; N227-G229 VanDerWaalsContact C-N 3.25Å; N227-L230 WeakPolarHBondContact O-CB 3.47Å; N227-L230 PolarHBondContact O-N 2.88Å; N227-K384 PolarHBondContact N-O 3.29Å; N227-K384 PolarHBondContact OD1-O 2.83Å; N227-F385 VanDerWaalsContact OD1-CA 3.27Å; N227-F385 WeakPolarHBondContact OD1-CA 3.41Å; N227-V386 HydrophobicContact CB-CB 4.36Å; N227-V386 PolarHBondContact OD1-N 3.45Å
228G94.2Very high94.2Very high2 Ų225.3 Ų25.32%0.02114%0.144CC..G310 helixtrans-75.5-9.1168.900000113.8G226 L230 Y231 K384G226-G228 PolarHBondContact O-N 3.34Å; G228-L230 PolarHBondContact O-N 2.88Å; G228-L230 VanDerWaalsContact O-N 3.15Å; G228-Y231 WeakPolarHBondContact O-CD2 3.41Å; G228-K384 WeakPolarHBondContact CA-O 3.41Å; G228-K384 PolarHBondContact N-O 3.02Å
229G94.1Very high94.4Very high2 Ų224.6 Ų24.62%0.02114%0.137CC..G310 helixtrans-59.4-15.916400000113.2D225 G226 N227 Y231 Q232 A233D225-G229 WeakPolarHBondContact OD1-CA 3.34Å; D225-G229 WeakPolarHBondContact OD2-CA 3.46Å; G226-G229 PolarHBondContact O-N 3.16Å; N227-G229 VanDerWaalsContact C-N 3.25Å; G229-Y231 VanDerWaalsContact C-N 3.26Å; G229-Y231 PolarHBondContact O-N 3.07Å; G229-Y231 VanDerWaalsContact O-N 3.17Å; G229-Q232 PolarHBondContact O-N 3.32Å; G229-A233 PolarHBondContact O-N 3.39Å
230L97.4Very high94.6Very high0 Ų020.9 Ų20.90%012%0.121CC..Hα-helixtrans-41.5-50.3172.4172.964.8000113.4L110 L112 M169 F198 N227 G228 Q232 A233 L234 I253 V386L110-L230 HydrophobicContact CD1-CD1 3.79Å; L110-L230 HydrophobicContact CD2-CD1 3.56Å; L110-L230 HydrophobicContact CD2-CD2 4.25Å; L110-L230 HydrophobicContact CG-CD1 4.33Å; L112-L230 HydrophobicContact CD2-CD1 4.45Å; L112-L230 HydrophobicContact CD2-CD2 4.25Å; M169-L230 HydrophobicContact CE-CB 4.36Å; M169-L230 WeakPolarHBondContact SD-CA 3.4Å; M169-L230 HydrophobicContact SD-CB 3.79Å; M169-L230 HydrophobicContact SD-CD1 3.69Å; M169-L230 HydrophobicContact SD-CG 4.38Å; F198-L230 HydrophobicContact CE2-CD1 4.28Å; F198-L230 HydrophobicContact CZ-CD1 3.98Å; N227-L230 WeakPolarHBondContact O-CB 3.47Å; N227-L230 PolarHBondContact O-N 2.88Å; G228-L230 PolarHBondContact O-N 2.88Å; G228-L230 VanDerWaalsContact O-N 3.15Å; L230-Q232 VanDerWaalsContact C-N 3.33Å; L230-Q232 PolarHBondContact O-N 3.01Å; L230-A233 CarbonylContact O-C 3.53Å; L230-A233 WeakPolarHBondContact O-CB 3.12Å; L230-A233 PolarHBondContact O-N 3.45Å; L230-A233 VanDerWaalsContact O-N 3.13Å; L230-L234 HydrophobicContact CD1-CD1 4.19Å; L230-L234 HydrophobicContact CD1-CD2 4.13Å; L230-L234 HydrophobicContact CD1-CG 3.88Å; L230-L234 HydrophobicContact CG-CD1 4.07Å; L230-L234 HydrophobicContact CG-CG 4.2Å; L230-L234 VanDerWaalsContact O-CG 3.29Å; L230-L234 WeakPolarHBondContact O-CG 3.35Å; L230-L234 PolarHBondContact O-N 2.93Å; L230-I253 HydrophobicContact CD2-CD1 3.58Å; L230-V386 HydrophobicContact CD2-CG2 3.79Å
231Y97.6Very high94.7Very high1 Ų125.3 Ų25.30%0.00414%0.141CC..Hα-helixtrans-67.5-36.6-170.4-49.2-68.3000112.2G228 G229 L342 V345 V346 L353 V386 V389G228-Y231 WeakPolarHBondContact O-CD2 3.41Å; G229-Y231 VanDerWaalsContact C-N 3.26Å; G229-Y231 PolarHBondContact O-N 3.07Å; G229-Y231 VanDerWaalsContact O-N 3.17Å; Y231-L342 HydrophobicContact CD1-CD2 4.29Å; Y231-L342 HydrophobicContact CE1-CD2 4.04Å; Y231-V345 HydrophobicContact CD1-CB 4.38Å; Y231-V345 HydrophobicContact CD1-CG1 3.48Å; Y231-V345 VanDerWaalsContact CD1-CG1 3.48Å; Y231-V345 HydrophobicContact CD2-CG1 4.16Å; Y231-V345 HydrophobicContact CE1-CG1 3.92Å; Y231-V345 HydrophobicContact CG-CG1 3.6Å; Y231-V346 VanDerWaalsContact O-CG2 3.27Å; Y231-V346 WeakPolarHBondContact O-CG2 3.33Å; Y231-L353 HydrophobicContact CD2-CD1 3.4Å; Y231-L353 HydrophobicContact CE2-CD1 3.7Å; Y231-L353 HydrophobicContact CG-CD1 4.46Å; Y231-V386 VanDerWaalsContact OH-C 3.32Å; Y231-V386 PolarHBondContact OH-O 3.36Å; Y231-V389 HydrophobicContact CD2-CG1 4.13Å; Y231-V389 HydrophobicContact CE1-CG1 3.89Å; Y231-V389 HydrophobicContact CE1-CG2 4.38Å; Y231-V389 HydrophobicContact CE2-CG1 3.42Å; Y231-V389 VanDerWaalsContact CE2-CG1 3.42Å; Y231-V389 WeakPolarHBondContact OH-CG1 3.42Å; Y231-V389 WeakPolarHBondContact OH-CG2 3.15Å
232Q95.1Very high95Very high27 Ų2725.6 Ų25.613%0.12614%0.142CC..Hα-helixtrans-70.5-40.6173.4-170.657.557.600110.7R201 G229 L230 L234 E235 D236 K350R201-Q232 VanDerWaalsContact NH2-NE2 3.19Å; G229-Q232 PolarHBondContact O-N 3.32Å; L230-Q232 VanDerWaalsContact C-N 3.33Å; L230-Q232 PolarHBondContact O-N 3.01Å; Q232-L234 VanDerWaalsContact C-N 3.28Å; Q232-L234 PolarHBondContact O-N 3.32Å; Q232-E235 PolarHBondContact NE2-OE2 3.5Å; Q232-E235 PolarHBondContact O-N 3.4Å; Q232-E235 VanDerWaalsContact O-N 3.15Å; Q232-D236 PolarHBondContact NE2-OD1 3.42Å; Q232-D236 VanDerWaalsContact O-CG 3.26Å; Q232-D236 PolarHBondContact O-N 2.78Å; Q232-K350 VanDerWaalsContact OE1-CE 3.32Å
233A96.6Very high95.3Very high0 Ų024.2 Ų24.20%014%0.135CC..Hα-helixtrans-61.4-34.9177.400000113M169 F198 Q200 G229 L230 E235 N237M169-A233 HydrophobicContact SD-CB 4.35Å; F198-A233 HydrophobicContact CD2-CB 3.97Å; F198-A233 HydrophobicContact CE2-CB 3.76Å; Q200-A233 HydrophobicContact CB-CB 4.19Å; G229-A233 PolarHBondContact O-N 3.39Å; L230-A233 CarbonylContact O-C 3.53Å; L230-A233 WeakPolarHBondContact O-CB 3.12Å; L230-A233 PolarHBondContact O-N 3.45Å; L230-A233 VanDerWaalsContact O-N 3.13Å; A233-E235 VanDerWaalsContact C-N 3.34Å; A233-N237 WeakPolarHBondContact O-CB 3.23Å; A233-N237 PolarHBondContact O-N 2.87Å; A233-N237 PolarHBondContact O-ND2 3.35Å
234L98.1Very high95.8Very high0 Ų029.2 Ų29.20%016%0.158CC..Hα-helixtrans-61.5-41.1175.1-74.6175.5000112.1L110 F198 L230 Q232 G238 V239 L240 M243 L342 V346L110-L234 HydrophobicContact CD1-CD2 3.86Å; F198-L234 HydrophobicContact CE2-CD2 4.4Å; F198-L234 HydrophobicContact CZ-CD2 4.17Å; L230-L234 HydrophobicContact CD1-CD1 4.19Å; L230-L234 HydrophobicContact CD1-CD2 4.13Å; L230-L234 HydrophobicContact CD1-CG 3.88Å; L230-L234 HydrophobicContact CG-CD1 4.07Å; L230-L234 HydrophobicContact CG-CG 4.2Å; L230-L234 VanDerWaalsContact O-CG 3.29Å; L230-L234 WeakPolarHBondContact O-CG 3.35Å; L230-L234 PolarHBondContact O-N 2.93Å; Q232-L234 VanDerWaalsContact C-N 3.28Å; Q232-L234 PolarHBondContact O-N 3.32Å; L234-G238 PolarHBondContact O-N 3.2Å; L234-V239 HydrophobicContact CD2-CB 3.63Å; L234-V239 HydrophobicContact CD2-CG1 3.43Å; L234-V239 VanDerWaalsContact CD2-CG1 3.43Å; L234-V239 HydrophobicContact CD2-CG2 4.31Å; L234-V239 PolarHBondContact O-N 3.4Å; L234-L240 HydrophobicContact CB-CG 4.26Å; L234-L240 HydrophobicContact CD1-CD2 4.32Å; L234-M243 HydrophobicContact CD2-CE 4.5Å; L234-L342 HydrophobicContact CD1-CD1 4.45Å; L234-L342 HydrophobicContact CD1-CD2 4.12Å; L234-V346 HydrophobicContact CB-CG2 4.37Å
235E95.6Very high96.2Very high81 Ų8136.2 Ų36.238%0.37918%0.18SC..Hα-helixtrans-72.9-50.9178.2-171.1-177.4-113.300111.6Q232 A233 N237 G238 V346 K350Q232-E235 PolarHBondContact NE2-OE2 3.5Å; Q232-E235 PolarHBondContact O-N 3.4Å; Q232-E235 VanDerWaalsContact O-N 3.15Å; A233-E235 VanDerWaalsContact C-N 3.34Å; E235-N237 PolarHBondContact O-N 3.49Å; E235-N237 VanDerWaalsContact O-N 3.13Å; E235-G238 PolarHBondContact O-N 3.05Å; E235-V346 HydrophobicContact CB-CG1 3.69Å; E235-V346 HydrophobicContact CG-CG1 4.04Å; E235-K350 IonicContact OE1-NZ 3.71Å; E235-K350 PolarHBondContact OE1-NZ 3.43Å; E235-K350 VanDerWaalsContact OE1-NZ 3.14Å; E235-K350 IonicContact OE2-NZ 2.78Å; E235-K350 PolarHBondContact OE2-NZ 2.86Å
236D94.7Very high96.7Very high73 Ų7339 Ų3939%0.3919%0.189SC..Hα-helixtrans-58.9-32.1-174.6-69.4-14.9000112.6R201 Q232R201-D236 IonicContact CZ-OD1 3.67Å; R201-D236 IonicContact CZ-OD2 2.79Å; R201-D236 IonicContact NE-OD2 3.61Å; R201-D236 PolarHBondContact NE-OD2 3.46Å; R201-D236 IonicContact NH2-OD1 3.57Å; R201-D236 PolarHBondContact NH2-OD1 2.84Å; R201-D236 IonicContact NH2-OD2 2.72Å; R201-D236 PolarHBondContact NH2-OD2 2.88Å; Q232-D236 PolarHBondContact NE2-OD1 3.42Å; Q232-D236 VanDerWaalsContact O-CG 3.26Å; Q232-D236 PolarHBondContact O-N 2.78Å
237N97.4Very high97.1Very high76 Ų7640.4 Ų40.441%0.40620%0.204SC..THydrogen-bonded Turntrans-1057-174.4-63.1-85.6000113.4F198 E199 A233 E235 V239F198-N237 HydrophobicContact CB-CB 3.82Å; F198-N237 HydrophobicContact CD2-CB 4.4Å; F198-N237 HydrophobicContact CG-CB 4.45Å; E199-N237 PolarHBondContact O-ND2 3.29Å; E199-N237 VanDerWaalsContact O-ND2 3.08Å; A233-N237 WeakPolarHBondContact O-CB 3.23Å; A233-N237 PolarHBondContact O-N 2.87Å; A233-N237 PolarHBondContact O-ND2 3.35Å; E235-N237 PolarHBondContact O-N 3.49Å; E235-N237 VanDerWaalsContact O-N 3.13Å; N237-V239 VanDerWaalsContact C-N 3.28Å; N237-V239 HydrophobicContact CB-CG2 3.91Å; N237-V239 PolarHBondContact O-N 3.41Å
238G97.9Very high97.3Very high29 Ų2938.2 Ų38.230%0.29919%0.192SC..THydrogen-bonded Turntrans63.130.5177.600000114.3L234 E235 E241 D242L234-G238 PolarHBondContact O-N 3.2Å; E235-G238 PolarHBondContact O-N 3.05Å; G238-E241 WeakPolarHBondContact CA-OE2 3.23Å; G238-D242 PolarHBondContact O-N 2.7Å; G238-D242 VanDerWaalsContact O-N 3.16Å
239V98.6Very high97.5Very high2 Ų241.3 Ų41.31%0.01221%0.206CC..Hα-helixtrans-74-36.8-172.2178.40000111Y167 F198 L234 N237 E241 D242 M243Y167-V239 HydrophobicContact CD1-CG1 3.53Å; Y167-V239 HydrophobicContact CE1-CG1 3.78Å; Y167-V239 HydrophobicContact CG-CG1 4.21Å; F198-V239 HydrophobicContact CB-CG2 4.22Å; F198-V239 HydrophobicContact CD1-CG2 3.94Å; F198-V239 HydrophobicContact CD2-CG2 3.94Å; F198-V239 HydrophobicContact CE1-CG2 4.29Å; F198-V239 HydrophobicContact CE2-CG2 4.26Å; F198-V239 HydrophobicContact CG-CG2 3.76Å; F198-V239 HydrophobicContact CZ-CG2 4.43Å; L234-V239 HydrophobicContact CD2-CB 3.63Å; L234-V239 HydrophobicContact CD2-CG1 3.43Å; L234-V239 VanDerWaalsContact CD2-CG1 3.43Å; L234-V239 HydrophobicContact CD2-CG2 4.31Å; L234-V239 PolarHBondContact O-N 3.4Å; N237-V239 VanDerWaalsContact C-N 3.28Å; N237-V239 HydrophobicContact CB-CG2 3.91Å; N237-V239 PolarHBondContact O-N 3.41Å; V239-E241 VanDerWaalsContact C-N 3.3Å; V239-E241 PolarHBondContact O-N 3.43Å; V239-D242 PolarHBondContact O-N 3Å; V239-M243 HydrophobicContact CG1-CE 3.86Å; V239-M243 WeakPolarHBondContact O-CG 3.4Å; V239-M243 PolarHBondContact O-N 2.82Å
240L98.1Very high97.8Very high3 Ų342.3 Ų42.32%0.01621%0.21CC..Hα-helixtrans-66.1-35.7177.4-69.3178000111.7L234 M243 E244 L342 V346L234-L240 HydrophobicContact CB-CG 4.26Å; L234-L240 HydrophobicContact CD1-CD2 4.32Å; L240-M243 HydrophobicContact CD2-SD 4.09Å; L240-M243 WeakPolarHBondContact O-CB 3.32Å; L240-M243 PolarHBondContact O-N 2.86Å; L240-E244 WeakPolarHBondContact O-CB 3.35Å; L240-E244 PolarHBondContact O-N 2.99Å; L240-L342 HydrophobicContact CD2-CB 3.82Å; L240-L342 HydrophobicContact CD2-CD1 4.32Å; L240-V346 HydrophobicContact CD1-CB 4.06Å; L240-V346 HydrophobicContact CD1-CG1 4.35Å; L240-V346 HydrophobicContact CD1-CG2 3.81Å
241E98.4Very high97.8Very high93 Ų9342.3 Ų42.344%0.43521%0.21SC..Hα-helixtrans-69-37.4175.6-64.775.5-172.300111.3G238 V239 R245G238-E241 WeakPolarHBondContact CA-OE2 3.23Å; V239-E241 VanDerWaalsContact C-N 3.3Å; V239-E241 PolarHBondContact O-N 3.43Å; E241-R245 WeakPolarHBondContact O-CB 3.47Å; E241-R245 PolarHBondContact O-N 2.95Å
242D98.8Very high97.9Very high13 Ų1342.3 Ų42.37%0.0721%0.21CC..Hα-helixtrans-66.1-43.1171.1178.384.1000111.8Y167 G238 V239 E244 R245 R246Y167-D242 WeakPolarHBondContact CE1-OD2 3.36Å; Y167-D242 VanDerWaalsContact CZ-OD2 3.24Å; Y167-D242 PolarHBondContact OH-OD2 3.14Å; G238-D242 PolarHBondContact O-N 2.7Å; G238-D242 VanDerWaalsContact O-N 3.16Å; V239-D242 PolarHBondContact O-N 3Å; D242-E244 PolarHBondContact O-N 3.47Å; D242-R245 PolarHBondContact O-N 2.89Å; D242-R245 IonicContact OD1-CZ 3.48Å; D242-R245 IonicContact OD1-NH2 2.82Å; D242-R245 PolarHBondContact OD1-NH2 3.42Å; D242-R246 VanDerWaalsContact CG-NE 3.28Å; D242-R246 WeakPolarHBondContact O-CB 3.31Å; D242-R246 VanDerWaalsContact O-CG 3.3Å; D242-R246 WeakPolarHBondContact O-CG 3.38Å; D242-R246 PolarHBondContact O-N 3.43Å; D242-R246 IonicContact OD1-CZ 3.31Å; D242-R246 IonicContact OD1-NE 3.71Å; D242-R246 PolarHBondContact OD1-NE 3.48Å; D242-R246 IonicContact OD1-NH2 3.12Å; D242-R246 PolarHBondContact OD1-NH2 2.92Å; D242-R246 WeakPolarHBondContact OD2-CD 3.45Å; D242-R246 IonicContact OD2-CZ 2.88Å; D242-R246 IonicContact OD2-NE 2.67Å; D242-R246 PolarHBondContact OD2-NE 2.78Å; D242-R246 IonicContact OD2-NH2 3.18Å
243M98.7Very high98.1Very high0 Ų041 Ų410%020%0.204CC..Hα-helixtrans-58-47174-73.5175.4179.400111.5L110 Y167 L234 V239 L240 R246 G247 V248 V251L110-M243 HydrophobicContact CD1-CE 4.02Å; Y167-M243 HydrophobicContact CD1-CE 4.43Å; Y167-M243 HydrophobicContact CD2-CE 3.63Å; Y167-M243 HydrophobicContact CE1-CG 4.28Å; Y167-M243 HydrophobicContact CE2-CE 3.71Å; Y167-M243 HydrophobicContact CE2-CG 3.69Å; Y167-M243 HydrophobicContact CG-CE 4Å; Y167-M243 WeakPolarHBondContact OH-CG 3.23Å; Y167-M243 PolarHBondContact OH-N 3.14Å; L234-M243 HydrophobicContact CD2-CE 4.5Å; V239-M243 HydrophobicContact CG1-CE 3.86Å; V239-M243 WeakPolarHBondContact O-CG 3.4Å; V239-M243 PolarHBondContact O-N 2.82Å; L240-M243 HydrophobicContact CD2-SD 4.09Å; L240-M243 WeakPolarHBondContact O-CB 3.32Å; L240-M243 PolarHBondContact O-N 2.86Å; M243-R246 PolarHBondContact O-N 3.03Å; M243-G247 PolarHBondContact O-N 2.92Å; M243-V248 HydrophobicContact CB-CB 4.02Å; M243-V248 HydrophobicContact CB-CG1 4.38Å; M243-V248 HydrophobicContact CG-CB 4.4Å; M243-V248 HydrophobicContact CG-CG1 4.36Å; M243-V248 WeakPolarHBondContact O-CB 3.48Å; M243-V248 PolarHBondContact O-N 3.22Å; M243-V251 HydrophobicContact CE-CG1 4.04Å; M243-V251 HydrophobicContact CE-CG2 3.96Å; M243-V251 HydrophobicContact SD-CG2 3.82Å
244E98.5Very high98.2Very high107 Ų10741 Ų4150%0.520%0.204SC..Hα-helixtrans-61.7-47.6177.6-179.4162.4-113.300112.1L240 D242 R246 G247 R339L240-E244 WeakPolarHBondContact O-CB 3.35Å; L240-E244 PolarHBondContact O-N 2.99Å; D242-E244 PolarHBondContact O-N 3.47Å; E244-R246 PolarHBondContact O-N 2.92Å; E244-G247 PolarHBondContact O-N 3.17Å; E244-R339 IonicContact OE1-CZ 3.92Å; E244-R339 IonicContact OE1-NH1 2.97Å; E244-R339 PolarHBondContact OE1-NH1 3.36Å; E244-R339 IonicContact OE1-NH2 2.59Å
245R98.5Very high98.1Very high178 Ų17842 Ų4267%0.67221%0.211SC*.Hα-helixtrans-57.6-34.3177177.9177.360.8-108.111.5112.5E241 D242 G247E241-R245 WeakPolarHBondContact O-CB 3.47Å; E241-R245 PolarHBondContact O-N 2.95Å; D242-R245 PolarHBondContact O-N 2.89Å; D242-R245 IonicContact OD1-CZ 3.48Å; D242-R245 IonicContact OD1-NH2 2.82Å; D242-R245 PolarHBondContact OD1-NH2 3.42Å; R245-G247 VanDerWaalsContact C-N 3.33Å
246R98.4Very high98.1Very high77 Ų7738.6 Ų38.629%0.29120%0.195SC..THydrogen-bonded Turntrans-83.3-6.5178.8-69.1175.3-173.1-97.72.7113.8S193 N194 D242 M243 E244 V248S193-R246 PolarHBondContact O-NH1 2.95Å; S193-R246 PolarHBondContact O-NH2 3.36Å; N194-R246 PolarHBondContact OD1-NH1 2.84Å; D242-R246 VanDerWaalsContact CG-NE 3.28Å; D242-R246 WeakPolarHBondContact O-CB 3.31Å; D242-R246 VanDerWaalsContact O-CG 3.3Å; D242-R246 WeakPolarHBondContact O-CG 3.38Å; D242-R246 PolarHBondContact O-N 3.43Å; D242-R246 IonicContact OD1-CZ 3.31Å; D242-R246 IonicContact OD1-NE 3.71Å; D242-R246 PolarHBondContact OD1-NE 3.48Å; D242-R246 IonicContact OD1-NH2 3.12Å; D242-R246 PolarHBondContact OD1-NH2 2.92Å; D242-R246 WeakPolarHBondContact OD2-CD 3.45Å; D242-R246 IonicContact OD2-CZ 2.88Å; D242-R246 IonicContact OD2-NE 2.67Å; D242-R246 PolarHBondContact OD2-NE 2.78Å; D242-R246 IonicContact OD2-NH2 3.18Å; M243-R246 PolarHBondContact O-N 3.03Å; E244-R246 PolarHBondContact O-N 2.92Å; R246-V248 VanDerWaalsContact C-N 3.31Å; R246-V248 HydrophobicContact CB-CG2 4.08Å
247G98.4Very high98.1Very high39 Ų3935.6 Ų35.640%0.40218%0.179SC..THydrogen-bonded Turntrans74.120.6-175.800000113.9M243 E244 R245 E249M243-G247 PolarHBondContact O-N 2.92Å; E244-G247 PolarHBondContact O-N 3.17Å; R245-G247 VanDerWaalsContact C-N 3.33Å; G247-E249 PolarHBondContact O-N 3.06Å
248V98.8Very high98.1Very high0 Ų032 Ų320%016%0.16CC..  trans-69.1125.3175.2174.70000109A108 P165 M243 R246 V251 R339A108-V248 HydrophobicContact CB-CB 4.48Å; A108-V248 HydrophobicContact CB-CG1 3.63Å; A108-V248 HydrophobicContact CB-CG2 3.97Å; P165-V248 HydrophobicContact CG-CG2 4.1Å; M243-V248 HydrophobicContact CB-CB 4.02Å; M243-V248 HydrophobicContact CB-CG1 4.38Å; M243-V248 HydrophobicContact CG-CB 4.4Å; M243-V248 HydrophobicContact CG-CG1 4.36Å; M243-V248 WeakPolarHBondContact O-CB 3.48Å; M243-V248 PolarHBondContact O-N 3.22Å; R246-V248 VanDerWaalsContact C-N 3.31Å; R246-V248 HydrophobicContact CB-CG2 4.08Å; V248-V251 HydrophobicContact CG1-CG2 4.14Å; V248-R339 VanDerWaalsContact O-CD 3.24Å; V248-R339 WeakPolarHBondContact O-CD 3.14Å; V248-R339 PolarHBondContact O-NE 2.89Å; V248-R339 VanDerWaalsContact O-NE 3.14Å
249E98.8Very high98.1Very high67 Ų6730.8 Ų30.831%0.31315%0.147SC..  trans-107.8-30.8175.9-68.2179-176.400111.4R106 G247 T338 R339R106-E249 HydrophobicContact CB-CB 4.29Å; R106-E249 HydrophobicContact CB-CG 4.48Å; R106-E249 WeakPolarHBondContact CD-OE2 3.36Å; R106-E249 HydrophobicContact CG-CG 4.3Å; R106-E249 IonicContact CZ-OE1 3.54Å; R106-E249 IonicContact CZ-OE2 2.72Å; R106-E249 IonicContact NE-OE1 2.83Å; R106-E249 PolarHBondContact NE-OE1 3.47Å; R106-E249 IonicContact NE-OE2 2.9Å; R106-E249 VanDerWaalsContact NH1-CD 3.34Å; R106-E249 IonicContact NH1-OE1 3.19Å; R106-E249 PolarHBondContact NH1-OE1 3.09Å; R106-E249 VanDerWaalsContact NH1-OE1 3.12Å; R106-E249 IonicContact NH1-OE2 3.14Å; R106-E249 PolarHBondContact NH1-OE2 2.87Å; R106-E249 IonicContact NH2-OE1 3.49Å; R106-E249 PolarHBondContact O-N 3.29Å; G247-E249 PolarHBondContact O-N 3.06Å; E249-T338 CarbonylContact O-C 3.56Å; E249-T338 WeakPolarHBondContact O-CA 3.35Å; E249-R339 PolarHBondContact O-N 3.27Å
250F98.9Very high98.1Very high22 Ų2230.7 Ų30.710%0.09615%0.146CC..EExtended strand (participates in β ladder)trans-126.7133.4-172-49.3-59.8000111.3Q101 R106 V107 A108 V273 F336 T338Q101-F250 HydrophobicContact CB-CD2 4.13Å; Q101-F250 HydrophobicContact CB-CE2 4.12Å; Q101-F250 HydrophobicContact CG-CD2 4.22Å; Q101-F250 HydrophobicContact CG-CE2 3.76Å; R106-F250 HydrophobicContact CB-CD2 4.27Å; R106-F250 HydrophobicContact CB-CE2 4.41Å; R106-F250 PolarHBondContact O-N 3.12Å; V107-F250 WeakPolarHBondContact CA-O 3.24Å; V107-F250 HydrophobicContact CG2-CB 4.4Å; V107-F250 HydrophobicContact CG2-CD2 4.3Å; A108-F250 PolarHBondContact N-O 3.06Å; F250-V273 HydrophobicContact CD1-CG2 4.16Å; F250-V273 HydrophobicContact CD2-CG2 4.22Å; F250-V273 HydrophobicContact CE1-CG2 3.76Å; F250-V273 HydrophobicContact CE2-CG2 3.86Å; F250-V273 HydrophobicContact CG-CG2 4.36Å; F250-V273 HydrophobicContact CZ-CG2 3.61Å; F250-F336 HydrophobicContact CB-CE2 3.65Å; F250-F336 HydrophobicContact CB-CZ 4.06Å; F250-F336 HydrophobicContact CD1-CE1 4.28Å; F250-F336 AromaticContact CD1-CE2 3.75Å; F250-F336 HydrophobicContact CD1-CE2 3.75Å; F250-F336 AromaticContact CD1-CZ 3.27Å; F250-F336 HydrophobicContact CD1-CZ 3.27Å; F250-F336 AromaticContact CE1-CZ 3.97Å; F250-F336 HydrophobicContact CE1-CZ 3.97Å; F250-F336 AromaticContact CG-CE2 3.85Å; F250-F336 HydrophobicContact CG-CE2 3.85Å; F250-F336 AromaticContact CG-CZ 3.88Å; F250-F336 HydrophobicContact CG-CZ 3.88Å; F250-T338 HydrophobicContact CD1-CG2 4.14Å; F250-T338 HydrophobicContact CE1-CG2 4.21Å
251V98.9Very high98.1Very high0 Ų030.6 Ų30.60%015%0.146CC..EExtended strand (participates in β ladder)trans-122.5117.4-177.9-168.10000109A108 L110 M243 V248 I253 F336 F337 L342A108-V251 WeakPolarHBondContact O-CA 3.47Å; L110-V251 HydrophobicContact CB-CG1 3.71Å; L110-V251 HydrophobicContact CD1-CG1 4.44Å; M243-V251 HydrophobicContact CE-CG1 4.04Å; M243-V251 HydrophobicContact CE-CG2 3.96Å; M243-V251 HydrophobicContact SD-CG2 3.82Å; V248-V251 HydrophobicContact CG1-CG2 4.14Å; V251-I253 HydrophobicContact CG1-CD1 4.35Å; V251-I253 HydrophobicContact CG1-CG1 3.96Å; V251-F336 WeakPolarHBondContact O-CA 3.34Å; V251-F337 PolarHBondContact N-O 3.41Å; V251-F337 PolarHBondContact O-N 3.15Å; V251-L342 HydrophobicContact CB-CD1 4.15Å; V251-L342 HydrophobicContact CG2-CD1 3.81Å
252H98.9Very high98.1Very high1 Ų126.8 Ų26.81%0.00513%0.128CC..EExtended strand (participates in β ladder)trans-89.1106.1169.7175.5-168.3000109.1A108 V109 L110 K262 A264 N334 H335A108-H252 PolarHBondContact O-N 3.5Å; V109-H252 CarbonylContact C-O 3.57Å; V109-H252 VanDerWaalsContact CA-O 3.31Å; V109-H252 WeakPolarHBondContact CA-O 3.31Å; V109-H252 HydrophobicContact CG1-CB 4.16Å; L110-H252 PolarHBondContact N-O 2.97Å; H252-K262 PolarHBondContact CE1-O 3.35Å; H252-A264 PolarHBondContact ND1-N 3.42Å; H252-N334 PolarHBondContact NE2-OD1 3.46Å; H252-H335 CarbonylContact C-O 3.55Å; H252-H335 WeakPolarHBondContact CA-O 3.25Å
253I98.8Very high98.1Very high0 Ų026.2 Ų26.20%013%0.125CC..EExtended strand (participates in β ladder)trans-92.5133.5178.8-50.5-147.8000109.9L110 L112 L230 V251 N334 H335 F337 V386L110-I253 HydrophobicContact CB-CD1 4.23Å; L110-I253 HydrophobicContact CB-CG1 4.06Å; L110-I253 HydrophobicContact CD1-CD1 4.26Å; L110-I253 HydrophobicContact CD2-CD1 4.31Å; L110-I253 HydrophobicContact CD2-CG2 4.16Å; L110-I253 HydrophobicContact CG-CD1 4.49Å; L110-I253 CarbonylContact O-C 3.56Å; L110-I253 VanDerWaalsContact O-CA 3.29Å; L110-I253 WeakPolarHBondContact O-CA 3.32Å; L112-I253 HydrophobicContact CD1-CG2 3.94Å; L112-I253 HydrophobicContact CD2-CG2 4.12Å; L112-I253 HydrophobicContact CG-CG2 3.98Å; L230-I253 HydrophobicContact CD2-CD1 3.58Å; V251-I253 HydrophobicContact CG1-CD1 4.35Å; V251-I253 HydrophobicContact CG1-CG1 3.96Å; I253-N334 CarbonylContact O-C 3.15Å; I253-N334 WeakPolarHBondContact O-CA 3.49Å; I253-H335 HydrophobicContact CB-CB 4.41Å; I253-H335 PolarHBondContact N-O 2.9Å; I253-H335 PolarHBondContact O-N 2.89Å; I253-F337 HydrophobicContact CD1-CD2 3.39Å; I253-F337 HydrophobicContact CD1-CE2 3.62Å; I253-F337 HydrophobicContact CG1-CD2 3.79Å; I253-F337 HydrophobicContact CG1-CE2 4.08Å; I253-V386 HydrophobicContact CG2-CG2 4.36Å
254Y98.7Very high98.1Very high0 Ų026.2 Ų26.20%013%0.125CC..EExtended strand (participates in β ladder)trans-149.1162.7-179.875.6-73.9000113.6V109 L110 L111 L112 Q143 W166 V261 M263 C333V109-Y254 HydrophobicContact CB-CE1 4.27Å; L110-Y254 WeakPolarHBondContact O-CD1 3.38Å; L110-Y254 PolarHBondContact O-N 3.05Å; L111-Y254 HydrophobicContact CB-CE1 3.74Å; L111-Y254 HydrophobicContact CD1-CD2 4.07Å; L111-Y254 HydrophobicContact CD1-CE1 4.1Å; L111-Y254 HydrophobicContact CD1-CE2 3.47Å; L111-Y254 VanDerWaalsContact CD1-CE2 3.47Å; L111-Y254 VanDerWaalsContact CD1-CZ 3.46Å; L111-Y254 HydrophobicContact CG-CE1 4.47Å; L111-Y254 HydrophobicContact CG-CE2 4.49Å; L112-Y254 PolarHBondContact N-O 2.84Å; Q143-Y254 HydrophobicContact CG-CE2 4.38Å; Q143-Y254 PolarHBondContact OE1-OH 2.77Å; W166-Y254 VanDerWaalsContact CZ2-OH 3.32Å; W166-Y254 WeakPolarHBondContact CZ2-OH 3.21Å; W166-Y254 PolarHBondContact NE1-OH 2.96Å; W166-Y254 VanDerWaalsContact NE1-OH 3.08Å; Y254-V261 HydrophobicContact CD2-CB 4.34Å; Y254-V261 HydrophobicContact CD2-CG1 4.19Å; Y254-V261 HydrophobicContact CD2-CG2 3.67Å; Y254-V261 HydrophobicContact CE2-CG1 4.12Å; Y254-V261 HydrophobicContact CE2-CG2 4.31Å; Y254-V261 HydrophobicContact CG-CG2 4.05Å; Y254-M263 HydrophobicContact CD1-CE 4.48Å; Y254-M263 HydrophobicContact CD1-SD 4.48Å; Y254-M263 HydrophobicContact CD2-SD 4.3Å; Y254-M263 HydrophobicContact CE1-CE 3.56Å; Y254-M263 HydrophobicContact CE1-SD 3.94Å; Y254-M263 HydrophobicContact CE2-CE 4.21Å; Y254-M263 HydrophobicContact CE2-SD 3.71Å; Y254-M263 VanDerWaalsContact CZ-SD 3.51Å; Y254-M263 WeakPolarHBondContact OH-CE 3.25Å; Y254-C333 VanDerWaalsContact CA-O 3.27Å; Y254-C333 WeakPolarHBondContact CA-O 3.2Å
255C96Very high98.1Very high21 Ų2121.1 Ų21.114%0.14210%0.101CC..EExtended strand (participates in β ladder)trans-91.2142.5175.4-164.20000112.6D257 C333C255-D257 PolarHBondContact O-N 3.46Å; C255-C333 HydrophobicContact CB-CB 4.07Å; C255-C333 PolarHBondContact N-O 2.99Å
256V96.1Very high98.1Very high9 Ų912.7 Ų12.76%0.0557%0.069CC..THydrogen-bonded Turntrans-58.1-24.4-176.374.20000114.6L111 L112 A113 K126 Y140 Q143L111-V256 VanDerWaalsContact CD1-CA 3.43Å; L111-V256 HydrophobicContact CD1-CB 3.67Å; L111-V256 HydrophobicContact CD1-CG2 4.07Å; L111-V256 HydrophobicContact CD2-CG2 4.24Å; L112-V256 PolarHBondContact O-N 3.39Å; A113-V256 HydrophobicContact CB-CB 4.41Å; A113-V256 HydrophobicContact CB-CG2 4.44Å; K126-V256 HydrophobicContact CB-CG1 4.05Å; K126-V256 HydrophobicContact CD-CG1 4.13Å; K126-V256 HydrophobicContact CG-CG1 4.47Å; Y140-V256 HydrophobicContact CE1-CG2 4.2Å; Q143-V256 PolarHBondContact NE2-O 2.88Å; Q143-V256 VanDerWaalsContact NE2-O 3.1Å
257D94.4Very high98.1Very high10 Ų109.7 Ų9.75%0.0536%0.059CC..THydrogen-bonded Turntrans-94.71.3-16161.721.1000116.5K126 C255 P409 L410 K411K126-D257 HydrophobicContact CD-CB 3.4Å; K126-D257 VanDerWaalsContact CD-CB 3.4Å; K126-D257 IonicContact NZ-OD2 3.49Å; K126-D257 PolarHBondContact NZ-OD2 3.49Å; C255-D257 PolarHBondContact O-N 3.46Å; D257-P409 CarbonylContact O-C 3.56Å; D257-P409 WeakPolarHBondContact O-CA 3.43Å; D257-L410 HydrophobicContact CB-CB 4.46Å; D257-L410 WeakPolarHBondContact CB-O 3.28Å; D257-L410 PolarHBondContact O-N 2.99Å; D257-K411 IonicContact OD1-NZ 3.7Å; D257-K411 PolarHBondContact OD1-NZ 2.98Å; D257-K411 VanDerWaalsContact OD2-CD 3.25Å; D257-K411 WeakPolarHBondContact OD2-CD 3.47Å; D257-K411 WeakPolarHBondContact OD2-CE 3.48Å; D257-K411 IonicContact OD2-NZ 2.78Å; D257-K411 PolarHBondContact OD2-NZ 2.98Å
258N97.6Very high98.2Very high2 Ų27.9 Ų7.91%0.0114%0.04CC..BIsolated β-bridgetrans-90.7110.6174.2179.114.6000110.7L260 V261 E406 S408N258-L260 PolarHBondContact O-N 2.75Å; N258-L260 PolarHBondContact OD1-N 2.85Å; N258-V261 HydrophobicContact CB-CB 4.25Å; N258-V261 VanDerWaalsContact O-CG1 3.23Å; N258-V261 WeakPolarHBondContact O-CG1 3.5Å; N258-V261 PolarHBondContact O-N 2.81Å; N258-E406 PolarHBondContact ND2-O 3Å; N258-S408 PolarHBondContact OD1-N 2.69Å; N258-S408 PolarHBondContact OD1-O 3.36Å
259I98.3Very high98.2Very high2 Ų27.9 Ų7.91%0.014%0.04CC..THydrogen-bonded Turntrans-68.5-23.7178.8-163.1169.9000112.7V131 L133 L139 I142 R146 S408 A424 L428V131-I259 HydrophobicContact CG2-CD1 3.58Å; L133-I259 HydrophobicContact CD1-CD1 4.36Å; L139-I259 HydrophobicContact CD2-CB 4Å; L139-I259 HydrophobicContact CD2-CD1 4.23Å; L139-I259 HydrophobicContact CD2-CG1 3.86Å; I142-I259 HydrophobicContact CD1-CD1 4.3Å; I142-I259 HydrophobicContact CD1-CG1 4.08Å; R146-I259 PolarHBondContact NH1-O 2.82Å; R146-I259 PolarHBondContact NH2-O 2.71Å; R146-I259 VanDerWaalsContact NH2-O 3.12Å; I259-S408 PolarHBondContact N-O 3.34Å; I259-A424 HydrophobicContact CB-CB 4.47Å; I259-A424 HydrophobicContact CG2-CB 4.01Å; I259-A424 WeakPolarHBondContact CG2-O 3.32Å; I259-L428 HydrophobicContact CD1-CB 4.2Å; I259-L428 HydrophobicContact CD1-CD2 3.96Å; I259-L428 HydrophobicContact CG1-CB 4.46Å; I259-L428 HydrophobicContact CG1-CD2 4.1Å; I259-L428 HydrophobicContact CG2-CB 4.48Å
260L98.6Very high98.2Very high1 Ų14.7 Ų4.71%0.0053%0.025CC..THydrogen-bonded Turntrans-926.7-179.2-60.1-173000113.4N258 K262 A427 L428N258-L260 PolarHBondContact O-N 2.75Å; N258-L260 PolarHBondContact OD1-N 2.85Å; L260-K262 PolarHBondContact O-N 3.29Å; L260-A427 HydrophobicContact CD1-CB 4.23Å; L260-L428 HydrophobicContact CD2-CB 4.03Å; L260-L428 HydrophobicContact CD2-CD1 3.63Å; L260-L428 HydrophobicContact CD2-CG 4.46Å
261V98.6Very high98.2Very high0 Ų03.7 Ų3.70%02%0.021CC..  trans-57.5122.7-176.163.20000112.7Q143 R146 Y254 N258 M263 N334Q143-V261 HydrophobicContact CG-CG1 3.93Å; R146-V261 VanDerWaalsContact CD-O 3.31Å; R146-V261 WeakPolarHBondContact CD-O 3.4Å; R146-V261 PolarHBondContact NH1-O 3.39Å; Y254-V261 HydrophobicContact CD2-CB 4.34Å; Y254-V261 HydrophobicContact CD2-CG1 4.19Å; Y254-V261 HydrophobicContact CD2-CG2 3.67Å; Y254-V261 HydrophobicContact CE2-CG1 4.12Å; Y254-V261 HydrophobicContact CE2-CG2 4.31Å; Y254-V261 HydrophobicContact CG-CG2 4.05Å; N258-V261 HydrophobicContact CB-CB 4.25Å; N258-V261 VanDerWaalsContact O-CG1 3.23Å; N258-V261 WeakPolarHBondContact O-CG1 3.5Å; N258-V261 PolarHBondContact O-N 2.81Å; V261-M263 HydrophobicContact CG1-CG 4.36Å; V261-M263 HydrophobicContact CG1-SD 3.76Å; V261-M263 HydrophobicContact CG2-SD 4.05Å; V261-M263 PolarHBondContact O-N 2.93Å; V261-N334 WeakPolarHBondContact CG2-OD1 2.99Å
262K98.4Very high98.2Very high14 Ų143.7 Ų3.76%0.0612%0.021CC..  trans-83.789.8177.4-165.8174.2178.3-1570110.1H252 L260 A264 D265 Y475 F476H252-K262 PolarHBondContact CE1-O 3.35Å; L260-K262 PolarHBondContact O-N 3.29Å; K262-A264 PolarHBondContact O-N 3.08Å; K262-D265 HydrophobicContact CB-CB 4.09Å; K262-D265 HydrophobicContact CD-CB 4Å; K262-D265 WeakPolarHBondContact CD-OD1 3.2Å; K262-D265 WeakPolarHBondContact CE-OD1 3.45Å; K262-D265 HydrophobicContact CG-CB 3.82Å; K262-D265 IonicContact NZ-OD1 3.79Å; K262-D265 PolarHBondContact NZ-OD1 3.22Å; K262-D265 WeakPolarHBondContact O-CB 3.29Å; K262-D265 PolarHBondContact O-N 2.75Å; K262-Y475 HydrophobicContact CD-CE1 4.35Å; K262-Y475 HydrophobicContact CG-CE1 3.83Å; K262-Y475 VanDerWaalsContact CG-OH 3.3Å; K262-Y475 WeakPolarHBondContact CG-OH 3.35Å; K262-F476 HydrophobicContact CB-CD2 4.24Å; K262-F476 HydrophobicContact CB-CE2 3.91Å; K262-F476 HydrophobicContact CB-CZ 4.47Å; K262-F476 HydrophobicContact CD-CD1 3.83Å; K262-F476 HydrophobicContact CD-CD2 3.68Å; K262-F476 HydrophobicContact CD-CE1 3.86Å; K262-F476 HydrophobicContact CD-CE2 3.73Å; K262-F476 HydrophobicContact CD-CG 3.73Å; K262-F476 HydrophobicContact CD-CZ 3.81Å; K262-F476 HydrophobicContact CG-CD2 3.68Å; K262-F476 HydrophobicContact CG-CE2 3.82Å; K262-F476 HydrophobicContact CG-CG 4.15Å; K262-F476 HydrophobicContact CG-CZ 4.38Å
263M98.4Very high98.1Very high0 Ų05.2 Ų5.20%03%0.03CC..THydrogen-bonded Turntrans-62.3125.2-170.3-67.2-59.5-67.100113.1V109 Q143 R146 I147 Y254 V261 D265 Y475V109-M263 HydrophobicContact CB-CE 4.23Å; V109-M263 HydrophobicContact CG1-CE 4.26Å; V109-M263 HydrophobicContact CG2-CE 4.01Å; Q143-M263 HydrophobicContact CB-CE 4.19Å; Q143-M263 HydrophobicContact CB-CG 4.27Å; Q143-M263 HydrophobicContact CB-SD 4.07Å; Q143-M263 HydrophobicContact CG-CG 4.43Å; Q143-M263 HydrophobicContact CG-SD 3.97Å; R146-M263 HydrophobicContact CB-CB 3.72Å; R146-M263 HydrophobicContact CB-CG 3.68Å; R146-M263 HydrophobicContact CG-CG 4.47Å; I147-M263 HydrophobicContact CD1-CE 3.7Å; I147-M263 HydrophobicContact CG1-CB 4.22Å; I147-M263 HydrophobicContact CG1-CE 3.79Å; Y254-M263 HydrophobicContact CD1-CE 4.48Å; Y254-M263 HydrophobicContact CD1-SD 4.48Å; Y254-M263 HydrophobicContact CD2-SD 4.3Å; Y254-M263 HydrophobicContact CE1-CE 3.56Å; Y254-M263 HydrophobicContact CE1-SD 3.94Å; Y254-M263 HydrophobicContact CE2-CE 4.21Å; Y254-M263 HydrophobicContact CE2-SD 3.71Å; Y254-M263 VanDerWaalsContact CZ-SD 3.51Å; Y254-M263 WeakPolarHBondContact OH-CE 3.25Å; V261-M263 HydrophobicContact CG1-CG 4.36Å; V261-M263 HydrophobicContact CG1-SD 3.76Å; V261-M263 HydrophobicContact CG2-SD 4.05Å; V261-M263 PolarHBondContact O-N 2.93Å; M263-D265 PolarHBondContact O-N 2.93Å; M263-Y475 WeakPolarHBondContact O-CE2 3.44Å; M263-Y475 PolarHBondContact O-OH 3.02Å
264A98.3Very high98.1Very high0 Ų08.2 Ų8.20%06%0.055CC..THydrogen-bonded Turntrans49.942.5-173.500000113.1I102 V107 V109 I150 V164 H252 K262 P266I102-A264 WeakPolarHBondContact CD1-O 3.39Å; V107-A264 HydrophobicContact CG1-CB 4.27Å; V109-A264 HydrophobicContact CG1-CB 3.75Å; I150-A264 HydrophobicContact CG2-CB 4.28Å; V164-A264 HydrophobicContact CG1-CB 3.98Å; H252-A264 PolarHBondContact ND1-N 3.42Å; K262-A264 PolarHBondContact O-N 3.08Å; A264-P266 WeakPolarHBondContact O-CD 3.4Å
265D98.7Very high98.1Very high0 Ų013 Ų130%08%0.076CC..  trans-49.8112.4-176175.725.9000113K262 M263 L267 F268 V269 K282 Y475K262-D265 HydrophobicContact CB-CB 4.09Å; K262-D265 HydrophobicContact CD-CB 4Å; K262-D265 WeakPolarHBondContact CD-OD1 3.2Å; K262-D265 WeakPolarHBondContact CE-OD1 3.45Å; K262-D265 HydrophobicContact CG-CB 3.82Å; K262-D265 IonicContact NZ-OD1 3.79Å; K262-D265 PolarHBondContact NZ-OD1 3.22Å; K262-D265 WeakPolarHBondContact O-CB 3.29Å; K262-D265 PolarHBondContact O-N 2.75Å; M263-D265 PolarHBondContact O-N 2.93Å; D265-L267 PolarHBondContact O-N 3.34Å; D265-L267 WeakPolarHBondContact OD1-CB 3.39Å; D265-L267 PolarHBondContact OD1-N 3.16Å; D265-F268 HydrophobicContact CB-CB 4.07Å; D265-F268 PolarHBondContact O-N 3.07Å; D265-F268 WeakPolarHBondContact OD2-CB 3.42Å; D265-F268 PolarHBondContact OD2-N 3.45Å; D265-F268 VanDerWaalsContact OD2-N 3.14Å; D265-V269 WeakPolarHBondContact O-CG2 3.47Å; D265-V269 PolarHBondContact O-N 3.32Å; D265-K282 IonicContact OD2-NZ 2.99Å; D265-K282 PolarHBondContact OD2-NZ 3.41Å; D265-Y475 WeakPolarHBondContact CA-OH 3.22Å
266P98.5Very high98.2Very high1 Ų114.7 Ų14.71%0.00610%0.096CC..Hα-helixtrans-63.3-32.4-178.925.2-34.2000111.8E95 G98 F99 I102 I150 A264 G270E95-P266 HydrophobicContact CG-CB 4.32Å; E95-P266 HydrophobicContact CG-CG 4.17Å; G98-P266 VanDerWaalsContact CA-O 3.24Å; G98-P266 WeakPolarHBondContact CA-O 3.25Å; F99-P266 HydrophobicContact CD2-CB 3.85Å; F99-P266 HydrophobicContact CD2-CG 4.07Å; F99-P266 HydrophobicContact CE1-CG 4.35Å; F99-P266 HydrophobicContact CE2-CB 3.92Å; F99-P266 HydrophobicContact CE2-CG 3.59Å; F99-P266 HydrophobicContact CG-CB 4.14Å; F99-P266 HydrophobicContact CZ-CB 4.32Å; F99-P266 HydrophobicContact CZ-CG 3.76Å; I102-P266 HydrophobicContact CD1-CB 4.05Å; I150-P266 HydrophobicContact CD1-CG 4.04Å; A264-P266 WeakPolarHBondContact O-CD 3.4Å; P266-G270 PolarHBondContact O-N 3.05Å
267L98.7Very high98.3Very high15 Ų1514.5 Ų14.58%0.07910%0.096CC..Hα-helixtrans-63.9-49.1178.3-173.976.1000110.8V83 L91 W94 E95 D265 F271V83-L267 HydrophobicContact CG2-CD2 3.7Å; L91-L267 HydrophobicContact CB-CD1 4.21Å; L91-L267 HydrophobicContact CD2-CD1 4.08Å; L91-L267 HydrophobicContact CD2-CD2 4.32Å; L91-L267 WeakPolarHBondContact O-CD1 3.14Å; W94-L267 HydrophobicContact CB-CD1 3.99Å; W94-L267 HydrophobicContact CE3-CD1 4.26Å; E95-L267 HydrophobicContact CB-CD1 4.24Å; D265-L267 PolarHBondContact O-N 3.34Å; D265-L267 WeakPolarHBondContact OD1-CB 3.39Å; D265-L267 PolarHBondContact OD1-N 3.16Å; L267-F271 VanDerWaalsContact O-CB 3.25Å; L267-F271 WeakPolarHBondContact O-CB 3.32Å; L267-F271 PolarHBondContact O-N 2.92Å
268F98.8Very high98.5Very high0 Ų014.6 Ų14.60%010%0.097CC..Hα-helixtrans-66.5-44.7179.5-179.4-137.9000113D265 F271 C272 K282 F336 L399D265-F268 HydrophobicContact CB-CB 4.07Å; D265-F268 PolarHBondContact O-N 3.07Å; D265-F268 WeakPolarHBondContact OD2-CB 3.42Å; D265-F268 PolarHBondContact OD2-N 3.45Å; D265-F268 VanDerWaalsContact OD2-N 3.14Å; F268-F271 PolarHBondContact O-N 2.88Å; F268-C272 VanDerWaalsContact CE2-SG 3.5Å; F268-C272 PolarHBondContact O-N 2.89Å; F268-C272 VanDerWaalsContact O-N 3.09Å; F268-C272 PolarHBondContact O-SG 2.91Å; F268-K282 HydrophobicContact CE1-CB 4.25Å; F268-K282 HydrophobicContact CE2-CB 4.25Å; F268-K282 HydrophobicContact CZ-CB 4.09Å; F268-F336 HydrophobicContact CD1-CB 4.47Å; F268-F336 HydrophobicContact CE1-CB 3.71Å; F268-F336 HydrophobicContact CE2-CB 4.3Å; F268-F336 HydrophobicContact CZ-CB 3.6Å; F268-L399 HydrophobicContact CB-CD2 3.88Å; F268-L399 HydrophobicContact CD2-CB 3.86Å; F268-L399 HydrophobicContact CD2-CD2 3.76Å; F268-L399 HydrophobicContact CD2-CG 4.47Å; F268-L399 HydrophobicContact CE2-CB 4.16Å; F268-L399 HydrophobicContact CG-CD2 4.25Å
269V98.9Very high98.6Very high1 Ų114.5 Ų14.51%0.00610%0.096CC..Hα-helixtrans-59.1-51.4175.7169.60000110.1Q101 V107 D265 F271 C272 V273 F336Q101-V269 HydrophobicContact CB-CG1 4.38Å; V107-V269 HydrophobicContact CG1-CG2 4.16Å; V107-V269 HydrophobicContact CG2-CG1 3.9Å; D265-V269 WeakPolarHBondContact O-CG2 3.47Å; D265-V269 PolarHBondContact O-N 3.32Å; V269-F271 PolarHBondContact O-N 3.08Å; V269-C272 PolarHBondContact O-N 3.27Å; V269-V273 HydrophobicContact CG1-CG2 4.34Å; V269-V273 VanDerWaalsContact O-CG2 3.27Å; V269-V273 WeakPolarHBondContact O-CG2 3.45Å; V269-V273 PolarHBondContact O-N 3.46Å; V269-F336 HydrophobicContact CG1-CE2 4.26Å; V269-F336 HydrophobicContact CG2-CD2 4.43Å
270G98.8Very high98.6Very high0 Ų014.4 Ų14.40%010%0.096CC..Hα-helixtrans-67.9-32.8-177.900000113.8W94 P266 V273 A274W94-G270 VanDerWaalsContact O-CA 3.32Å; W94-G270 WeakPolarHBondContact O-CA 3.5Å; P266-G270 PolarHBondContact O-N 3.05Å; G270-V273 PolarHBondContact O-N 3.5Å; G270-A274 WeakPolarHBondContact O-CB 3.42Å; G270-A274 PolarHBondContact O-N 3.15Å
271F98.8Very high98.6Very high1 Ų114.4 Ų14.40%0.00410%0.095CC..Hα-helixtrans-59.3-49.2170.2167-105.5000111.3W94 L267 F268 V269 A274 K275 V397 V398 L399W94-F271 HydrophobicContact CB-CB 4.35Å; W94-F271 HydrophobicContact CD2-CB 3.95Å; W94-F271 AromaticContact CD2-CD2 3.86Å; W94-F271 HydrophobicContact CD2-CD2 3.86Å; W94-F271 HydrophobicContact CD2-CG 4.4Å; W94-F271 AromaticContact CE2-CD2 3.75Å; W94-F271 HydrophobicContact CE3-CB 4.02Å; W94-F271 AromaticContact CE3-CD2 3.89Å; W94-F271 HydrophobicContact CE3-CD2 3.89Å; W94-F271 HydrophobicContact CE3-CG 4.34Å; W94-F271 HydrophobicContact CG-CB 4.07Å; W94-F271 AromaticContact CH2-CD2 3.78Å; W94-F271 HydrophobicContact CH2-CD2 3.78Å; W94-F271 HydrophobicContact CH2-CE2 4.09Å; W94-F271 AromaticContact CZ2-CD2 3.73Å; W94-F271 HydrophobicContact CZ2-CD2 3.73Å; W94-F271 HydrophobicContact CZ2-CE2 4.14Å; W94-F271 AromaticContact CZ3-CD2 3.84Å; W94-F271 HydrophobicContact CZ3-CD2 3.84Å; W94-F271 HydrophobicContact CZ3-CE2 4.46Å; L267-F271 VanDerWaalsContact O-CB 3.25Å; L267-F271 WeakPolarHBondContact O-CB 3.32Å; L267-F271 PolarHBondContact O-N 2.92Å; F268-F271 PolarHBondContact O-N 2.88Å; V269-F271 PolarHBondContact O-N 3.08Å; F271-A274 PolarHBondContact O-N 3.49Å; F271-K275 HydrophobicContact CD2-CG 4.27Å; F271-K275 HydrophobicContact CE2-CG 3.96Å; F271-K275 HydrophobicContact CZ-CG 4.3Å; F271-K275 WeakPolarHBondContact O-CB 3.37Å; F271-K275 VanDerWaalsContact O-CG 3.32Å; F271-K275 WeakPolarHBondContact O-CG 3.49Å; F271-K275 PolarHBondContact O-N 2.93Å; F271-K275 VanDerWaalsContact O-N 3.1Å; F271-V397 HydrophobicContact CD1-CG2 4.14Å; F271-V397 HydrophobicContact CE1-CB 3.69Å; F271-V397 HydrophobicContact CE1-CG2 3.54Å; F271-V397 HydrophobicContact CZ-CB 3.96Å; F271-V397 HydrophobicContact CZ-CG2 4.26Å; F271-V398 WeakPolarHBondContact CZ-O 3.21Å; F271-L399 HydrophobicContact CB-CD2 4.48Å; F271-L399 HydrophobicContact CD1-CB 3.9Å; F271-L399 HydrophobicContact CD1-CD1 4.35Å; F271-L399 HydrophobicContact CD1-CD2 4.47Å; F271-L399 HydrophobicContact CD1-CG 4.47Å; F271-L399 HydrophobicContact CE1-CB 3.97Å; F271-L399 HydrophobicContact CG-CD1 4.3Å
272C98.9Very high98.6Very high0 Ų014.4 Ų14.40%010%0.095CC..Hα-helixtrans-64.2-43179.8-62.90000111.6F268 V269 K275 G276 A277 F336 V397F268-C272 VanDerWaalsContact CE2-SG 3.5Å; F268-C272 PolarHBondContact O-N 2.89Å; F268-C272 VanDerWaalsContact O-N 3.09Å; F268-C272 PolarHBondContact O-SG 2.91Å; V269-C272 PolarHBondContact O-N 3.27Å; C272-K275 PolarHBondContact O-N 3.47Å; C272-G276 PolarHBondContact O-N 3.05Å; C272-A277 HydrophobicContact CB-CB 4.2Å; C272-A277 WeakPolarHBondContact O-CB 3.48Å; C272-A277 PolarHBondContact O-N 3.4Å; C272-F336 HydrophobicContact CB-CB 4.33Å; C272-F336 HydrophobicContact CB-CD1 3.47Å; C272-F336 VanDerWaalsContact CB-CD1 3.47Å; C272-F336 HydrophobicContact CB-CD2 3.81Å; C272-F336 HydrophobicContact CB-CE1 3.53Å; C272-F336 HydrophobicContact CB-CE2 3.82Å; C272-F336 HydrophobicContact CB-CG 3.61Å; C272-F336 HydrophobicContact CB-CZ 3.67Å; C272-V397 HydrophobicContact CB-CG2 4.42Å
273V98.8Very high98.6Very high32 Ų3213.7 Ų13.719%0.1949%0.093CC..Hα-helixtrans-64.3-46.5177.5173.60000111.5E97 Q101 F250 V269 G270 K275 G276 F336E97-V273 HydrophobicContact CG-CB 4.16Å; E97-V273 HydrophobicContact CG-CG1 3.85Å; E97-V273 WeakPolarHBondContact OE1-CG1 3.24Å; Q101-V273 HydrophobicContact CG-CG2 4.34Å; F250-V273 HydrophobicContact CD1-CG2 4.16Å; F250-V273 HydrophobicContact CD2-CG2 4.22Å; F250-V273 HydrophobicContact CE1-CG2 3.76Å; F250-V273 HydrophobicContact CE2-CG2 3.86Å; F250-V273 HydrophobicContact CG-CG2 4.36Å; F250-V273 HydrophobicContact CZ-CG2 3.61Å; V269-V273 HydrophobicContact CG1-CG2 4.34Å; V269-V273 VanDerWaalsContact O-CG2 3.27Å; V269-V273 WeakPolarHBondContact O-CG2 3.45Å; V269-V273 PolarHBondContact O-N 3.46Å; G270-V273 PolarHBondContact O-N 3.5Å; V273-K275 PolarHBondContact O-N 3.12Å; V273-G276 PolarHBondContact O-N 3.1Å; V273-F336 HydrophobicContact CG2-CE2 4.36Å; V273-F336 HydrophobicContact CG2-CZ 4.14Å
274A98.1Very high98.6Very high64 Ų6413.7 Ų13.753%0.5299%0.093SC..Hα-helixtrans-62.5-28.7178.900000112.8G270 F271G270-A274 WeakPolarHBondContact O-CB 3.42Å; G270-A274 PolarHBondContact O-N 3.15Å; F271-A274 PolarHBondContact O-N 3.49Å
275K97.9Very high98.4Very high100 Ų10017.4 Ų17.444%0.43511%0.11SC..THydrogen-bonded Turntrans-86.2-4174.6-68.4-71.6-175.2165.10113.7F271 C272 V273 A277 V397F271-K275 HydrophobicContact CD2-CG 4.27Å; F271-K275 HydrophobicContact CE2-CG 3.96Å; F271-K275 HydrophobicContact CZ-CG 4.3Å; F271-K275 WeakPolarHBondContact O-CB 3.37Å; F271-K275 VanDerWaalsContact O-CG 3.32Å; F271-K275 WeakPolarHBondContact O-CG 3.49Å; F271-K275 PolarHBondContact O-N 2.93Å; F271-K275 VanDerWaalsContact O-N 3.1Å; C272-K275 PolarHBondContact O-N 3.47Å; V273-K275 PolarHBondContact O-N 3.12Å; K275-A277 PolarHBondContact O-N 3.33Å; K275-V397 HydrophobicContact CB-CG1 3.86Å; K275-V397 HydrophobicContact CG-CG1 4.23Å
276G98.3Very high98.2Very high56 Ų5617.8 Ų17.858%0.57711%0.111SC*.THydrogen-bonded Turntrans60.632.1-174.100000112.4C272 V273 S395C272-G276 PolarHBondContact O-N 3.05Å; V273-G276 PolarHBondContact O-N 3.1Å; G276-S395 PolarHBondContact O-OG 2.92Å
277A98.6Very high97.6Very high6 Ų621 Ų215%0.0514%0.139CC..  trans-74.8138.9-178.500000110.9C272 K275 S395 V397C272-A277 HydrophobicContact CB-CB 4.2Å; C272-A277 WeakPolarHBondContact O-CB 3.48Å; C272-A277 PolarHBondContact O-N 3.4Å; K275-A277 PolarHBondContact O-N 3.33Å; A277-S395 WeakPolarHBondContact CA-O 3.33Å; A277-S395 WeakPolarHBondContact CB-O 3.39Å; A277-V397 HydrophobicContact CB-CB 4.32Å; A277-V397 HydrophobicContact CB-CG1 3.94Å; A277-V397 HydrophobicContact CB-CG2 3.48Å; A277-V397 VanDerWaalsContact CB-CG2 3.48Å
278D98.7Very high97.2Very high12 Ų1224.9 Ų24.96%0.06416%0.156CC..SBendtrans-92.8-18.8169.767.1-12.4000112T338 F341 S393 R394 S395D278-T338 HydrophobicContact CB-CG2 4.45Å; D278-T338 PolarHBondContact O-N 3.39Å; D278-T338 PolarHBondContact O-OG1 2.84Å; D278-F341 HydrophobicContact CB-CB 4.13Å; D278-S393 PolarHBondContact OD1-OG 3.47Å; D278-R394 PolarHBondContact OD1-N 3.36Å; D278-R394 WeakPolarHBondContact OD2-CB 3.46Å; D278-R394 PolarHBondContact OD2-N 3.1Å; D278-R394 IonicContact OD2-NE 3.42Å; D278-R394 PolarHBondContact OD2-NE 2.91Å; D278-S395 PolarHBondContact N-O 3.04Å; D278-S395 VanDerWaalsContact N-O 3.09Å; D278-S395 PolarHBondContact OD1-N 2.77Å; D278-S395 VanDerWaalsContact OD1-O 3.06Å
279C98.8Very high96.9Very high0 Ų026.3 Ų26.30%017%0.165CC..EExtended strand (participates in β ladder)trans-144137.7178.3179.50000110.8F336 F337 F341 F390 S393 S395 F396 V397C279-F336 CarbonylContact C-O 3.58Å; C279-F336 VanDerWaalsContact CA-O 3.3Å; C279-F336 WeakPolarHBondContact CA-O 3.3Å; C279-F337 HydrophobicContact CB-CD1 4.16Å; C279-F337 HydrophobicContact CB-CE1 4.41Å; C279-F337 WeakPolarHBondContact SG-CE1 3.46Å; C279-F341 HydrophobicContact CB-CD1 4.28Å; C279-F341 HydrophobicContact CB-CE1 4.01Å; C279-F341 HydrophobicContact CB-CZ 4.32Å; C279-F390 VanDerWaalsContact SG-CD1 3.52Å; C279-S393 WeakPolarHBondContact CB-OG 3.4Å; C279-S395 PolarHBondContact N-O 3.2Å; C279-F396 HydrophobicContact CB-CD2 4.02Å; C279-F396 WeakPolarHBondContact O-CA 3.36Å; C279-F396 WeakPolarHBondContact SG-CD2 3.44Å; C279-V397 PolarHBondContact O-N 3.17Å; C279-V397 VanDerWaalsContact O-N 3.16Å
280G98.8Very high96.5Very high0 Ų030.3 Ų30.30%020%0.198CC..EExtended strand (participates in β ladder)trans-141.1148.1176.300000112.5H335 F336 V397G280-H335 CarbonylContact O-C 3.6Å; G280-H335 VanDerWaalsContact O-CA 3.24Å; G280-H335 WeakPolarHBondContact O-CA 3.14Å; G280-F336 PolarHBondContact N-O 3.01Å; G280-F336 PolarHBondContact O-N 3.16Å; G280-V397 CarbonylContact C-O 3.56Å; G280-V397 WeakPolarHBondContact CA-O 3.39Å
281A98.8Very high96.1Very high0 Ų031.1 Ų31.10%020%0.202CC..EExtended strand (participates in β ladder)trans-122.5129.6174.200000111.2V296 F390 F396 V397 V398 L399A281-V296 HydrophobicContact CB-CG2 4.3Å; A281-F390 HydrophobicContact CB-CE2 4.01Å; A281-F390 HydrophobicContact CB-CZ 3.97Å; A281-F396 HydrophobicContact CB-CE2 4.22Å; A281-F396 HydrophobicContact CB-CZ 3.72Å; A281-V397 PolarHBondContact N-O 2.72Å; A281-V398 CarbonylContact O-C 3.55Å; A281-V398 VanDerWaalsContact O-CA 3.27Å; A281-V398 WeakPolarHBondContact O-CA 3.29Å; A281-L399 PolarHBondContact O-N 3.34Å
282K98.7Very high95.6Very high0 Ų034.9 Ų34.90%023%0.226CC..EExtended strand (participates in β ladder)trans-87.2134.8168.5-170.4178.5-78.4-171.10109D265 F268 I332 N334 L399 V401 E406D265-K282 IonicContact OD2-NZ 2.99Å; D265-K282 PolarHBondContact OD2-NZ 3.41Å; F268-K282 HydrophobicContact CE1-CB 4.25Å; F268-K282 HydrophobicContact CE2-CB 4.25Å; F268-K282 HydrophobicContact CZ-CB 4.09Å; K282-I332 HydrophobicContact CB-CD1 4.41Å; K282-I332 HydrophobicContact CB-CG1 4.49Å; K282-I332 HydrophobicContact CD-CD1 4.03Å; K282-I332 HydrophobicContact CG-CD1 3.96Å; K282-I332 HydrophobicContact CG-CG1 4.49Å; K282-I332 VanDerWaalsContact O-CG1 3.27Å; K282-I332 WeakPolarHBondContact O-CG1 3.41Å; K282-N334 HydrophobicContact CB-CB 3.84Å; K282-N334 HydrophobicContact CD-CB 4.36Å; K282-N334 PolarHBondContact N-O 2.93Å; K282-L399 WeakPolarHBondContact CA-O 3.49Å; K282-V401 HydrophobicContact CD-CB 4.46Å; K282-V401 HydrophobicContact CD-CG1 3.72Å; K282-V401 HydrophobicContact CD-CG2 3.92Å; K282-V401 HydrophobicContact CG-CB 4.41Å; K282-V401 HydrophobicContact CG-CG1 3.67Å; K282-V401 HydrophobicContact CG-CG2 3.81Å; K282-E406 WeakPolarHBondContact CD-OE2 3.44Å; K282-E406 WeakPolarHBondContact CE-OE2 3.14Å; K282-E406 IonicContact NZ-OE2 2.59Å; K282-E406 PolarHBondContact NZ-OE2 3.38Å
283V98.6Very high95.3Very high0 Ų035.4 Ų35.40%023%0.23CC..EExtended strand (participates in β ladder)trans-133.3157.2-176.3-600000111V296 A329 G330 V398 L399 E400 V401V283-V296 HydrophobicContact CG1-CB 4.18Å; V283-V296 HydrophobicContact CG1-CG2 3.51Å; V283-A329 HydrophobicContact CB-CB 4.32Å; V283-A329 HydrophobicContact CG1-CB 4.24Å; V283-A329 HydrophobicContact CG2-CB 4.09Å; V283-G330 WeakPolarHBondContact CA-O 3.2Å; V283-G330 VanDerWaalsContact CB-O 3.27Å; V283-G330 WeakPolarHBondContact CB-O 3.31Å; V283-V398 HydrophobicContact CB-CG1 4.24Å; V283-V398 HydrophobicContact CG1-CG1 3.79Å; V283-V398 HydrophobicContact CG2-CG1 3.4Å; V283-V398 VanDerWaalsContact CG2-CG1 3.4Å; V283-L399 PolarHBondContact N-O 2.85Å; V283-E400 HydrophobicContact CG2-CB 4.03Å; V283-E400 HydrophobicContact CG2-CG 4.46Å; V283-E400 CarbonylContact O-C 3.55Å; V283-E400 WeakPolarHBondContact O-CA 3.33Å; V283-V401 WeakPolarHBondContact O-CG2 3.46Å; V283-V401 PolarHBondContact O-N 3.06Å
284V97.7Very high95Very high0 Ų034 Ų340%022%0.222CC..EExtended strand (participates in β ladder)trans-114.4155.9164.9-63.80000109.1K286 G330 I332 V401 R403 F407V284-K286 PolarHBondContact O-N 2.94Å; V284-G330 PolarHBondContact N-O 2.68Å; V284-G330 WeakPolarHBondContact O-CA 3.4Å; V284-G330 PolarHBondContact O-N 2.86Å; V284-I332 HydrophobicContact CB-CG2 4.18Å; V284-I332 HydrophobicContact CG1-CD1 4.39Å; V284-I332 HydrophobicContact CG1-CG2 3.82Å; V284-I332 HydrophobicContact CG2-CG2 3.52Å; V284-V401 HydrophobicContact CG1-CG2 3.9Å; V284-R403 HydrophobicContact CB-CB 4.2Å; V284-R403 HydrophobicContact CG1-CB 4.1Å; V284-F407 HydrophobicContact CG1-CB 3.88Å; V284-F407 HydrophobicContact CG2-CD1 4.04Å
285E95.4Very high94.9Very high77 Ų7731 Ų3136%0.3620%0.197SC..EExtended strand (participates in β ladder)trans-60.9128.5169-169.5176-171.500109.9R84 A287 S328 R403R84-E285 IonicContact NH1-OE2 2.75Å; E285-A287 PolarHBondContact O-N 3.17Å; E285-S328 CarbonylContact C-O 3.54Å; E285-S328 WeakPolarHBondContact CA-O 3.22Å; E285-R403 PolarHBondContact O-NH2 3.47Å
286K93.3Very high94.9Very high8 Ų826.3 Ų26.34%0.03518%0.177CC..  trans-62.3122.8175.4-164.9-179.9-168.6174.10109.4V284 H288 P289 E291 V293 L325 S328V284-K286 PolarHBondContact O-N 2.94Å; K286-H288 VanDerWaalsContact CE-O 3.25Å; K286-H288 WeakPolarHBondContact CE-O 3.34Å; K286-H288 WeakPolarHBondContact CG-O 3.35Å; K286-H288 PolarHBondContact O-N 2.64Å; K286-P289 VanDerWaalsContact CE-O 3.25Å; K286-P289 WeakPolarHBondContact CE-O 3.41Å; K286-P289 PolarHBondContact NZ-O 3.07Å; K286-E291 VanDerWaalsContact CA-OE2 3.3Å; K286-E291 WeakPolarHBondContact CA-OE2 3.33Å; K286-E291 HydrophobicContact CD-CB 4.44Å; K286-E291 WeakPolarHBondContact CE-O 3.45Å; K286-E291 HydrophobicContact CG-CB 3.88Å; K286-E291 VanDerWaalsContact CG-OE2 3.29Å; K286-E291 WeakPolarHBondContact CG-OE2 3.39Å; K286-E291 PolarHBondContact NZ-O 2.65Å; K286-V293 HydrophobicContact CD-CG1 4.33Å; K286-V293 HydrophobicContact CG-CG1 3.97Å; K286-L325 HydrophobicContact CB-CD1 4.16Å; K286-L325 HydrophobicContact CD-CD1 4.38Å; K286-L325 HydrophobicContact CG-CD1 4.42Å; K286-S328 PolarHBondContact N-O 3.35Å
287A87.4Confident94.8Very high70 Ų7023.8 Ų23.858%0.57915%0.15SC*.SBendtrans-68.2-36.5-173.800000112.3E285 E291E285-A287 PolarHBondContact O-N 3.17Å; A287-E291 PolarHBondContact N-OE2 2.99Å
288H89.9Confident94.6Very high96 Ų9627 Ų2744%0.44416%0.161SC..SBendtrans-155.1157.9176.655.873.5000111.5K286 A290 E291K286-H288 VanDerWaalsContact CE-O 3.25Å; K286-H288 WeakPolarHBondContact CE-O 3.34Å; K286-H288 WeakPolarHBondContact CG-O 3.35Å; K286-H288 PolarHBondContact O-N 2.64Å; H288-A290 PolarHBondContact O-N 2.54Å; H288-E291 WeakPolarHBondContact CE1-CA 3.29Å; H288-E291 PolarHBondContact CE1-N 2.92Å; H288-E291 PolarHBondContact ND1-N 2.9Å; H288-E291 WeakPolarHBondContact O-CB 3.36Å; H288-E291 PolarHBondContact O-N 2.78Å
289P91.4Very high94.2Very high30 Ų3027.5 Ų27.520%0.19516%0.164CC..THydrogen-bonded Turntrans-49.5-39.1-176.6-32.336.3000115.3K286 A316 R317 L325K286-P289 VanDerWaalsContact CE-O 3.25Å; K286-P289 WeakPolarHBondContact CE-O 3.41Å; K286-P289 PolarHBondContact NZ-O 3.07Å; P289-A316 WeakPolarHBondContact CB-O 3.46Å; P289-R317 HydrophobicContact CB-CB 4.47Å; P289-R317 HydrophobicContact CB-CG 3.67Å; P289-R317 HydrophobicContact CG-CG 3.99Å; P289-L325 HydrophobicContact CG-CD2 3.89Å
290A90.4Very high93.8Very high85 Ų8529.8 Ų29.870%0.70219%0.188SC*.THydrogen-bonded Turntrans-91.612.1-176.900000114.6H288H288-A290 PolarHBondContact O-N 2.54Å
291E90.3Very high93.4Very high17 Ų1730.9 Ų30.98%0.07920%0.199CC..  trans-62.7131.5177.9-175.9-174.4178.500109.3K286 A287 H288 V293 R403K286-E291 VanDerWaalsContact CA-OE2 3.3Å; K286-E291 WeakPolarHBondContact CA-OE2 3.33Å; K286-E291 HydrophobicContact CD-CB 4.44Å; K286-E291 WeakPolarHBondContact CE-O 3.45Å; K286-E291 HydrophobicContact CG-CB 3.88Å; K286-E291 VanDerWaalsContact CG-OE2 3.29Å; K286-E291 WeakPolarHBondContact CG-OE2 3.39Å; K286-E291 PolarHBondContact NZ-O 2.65Å; A287-E291 PolarHBondContact N-OE2 2.99Å; H288-E291 WeakPolarHBondContact CE1-CA 3.29Å; H288-E291 PolarHBondContact CE1-N 2.92Å; H288-E291 PolarHBondContact ND1-N 2.9Å; H288-E291 WeakPolarHBondContact O-CB 3.36Å; H288-E291 PolarHBondContact O-N 2.78Å; E291-V293 HydrophobicContact CB-CG1 4.2Å; E291-V293 HydrophobicContact CG-CB 4.31Å; E291-V293 HydrophobicContact CG-CG1 3.85Å; E291-V293 PolarHBondContact O-N 2.69Å; E291-R403 VanDerWaalsContact CD-NH2 3.26Å; E291-R403 IonicContact OE1-CZ 3.93Å; E291-R403 IonicContact OE1-NH1 3.79Å; E291-R403 PolarHBondContact OE1-NH1 3.44Å; E291-R403 IonicContact OE1-NH2 2.93Å; E291-R403 PolarHBondContact OE1-NH2 3.3Å; E291-R403 IonicContact OE2-CZ 3.76Å; E291-R403 IonicContact OE2-NH2 2.68Å; E291-R403 PolarHBondContact OE2-NH2 3.34Å
292P89.3Confident93.2Very high79 Ų7933.6 Ų33.651%0.51322%0.216SC..SBendtrans-78.359-17634.5-37.4000111.4Y308P292-Y308 VanDerWaalsContact C-CD1 3.48Å; P292-Y308 HydrophobicContact CB-CD1 4.23Å; P292-Y308 HydrophobicContact CB-CD2 4.03Å; P292-Y308 HydrophobicContact CB-CE1 4.26Å; P292-Y308 HydrophobicContact CB-CE2 4.06Å; P292-Y308 HydrophobicContact CB-CG 4.12Å
293V91.3Very high93.1Very high11 Ų1134.6 Ų34.67%0.06722%0.222CC..  trans-127.8131.817868.80000109K286 E291 N331K286-V293 HydrophobicContact CD-CG1 4.33Å; K286-V293 HydrophobicContact CG-CG1 3.97Å; E291-V293 HydrophobicContact CB-CG1 4.2Å; E291-V293 HydrophobicContact CG-CB 4.31Å; E291-V293 HydrophobicContact CG-CG1 3.85Å; E291-V293 PolarHBondContact O-N 2.69Å; V293-N331 WeakPolarHBondContact CG2-O 3.32Å
294G93.4Very high92.9Very high3 Ų336.7 Ų36.73%0.03123%0.232CC..  trans-61.6147.2171.900000111.1V306 N331G294-V306 CarbonylContact C-O 3.55Å; G294-V306 VanDerWaalsContact CA-O 3.31Å; G294-V306 WeakPolarHBondContact CA-O 3.21Å; G294-N331 WeakPolarHBondContact O-CB 3.27Å; G294-N331 PolarHBondContact O-N 2.85Å
295V95.8Very high92.8Very high1 Ų137.1 Ų37.11%0.00624%0.235CC..EExtended strand (participates in β ladder)trans-105.8124.5-178.4-176.80000109.6C297 V305 V306 I311 Y327 A329V295-C297 PolarHBondContact O-N 2.83Å; V295-C297 PolarHBondContact O-SG 3.27Å; V295-V305 WeakPolarHBondContact O-CA 3.42Å; V295-V306 PolarHBondContact N-O 2.78Å; V295-V306 PolarHBondContact O-N 3.1Å; V295-I311 HydrophobicContact CG2-CD1 4.36Å; V295-Y327 HydrophobicContact CG1-CD1 4.39Å; V295-A329 WeakPolarHBondContact CA-O 3.5Å
296V97.7Very high92.6Very high2 Ų233.7 Ų33.71%0.01222%0.219CC..EExtended strand (participates in β ladder)trans-71.4124.1168.5-173.60000108.8V75 A281 V283 Q304 V305 A329 N331 F396 V398V75-V296 HydrophobicContact CG2-CB 4.38Å; V75-V296 HydrophobicContact CG2-CG1 4Å; V75-V296 VanDerWaalsContact CG2-O 3.3Å; V75-V296 WeakPolarHBondContact CG2-O 3.3Å; A281-V296 HydrophobicContact CB-CG2 4.3Å; V283-V296 HydrophobicContact CG1-CB 4.18Å; V283-V296 HydrophobicContact CG1-CG2 3.51Å; V296-Q304 WeakPolarHBondContact CA-O 3.32Å; V296-V305 HydrophobicContact CG2-CG2 4.15Å; V296-A329 HydrophobicContact CB-CB 4.18Å; V296-A329 PolarHBondContact N-O 2.84Å; V296-N331 HydrophobicContact CG2-CB 4.06Å; V296-F396 HydrophobicContact CG1-CE1 3.76Å; V296-F396 HydrophobicContact CG1-CZ 3.86Å; V296-V398 HydrophobicContact CG1-CG2 3.84Å
297C95.8Very high92.3Very high2 Ų234.7 Ų34.71%0.01422%0.224CC..EExtended strand (participates in β ladder)trans-155-173.8-175.3570000110.2L72 E73 V295 P303 Q304 V306 Y327L72-C297 HydrophobicContact CD1-CB 4.13Å; L72-C297 VanDerWaalsContact CD1-SG 3.51Å; E73-C297 WeakPolarHBondContact O-CB 3.35Å; V295-C297 PolarHBondContact O-N 2.83Å; V295-C297 PolarHBondContact O-SG 3.27Å; C297-P303 WeakPolarHBondContact O-CA 3.48Å; C297-Q304 PolarHBondContact N-O 2.78Å; C297-Q304 PolarHBondContact O-N 3.18Å; C297-Q304 VanDerWaalsContact O-O 3.06Å; C297-V306 VanDerWaalsContact SG-CG2 3.53Å; C297-Y327 HydrophobicContact CB-CD1 4.32Å; C297-Y327 HydrophobicContact CB-CE1 4.37Å
298R95.1Very high92.1Very high75 Ų7537.1 Ų37.128%0.28322%0.219SC..EExtended strand (participates in β ladder)trans-115.9143.4168.3-66.3171.974.5-156.213.7110.1L72 E73 G301 V302L72-R298 WeakPolarHBondContact CA-O 3.36Å; E73-R298 HydrophobicContact CB-CB 4.14Å; E73-R298 PolarHBondContact N-O 2.86Å; E73-R298 PolarHBondContact O-N 2.89Å; E73-R298 IonicContact OE2-NH1 3.34Å; E73-R298 PolarHBondContact OE2-NH1 3.15Å; R298-G301 VanDerWaalsContact CZ-CA 3.47Å; R298-G301 VanDerWaalsContact NE-C 3.28Å; R298-G301 PolarHBondContact NE-O 2.93Å; R298-G301 PolarHBondContact NH2-O 3.16Å; R298-V302 CarbonylContact C-O 3.52Å; R298-V302 WeakPolarHBondContact CA-O 3.42Å
299V91.4Very high91.6Very high21 Ų2137 Ų3713%0.12723%0.228CC..EExtended strand (participates in β ladder)trans-124.4118.9166.6174.20000108.6L68 N71 L72 G301 V302 Q304 V306L68-V299 HydrophobicContact CD2-CG1 4.28Å; N71-V299 HydrophobicContact CB-CG1 4.26Å; N71-V299 WeakPolarHBondContact O-CA 3.18Å; L72-V299 HydrophobicContact CD1-CG2 3.44Å; L72-V299 VanDerWaalsContact CD1-CG2 3.44Å; V299-G301 PolarHBondContact O-N 3.37Å; V299-V302 PolarHBondContact N-O 3.13Å; V299-V302 PolarHBondContact O-N 3.26Å; V299-V302 VanDerWaalsContact O-N 3.12Å; V299-Q304 VanDerWaalsContact CB-CD 3.5Å; V299-Q304 HydrophobicContact CB-CG 4.23Å; V299-Q304 HydrophobicContact CG2-CG 4.22Å; V299-V306 HydrophobicContact CG2-CG2 4.46Å
300G89.4Confident91Very high48 Ų4839.5 Ų39.550%0.49524%0.238SC..THydrogen-bonded Turntrans59.936.8-176.100000112N71 V302N71-G300 PolarHBondContact O-N 2.94Å; G300-V302 VanDerWaalsContact C-N 3.28Å; G300-V302 PolarHBondContact O-N 2.82Å
301G91.1Very high90.7Very high23 Ų2336.4 Ų36.424%0.23721%0.209CC..THydrogen-bonded Turntrans770.2-177.100000116.2R298 V299R298-G301 VanDerWaalsContact CZ-CA 3.47Å; R298-G301 VanDerWaalsContact NE-C 3.28Å; R298-G301 PolarHBondContact NE-O 2.93Å; R298-G301 PolarHBondContact NH2-O 3.16Å; V299-G301 PolarHBondContact O-N 3.37Å
302V93.9Very high90.5Very high58 Ų5838.7 Ų38.735%0.35222%0.217SC..EExtended strand (participates in β ladder)trans-102.5131.3-177.5179.50000110.3R298 V299 G300 P391R298-V302 CarbonylContact C-O 3.52Å; R298-V302 WeakPolarHBondContact CA-O 3.42Å; V299-V302 PolarHBondContact N-O 3.13Å; V299-V302 PolarHBondContact O-N 3.26Å; V299-V302 VanDerWaalsContact O-N 3.12Å; G300-V302 VanDerWaalsContact C-N 3.28Å; G300-V302 PolarHBondContact O-N 2.82Å; V302-P391 VanDerWaalsContact CG1-CA 3.41Å; V302-P391 HydrophobicContact CG1-CB 3.49Å; V302-P391 VanDerWaalsContact CG1-CB 3.49Å; V302-P391 HydrophobicContact CG1-CG 4.04Å
303P96.1Very high90.4Very high21 Ų2138.2 Ų38.214%0.13621%0.214CC..EExtended strand (participates in β ladder)trans-70.5137.7-179.529.4-35.1000111.9C297 F390 P391 F396C297-P303 WeakPolarHBondContact O-CA 3.48Å; P303-F390 CarbonylContact O-C 3.48Å; P303-F390 WeakPolarHBondContact O-CB 3.45Å; P303-P391 VanDerWaalsContact O-CD 3.31Å; P303-P391 WeakPolarHBondContact O-CD 3.49Å; P303-P391 WeakPolarHBondContact O-CG 3.49Å; P303-P391 VanDerWaalsContact O-N 3.16Å; P303-F396 HydrophobicContact CB-CB 4.08Å; P303-F396 HydrophobicContact CB-CD1 3.5Å; P303-F396 HydrophobicContact CB-CD2 4.33Å; P303-F396 HydrophobicContact CB-CE1 3.94Å; P303-F396 HydrophobicContact CB-CG 3.71Å; P303-F396 HydrophobicContact CG-CB 3.79Å; P303-F396 HydrophobicContact CG-CD1 4.2Å; P303-F396 HydrophobicContact CG-CD2 4.49Å; P303-F396 HydrophobicContact CG-CG 3.92Å
304Q94.6Very high90.3Very high44 Ų4443.6 Ų43.621%0.20624%0.239CC..EExtended strand (participates in β ladder)trans-163171.2-179.341176.466.700111.5V296 C297 V299 P391V296-Q304 WeakPolarHBondContact CA-O 3.32Å; C297-Q304 PolarHBondContact N-O 2.78Å; C297-Q304 PolarHBondContact O-N 3.18Å; C297-Q304 VanDerWaalsContact O-O 3.06Å; V299-Q304 VanDerWaalsContact CB-CD 3.5Å; V299-Q304 HydrophobicContact CB-CG 4.23Å; V299-Q304 HydrophobicContact CG2-CG 4.22Å; Q304-P391 HydrophobicContact CB-CG 4.32Å
305V95.1Very high90.1Very high9 Ų943.9 Ų43.96%0.05524%0.239CC..EExtended strand (participates in β ladder)trans-106.4127.6168.8-178.30000107.8V295 V296 N331 F387 F390V295-V305 WeakPolarHBondContact O-CA 3.42Å; V296-V305 HydrophobicContact CG2-CG2 4.15Å; V305-N331 HydrophobicContact CG1-CB 4.18Å; V305-N331 HydrophobicContact CG2-CB 4.43Å; V305-F387 HydrophobicContact CB-CB 4.37Å; V305-F387 HydrophobicContact CB-CD2 3.52Å; V305-F387 HydrophobicContact CB-CE2 3.83Å; V305-F387 HydrophobicContact CB-CG 3.89Å; V305-F387 HydrophobicContact CB-CZ 4.45Å; V305-F387 HydrophobicContact CG1-CD2 4.21Å; V305-F387 HydrophobicContact CG1-CE2 4.11Å; V305-F387 HydrophobicContact CG1-CG 4.45Å; V305-F387 HydrophobicContact CG1-CZ 4.28Å; V305-F387 HydrophobicContact CG2-CB 3.7Å; V305-F387 HydrophobicContact CG2-CD1 4.34Å; V305-F387 HydrophobicContact CG2-CD2 3.83Å; V305-F387 HydrophobicContact CG2-CG 3.69Å; V305-F390 HydrophobicContact CG2-CD2 3.9Å; V305-F390 HydrophobicContact CG2-CE2 3.53Å
306V91.1Very high89.9Confident5 Ų544.2 Ų44.23%0.0324%0.242CC..EExtended strand (participates in β ladder)trans-98.6118.3168.11760000107.1L72 G294 V295 C297 V299 E310 I311L72-V306 HydrophobicContact CD1-CG2 3.99Å; G294-V306 CarbonylContact C-O 3.55Å; G294-V306 VanDerWaalsContact CA-O 3.31Å; G294-V306 WeakPolarHBondContact CA-O 3.21Å; V295-V306 PolarHBondContact N-O 2.78Å; V295-V306 PolarHBondContact O-N 3.1Å; C297-V306 VanDerWaalsContact SG-CG2 3.53Å; V299-V306 HydrophobicContact CG2-CG2 4.46Å; V306-E310 HydrophobicContact CG1-CB 4.08Å; V306-I311 HydrophobicContact CG1-CB 4.03Å
307E87.9Confident89.7Confident29 Ų2951.7 Ų51.714%0.13627%0.27CS..  trans-66.4152.9-178.5-85.6-59.6148.300111.8S309 E310 I311 F385 F387E307-S309 PolarHBondContact O-N 2.83Å; E307-S309 VanDerWaalsContact O-N 3.13Å; E307-E310 HydrophobicContact CB-CG 4.18Å; E307-E310 PolarHBondContact O-N 2.72Å; E307-I311 PolarHBondContact O-N 2.98Å; E307-F385 HydrophobicContact CG-CD2 4.44Å; E307-F385 HydrophobicContact CG-CE2 4.04Å; E307-F387 HydrophobicContact CG-CZ 4.04Å; E307-F387 WeakPolarHBondContact OE1-CE1 3.3Å; E307-F387 WeakPolarHBondContact OE1-CZ 3.21Å
308Y82.7Confident89.6Confident120 Ų12057.3 Ų57.347%0.47129%0.291SS..THydrogen-bonded Turntrans-62.9-23.7-176.767.2-88.2000112.9P292 E310P292-Y308 VanDerWaalsContact C-CD1 3.48Å; P292-Y308 HydrophobicContact CB-CD1 4.23Å; P292-Y308 HydrophobicContact CB-CD2 4.03Å; P292-Y308 HydrophobicContact CB-CE1 4.26Å; P292-Y308 HydrophobicContact CB-CE2 4.06Å; P292-Y308 HydrophobicContact CB-CG 4.12Å; Y308-E310 VanDerWaalsContact C-N 3.29Å
309S79.6Confident89.6Confident93 Ų9360.8 Ų60.865%0.6530%0.304SS*.THydrogen-bonded Turntrans-78.2-11.9174.250.30000113.6E307E307-S309 PolarHBondContact O-N 2.83Å; E307-S309 VanDerWaalsContact O-N 3.13Å
310E79.4Confident89.5Confident84 Ų8460.6 Ų60.639%0.39331%0.307SS..THydrogen-bonded Turntrans-110.5-12.3-174.8-57.6-175.9164.800113.1V306 E307 Y308 H356V306-E310 HydrophobicContact CG1-CB 4.08Å; E307-E310 HydrophobicContact CB-CG 4.18Å; E307-E310 PolarHBondContact O-N 2.72Å; Y308-E310 VanDerWaalsContact C-N 3.29Å; E310-H356 IonicContact OE1-ND1 2.76Å
311I83.4Confident89.5Confident20 Ų2065.1 Ų65.110%0.10333%0.328CS..SBendtrans-89.7130.8178.5-165.7169.9000111.2V295 V306 E307 T315 A316V295-I311 HydrophobicContact CG2-CD1 4.36Å; V306-I311 HydrophobicContact CG1-CB 4.03Å; E307-I311 PolarHBondContact O-N 2.98Å; I311-T315 HydrophobicContact CD1-CG2 4.12Å; I311-T315 HydrophobicContact CG1-CG2 4Å; I311-A316 HydrophobicContact CD1-CB 4.25Å; I311-A316 HydrophobicContact CG1-CB 4.37Å; I311-A316 HydrophobicContact CG2-CB 4.29Å
312R85.8Confident89.4Confident64 Ų6468.5 Ų68.524%0.24235%0.353CS..  trans-66.2144.7176.8-59.2-169.6-175.1136.90.8111.1D65 D67 E69 E314 T315 A316D65-R312 IonicContact OD1-CZ 3.92Å; D65-R312 IonicContact OD1-NE 3.95Å; D65-R312 PolarHBondContact OD1-NE 3.27Å; D65-R312 IonicContact OD1-NH2 3.13Å; D65-R312 PolarHBondContact OD1-NH2 3.14Å; D65-R312 IonicContact OD2-NH2 2.95Å; D65-R312 PolarHBondContact OD2-NH2 2.59Å; D67-R312 IonicContact OD1-CZ 2.78Å; D67-R312 IonicContact OD1-NH1 3.64Å; D67-R312 PolarHBondContact OD1-NH1 2.91Å; D67-R312 IonicContact OD1-NH2 3.72Å; D67-R312 PolarHBondContact OD1-NH2 3.15Å; E69-R312 HydrophobicContact CG-CG 4.41Å; E69-R312 WeakPolarHBondContact OE1-CB 3.46Å; E69-R312 VanDerWaalsContact OE1-CD 3.3Å; E69-R312 WeakPolarHBondContact OE1-CD 3.47Å; E69-R312 WeakPolarHBondContact OE1-CG 3.4Å; E69-R312 WeakPolarHBondContact OE2-CD 3.42Å; E69-R312 IonicContact OE2-CZ 2.71Å; E69-R312 IonicContact OE2-NE 3.92Å; E69-R312 IonicContact OE2-NH1 3.43Å; E69-R312 PolarHBondContact OE2-NH1 2.78Å; R312-E314 PolarHBondContact O-N 3.36Å; R312-T315 PolarHBondContact O-N 3.44Å; R312-T315 VanDerWaalsContact O-N 3.15Å; R312-A316 PolarHBondContact O-N 3.04Å
313P87.9Confident89.2Confident70 Ų7067.4 Ų67.446%0.45535%0.354SS..Hα-helixtrans-55.8-35.6178.8-27.335.7000114.2R317P313-R317 WeakPolarHBondContact O-CB 3.25Å; P313-R317 WeakPolarHBondContact O-CD 3.49Å; P313-R317 WeakPolarHBondContact O-CG 3.19Å; P313-R317 PolarHBondContact O-N 2.93Å; P313-R317 VanDerWaalsContact O-N 3.13Å
314E89.6Confident89Confident124 Ų12470.1 Ų70.158%0.57937%0.365SS*.Hα-helixtrans-63.7-49178.2-64.268.7-148.700110.3R312 R317 R318R312-E314 PolarHBondContact O-N 3.36Å; E314-R317 PolarHBondContact O-N 2.95Å; E314-R317 VanDerWaalsContact O-N 3.17Å; E314-R318 PolarHBondContact O-N 3.3Å
315T89.5Confident88.9Confident8 Ų868.6 Ų68.65%0.04936%0.358CS..Hα-helixtrans-62.9-44.1177.9-66.70000111.6E69 L72 I311 R312 R317 R318 Y327E69-T315 VanDerWaalsContact CD-OG1 3.3Å; E69-T315 WeakPolarHBondContact OE1-CB 3.48Å; E69-T315 PolarHBondContact OE1-OG1 3.39Å; L72-T315 HydrophobicContact CD2-CG2 3.52Å; I311-T315 HydrophobicContact CD1-CG2 4.12Å; I311-T315 HydrophobicContact CG1-CG2 4Å; R312-T315 PolarHBondContact O-N 3.44Å; R312-T315 VanDerWaalsContact O-N 3.15Å; T315-R317 PolarHBondContact O-N 3.47Å; T315-R318 WeakPolarHBondContact O-CB 3.15Å; T315-R318 PolarHBondContact O-N 3.47Å; T315-R318 VanDerWaalsContact O-N 3.12Å; T315-Y327 HydrophobicContact CG2-CD2 3.79Å; T315-Y327 HydrophobicContact CG2-CE2 3.6Å
316A90.8Very high88.9Confident8 Ų869.9 Ų69.97%0.06637%0.366CS..Hα-helixtrans-63.2-23.5176.600000113.7P289 I311 R312P289-A316 WeakPolarHBondContact CB-O 3.46Å; I311-A316 HydrophobicContact CD1-CB 4.25Å; I311-A316 HydrophobicContact CG1-CB 4.37Å; I311-A316 HydrophobicContact CG2-CB 4.29Å; R312-A316 PolarHBondContact O-N 3.04Å
317R93.8Very high89Confident160 Ų16069.9 Ų69.960%0.60437%0.365SS*.THydrogen-bonded Turntrans-92.9-5.2177.6-70.5169.4-172.1171.94.4113.7P289 P313 E314 T315 R319P289-R317 HydrophobicContact CB-CB 4.47Å; P289-R317 HydrophobicContact CB-CG 3.67Å; P289-R317 HydrophobicContact CG-CG 3.99Å; P313-R317 WeakPolarHBondContact O-CB 3.25Å; P313-R317 WeakPolarHBondContact O-CD 3.49Å; P313-R317 WeakPolarHBondContact O-CG 3.19Å; P313-R317 PolarHBondContact O-N 2.93Å; P313-R317 VanDerWaalsContact O-N 3.13Å; E314-R317 PolarHBondContact O-N 2.95Å; E314-R317 VanDerWaalsContact O-N 3.17Å; T315-R317 PolarHBondContact O-N 3.47Å; R317-R319 PolarHBondContact O-N 2.54Å
318R93.2Very high89.3Confident119 Ų11969.7 Ų69.745%0.44937%0.367SS..  trans-58.5131.2-179.9-74.6174.463.7-175.8-2.1110.3E314 T315 V326E314-R318 PolarHBondContact O-N 3.3Å; T315-R318 WeakPolarHBondContact O-CB 3.15Å; T315-R318 PolarHBondContact O-N 3.47Å; T315-R318 VanDerWaalsContact O-N 3.12Å; R318-V326 HydrophobicContact CB-CB 4.23Å; R318-V326 HydrophobicContact CB-CG2 4.12Å; R318-V326 PolarHBondContact O-N 3.19Å
319R94.6Very high90Very high148 Ų14864.3 Ų64.356%0.55835%0.347SS*.BIsolated β-bridgetrans-116.5145179.1-68.4-177.8-177.4-78.7-1.3111.8R317 G323 E324 L325R317-R319 PolarHBondContact O-N 2.54Å; R319-G323 WeakPolarHBondContact CD-O 3.41Å; R319-G323 PolarHBondContact NH1-O 2.83Å; R319-E324 CarbonylContact C-O 3.45Å; R319-E324 WeakPolarHBondContact CA-O 3.41Å; R319-E324 WeakPolarHBondContact CB-O 3.23Å; R319-L325 HydrophobicContact CG-CD2 4.25Å
320G91Very high90.9Very high17 Ų1759.9 Ų59.918%0.17532%0.316CS..  trans-80.3179.5172.400000112.3A322 G323 E324G320-A322 PolarHBondContact O-N 3.16Å; G320-G323 PolarHBondContact O-N 3.32Å; G320-E324 WeakPolarHBondContact CA-OE1 3.13Å; G320-E324 PolarHBondContact N-O 2.95Å
321P89.6Confident91.8Very high144 Ų14456.6 Ų56.694%0.93530%0.301SS*.THydrogen-bonded Turntrans-61.1-27-176.2-23.834.6000114.8
322A88.3Confident92.4Very high94 Ų9455.9 Ų55.978%0.77730%0.298SS*.THydrogen-bonded Turntrans-948.2178.200000112.8G320 E324G320-A322 PolarHBondContact O-N 3.16Å; A322-E324 VanDerWaalsContact C-N 3.31Å; A322-E324 WeakPolarHBondContact CA-OE2 3.5Å; A322-E324 WeakPolarHBondContact CB-OE2 3.28Å; A322-E324 PolarHBondContact N-OE2 2.99Å
323G89.9Confident93Very high35 Ų3553.8 Ų53.836%0.36129%0.293SS..SBendtrans84.4-0.6178.800000114.7R319 G320R319-G323 WeakPolarHBondContact CD-O 3.41Å; R319-G323 PolarHBondContact NH1-O 2.83Å; G320-G323 PolarHBondContact O-N 3.32Å
324E90.8Very high93.5Very high78 Ų7850.6 Ų50.636%0.36427%0.272SS..  trans-64.9155.1172.576.6-74-171.600111.8R319 G320 A322R319-E324 CarbonylContact C-O 3.45Å; R319-E324 WeakPolarHBondContact CA-O 3.41Å; R319-E324 WeakPolarHBondContact CB-O 3.23Å; G320-E324 WeakPolarHBondContact CA-OE1 3.13Å; G320-E324 PolarHBondContact N-O 2.95Å; A322-E324 VanDerWaalsContact C-N 3.31Å; A322-E324 WeakPolarHBondContact CA-OE2 3.5Å; A322-E324 WeakPolarHBondContact CB-OE2 3.28Å; A322-E324 PolarHBondContact N-OE2 2.99Å
325L93.9Very high93.9Very high11 Ų1144.7 Ų44.76%0.05824%0.244CC..BIsolated β-bridgetrans-71.1132.1171.4-64.6175.4000109.6K286 P289 R319 Y327 S328K286-L325 HydrophobicContact CB-CD1 4.16Å; K286-L325 HydrophobicContact CD-CD1 4.38Å; K286-L325 HydrophobicContact CG-CD1 4.42Å; P289-L325 HydrophobicContact CG-CD2 3.89Å; R319-L325 HydrophobicContact CG-CD2 4.25Å; L325-Y327 VanDerWaalsContact C-N 3.27Å; L325-Y327 PolarHBondContact O-N 3.38Å; L325-S328 WeakPolarHBondContact O-CB 3.49Å; L325-S328 PolarHBondContact O-OG 3.17Å
326V93.6Very high94.4Very high37 Ų3744.3 Ų44.322%0.22424%0.242CC..THydrogen-bonded Turntrans-63.1-40.9175.11750000110.3P74 R318 S328P74-V326 HydrophobicContact CB-CG1 4.22Å; P74-V326 HydrophobicContact CG-CG1 4.24Å; R318-V326 HydrophobicContact CB-CB 4.23Å; R318-V326 HydrophobicContact CB-CG2 4.12Å; R318-V326 PolarHBondContact O-N 3.19Å; V326-S328 PolarHBondContact O-N 2.82Å
327Y94.3Very high94.7Very high5 Ų543.9 Ų43.92%0.0224%0.239CC..THydrogen-bonded Turntrans-103.466.4180-67.6-66.8000109.9L72 P74 V295 C297 T315 L325L72-Y327 VanDerWaalsContact C-OH 3.25Å; L72-Y327 HydrophobicContact CD2-CD1 4.22Å; L72-Y327 HydrophobicContact CD2-CD2 4.45Å; L72-Y327 HydrophobicContact CD2-CE1 3.65Å; L72-Y327 HydrophobicContact CD2-CE2 3.9Å; L72-Y327 VanDerWaalsContact CD2-CZ 3.47Å; L72-Y327 HydrophobicContact CG-CE1 3.64Å; L72-Y327 WeakPolarHBondContact CG-OH 3.49Å; L72-Y327 PolarHBondContact O-OH 3.49Å; P74-Y327 HydrophobicContact CB-CE1 4.48Å; V295-Y327 HydrophobicContact CG1-CD1 4.39Å; C297-Y327 HydrophobicContact CB-CD1 4.32Å; C297-Y327 HydrophobicContact CB-CE1 4.37Å; T315-Y327 HydrophobicContact CG2-CD2 3.79Å; T315-Y327 HydrophobicContact CG2-CE2 3.6Å; L325-Y327 VanDerWaalsContact C-N 3.27Å; L325-Y327 PolarHBondContact O-N 3.38Å
328S94.4Very high95Very high25 Ų2537 Ų3718%0.17521%0.214CC..  trans-97.5-13.1-173.157.40000114.8E285 K286 L325 V326 G330E285-S328 CarbonylContact C-O 3.54Å; E285-S328 WeakPolarHBondContact CA-O 3.22Å; K286-S328 PolarHBondContact N-O 3.35Å; L325-S328 WeakPolarHBondContact O-CB 3.49Å; L325-S328 PolarHBondContact O-OG 3.17Å; V326-S328 PolarHBondContact O-N 2.82Å; S328-G330 VanDerWaalsContact C-N 3.34Å; S328-G330 PolarHBondContact O-N 2.94Å
329A97.1Very high95.2Very high7 Ų734.2 Ų34.26%0.05820%0.204CC..EExtended strand (participates in β ladder)trans-75.779.1-174.900000112V75 M80 V283 V295 V296 N331V75-A329 HydrophobicContact CG2-CB 4.36Å; M80-A329 HydrophobicContact CE-CB 4.16Å; V283-A329 HydrophobicContact CB-CB 4.32Å; V283-A329 HydrophobicContact CG1-CB 4.24Å; V283-A329 HydrophobicContact CG2-CB 4.09Å; V295-A329 WeakPolarHBondContact CA-O 3.5Å; V296-A329 HydrophobicContact CB-CB 4.18Å; V296-A329 PolarHBondContact N-O 2.84Å; A329-N331 PolarHBondContact O-N 3.13Å
330G97.6Very high95.4Very high0 Ų030.1 Ų30.10%020%0.198CC..EExtended strand (participates in β ladder)trans-71.4117.7-179.800000112.1V283 V284 S328 I332V283-G330 WeakPolarHBondContact CA-O 3.2Å; V283-G330 VanDerWaalsContact CB-O 3.27Å; V283-G330 WeakPolarHBondContact CB-O 3.31Å; V284-G330 PolarHBondContact N-O 2.68Å; V284-G330 WeakPolarHBondContact O-CA 3.4Å; V284-G330 PolarHBondContact O-N 2.86Å; S328-G330 VanDerWaalsContact C-N 3.34Å; S328-G330 PolarHBondContact O-N 2.94Å; G330-I332 PolarHBondContact O-N 3.15Å
331N97.9Very high95.8Very high14 Ų1429.4 Ų29.48%0.07519%0.19CC..EExtended strand (participates in β ladder)trans-66.9117.4177.8175.632.6000111.2V293 G294 V296 V305 A329 C333 H335 F387V293-N331 WeakPolarHBondContact CG2-O 3.32Å; G294-N331 WeakPolarHBondContact O-CB 3.27Å; G294-N331 PolarHBondContact O-N 2.85Å; V296-N331 HydrophobicContact CG2-CB 4.06Å; V305-N331 HydrophobicContact CG1-CB 4.18Å; V305-N331 HydrophobicContact CG2-CB 4.43Å; A329-N331 PolarHBondContact O-N 3.13Å; N331-C333 PolarHBondContact OD1-N 2.84Å; N331-H335 PolarHBondContact OD1-NE2 2.83Å; N331-H335 VanDerWaalsContact OD1-NE2 3.08Å; N331-F387 WeakPolarHBondContact ND2-CD1 3.15Å
332I97.4Very high96.2Very high6 Ų622.5 Ų22.53%0.03115%0.145CC..EExtended strand (participates in β ladder)trans-99.717177.561161.2000113.2K282 V284 G330 N334 V401 F407K282-I332 HydrophobicContact CB-CD1 4.41Å; K282-I332 HydrophobicContact CB-CG1 4.49Å; K282-I332 HydrophobicContact CD-CD1 4.03Å; K282-I332 HydrophobicContact CG-CD1 3.96Å; K282-I332 HydrophobicContact CG-CG1 4.49Å; K282-I332 VanDerWaalsContact O-CG1 3.27Å; K282-I332 WeakPolarHBondContact O-CG1 3.41Å; V284-I332 HydrophobicContact CB-CG2 4.18Å; V284-I332 HydrophobicContact CG1-CD1 4.39Å; V284-I332 HydrophobicContact CG1-CG2 3.82Å; V284-I332 HydrophobicContact CG2-CG2 3.52Å; G330-I332 PolarHBondContact O-N 3.15Å; I332-N334 VanDerWaalsContact C-N 3.28Å; I332-N334 HydrophobicContact CD1-CB 4.24Å; I332-N334 HydrophobicContact CG1-CB 4.12Å; I332-N334 PolarHBondContact O-N 2.92Å; I332-N334 PolarHBondContact O-ND2 3.35Å; I332-V401 HydrophobicContact CD1-CG2 4.33Å; I332-F407 HydrophobicContact CB-CD2 3.51Å; I332-F407 HydrophobicContact CB-CE2 3.69Å; I332-F407 HydrophobicContact CB-CG 4.02Å; I332-F407 HydrophobicContact CB-CZ 4.32Å; I332-F407 HydrophobicContact CD1-CB 4.44Å; I332-F407 HydrophobicContact CG2-CB 4.02Å; I332-F407 HydrophobicContact CG2-CD1 3.7Å; I332-F407 HydrophobicContact CG2-CD2 3.47Å; I332-F407 VanDerWaalsContact CG2-CD2 3.47Å; I332-F407 HydrophobicContact CG2-CE1 3.93Å; I332-F407 HydrophobicContact CG2-CE2 3.72Å; I332-F407 HydrophobicContact CG2-CG 3.45Å; I332-F407 VanDerWaalsContact CG2-CG 3.45Å; I332-F407 HydrophobicContact CG2-CZ 3.93Å
333C97Very high96.7Very high20 Ų2019.5 Ų19.514%0.13512%0.115CC..EExtended strand (participates in β ladder)trans52.447.1-178.9-159.80000112Y254 C255 N331Y254-C333 VanDerWaalsContact CA-O 3.27Å; Y254-C333 WeakPolarHBondContact CA-O 3.2Å; C255-C333 HydrophobicContact CB-CB 4.07Å; C255-C333 PolarHBondContact N-O 2.99Å; N331-C333 PolarHBondContact OD1-N 2.84Å
334N98.6Very high97.1Very high2 Ų220.4 Ų20.41%0.01111%0.112CC..EExtended strand (participates in β ladder)trans-127.2110.9172.2-83.7-112.7000107.2H252 I253 V261 K282 I332H252-N334 PolarHBondContact NE2-OD1 3.46Å; I253-N334 CarbonylContact O-C 3.15Å; I253-N334 WeakPolarHBondContact O-CA 3.49Å; V261-N334 WeakPolarHBondContact CG2-OD1 2.99Å; K282-N334 HydrophobicContact CB-CB 3.84Å; K282-N334 HydrophobicContact CD-CB 4.36Å; K282-N334 PolarHBondContact N-O 2.93Å; I332-N334 VanDerWaalsContact C-N 3.28Å; I332-N334 HydrophobicContact CD1-CB 4.24Å; I332-N334 HydrophobicContact CG1-CB 4.12Å; I332-N334 PolarHBondContact O-N 2.92Å; I332-N334 PolarHBondContact O-ND2 3.35Å
335H98.9Very high97.4Very high0 Ų016.7 Ų16.70%010%0.095CC..EExtended strand (participates in β ladder)trans-127.6150.3-170.2-49130.3000110.8H252 I253 G280 N331 F337 F390H252-H335 CarbonylContact C-O 3.55Å; H252-H335 WeakPolarHBondContact CA-O 3.25Å; I253-H335 HydrophobicContact CB-CB 4.41Å; I253-H335 PolarHBondContact N-O 2.9Å; I253-H335 PolarHBondContact O-N 2.89Å; G280-H335 CarbonylContact O-C 3.6Å; G280-H335 VanDerWaalsContact O-CA 3.24Å; G280-H335 WeakPolarHBondContact O-CA 3.14Å; N331-H335 PolarHBondContact OD1-NE2 2.83Å; N331-H335 VanDerWaalsContact OD1-NE2 3.08Å; H335-F337 HydrophobicContact CB-CE1 4.1Å; H335-F337 HydrophobicContact CB-CE2 4.3Å; H335-F337 HydrophobicContact CB-CZ 3.85Å; H335-F390 AromaticContact CD2-CZ 3.55Å; H335-F390 AromaticContact NE2-CZ 3.66Å
336F98.9Very high97.6Very high0 Ų016.3 Ų16.30%09%0.092CC..EExtended strand (participates in β ladder)trans-111.3129171.4169.9-83.4000107.5F250 V251 F268 V269 C272 V273 C279 G280 T338F250-F336 HydrophobicContact CB-CE2 3.65Å; F250-F336 HydrophobicContact CB-CZ 4.06Å; F250-F336 HydrophobicContact CD1-CE1 4.28Å; F250-F336 AromaticContact CD1-CE2 3.75Å; F250-F336 HydrophobicContact CD1-CE2 3.75Å; F250-F336 AromaticContact CD1-CZ 3.27Å; F250-F336 HydrophobicContact CD1-CZ 3.27Å; F250-F336 AromaticContact CE1-CZ 3.97Å; F250-F336 HydrophobicContact CE1-CZ 3.97Å; F250-F336 AromaticContact CG-CE2 3.85Å; F250-F336 HydrophobicContact CG-CE2 3.85Å; F250-F336 AromaticContact CG-CZ 3.88Å; F250-F336 HydrophobicContact CG-CZ 3.88Å; V251-F336 WeakPolarHBondContact O-CA 3.34Å; F268-F336 HydrophobicContact CD1-CB 4.47Å; F268-F336 HydrophobicContact CE1-CB 3.71Å; F268-F336 HydrophobicContact CE2-CB 4.3Å; F268-F336 HydrophobicContact CZ-CB 3.6Å; V269-F336 HydrophobicContact CG1-CE2 4.26Å; V269-F336 HydrophobicContact CG2-CD2 4.43Å; C272-F336 HydrophobicContact CB-CB 4.33Å; C272-F336 HydrophobicContact CB-CD1 3.47Å; C272-F336 VanDerWaalsContact CB-CD1 3.47Å; C272-F336 HydrophobicContact CB-CD2 3.81Å; C272-F336 HydrophobicContact CB-CE1 3.53Å; C272-F336 HydrophobicContact CB-CE2 3.82Å; C272-F336 HydrophobicContact CB-CG 3.61Å; C272-F336 HydrophobicContact CB-CZ 3.67Å; V273-F336 HydrophobicContact CG2-CE2 4.36Å; V273-F336 HydrophobicContact CG2-CZ 4.14Å; C279-F336 CarbonylContact C-O 3.58Å; C279-F336 VanDerWaalsContact CA-O 3.3Å; C279-F336 WeakPolarHBondContact CA-O 3.3Å; G280-F336 PolarHBondContact N-O 3.01Å; G280-F336 PolarHBondContact O-N 3.16Å; F336-T338 HydrophobicContact CE1-CG2 4.02Å; F336-T338 HydrophobicContact CZ-CG2 4.4Å
337F98.9Very high97.7Very high0 Ų021.5 Ų21.50%011%0.112CC..EExtended strand (participates in β ladder)trans-129.9141169.8-59.1-40.9000110.2V251 I253 C279 H335 F341 L342 V389 F390V251-F337 PolarHBondContact N-O 3.41Å; V251-F337 PolarHBondContact O-N 3.15Å; I253-F337 HydrophobicContact CD1-CD2 3.39Å; I253-F337 HydrophobicContact CD1-CE2 3.62Å; I253-F337 HydrophobicContact CG1-CD2 3.79Å; I253-F337 HydrophobicContact CG1-CE2 4.08Å; C279-F337 HydrophobicContact CB-CD1 4.16Å; C279-F337 HydrophobicContact CB-CE1 4.41Å; C279-F337 WeakPolarHBondContact SG-CE1 3.46Å; H335-F337 HydrophobicContact CB-CE1 4.1Å; H335-F337 HydrophobicContact CB-CE2 4.3Å; H335-F337 HydrophobicContact CB-CZ 3.85Å; F337-F341 HydrophobicContact CB-CD1 4.1Å; F337-F341 AromaticContact CD1-CD1 3.72Å; F337-F341 HydrophobicContact CD1-CD1 3.72Å; F337-F341 AromaticContact CD1-CE1 3.65Å; F337-F341 HydrophobicContact CD1-CE1 3.65Å; F337-F341 HydrophobicContact CE1-CD1 4.46Å; F337-F341 AromaticContact CE1-CE1 3.95Å; F337-F341 HydrophobicContact CE1-CE1 3.95Å; F337-F341 HydrophobicContact CG-CD1 4.02Å; F337-F341 HydrophobicContact CG-CE1 4.26Å; F337-L342 HydrophobicContact CB-CD1 4.27Å; F337-L342 HydrophobicContact CB-CD2 4.14Å; F337-L342 HydrophobicContact CB-CG 3.87Å; F337-L342 HydrophobicContact CD2-CD2 3.63Å; F337-L342 HydrophobicContact CD2-CG 4.28Å; F337-L342 HydrophobicContact CE2-CD2 4.38Å; F337-L342 HydrophobicContact CG-CD2 4.17Å; F337-L342 HydrophobicContact CG-CG 4.44Å; F337-V389 HydrophobicContact CE1-CG2 4.25Å; F337-V389 HydrophobicContact CZ-CG2 3.93Å; F337-F390 HydrophobicContact CE1-CD1 4.34Å; F337-F390 AromaticContact CE1-CE1 3.93Å; F337-F390 HydrophobicContact CE1-CE1 3.93Å; F337-F390 HydrophobicContact CZ-CE1 4.06Å
338T98.9Very high97.7Very high16 Ų1625 Ų2510%0.09813%0.134CC..EExtended strand (participates in β ladder)trans-72.8148.5163.358.70000109.9E249 F250 D278 F336 S340 F341 L342E249-T338 CarbonylContact O-C 3.56Å; E249-T338 WeakPolarHBondContact O-CA 3.35Å; F250-T338 HydrophobicContact CD1-CG2 4.14Å; F250-T338 HydrophobicContact CE1-CG2 4.21Å; D278-T338 HydrophobicContact CB-CG2 4.45Å; D278-T338 PolarHBondContact O-N 3.39Å; D278-T338 PolarHBondContact O-OG1 2.84Å; F336-T338 HydrophobicContact CE1-CG2 4.02Å; F336-T338 HydrophobicContact CZ-CG2 4.4Å; T338-S340 PolarHBondContact O-N 3.02Å; T338-S340 PolarHBondContact OG1-OG 2.87Å; T338-F341 PolarHBondContact O-N 3.13Å; T338-F341 VanDerWaalsContact O-N 3.16Å; T338-F341 WeakPolarHBondContact OG1-CB 3.11Å; T338-F341 PolarHBondContact OG1-N 3.45Å; T338-F341 VanDerWaalsContact OG1-N 3.15Å; T338-L342 PolarHBondContact O-N 3.46Å
339R98.7Very high97.7Very high59 Ų5926.3 Ų26.322%0.22314%0.137CC..Hα-helixtrans-56.9-38.5173.6-179-176.658.690.5-1.5111.4E244 V248 E249 L342 Q343E244-R339 IonicContact OE1-CZ 3.92Å; E244-R339 IonicContact OE1-NH1 2.97Å; E244-R339 PolarHBondContact OE1-NH1 3.36Å; E244-R339 IonicContact OE1-NH2 2.59Å; V248-R339 VanDerWaalsContact O-CD 3.24Å; V248-R339 WeakPolarHBondContact O-CD 3.14Å; V248-R339 PolarHBondContact O-NE 2.89Å; V248-R339 VanDerWaalsContact O-NE 3.14Å; E249-R339 PolarHBondContact O-N 3.27Å; R339-L342 PolarHBondContact O-N 3.38Å; R339-Q343 WeakPolarHBondContact O-CB 3.1Å; R339-Q343 PolarHBondContact O-N 3.46Å
340S98.5Very high97.4Very high63 Ų6327 Ų2744%0.44114%0.139SC..Hα-helixtrans-63.9-41.5176.647.20000112.4T338 Q343 D344T338-S340 PolarHBondContact O-N 3.02Å; T338-S340 PolarHBondContact OG1-OG 2.87Å; S340-Q343 WeakPolarHBondContact O-CB 3.17Å; S340-Q343 PolarHBondContact O-N 3.37Å; S340-D344 PolarHBondContact O-N 2.97Å
341F98.8Very high96.9Very high1 Ų132.3 Ų32.30%0.00417%0.167CC..Hα-helixtrans-62.7-45.3174176.7-113.5000112.3D278 C279 F337 T338 Q343 D344 V345 V389 F392D278-F341 HydrophobicContact CB-CB 4.13Å; C279-F341 HydrophobicContact CB-CD1 4.28Å; C279-F341 HydrophobicContact CB-CE1 4.01Å; C279-F341 HydrophobicContact CB-CZ 4.32Å; F337-F341 HydrophobicContact CB-CD1 4.1Å; F337-F341 AromaticContact CD1-CD1 3.72Å; F337-F341 HydrophobicContact CD1-CD1 3.72Å; F337-F341 AromaticContact CD1-CE1 3.65Å; F337-F341 HydrophobicContact CD1-CE1 3.65Å; F337-F341 HydrophobicContact CE1-CD1 4.46Å; F337-F341 AromaticContact CE1-CE1 3.95Å; F337-F341 HydrophobicContact CE1-CE1 3.95Å; F337-F341 HydrophobicContact CG-CD1 4.02Å; F337-F341 HydrophobicContact CG-CE1 4.26Å; T338-F341 PolarHBondContact O-N 3.13Å; T338-F341 VanDerWaalsContact O-N 3.16Å; T338-F341 WeakPolarHBondContact OG1-CB 3.11Å; T338-F341 PolarHBondContact OG1-N 3.45Å; T338-F341 VanDerWaalsContact OG1-N 3.15Å; F341-Q343 VanDerWaalsContact C-N 3.25Å; F341-Q343 PolarHBondContact O-N 2.89Å; F341-D344 PolarHBondContact O-N 3.34Å; F341-V345 HydrophobicContact CD1-CG2 4.47Å; F341-V345 HydrophobicContact CD2-CG2 4.38Å; F341-V345 HydrophobicContact CE1-CG2 4.05Å; F341-V345 HydrophobicContact CE2-CG2 3.94Å; F341-V345 HydrophobicContact CZ-CG2 3.77Å; F341-V345 WeakPolarHBondContact O-CG2 3.42Å; F341-V345 PolarHBondContact O-N 3.43Å; F341-V389 HydrophobicContact CE1-CB 4.43Å; F341-V389 HydrophobicContact CE1-CG2 3.99Å; F341-V389 HydrophobicContact CZ-CB 4.12Å; F341-V389 HydrophobicContact CZ-CG2 4.11Å; F341-V389 WeakPolarHBondContact CZ-O 3.36Å; F341-F392 HydrophobicContact CE2-CB 4.19Å
342L98.7Very high96.5Very high0 Ų037 Ų370%019%0.188CC..Hα-helixtrans-58-41.1173.9-73.7175000111.7Y231 L234 L240 V251 F337 T338 R339 V345 V346Y231-L342 HydrophobicContact CD1-CD2 4.29Å; Y231-L342 HydrophobicContact CE1-CD2 4.04Å; L234-L342 HydrophobicContact CD1-CD1 4.45Å; L234-L342 HydrophobicContact CD1-CD2 4.12Å; L240-L342 HydrophobicContact CD2-CB 3.82Å; L240-L342 HydrophobicContact CD2-CD1 4.32Å; V251-L342 HydrophobicContact CB-CD1 4.15Å; V251-L342 HydrophobicContact CG2-CD1 3.81Å; F337-L342 HydrophobicContact CB-CD1 4.27Å; F337-L342 HydrophobicContact CB-CD2 4.14Å; F337-L342 HydrophobicContact CB-CG 3.87Å; F337-L342 HydrophobicContact CD2-CD2 3.63Å; F337-L342 HydrophobicContact CD2-CG 4.28Å; F337-L342 HydrophobicContact CE2-CD2 4.38Å; F337-L342 HydrophobicContact CG-CD2 4.17Å; F337-L342 HydrophobicContact CG-CG 4.44Å; T338-L342 PolarHBondContact O-N 3.46Å; R339-L342 PolarHBondContact O-N 3.38Å; L342-V345 PolarHBondContact O-N 3.07Å; L342-V346 WeakPolarHBondContact O-CG2 3.27Å; L342-V346 PolarHBondContact O-N 3.15Å
343Q98.3Very high96.2Very high31 Ų3137 Ų3715%0.14519%0.189CC..Hα-helixtrans-62.2-42.7176.9-173.368.989.800112.3R339 S340 F341 V346 K347R339-Q343 WeakPolarHBondContact O-CB 3.1Å; R339-Q343 PolarHBondContact O-N 3.46Å; S340-Q343 WeakPolarHBondContact O-CB 3.17Å; S340-Q343 PolarHBondContact O-N 3.37Å; F341-Q343 VanDerWaalsContact C-N 3.25Å; F341-Q343 PolarHBondContact O-N 2.89Å; Q343-V346 PolarHBondContact O-N 2.98Å; Q343-K347 HydrophobicContact CG-CD 4.06Å; Q343-K347 WeakPolarHBondContact O-CB 3.3Å; Q343-K347 WeakPolarHBondContact O-CG 3.47Å; Q343-K347 PolarHBondContact O-N 3.22Å
344D98Very high95.5Very high54 Ų5442.8 Ų42.829%0.28921%0.211SC..Hα-helixtrans-64.1-43.7177-69.5-19.8000110.8S340 F341 K347 T348 F349 R394S340-D344 PolarHBondContact O-N 2.97Å; F341-D344 PolarHBondContact O-N 3.34Å; D344-K347 PolarHBondContact O-N 2.98Å; D344-T348 WeakPolarHBondContact O-CA 3.29Å; D344-T348 WeakPolarHBondContact O-CB 3.41Å; D344-T348 PolarHBondContact O-N 3.28Å; D344-T348 PolarHBondContact O-OG1 3.33Å; D344-F349 HydrophobicContact CB-CE2 4.23Å; D344-F349 WeakPolarHBondContact O-CD2 3.24Å; D344-R394 IonicContact OD2-CZ 2.75Å; D344-R394 IonicContact OD2-NH2 2.65Å; D344-R394 PolarHBondContact OD2-NH2 3.11Å
345V97.9Very high94.8Very high0 Ų046 Ų460%023%0.232CC..Iπ-helixtrans-57.8-52.4174.9170.10000111.1Y231 F341 L342 K347 F349 K350 V389Y231-V345 HydrophobicContact CD1-CB 4.38Å; Y231-V345 HydrophobicContact CD1-CG1 3.48Å; Y231-V345 VanDerWaalsContact CD1-CG1 3.48Å; Y231-V345 HydrophobicContact CD2-CG1 4.16Å; Y231-V345 HydrophobicContact CE1-CG1 3.92Å; Y231-V345 HydrophobicContact CG-CG1 3.6Å; F341-V345 HydrophobicContact CD1-CG2 4.47Å; F341-V345 HydrophobicContact CD2-CG2 4.38Å; F341-V345 HydrophobicContact CE1-CG2 4.05Å; F341-V345 HydrophobicContact CE2-CG2 3.94Å; F341-V345 HydrophobicContact CZ-CG2 3.77Å; F341-V345 WeakPolarHBondContact O-CG2 3.42Å; F341-V345 PolarHBondContact O-N 3.43Å; L342-V345 PolarHBondContact O-N 3.07Å; V345-K347 VanDerWaalsContact C-N 3.34Å; V345-K347 PolarHBondContact O-N 3.15Å; V345-F349 CarbonylContact O-C 3.55Å; V345-F349 PolarHBondContact O-N 3.24Å; V345-K350 PolarHBondContact O-N 3.41Å; V345-V389 HydrophobicContact CB-CG1 4.47Å; V345-V389 HydrophobicContact CG1-CG1 3.58Å; V345-V389 HydrophobicContact CG2-CB 4.03Å; V345-V389 HydrophobicContact CG2-CG1 3.99Å
346V96.8Very high94.2Very high2 Ų247.5 Ų47.51%0.01224%0.239CC..Iπ-helixtrans-61.8-41.8-177.8169.60000111.7Y231 L234 E235 L240 L342 Q343 K350Y231-V346 VanDerWaalsContact O-CG2 3.27Å; Y231-V346 WeakPolarHBondContact O-CG2 3.33Å; L234-V346 HydrophobicContact CB-CG2 4.37Å; E235-V346 HydrophobicContact CB-CG1 3.69Å; E235-V346 HydrophobicContact CG-CG1 4.04Å; L240-V346 HydrophobicContact CD1-CB 4.06Å; L240-V346 HydrophobicContact CD1-CG1 4.35Å; L240-V346 HydrophobicContact CD1-CG2 3.81Å; L342-V346 WeakPolarHBondContact O-CG2 3.27Å; L342-V346 PolarHBondContact O-N 3.15Å; Q343-V346 PolarHBondContact O-N 2.98Å; V346-K350 WeakPolarHBondContact O-CD 3.48Å; V346-K350 WeakPolarHBondContact O-CE 3.39Å; V346-K350 WeakPolarHBondContact O-CG 3.2Å
347K95.7Very high93.5Very high146 Ų14649.8 Ų49.864%0.63525%0.253SS*.Iπ-helixtrans-81.5-27.7-175.7-73.9177.6171.6160.70114.2Q343 D344 V345Q343-K347 HydrophobicContact CG-CD 4.06Å; Q343-K347 WeakPolarHBondContact O-CB 3.3Å; Q343-K347 WeakPolarHBondContact O-CG 3.47Å; Q343-K347 PolarHBondContact O-N 3.22Å; D344-K347 PolarHBondContact O-N 2.98Å; V345-K347 VanDerWaalsContact C-N 3.34Å; V345-K347 PolarHBondContact O-N 3.15Å
348T95.8Very high92.8Very high80 Ų8050.6 Ų50.649%0.49126%0.259SS..Iπ-helixtrans-126.2-35.6-164.5-41.20000113.7D344 Q352D344-T348 WeakPolarHBondContact O-CA 3.29Å; D344-T348 WeakPolarHBondContact O-CB 3.41Å; D344-T348 PolarHBondContact O-N 3.28Å; D344-T348 PolarHBondContact O-OG1 3.33Å; T348-Q352 PolarHBondContact O-NE2 2.9Å
349F94Very high92.3Very high52 Ų5254.2 Ų54.223%0.22828%0.278CS..Iπ-helixtrans-116.3-18-163.7-54.8-64.4000114.9D344 V345 D351 Q352 F392D344-F349 HydrophobicContact CB-CE2 4.23Å; D344-F349 WeakPolarHBondContact O-CD2 3.24Å; V345-F349 CarbonylContact O-C 3.55Å; V345-F349 PolarHBondContact O-N 3.24Å; F349-D351 PolarHBondContact O-N 3.28Å; F349-D351 VanDerWaalsContact O-N 3.12Å; F349-Q352 WeakPolarHBondContact O-CA 3.47Å; F349-Q352 VanDerWaalsContact O-CB 3.3Å; F349-Q352 WeakPolarHBondContact O-CB 3.49Å; F349-Q352 PolarHBondContact O-N 3.47Å; F349-F392 HydrophobicContact CB-CD1 4.14Å; F349-F392 HydrophobicContact CB-CD2 3.53Å; F349-F392 HydrophobicContact CB-CE1 4.19Å; F349-F392 HydrophobicContact CB-CE2 3.62Å; F349-F392 HydrophobicContact CB-CG 3.82Å; F349-F392 HydrophobicContact CB-CZ 3.95Å; F349-F392 HydrophobicContact CD1-CB 4.45Å; F349-F392 AromaticContact CD1-CD1 3.58Å; F349-F392 HydrophobicContact CD1-CD1 3.58Å; F349-F392 HydrophobicContact CD1-CD2 4.47Å; F349-F392 AromaticContact CD1-CE1 3.87Å; F349-F392 HydrophobicContact CD1-CE1 3.87Å; F349-F392 AromaticContact CD1-CG 3.92Å; F349-F392 HydrophobicContact CD1-CG 3.92Å; F349-F392 HydrophobicContact CD1-CZ 4.46Å; F349-F392 HydrophobicContact CD2-CB 3.85Å; F349-F392 HydrophobicContact CD2-CD1 4.44Å; F349-F392 HydrophobicContact CD2-CD2 4.36Å; F349-F392 AromaticContact CD2-CG 3.98Å; F349-F392 HydrophobicContact CD2-CG 3.98Å; F349-F392 HydrophobicContact CE1-CD1 4.06Å; F349-F392 HydrophobicContact CE2-CB 4.1Å; F349-F392 HydrophobicContact CG-CB 4.06Å; F349-F392 AromaticContact CG-CD1 3.82Å; F349-F392 HydrophobicContact CG-CD1 3.82Å; F349-F392 AromaticContact CG-CD2 3.91Å; F349-F392 HydrophobicContact CG-CD2 3.91Å; F349-F392 HydrophobicContact CG-CE1 4.24Å; F349-F392 HydrophobicContact CG-CE2 4.34Å; F349-F392 AromaticContact CG-CG 3.65Å; F349-F392 HydrophobicContact CG-CG 3.65Å; F349-F392 HydrophobicContact CG-CZ 4.49Å
350K89.6Confident91.7Very high22 Ų2255.8 Ų55.810%0.09629%0.286CS..G310 helixtrans-58.3-29.9-174.567.8175178-176.90114.6Q232 E235 V345 V346 Q352 L353 K384Q232-K350 VanDerWaalsContact OE1-CE 3.32Å; E235-K350 IonicContact OE1-NZ 3.71Å; E235-K350 PolarHBondContact OE1-NZ 3.43Å; E235-K350 VanDerWaalsContact OE1-NZ 3.14Å; E235-K350 IonicContact OE2-NZ 2.78Å; E235-K350 PolarHBondContact OE2-NZ 2.86Å; V345-K350 PolarHBondContact O-N 3.41Å; V346-K350 WeakPolarHBondContact O-CD 3.48Å; V346-K350 WeakPolarHBondContact O-CE 3.39Å; V346-K350 WeakPolarHBondContact O-CG 3.2Å; K350-Q352 VanDerWaalsContact C-N 3.29Å; K350-L353 WeakPolarHBondContact O-CB 3.5Å; K350-L353 PolarHBondContact O-N 3.11Å; K350-K384 PolarHBondContact O-NZ 3.09Å
351D87.3Confident91.4Very high111 Ų11158.4 Ų58.459%0.59429%0.29SS*.G310 helixtrans-80.4-12.9178.1-65.5-36.7000112.3F349F349-D351 PolarHBondContact O-N 3.28Å; F349-D351 VanDerWaalsContact O-N 3.12Å
352Q90.9Very high91Very high111 Ų11158.7 Ų58.752%0.51929%0.292SS..G310 helixtrans-87.8-10.1174-52.9-179.936.900112.4T348 F349 K350 K354 F392T348-Q352 PolarHBondContact O-NE2 2.9Å; F349-Q352 WeakPolarHBondContact O-CA 3.47Å; F349-Q352 VanDerWaalsContact O-CB 3.3Å; F349-Q352 WeakPolarHBondContact O-CB 3.49Å; F349-Q352 PolarHBondContact O-N 3.47Å; K350-Q352 VanDerWaalsContact C-N 3.29Å; Q352-K354 PolarHBondContact O-N 2.77Å; Q352-F392 HydrophobicContact CB-CZ 4.04Å
353L89.3Confident90.8Very high8 Ų861.5 Ų61.54%0.04231%0.31CS..PPolyproline II helixtrans-65.7121.1178.1-64.6178000110.5Y231 K350 K384 D388 V389 F392Y231-L353 HydrophobicContact CD2-CD1 3.4Å; Y231-L353 HydrophobicContact CE2-CD1 3.7Å; Y231-L353 HydrophobicContact CG-CD1 4.46Å; K350-L353 WeakPolarHBondContact O-CB 3.5Å; K350-L353 PolarHBondContact O-N 3.11Å; L353-K384 HydrophobicContact CB-CD 3.89Å; L353-K384 HydrophobicContact CB-CG 4.39Å; L353-K384 HydrophobicContact CD1-CD 4.29Å; L353-D388 HydrophobicContact CD2-CB 3.73Å; L353-V389 HydrophobicContact CD1-CG1 4.29Å; L353-V389 HydrophobicContact CD2-CG1 3.81Å; L353-F392 HydrophobicContact CD2-CE2 3.89Å
354K83.3Confident90.7Very high141 Ų14162.8 Ų62.861%0.61332%0.315SS*.PPolyproline II helixtrans-73.4131.1-179-64.5177.8-175.8171.60109.4Q352 H356Q352-K354 PolarHBondContact O-N 2.77Å; K354-H356 PolarHBondContact O-CD2 2.82Å
355P84.4Confident90.7Very high68 Ų6860.2 Ų60.244%0.44230%0.301SS..PPolyproline II helixtrans-74.7142.6169.131.5-33.6000110.3M382P355-M382 HydrophobicContact CB-CB 4.3Å; P355-M382 HydrophobicContact CB-CE 3.48Å; P355-M382 VanDerWaalsContact CB-CE 3.48Å; P355-M382 HydrophobicContact CB-SD 4.48Å; P355-M382 HydrophobicContact CG-CE 3.45Å; P355-M382 VanDerWaalsContact CG-CE 3.45Å
356H85.4Confident90.6Very high33 Ų3362 Ų6215%0.15331%0.311CS..EExtended strand (participates in β ladder)trans-105141.7176.3-63.2-92.4000110.2E310 K354 M382 E383 F385 D388E310-H356 IonicContact OE1-ND1 2.76Å; K354-H356 PolarHBondContact O-CD2 2.82Å; H356-M382 WeakPolarHBondContact O-CA 3.37Å; H356-E383 WeakPolarHBondContact CB-O 3.12Å; H356-E383 PolarHBondContact CD2-O 3.35Å; H356-E383 PolarHBondContact N-O 2.91Å; H356-E383 PolarHBondContact O-N 3.27Å; H356-F385 HydrophobicContact CB-CE2 3.84Å; H356-F385 HydrophobicContact CB-CZ 3.83Å; H356-F385 AromaticContact CD2-CD2 3.33Å; H356-F385 WeakPolarHBondContact CD2-CD2 3.5Å; H356-F385 AromaticContact CD2-CE2 3.53Å; H356-F385 AromaticContact CD2-CG 3.84Å; H356-F385 AromaticContact CE1-CD2 3.65Å; H356-F385 AromaticContact CE1-CE2 3.73Å; H356-F385 AromaticContact CG-CD2 3.71Å; H356-F385 AromaticContact CG-CE2 3.37Å; H356-F385 AromaticContact CG-CZ 3.89Å; H356-F385 AromaticContact ND1-CD2 3.94Å; H356-F385 AromaticContact ND1-CE2 3.56Å; H356-F385 AromaticContact NE2-CD2 3.29Å; H356-F385 VanDerWaalsContact NE2-CD2 3.29Å; H356-F385 WeakPolarHBondContact NE2-CD2 3.19Å; H356-F385 AromaticContact NE2-CE2 3.75Å; H356-D388 IonicContact CD2-OD2 3.22Å; H356-D388 PolarHBondContact CD2-OD2 3.2Å; H356-D388 IonicContact CE1-OD2 3.63Å; H356-D388 IonicContact NE2-OD1 3.48Å; H356-D388 IonicContact NE2-OD2 2.99Å; H356-D388 PolarHBondContact NE2-OD2 3.5Å
357V85.3Confident90.4Very high48 Ų4866.4 Ų66.429%0.29134%0.341SS..EExtended strand (participates in β ladder)trans-90.2121.8-178.5171.50000110A56 L359 I380 M382A56-V357 HydrophobicContact CB-CG2 3.25Å; V357-L359 HydrophobicContact CG1-CD2 3.8Å; V357-L359 HydrophobicContact CG1-CG 4.48Å; V357-I380 HydrophobicContact CG1-CG2 3.94Å; V357-I380 HydrophobicContact CG2-CG2 4.49Å; V357-M382 HydrophobicContact CG2-SD 3.82Å
358A84.3Confident90.3Very high16 Ų1663.9 Ų63.913%0.13234%0.341CS..EExtended strand (participates in β ladder)trans-114113168.700000110.4K381A358-K381 HydrophobicContact CB-CB 4.48Å; A358-K381 PolarHBondContact N-O 3.49Å; A358-K381 PolarHBondContact O-N 3.41Å
359L87.1Confident90.2Very high93 Ų9360.9 Ų60.949%0.48733%0.326SS..EExtended strand (participates in β ladder)trans-74.9127.7173.8-50.6-180000109.5F208 V357 P377 I380F208-L359 HydrophobicContact CD1-CD2 4.43Å; F208-L359 HydrophobicContact CE1-CD2 3.77Å; V357-L359 HydrophobicContact CG1-CD2 3.8Å; V357-L359 HydrophobicContact CG1-CG 4.48Å; L359-P377 HydrophobicContact CB-CB 4.16Å; L359-I380 HydrophobicContact CD2-CG1 4.19Å
360K86.9Confident90.3Very high91 Ų9162.8 Ų62.840%0.39634%0.339SS..EExtended strand (participates in β ladder)trans-135.3155.5-175.4-61.5-66.8-174.4-171.70112.2V362 P377 N378 G379 K381K360-V362 HydrophobicContact CB-CG2 3.92Å; K360-V362 PolarHBondContact O-N 2.96Å; K360-P377 WeakPolarHBondContact O-CA 3.44Å; K360-N378 PolarHBondContact O-N 2.88Å; K360-N378 VanDerWaalsContact O-N 3.07Å; K360-N378 PolarHBondContact O-OD1 3.13Å; K360-G379 PolarHBondContact N-O 2.92Å; K360-G379 PolarHBondContact O-N 3.46Å; K360-K381 HydrophobicContact CG-CD 3.87Å; K360-K381 HydrophobicContact CG-CG 3.99Å
361K90.8Very high90.7Very high118 Ų11866.9 Ų66.951%0.51336%0.358SS..  trans-8693.7166.1-59.2-175.1-170.3-172.80107.3P363 P374 T375K361-P363 WeakPolarHBondContact O-CD 3.32Å; K361-P374 HydrophobicContact CB-CG 4.04Å; K361-T375 WeakPolarHBondContact CE-O 3.22Å; K361-T375 PolarHBondContact NZ-O 3.04Å
362V92.4Very high91.1Very high8 Ų863.8 Ų63.85%0.04834%0.343CS..  trans-97.6110.9-176.4-174.60000108.6A205 I213 A221 K360 F364 P374 N378A205-V362 HydrophobicContact CB-CG1 4.17Å; A205-V362 HydrophobicContact CB-CG2 4.29Å; I213-V362 HydrophobicContact CD1-CB 4.07Å; I213-V362 HydrophobicContact CD1-CG1 4.19Å; I213-V362 HydrophobicContact CD1-CG2 4.34Å; I213-V362 HydrophobicContact CG2-CG1 3.98Å; A221-V362 HydrophobicContact CB-CG1 3.66Å; K360-V362 HydrophobicContact CB-CG2 3.92Å; K360-V362 PolarHBondContact O-N 2.96Å; V362-F364 PolarHBondContact O-N 3.17Å; V362-P374 WeakPolarHBondContact O-CG 3.33Å; V362-N378 PolarHBondContact N-OD1 2.93Å; V362-N378 PolarHBondContact O-ND2 3.15Å; V362-N378 PolarHBondContact O-OD1 3.16Å
363P94Very high91.3Very high59 Ų5967.3 Ų67.338%0.38336%0.357SS..  trans-54139.1171.8-23.734.6000110.9K361 V372K361-P363 WeakPolarHBondContact O-CD 3.32Å; P363-V372 WeakPolarHBondContact CA-O 3.4Å
364F96.5Very high91.4Very high58 Ų5868.1 Ų68.125%0.25436%0.362SS..EExtended strand (participates in β ladder)trans-150163.9-173.273.1-76.9000112.1I213 L214 V362 D366 V372 N378I213-F364 HydrophobicContact CG2-CB 3.54Å; L214-F364 CarbonylContact O-C 3.5Å; L214-F364 WeakPolarHBondContact O-CA 3.29Å; L214-F364 WeakPolarHBondContact O-CB 3.41Å; V362-F364 PolarHBondContact O-N 3.17Å; F364-D366 HydrophobicContact CE2-CB 4.25Å; F364-V372 HydrophobicContact CD1-CB 4.08Å; F364-V372 HydrophobicContact CD1-CG1 4.3Å; F364-V372 HydrophobicContact CE1-CB 3.68Å; F364-V372 HydrophobicContact CE1-CG1 3.51Å; F364-V372 HydrophobicContact CE2-CB 4.41Å; F364-V372 HydrophobicContact CZ-CB 3.86Å; F364-V372 HydrophobicContact CZ-CG1 3.8Å; F364-V372 HydrophobicContact CZ-CG2 4.25Å; F364-V372 PolarHBondContact N-O 3.24Å; F364-V372 VanDerWaalsContact N-O 3.11Å; F364-V372 PolarHBondContact O-N 3.08Å; F364-N378 WeakPolarHBondContact CD1-ND2 3.27Å
365V97.2Very high91.8Very high0 Ų066.9 Ų66.90%037%0.367CS..EExtended strand (participates in β ladder)trans-93.7126.1168.564.30000110.7R21 F22 L214 K217 G369 N370R21-V365 PolarHBondContact NH2-O 2.59Å; F22-V365 HydrophobicContact CD2-CG1 4.38Å; F22-V365 HydrophobicContact CE2-CG1 3.88Å; F22-V365 HydrophobicContact CE2-CG2 4.06Å; F22-V365 HydrophobicContact CZ-CG2 4.39Å; L214-V365 HydrophobicContact CB-CG1 3.62Å; L214-V365 HydrophobicContact CD1-CG1 4.49Å; L214-V365 PolarHBondContact O-N 3.31Å; K217-V365 HydrophobicContact CG-CG2 4.27Å; V365-G369 VanDerWaalsContact CG2-CA 3.45Å; V365-N370 WeakPolarHBondContact CA-O 3.26Å
366D94.9Very high92.2Very high37 Ų3769.9 Ų69.920%0.19838%0.375CS..  trans-70.6-179.2178.47512.3000112.3F22 F364 C368 G369 N370 V372F22-D366 VanDerWaalsContact CZ-O 3.22Å; F22-D366 WeakPolarHBondContact CZ-O 3.34Å; F364-D366 HydrophobicContact CE2-CB 4.25Å; D366-C368 PolarHBondContact O-N 3.36Å; D366-C368 WeakPolarHBondContact OD1-CA 3.41Å; D366-C368 WeakPolarHBondContact OD1-CB 3.15Å; D366-C368 PolarHBondContact OD1-N 3.49Å; D366-G369 PolarHBondContact O-N 2.77Å; D366-G369 PolarHBondContact OD1-N 2.88Å; D366-N370 PolarHBondContact N-O 2.84Å; D366-N370 PolarHBondContact OD1-N 2.79Å; D366-N370 PolarHBondContact OD1-ND2 2.67Å; D366-N370 WeakPolarHBondContact OD2-CB 3.39Å; D366-N370 PolarHBondContact OD2-ND2 2.78Å; D366-V372 HydrophobicContact CB-CG2 4.01Å
367S92.9Very high92.5Very high94 Ų9470.7 Ų70.766%0.65738%0.383SS*.THydrogen-bonded Turntrans-66.4-18.6179.252.90000114.5
368C93.9Very high92.9Very high94 Ų9470 Ų7064%0.63538%0.377SS*.THydrogen-bonded Turntrans-95.4-1.4-180-620000112.2D366 N370D366-C368 PolarHBondContact O-N 3.36Å; D366-C368 WeakPolarHBondContact OD1-CA 3.41Å; D366-C368 WeakPolarHBondContact OD1-CB 3.15Å; D366-C368 PolarHBondContact OD1-N 3.49Å; C368-N370 WeakPolarHBondContact CB-ND2 3.04Å
369G94Very high93.3Very high16 Ų1669.2 Ų69.217%0.16537%0.371CS..SBendtrans87.512.4-178.500000114.5V365 D366V365-G369 VanDerWaalsContact CG2-CA 3.45Å; D366-G369 PolarHBondContact O-N 2.77Å; D366-G369 PolarHBondContact OD1-N 2.88Å
370N96.2Very high93.5Very high92 Ų9264.8 Ų64.849%0.49235%0.348SS..  trans-89142178.4-49.7-62.7000111.6V365 D366 C368V365-N370 WeakPolarHBondContact CA-O 3.26Å; D366-N370 PolarHBondContact N-O 2.84Å; D366-N370 PolarHBondContact OD1-N 2.79Å; D366-N370 PolarHBondContact OD1-ND2 2.67Å; D366-N370 WeakPolarHBondContact OD2-CB 3.39Å; D366-N370 PolarHBondContact OD2-ND2 2.78Å; C368-N370 WeakPolarHBondContact CB-ND2 3.04Å
371Q96.8Very high93.6Very high109 Ų10962.9 Ų62.951%0.50934%0.34SS..EExtended strand (participates in β ladder)trans-74125.2174-77.4-68.8-28.400111.3E215 D216E215-Q371 PolarHBondContact O-NE2 2.85Å; E215-Q371 PolarHBondContact O-OE1 3.16Å; D216-Q371 VanDerWaalsContact CG-NE2 3.3Å; D216-Q371 PolarHBondContact OD1-NE2 3.15Å
372V96.4Very high93.5Very high45 Ų4557.7 Ų57.727%0.27332%0.318SS..EExtended strand (participates in β ladder)trans-121.8129-177.8-178.30000110.6P363 F364 D366P363-V372 WeakPolarHBondContact CA-O 3.4Å; F364-V372 HydrophobicContact CD1-CB 4.08Å; F364-V372 HydrophobicContact CD1-CG1 4.3Å; F364-V372 HydrophobicContact CE1-CB 3.68Å; F364-V372 HydrophobicContact CE1-CG1 3.51Å; F364-V372 HydrophobicContact CE2-CB 4.41Å; F364-V372 HydrophobicContact CZ-CB 3.86Å; F364-V372 HydrophobicContact CZ-CG1 3.8Å; F364-V372 HydrophobicContact CZ-CG2 4.25Å; F364-V372 PolarHBondContact N-O 3.24Å; F364-V372 VanDerWaalsContact N-O 3.11Å; F364-V372 PolarHBondContact O-N 3.08Å; D366-V372 HydrophobicContact CB-CG2 4.01Å
373K94.6Very high93.3Very high186 Ų18659.9 Ų59.981%0.80933%0.327SS*.  trans-101.7107.2167.7-70.2-177.4-177.5176.60108.9
374P92.6Very high93.2Very high25 Ų2559.7 Ų59.716%0.16232%0.32CS..  trans-71.1141.4-173.327.3-33.7000112K361 V362 N378K361-P374 HydrophobicContact CB-CG 4.04Å; V362-P374 WeakPolarHBondContact O-CG 3.33Å; P374-N378 HydrophobicContact CB-CB 4.33Å; P374-N378 VanDerWaalsContact CG-OD1 3.28Å; P374-N378 WeakPolarHBondContact CG-OD1 3.49Å
375T92.1Very high93Very high114 Ų11458.8 Ų58.870%0.69932%0.316SS*.SBendtrans-86-24.7175.453.20000112.6K361K361-T375 WeakPolarHBondContact CE-O 3.22Å; K361-T375 PolarHBondContact NZ-O 3.04Å
376E91.8Very high93Very high132 Ų13258.8 Ų58.862%0.61732%0.316SS*.SBendtrans-119.6158176.4-66.3-53.4140.900111N378E376-N378 PolarHBondContact O-N 3.13Å
377P92.2Very high93Very high49 Ų4957.4 Ų57.432%0.31831%0.308SS..  trans-55.4128.9174.6-23.834.6000111.6F208 L359 K360F208-P377 WeakPolarHBondContact CE2-O 3.49Å; F208-P377 HydrophobicContact CZ-CB 4.29Å; F208-P377 WeakPolarHBondContact CZ-O 3.5Å; L359-P377 HydrophobicContact CB-CB 4.16Å; K360-P377 WeakPolarHBondContact O-CA 3.44Å
378N93.7Very high93.2Very high33 Ų3354.4 Ų54.418%0.17629%0.285CS..  trans-126.8-4.2-177.967.2-47.7000112.8K360 V362 F364 P374 E376K360-N378 PolarHBondContact O-N 2.88Å; K360-N378 VanDerWaalsContact O-N 3.07Å; K360-N378 PolarHBondContact O-OD1 3.13Å; V362-N378 PolarHBondContact N-OD1 2.93Å; V362-N378 PolarHBondContact O-ND2 3.15Å; V362-N378 PolarHBondContact O-OD1 3.16Å; F364-N378 WeakPolarHBondContact CD1-ND2 3.27Å; P374-N378 HydrophobicContact CB-CB 4.33Å; P374-N378 VanDerWaalsContact CG-OD1 3.28Å; P374-N378 WeakPolarHBondContact CG-OD1 3.49Å; E376-N378 PolarHBondContact O-N 3.13Å
379G92.3Very high93.3Very high0 Ų049.9 Ų49.90%026%0.255CS..EExtended strand (participates in β ladder)trans-145.8160.7-177.500000113.4V206 K360V206-G379 CarbonylContact O-C 3.55Å; V206-G379 WeakPolarHBondContact O-CA 3.32Å; K360-G379 PolarHBondContact N-O 2.92Å; K360-G379 PolarHBondContact O-N 3.46Å
380I90.6Very high93.5Very high1 Ų149.1 Ų49.11%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-109134.8176.9-59.5157.4000107.8A53 A57 V206 F208 V357 L359 M382A53-I380 HydrophobicContact CB-CD1 4.35Å; A53-I380 HydrophobicContact CB-CG2 4.15Å; A53-I380 WeakPolarHBondContact O-CD1 3.3Å; A57-I380 HydrophobicContact CB-CD1 3.38Å; A57-I380 HydrophobicContact CB-CG1 4.05Å; V206-I380 HydrophobicContact CG2-CB 4.08Å; V206-I380 HydrophobicContact CG2-CD1 4.41Å; V206-I380 PolarHBondContact N-O 2.83Å; V206-I380 VanDerWaalsContact N-O 3.17Å; V206-I380 PolarHBondContact O-N 2.79Å; F208-I380 HydrophobicContact CD1-CD1 3.92Å; F208-I380 HydrophobicContact CD1-CG1 3.69Å; F208-I380 HydrophobicContact CE1-CG1 4Å; V357-I380 HydrophobicContact CG1-CG2 3.94Å; V357-I380 HydrophobicContact CG2-CG2 4.49Å; L359-I380 HydrophobicContact CD2-CG1 4.19Å; I380-M382 HydrophobicContact CG2-CG 4.4Å; I380-M382 HydrophobicContact CG2-SD 4.04Å
381K89.8Confident93.5Very high51 Ų5147 Ų4722%0.22224%0.238CC..EExtended strand (participates in β ladder)trans-113.4129.8162.3-61.1-169.7176.4-163.60108.1A205 A223 A358 K360A205-K381 HydrophobicContact CB-CG 4.46Å; A223-K381 HydrophobicContact CB-CD 3.49Å; A223-K381 VanDerWaalsContact CB-CD 3.49Å; A223-K381 HydrophobicContact CB-CG 4.13Å; A358-K381 HydrophobicContact CB-CB 4.48Å; A358-K381 PolarHBondContact N-O 3.49Å; A358-K381 PolarHBondContact O-N 3.41Å; K360-K381 HydrophobicContact CG-CD 3.87Å; K360-K381 HydrophobicContact CG-CG 3.99Å
382M88.1Confident93.6Very high9 Ų943.9 Ų43.94%0.04422%0.223CC..EExtended strand (participates in β ladder)trans-90.9126.1174.3-62.5-66-89.300108.1A52 A53 A56 I203 P355 H356 V357 I380A52-M382 HydrophobicContact CB-CE 4.45Å; A53-M382 HydrophobicContact CB-CG 3.97Å; A53-M382 HydrophobicContact CB-SD 4.03Å; A56-M382 HydrophobicContact CB-CE 4.4Å; I203-M382 HydrophobicContact CD1-CB 3.88Å; I203-M382 WeakPolarHBondContact CD1-O 3.23Å; P355-M382 HydrophobicContact CB-CB 4.3Å; P355-M382 HydrophobicContact CB-CE 3.48Å; P355-M382 VanDerWaalsContact CB-CE 3.48Å; P355-M382 HydrophobicContact CB-SD 4.48Å; P355-M382 HydrophobicContact CG-CE 3.45Å; P355-M382 VanDerWaalsContact CG-CE 3.45Å; H356-M382 WeakPolarHBondContact O-CA 3.37Å; V357-M382 HydrophobicContact CG2-SD 3.82Å; I380-M382 HydrophobicContact CG2-CG 4.4Å; I380-M382 HydrophobicContact CG2-SD 4.04Å
383E88.5Confident93.6Very high53 Ų5342.7 Ų42.725%0.24822%0.216CC..EExtended strand (participates in β ladder)trans-127.1134.4-178.4-66.6-179.9157.400109.1H356 F385H356-E383 WeakPolarHBondContact CB-O 3.12Å; H356-E383 PolarHBondContact CD2-O 3.35Å; H356-E383 PolarHBondContact N-O 2.91Å; H356-E383 PolarHBondContact O-N 3.27Å; E383-F385 HydrophobicContact CB-CE1 4.26Å
384K91.5Very high93.7Very high56 Ų5642.5 Ų42.524%0.24321%0.21CC..  trans-89.7149.2164.2-70.8-179.1175.2-174.80109.1D225 G226 N227 G228 K350 L353D225-K384 PolarHBondContact O-N 2.91Å; G226-K384 CarbonylContact C-O 3.55Å; G226-K384 WeakPolarHBondContact CA-O 3.41Å; N227-K384 PolarHBondContact N-O 3.29Å; N227-K384 PolarHBondContact OD1-O 2.83Å; G228-K384 WeakPolarHBondContact CA-O 3.41Å; G228-K384 PolarHBondContact N-O 3.02Å; K350-K384 PolarHBondContact O-NZ 3.09Å; L353-K384 HydrophobicContact CB-CD 3.89Å; L353-K384 HydrophobicContact CB-CG 4.39Å; L353-K384 HydrophobicContact CD1-CD 4.29Å
385F93.4Very high93.9Very high38 Ų3843.2 Ų43.217%0.16722%0.216CC..  trans-104.5139.4174.6-60.7-34000113.3N227 E307 H356 E383 F387 D388N227-F385 VanDerWaalsContact OD1-CA 3.27Å; N227-F385 WeakPolarHBondContact OD1-CA 3.41Å; E307-F385 HydrophobicContact CG-CD2 4.44Å; E307-F385 HydrophobicContact CG-CE2 4.04Å; H356-F385 HydrophobicContact CB-CE2 3.84Å; H356-F385 HydrophobicContact CB-CZ 3.83Å; H356-F385 AromaticContact CD2-CD2 3.33Å; H356-F385 WeakPolarHBondContact CD2-CD2 3.5Å; H356-F385 AromaticContact CD2-CE2 3.53Å; H356-F385 AromaticContact CD2-CG 3.84Å; H356-F385 AromaticContact CE1-CD2 3.65Å; H356-F385 AromaticContact CE1-CE2 3.73Å; H356-F385 AromaticContact CG-CD2 3.71Å; H356-F385 AromaticContact CG-CE2 3.37Å; H356-F385 AromaticContact CG-CZ 3.89Å; H356-F385 AromaticContact ND1-CD2 3.94Å; H356-F385 AromaticContact ND1-CE2 3.56Å; H356-F385 AromaticContact NE2-CD2 3.29Å; H356-F385 VanDerWaalsContact NE2-CD2 3.29Å; H356-F385 WeakPolarHBondContact NE2-CD2 3.19Å; H356-F385 AromaticContact NE2-CE2 3.75Å; E383-F385 HydrophobicContact CB-CE1 4.26Å; F385-F387 HydrophobicContact CB-CD1 4.35Å; F385-F387 HydrophobicContact CB-CD2 3.92Å; F385-F387 HydrophobicContact CB-CE1 3.92Å; F385-F387 HydrophobicContact CB-CE2 3.44Å; F385-F387 VanDerWaalsContact CB-CE2 3.44Å; F385-F387 HydrophobicContact CB-CG 4.37Å; F385-F387 HydrophobicContact CB-CZ 3.44Å; F385-F387 VanDerWaalsContact CB-CZ 3.44Å; F385-F387 HydrophobicContact CD1-CZ 4.47Å; F385-F387 AromaticContact CD2-CE2 3.61Å; F385-F387 HydrophobicContact CD2-CE2 3.61Å; F385-F387 AromaticContact CD2-CZ 3.47Å; F385-F387 HydrophobicContact CD2-CZ 3.47Å; F385-F387 VanDerWaalsContact CD2-CZ 3.47Å; F385-F387 HydrophobicContact CE2-CZ 4.32Å; F385-F387 HydrophobicContact CG-CE1 4.26Å; F385-F387 AromaticContact CG-CE2 3.87Å; F385-F387 HydrophobicContact CG-CE2 3.87Å; F385-F387 AromaticContact CG-CZ 3.56Å; F385-F387 HydrophobicContact CG-CZ 3.56Å; F385-F387 PolarHBondContact O-N 2.96Å; F385-F387 VanDerWaalsContact O-N 3.13Å; F385-D388 PolarHBondContact N-OD2 3.16Å; F385-D388 WeakPolarHBondContact O-CB 3.27Å; F385-D388 PolarHBondContact O-N 3.43Å; F385-D388 VanDerWaalsContact O-N 3.14Å
386V96.1Very high94.3Very high0 Ų038.9 Ų38.90%019%0.188CC..THydrogen-bonded Turntrans-66-11-178.772.30000113.9L112 N227 L230 Y231 I253L112-V386 HydrophobicContact CD1-CB 4.33Å; L112-V386 HydrophobicContact CD1-CG1 4.01Å; L112-V386 HydrophobicContact CD1-CG2 4.2Å; N227-V386 HydrophobicContact CB-CB 4.36Å; N227-V386 PolarHBondContact OD1-N 3.45Å; L230-V386 HydrophobicContact CD2-CG2 3.79Å; Y231-V386 VanDerWaalsContact OH-C 3.32Å; Y231-V386 PolarHBondContact OH-O 3.36Å; I253-V386 HydrophobicContact CG2-CG2 4.36Å
387F96.2Very high94.6Very high8 Ų832.9 Ų32.94%0.03516%0.16CC..THydrogen-bonded Turntrans-103.5-4.9177.647.5-109.8000112.8V305 E307 N331 F385 V389 F390V305-F387 HydrophobicContact CB-CB 4.37Å; V305-F387 HydrophobicContact CB-CD2 3.52Å; V305-F387 HydrophobicContact CB-CE2 3.83Å; V305-F387 HydrophobicContact CB-CG 3.89Å; V305-F387 HydrophobicContact CB-CZ 4.45Å; V305-F387 HydrophobicContact CG1-CD2 4.21Å; V305-F387 HydrophobicContact CG1-CE2 4.11Å; V305-F387 HydrophobicContact CG1-CG 4.45Å; V305-F387 HydrophobicContact CG1-CZ 4.28Å; V305-F387 HydrophobicContact CG2-CB 3.7Å; V305-F387 HydrophobicContact CG2-CD1 4.34Å; V305-F387 HydrophobicContact CG2-CD2 3.83Å; V305-F387 HydrophobicContact CG2-CG 3.69Å; E307-F387 HydrophobicContact CG-CZ 4.04Å; E307-F387 WeakPolarHBondContact OE1-CE1 3.3Å; E307-F387 WeakPolarHBondContact OE1-CZ 3.21Å; N331-F387 WeakPolarHBondContact ND2-CD1 3.15Å; F385-F387 HydrophobicContact CB-CD1 4.35Å; F385-F387 HydrophobicContact CB-CD2 3.92Å; F385-F387 HydrophobicContact CB-CE1 3.92Å; F385-F387 HydrophobicContact CB-CE2 3.44Å; F385-F387 VanDerWaalsContact CB-CE2 3.44Å; F385-F387 HydrophobicContact CB-CG 4.37Å; F385-F387 HydrophobicContact CB-CZ 3.44Å; F385-F387 VanDerWaalsContact CB-CZ 3.44Å; F385-F387 HydrophobicContact CD1-CZ 4.47Å; F385-F387 AromaticContact CD2-CE2 3.61Å; F385-F387 HydrophobicContact CD2-CE2 3.61Å; F385-F387 AromaticContact CD2-CZ 3.47Å; F385-F387 HydrophobicContact CD2-CZ 3.47Å; F385-F387 VanDerWaalsContact CD2-CZ 3.47Å; F385-F387 HydrophobicContact CE2-CZ 4.32Å; F385-F387 HydrophobicContact CG-CE1 4.26Å; F385-F387 AromaticContact CG-CE2 3.87Å; F385-F387 HydrophobicContact CG-CE2 3.87Å; F385-F387 AromaticContact CG-CZ 3.56Å; F385-F387 HydrophobicContact CG-CZ 3.56Å; F385-F387 PolarHBondContact O-N 2.96Å; F385-F387 VanDerWaalsContact O-N 3.13Å; F387-V389 PolarHBondContact O-N 2.89Å; F387-F390 HydrophobicContact CB-CD1 4.38Å; F387-F390 HydrophobicContact CB-CD2 4.16Å; F387-F390 HydrophobicContact CB-CE1 3.92Å; F387-F390 HydrophobicContact CB-CE2 3.7Å; F387-F390 HydrophobicContact CB-CG 4.49Å; F387-F390 HydrophobicContact CB-CZ 3.55Å; F387-F390 WeakPolarHBondContact O-CB 3.39Å; F387-F390 WeakPolarHBondContact O-CD1 3.35Å; F387-F390 WeakPolarHBondContact O-CG 3.31Å; F387-F390 PolarHBondContact O-N 3.36Å
388D95.5Very high94.9Very high31 Ų3130.5 Ų30.517%0.16615%0.145CC..THydrogen-bonded Turntrans-68.6-2.8177.6-71.8-20.5000112.9L353 H356 F385 P391L353-D388 HydrophobicContact CD2-CB 3.73Å; H356-D388 IonicContact CD2-OD2 3.22Å; H356-D388 PolarHBondContact CD2-OD2 3.2Å; H356-D388 IonicContact CE1-OD2 3.63Å; H356-D388 IonicContact NE2-OD1 3.48Å; H356-D388 IonicContact NE2-OD2 2.99Å; H356-D388 PolarHBondContact NE2-OD2 3.5Å; F385-D388 PolarHBondContact N-OD2 3.16Å; F385-D388 WeakPolarHBondContact O-CB 3.27Å; F385-D388 PolarHBondContact O-N 3.43Å; F385-D388 VanDerWaalsContact O-N 3.14Å; D388-P391 WeakPolarHBondContact O-CD 3.36Å
389V97.4Very high95.1Very high0 Ų029 Ų290%014%0.136CC..THydrogen-bonded Turntrans-87.4-13.7172.1-62.10000114.1Y231 F337 F341 V345 L353 F387 F392Y231-V389 HydrophobicContact CD2-CG1 4.13Å; Y231-V389 HydrophobicContact CE1-CG1 3.89Å; Y231-V389 HydrophobicContact CE1-CG2 4.38Å; Y231-V389 HydrophobicContact CE2-CG1 3.42Å; Y231-V389 VanDerWaalsContact CE2-CG1 3.42Å; Y231-V389 WeakPolarHBondContact OH-CG1 3.42Å; Y231-V389 WeakPolarHBondContact OH-CG2 3.15Å; F337-V389 HydrophobicContact CE1-CG2 4.25Å; F337-V389 HydrophobicContact CZ-CG2 3.93Å; F341-V389 HydrophobicContact CE1-CB 4.43Å; F341-V389 HydrophobicContact CE1-CG2 3.99Å; F341-V389 HydrophobicContact CZ-CB 4.12Å; F341-V389 HydrophobicContact CZ-CG2 4.11Å; F341-V389 WeakPolarHBondContact CZ-O 3.36Å; V345-V389 HydrophobicContact CB-CG1 4.47Å; V345-V389 HydrophobicContact CG1-CG1 3.58Å; V345-V389 HydrophobicContact CG2-CB 4.03Å; V345-V389 HydrophobicContact CG2-CG1 3.99Å; L353-V389 HydrophobicContact CD1-CG1 4.29Å; L353-V389 HydrophobicContact CD2-CG1 3.81Å; F387-V389 PolarHBondContact O-N 2.89Å; V389-F392 HydrophobicContact CB-CD2 4.09Å; V389-F392 HydrophobicContact CG1-CD2 4.35Å; V389-F392 WeakPolarHBondContact O-CB 3.35Å; V389-F392 WeakPolarHBondContact O-CD2 3.48Å; V389-F392 PolarHBondContact O-N 2.79Å
390F97.8Very high95.4Very high0 Ų029.4 Ų29.40%014%0.138CC..G310 helixtrans-52.4-38.3-179.7-64.4-4.7000112.9C279 A281 P303 V305 H335 F337 F387 F392 S393 F396C279-F390 VanDerWaalsContact SG-CD1 3.52Å; A281-F390 HydrophobicContact CB-CE2 4.01Å; A281-F390 HydrophobicContact CB-CZ 3.97Å; P303-F390 CarbonylContact O-C 3.48Å; P303-F390 WeakPolarHBondContact O-CB 3.45Å; V305-F390 HydrophobicContact CG2-CD2 3.9Å; V305-F390 HydrophobicContact CG2-CE2 3.53Å; H335-F390 AromaticContact CD2-CZ 3.55Å; H335-F390 AromaticContact NE2-CZ 3.66Å; F337-F390 HydrophobicContact CE1-CD1 4.34Å; F337-F390 AromaticContact CE1-CE1 3.93Å; F337-F390 HydrophobicContact CE1-CE1 3.93Å; F337-F390 HydrophobicContact CZ-CE1 4.06Å; F387-F390 HydrophobicContact CB-CD1 4.38Å; F387-F390 HydrophobicContact CB-CD2 4.16Å; F387-F390 HydrophobicContact CB-CE1 3.92Å; F387-F390 HydrophobicContact CB-CE2 3.7Å; F387-F390 HydrophobicContact CB-CG 4.49Å; F387-F390 HydrophobicContact CB-CZ 3.55Å; F387-F390 WeakPolarHBondContact O-CB 3.39Å; F387-F390 WeakPolarHBondContact O-CD1 3.35Å; F387-F390 WeakPolarHBondContact O-CG 3.31Å; F387-F390 PolarHBondContact O-N 3.36Å; F390-F392 PolarHBondContact O-N 2.91Å; F390-S393 VanDerWaalsContact O-CB 3.3Å; F390-S393 WeakPolarHBondContact O-CB 3.34Å; F390-S393 PolarHBondContact O-N 3.09Å; F390-F396 HydrophobicContact CB-CD2 4.32Å; F390-F396 HydrophobicContact CB-CE2 4.01Å; F390-F396 AromaticContact CD1-CE2 3.82Å; F390-F396 HydrophobicContact CD1-CE2 3.82Å; F390-F396 AromaticContact CD2-CE2 3.53Å; F390-F396 HydrophobicContact CD2-CE2 3.53Å; F390-F396 AromaticContact CD2-CZ 3.6Å; F390-F396 HydrophobicContact CD2-CZ 3.6Å; F390-F396 HydrophobicContact CE1-CE2 4.13Å; F390-F396 AromaticContact CE2-CE2 3.84Å; F390-F396 HydrophobicContact CE2-CE2 3.84Å; F390-F396 AromaticContact CE2-CZ 3.79Å; F390-F396 HydrophobicContact CE2-CZ 3.79Å; F390-F396 HydrophobicContact CG-CD2 4.24Å; F390-F396 AromaticContact CG-CE2 3.51Å; F390-F396 HydrophobicContact CG-CE2 3.51Å; F390-F396 HydrophobicContact CG-CZ 4.08Å; F390-F396 HydrophobicContact CZ-CE2 4.13Å; F390-F396 HydrophobicContact CZ-CZ 4.42Å
391P96.9Very high95.8Very high46 Ų4629.6 Ų29.630%0.29914%0.14SC..G310 helixtrans-54.6-23.9173.8-3340.4000116.3V302 P303 Q304 D388V302-P391 VanDerWaalsContact CG1-CA 3.41Å; V302-P391 HydrophobicContact CG1-CB 3.49Å; V302-P391 VanDerWaalsContact CG1-CB 3.49Å; V302-P391 HydrophobicContact CG1-CG 4.04Å; P303-P391 VanDerWaalsContact O-CD 3.31Å; P303-P391 WeakPolarHBondContact O-CD 3.49Å; P303-P391 WeakPolarHBondContact O-CG 3.49Å; P303-P391 VanDerWaalsContact O-N 3.16Å; Q304-P391 HydrophobicContact CB-CG 4.32Å; D388-P391 WeakPolarHBondContact O-CD 3.36Å
392F97.3Very high96.1Very high45 Ų4532.2 Ų32.220%0.19715%0.148CC..G310 helixtrans-90.8-4.9-178.2-49.2-53.5000113.2F341 F349 Q352 L353 V389 F390F341-F392 HydrophobicContact CE2-CB 4.19Å; F349-F392 HydrophobicContact CB-CD1 4.14Å; F349-F392 HydrophobicContact CB-CD2 3.53Å; F349-F392 HydrophobicContact CB-CE1 4.19Å; F349-F392 HydrophobicContact CB-CE2 3.62Å; F349-F392 HydrophobicContact CB-CG 3.82Å; F349-F392 HydrophobicContact CB-CZ 3.95Å; F349-F392 HydrophobicContact CD1-CB 4.45Å; F349-F392 AromaticContact CD1-CD1 3.58Å; F349-F392 HydrophobicContact CD1-CD1 3.58Å; F349-F392 HydrophobicContact CD1-CD2 4.47Å; F349-F392 AromaticContact CD1-CE1 3.87Å; F349-F392 HydrophobicContact CD1-CE1 3.87Å; F349-F392 AromaticContact CD1-CG 3.92Å; F349-F392 HydrophobicContact CD1-CG 3.92Å; F349-F392 HydrophobicContact CD1-CZ 4.46Å; F349-F392 HydrophobicContact CD2-CB 3.85Å; F349-F392 HydrophobicContact CD2-CD1 4.44Å; F349-F392 HydrophobicContact CD2-CD2 4.36Å; F349-F392 AromaticContact CD2-CG 3.98Å; F349-F392 HydrophobicContact CD2-CG 3.98Å; F349-F392 HydrophobicContact CE1-CD1 4.06Å; F349-F392 HydrophobicContact CE2-CB 4.1Å; F349-F392 HydrophobicContact CG-CB 4.06Å; F349-F392 AromaticContact CG-CD1 3.82Å; F349-F392 HydrophobicContact CG-CD1 3.82Å; F349-F392 AromaticContact CG-CD2 3.91Å; F349-F392 HydrophobicContact CG-CD2 3.91Å; F349-F392 HydrophobicContact CG-CE1 4.24Å; F349-F392 HydrophobicContact CG-CE2 4.34Å; F349-F392 AromaticContact CG-CG 3.65Å; F349-F392 HydrophobicContact CG-CG 3.65Å; F349-F392 HydrophobicContact CG-CZ 4.49Å; Q352-F392 HydrophobicContact CB-CZ 4.04Å; L353-F392 HydrophobicContact CD2-CE2 3.89Å; V389-F392 HydrophobicContact CB-CD2 4.09Å; V389-F392 HydrophobicContact CG1-CD2 4.35Å; V389-F392 WeakPolarHBondContact O-CB 3.35Å; V389-F392 WeakPolarHBondContact O-CD2 3.48Å; V389-F392 PolarHBondContact O-N 2.79Å; F390-F392 PolarHBondContact O-N 2.91Å
393S97.7Very high96.5Very high19 Ų1934.3 Ų34.313%0.13316%0.156CC..  trans-69.3138.4179.1169.30000111.5D278 C279 F390 S395 F396D278-S393 PolarHBondContact OD1-OG 3.47Å; C279-S393 WeakPolarHBondContact CB-OG 3.4Å; F390-S393 VanDerWaalsContact O-CB 3.3Å; F390-S393 WeakPolarHBondContact O-CB 3.34Å; F390-S393 PolarHBondContact O-N 3.09Å; S393-S395 PolarHBondContact OG-N 3.06Å; S393-S395 PolarHBondContact OG-O 3.21Å; S393-F396 PolarHBondContact OG-N 2.91Å
394R96.8Very high96.7Very high182 Ų18233.5 Ų33.569%0.68715%0.152SC*.SBendtrans-81.8-32.2171.7-68171-80.5-150-18.4112.1D278 D344D278-R394 PolarHBondContact OD1-N 3.36Å; D278-R394 WeakPolarHBondContact OD2-CB 3.46Å; D278-R394 PolarHBondContact OD2-N 3.1Å; D278-R394 IonicContact OD2-NE 3.42Å; D278-R394 PolarHBondContact OD2-NE 2.91Å; D344-R394 IonicContact OD2-CZ 2.75Å; D344-R394 IonicContact OD2-NH2 2.65Å; D344-R394 PolarHBondContact OD2-NH2 3.11Å
395S97.6Very high96.9Very high40 Ų4031.8 Ų31.828%0.2815%0.145SC..SBendtrans-142.195.7-177.6-174.60000109G276 A277 D278 C279 S393G276-S395 PolarHBondContact O-OG 2.92Å; A277-S395 WeakPolarHBondContact CA-O 3.33Å; A277-S395 WeakPolarHBondContact CB-O 3.39Å; D278-S395 PolarHBondContact N-O 3.04Å; D278-S395 VanDerWaalsContact N-O 3.09Å; D278-S395 PolarHBondContact OD1-N 2.77Å; D278-S395 VanDerWaalsContact OD1-O 3.06Å; C279-S395 PolarHBondContact N-O 3.2Å; S393-S395 PolarHBondContact OG-N 3.06Å; S393-S395 PolarHBondContact OG-O 3.21Å
396F98.6Very high97.1Very high23 Ų2330.4 Ų30.410%0.10114%0.139CC..EExtended strand (participates in β ladder)trans-99.8131.4-178.9-175.6-98.1000111.3C279 A281 V296 P303 F390 S393 V398C279-F396 HydrophobicContact CB-CD2 4.02Å; C279-F396 WeakPolarHBondContact O-CA 3.36Å; C279-F396 WeakPolarHBondContact SG-CD2 3.44Å; A281-F396 HydrophobicContact CB-CE2 4.22Å; A281-F396 HydrophobicContact CB-CZ 3.72Å; V296-F396 HydrophobicContact CG1-CE1 3.76Å; V296-F396 HydrophobicContact CG1-CZ 3.86Å; P303-F396 HydrophobicContact CB-CB 4.08Å; P303-F396 HydrophobicContact CB-CD1 3.5Å; P303-F396 HydrophobicContact CB-CD2 4.33Å; P303-F396 HydrophobicContact CB-CE1 3.94Å; P303-F396 HydrophobicContact CB-CG 3.71Å; P303-F396 HydrophobicContact CG-CB 3.79Å; P303-F396 HydrophobicContact CG-CD1 4.2Å; P303-F396 HydrophobicContact CG-CD2 4.49Å; P303-F396 HydrophobicContact CG-CG 3.92Å; F390-F396 HydrophobicContact CB-CD2 4.32Å; F390-F396 HydrophobicContact CB-CE2 4.01Å; F390-F396 AromaticContact CD1-CE2 3.82Å; F390-F396 HydrophobicContact CD1-CE2 3.82Å; F390-F396 AromaticContact CD2-CE2 3.53Å; F390-F396 HydrophobicContact CD2-CE2 3.53Å; F390-F396 AromaticContact CD2-CZ 3.6Å; F390-F396 HydrophobicContact CD2-CZ 3.6Å; F390-F396 HydrophobicContact CE1-CE2 4.13Å; F390-F396 AromaticContact CE2-CE2 3.84Å; F390-F396 HydrophobicContact CE2-CE2 3.84Å; F390-F396 AromaticContact CE2-CZ 3.79Å; F390-F396 HydrophobicContact CE2-CZ 3.79Å; F390-F396 HydrophobicContact CG-CD2 4.24Å; F390-F396 AromaticContact CG-CE2 3.51Å; F390-F396 HydrophobicContact CG-CE2 3.51Å; F390-F396 HydrophobicContact CG-CZ 4.08Å; F390-F396 HydrophobicContact CZ-CE2 4.13Å; F390-F396 HydrophobicContact CZ-CZ 4.42Å; S393-F396 PolarHBondContact OG-N 2.91Å; F396-V398 HydrophobicContact CD1-CG2 4.18Å; F396-V398 HydrophobicContact CE1-CG2 3.41Å; F396-V398 VanDerWaalsContact CE1-CG2 3.41Å; F396-V398 HydrophobicContact CZ-CG2 4.08Å
397V98.7Very high97.2Very high6 Ų631.4 Ų31.44%0.03614%0.144CC..EExtended strand (participates in β ladder)trans-130155.7177.2-61.30000112.3S79 F271 C272 K275 A277 C279 G280 A281S79-V397 CarbonylContact O-C 3.57Å; S79-V397 WeakPolarHBondContact O-CA 3.43Å; F271-V397 HydrophobicContact CD1-CG2 4.14Å; F271-V397 HydrophobicContact CE1-CB 3.69Å; F271-V397 HydrophobicContact CE1-CG2 3.54Å; F271-V397 HydrophobicContact CZ-CB 3.96Å; F271-V397 HydrophobicContact CZ-CG2 4.26Å; C272-V397 HydrophobicContact CB-CG2 4.42Å; K275-V397 HydrophobicContact CB-CG1 3.86Å; K275-V397 HydrophobicContact CG-CG1 4.23Å; A277-V397 HydrophobicContact CB-CB 4.32Å; A277-V397 HydrophobicContact CB-CG1 3.94Å; A277-V397 HydrophobicContact CB-CG2 3.48Å; A277-V397 VanDerWaalsContact CB-CG2 3.48Å; C279-V397 PolarHBondContact O-N 3.17Å; C279-V397 VanDerWaalsContact O-N 3.16Å; G280-V397 CarbonylContact C-O 3.56Å; G280-V397 WeakPolarHBondContact CA-O 3.39Å; A281-V397 PolarHBondContact N-O 2.72Å
398V98.7Very high97.2Very high0 Ų031.1 Ų31.10%014%0.142CC..EExtended strand (participates in β ladder)trans-124.6133179.7178.90000109.4V75 S79 M80 G81 F271 A281 V283 V296 F396V75-V398 HydrophobicContact CG1-CB 4.1Å; V75-V398 HydrophobicContact CG1-CG2 3.76Å; V75-V398 HydrophobicContact CG2-CG2 4.14Å; S79-V398 PolarHBondContact O-N 2.89Å; M80-V398 CarbonylContact C-O 3.51Å; M80-V398 VanDerWaalsContact CA-O 3.29Å; M80-V398 WeakPolarHBondContact CA-O 3.41Å; M80-V398 HydrophobicContact CE-CB 4.38Å; M80-V398 HydrophobicContact CE-CG1 3.91Å; G81-V398 PolarHBondContact N-O 3.43Å; F271-V398 WeakPolarHBondContact CZ-O 3.21Å; A281-V398 CarbonylContact O-C 3.55Å; A281-V398 VanDerWaalsContact O-CA 3.27Å; A281-V398 WeakPolarHBondContact O-CA 3.29Å; V283-V398 HydrophobicContact CB-CG1 4.24Å; V283-V398 HydrophobicContact CG1-CG1 3.79Å; V283-V398 HydrophobicContact CG2-CG1 3.4Å; V283-V398 VanDerWaalsContact CG2-CG1 3.4Å; V296-V398 HydrophobicContact CG1-CG2 3.84Å; F396-V398 HydrophobicContact CD1-CG2 4.18Å; F396-V398 HydrophobicContact CE1-CG2 3.41Å; F396-V398 VanDerWaalsContact CE1-CG2 3.41Å; F396-V398 HydrophobicContact CZ-CG2 4.08Å
399L98.8Very high97.2Very high0 Ų029.9 Ų29.90%014%0.136CC..EExtended strand (participates in β ladder)trans-114.8112.9172.1-176.663.5000109.8W94 F268 F271 A281 K282 V283 V401W94-L399 HydrophobicContact CZ3-CD1 4.3Å; F268-L399 HydrophobicContact CB-CD2 3.88Å; F268-L399 HydrophobicContact CD2-CB 3.86Å; F268-L399 HydrophobicContact CD2-CD2 3.76Å; F268-L399 HydrophobicContact CD2-CG 4.47Å; F268-L399 HydrophobicContact CE2-CB 4.16Å; F268-L399 HydrophobicContact CG-CD2 4.25Å; F271-L399 HydrophobicContact CB-CD2 4.48Å; F271-L399 HydrophobicContact CD1-CB 3.9Å; F271-L399 HydrophobicContact CD1-CD1 4.35Å; F271-L399 HydrophobicContact CD1-CD2 4.47Å; F271-L399 HydrophobicContact CD1-CG 4.47Å; F271-L399 HydrophobicContact CE1-CB 3.97Å; F271-L399 HydrophobicContact CG-CD1 4.3Å; A281-L399 PolarHBondContact O-N 3.34Å; K282-L399 WeakPolarHBondContact CA-O 3.49Å; V283-L399 PolarHBondContact N-O 2.85Å; L399-V401 HydrophobicContact CD2-CG1 4.37Å; L399-V401 HydrophobicContact CG-CG1 4.18Å
400E98.5Very high97Very high9 Ų929.9 Ų29.94%0.04214%0.136CC..EExtended strand (participates in β ladder)trans-80.8127.2172.7-176.3-155.3-120.500110.6G81 S82 V83 R85 V283G81-E400 PolarHBondContact O-N 3.08Å; S82-E400 WeakPolarHBondContact CA-O 3.43Å; S82-E400 VanDerWaalsContact CB-OE2 3.23Å; S82-E400 WeakPolarHBondContact CB-OE2 3.48Å; S82-E400 PolarHBondContact OG-OE2 3.22Å; V83-E400 PolarHBondContact N-O 3.18Å; R85-E400 IonicContact CZ-OE1 3.42Å; R85-E400 IonicContact CZ-OE2 3.07Å; R85-E400 VanDerWaalsContact NH1-CD 3.3Å; R85-E400 IonicContact NH1-OE1 2.9Å; R85-E400 PolarHBondContact NH1-OE1 2.97Å; R85-E400 IonicContact NH1-OE2 2.87Å; R85-E400 PolarHBondContact NH1-OE2 3.47Å; R85-E400 IonicContact NH2-OE1 2.99Å; R85-E400 PolarHBondContact NH2-OE1 2.94Å; R85-E400 IonicContact NH2-OE2 2.9Å; R85-E400 PolarHBondContact NH2-OE2 2.76Å; V283-E400 HydrophobicContact CG2-CB 4.03Å; V283-E400 HydrophobicContact CG2-CG 4.46Å; V283-E400 CarbonylContact O-C 3.55Å; V283-E400 WeakPolarHBondContact O-CA 3.33Å
401V98.3Very high96.7Very high5 Ų533.3 Ų33.33%0.0315%0.151CC..EExtended strand (participates in β ladder)trans-120.9170.8-180-57.80000112V83 K282 V283 V284 I332 L399 E406V83-V401 HydrophobicContact CG2-CB 4.29Å; V83-V401 HydrophobicContact CG2-CG1 3.83Å; K282-V401 HydrophobicContact CD-CB 4.46Å; K282-V401 HydrophobicContact CD-CG1 3.72Å; K282-V401 HydrophobicContact CD-CG2 3.92Å; K282-V401 HydrophobicContact CG-CB 4.41Å; K282-V401 HydrophobicContact CG-CG1 3.67Å; K282-V401 HydrophobicContact CG-CG2 3.81Å; V283-V401 WeakPolarHBondContact O-CG2 3.46Å; V283-V401 PolarHBondContact O-N 3.06Å; V284-V401 HydrophobicContact CG1-CG2 3.9Å; I332-V401 HydrophobicContact CD1-CG2 4.33Å; L399-V401 HydrophobicContact CD2-CG1 4.37Å; L399-V401 HydrophobicContact CG-CG1 4.18Å; V401-E406 HydrophobicContact CB-CB 4.37Å; V401-E406 HydrophobicContact CB-CG 4.39Å; V401-E406 WeakPolarHBondContact CB-OE1 3.28Å; V401-E406 VanDerWaalsContact CG1-OE1 3.3Å; V401-E406 WeakPolarHBondContact CG1-OE1 3.38Å; V401-E406 HydrophobicContact CG2-CB 3.73Å; V401-E406 HydrophobicContact CG2-CG 4.26Å
402R96.2Very high96.5Very high106 Ų10632.1 Ų32.140%0.414%0.142SC..  trans-79.2123.8176.5-60.5-174.4177.9-1771.4109.7R84 E404 D405 E406R84-R402 HydrophobicContact CG-CG 4Å; R402-E404 VanDerWaalsContact C-N 3.33Å; R402-E404 HydrophobicContact CB-CG 4.33Å; R402-E404 PolarHBondContact O-N 3.07Å; R402-D405 HydrophobicContact CB-CB 4.15Å; R402-D405 WeakPolarHBondContact CB-OD2 3.41Å; R402-D405 WeakPolarHBondContact CD-OD2 3.47Å; R402-D405 PolarHBondContact O-N 3.11Å; R402-D405 VanDerWaalsContact O-N 3.16Å; R402-E406 PolarHBondContact O-N 3.36Å
403R95.4Very high96.3Very high54 Ų5432 Ų3220%0.20415%0.149CC..Hα-helixtrans-58.2-48.2179175.5-177.9-63.3-102.81.5111.4V284 E285 E291 D405 E406 F407V284-R403 HydrophobicContact CB-CB 4.2Å; V284-R403 HydrophobicContact CG1-CB 4.1Å; E285-R403 PolarHBondContact O-NH2 3.47Å; E291-R403 VanDerWaalsContact CD-NH2 3.26Å; E291-R403 IonicContact OE1-CZ 3.93Å; E291-R403 IonicContact OE1-NH1 3.79Å; E291-R403 PolarHBondContact OE1-NH1 3.44Å; E291-R403 IonicContact OE1-NH2 2.93Å; E291-R403 PolarHBondContact OE1-NH2 3.3Å; E291-R403 IonicContact OE2-CZ 3.76Å; E291-R403 IonicContact OE2-NH2 2.68Å; E291-R403 PolarHBondContact OE2-NH2 3.34Å; R403-D405 PolarHBondContact O-N 3.43Å; R403-E406 PolarHBondContact O-N 3.02Å; R403-F407 HydrophobicContact CG-CB 4.36Å; R403-F407 HydrophobicContact CG-CD1 4.42Å; R403-F407 WeakPolarHBondContact CG-O 3.34Å; R403-F407 CarbonylContact O-C 3.53Å; R403-F407 PolarHBondContact O-N 3.47Å
404E93.4Very high96Very high36 Ų3635.1 Ų35.117%0.16816%0.164CC..Hα-helixtrans-58.7-20.3-178.660.8-90-141.500113.1R84 R402 R434 S456R84-E404 IonicContact NH2-OE1 2.66Å; R84-E404 PolarHBondContact NH2-OE1 3.34Å; R84-E404 IonicContact NH2-OE2 3.48Å; R84-E404 PolarHBondContact NH2-OE2 2.73Å; R84-E404 VanDerWaalsContact NH2-OE2 3.13Å; R402-E404 VanDerWaalsContact C-N 3.33Å; R402-E404 HydrophobicContact CB-CG 4.33Å; R402-E404 PolarHBondContact O-N 3.07Å; E404-R434 VanDerWaalsContact C-NH2 3.34Å; E404-R434 PolarHBondContact O-NH2 2.85Å; E404-S456 WeakPolarHBondContact OE1-CB 3.39Å; E404-S456 PolarHBondContact OE1-OG 3.31Å
405D95.5Very high95.6Very high20 Ų2030.4 Ų30.411%0.10717%0.173CC..Hα-helixtrans-104.1-28.7179.1-60.5-40.5000113.6R402 R403 Q431 R434 F476R402-D405 HydrophobicContact CB-CB 4.15Å; R402-D405 WeakPolarHBondContact CB-OD2 3.41Å; R402-D405 WeakPolarHBondContact CD-OD2 3.47Å; R402-D405 PolarHBondContact O-N 3.11Å; R402-D405 VanDerWaalsContact O-N 3.16Å; R403-D405 PolarHBondContact O-N 3.43Å; D405-Q431 PolarHBondContact O-NE2 3.25Å; D405-R434 IonicContact OD1-CZ 2.64Å; D405-R434 IonicContact OD1-NE 3.07Å; D405-R434 IonicContact OD1-NH2 2.78Å; D405-R434 PolarHBondContact OD1-NH2 2.75Å; D405-F476 HydrophobicContact CB-CE1 4.12Å; D405-F476 HydrophobicContact CB-CZ 3.87Å; D405-F476 VanDerWaalsContact O-CZ 3.23Å; D405-F476 WeakPolarHBondContact O-CZ 3.3Å
406E98Very high95.2Very high8 Ų830.2 Ų30.24%0.03717%0.174CC..Hα-helixtrans-128.7-2.8-168.1-68-162.9-122.900115.2N258 K282 V401 R402 R403 F476N258-E406 PolarHBondContact ND2-O 3Å; K282-E406 WeakPolarHBondContact CD-OE2 3.44Å; K282-E406 WeakPolarHBondContact CE-OE2 3.14Å; K282-E406 IonicContact NZ-OE2 2.59Å; K282-E406 PolarHBondContact NZ-OE2 3.38Å; V401-E406 HydrophobicContact CB-CB 4.37Å; V401-E406 HydrophobicContact CB-CG 4.39Å; V401-E406 WeakPolarHBondContact CB-OE1 3.28Å; V401-E406 VanDerWaalsContact CG1-OE1 3.3Å; V401-E406 WeakPolarHBondContact CG1-OE1 3.38Å; V401-E406 HydrophobicContact CG2-CB 3.73Å; V401-E406 HydrophobicContact CG2-CG 4.26Å; R402-E406 PolarHBondContact O-N 3.36Å; R403-E406 PolarHBondContact O-N 3.02Å; E406-F476 HydrophobicContact CG-CE1 4.32Å; E406-F476 HydrophobicContact CG-CE2 4.29Å; E406-F476 HydrophobicContact CG-CZ 3.53Å
407F97.5Very high94.7Very high22 Ų2235.5 Ų35.510%0.09621%0.21CC..  trans-146.7106.4-178.1-172-118.4000114.3V284 I332 R403 P409V284-F407 HydrophobicContact CG1-CB 3.88Å; V284-F407 HydrophobicContact CG2-CD1 4.04Å; I332-F407 HydrophobicContact CB-CD2 3.51Å; I332-F407 HydrophobicContact CB-CE2 3.69Å; I332-F407 HydrophobicContact CB-CG 4.02Å; I332-F407 HydrophobicContact CB-CZ 4.32Å; I332-F407 HydrophobicContact CD1-CB 4.44Å; I332-F407 HydrophobicContact CG2-CB 4.02Å; I332-F407 HydrophobicContact CG2-CD1 3.7Å; I332-F407 HydrophobicContact CG2-CD2 3.47Å; I332-F407 VanDerWaalsContact CG2-CD2 3.47Å; I332-F407 HydrophobicContact CG2-CE1 3.93Å; I332-F407 HydrophobicContact CG2-CE2 3.72Å; I332-F407 HydrophobicContact CG2-CG 3.45Å; I332-F407 VanDerWaalsContact CG2-CG 3.45Å; I332-F407 HydrophobicContact CG2-CZ 3.93Å; R403-F407 HydrophobicContact CG-CB 4.36Å; R403-F407 HydrophobicContact CG-CD1 4.42Å; R403-F407 WeakPolarHBondContact CG-O 3.34Å; R403-F407 CarbonylContact O-C 3.53Å; R403-F407 PolarHBondContact O-N 3.47Å; F407-P409 HydrophobicContact CE1-CG 4.01Å; F407-P409 HydrophobicContact CE2-CB 4.03Å; F407-P409 HydrophobicContact CE2-CG 4Å; F407-P409 HydrophobicContact CZ-CB 4.09Å; F407-P409 HydrophobicContact CZ-CG 3.6Å
408S96.3Very high94.2Very high1 Ų137.4 Ų37.41%0.00722%0.224CC..  trans-142.896.5164.2-170.30000108.8N258 I259 A427N258-S408 PolarHBondContact OD1-N 2.69Å; N258-S408 PolarHBondContact OD1-O 3.36Å; I259-S408 PolarHBondContact N-O 3.34Å; S408-A427 VanDerWaalsContact OG-CB 3.31Å; S408-A427 WeakPolarHBondContact OG-CB 3.36Å
409P95.1Very high93.9Very high5 Ų539 Ų393%0.03223%0.233CC..BIsolated β-bridgetrans-82149.9-173.934.1-35.8000112.2D257 F407 K411 D419D257-P409 CarbonylContact O-C 3.56Å; D257-P409 WeakPolarHBondContact O-CA 3.43Å; F407-P409 HydrophobicContact CE1-CG 4.01Å; F407-P409 HydrophobicContact CE2-CB 4.03Å; F407-P409 HydrophobicContact CE2-CG 4Å; F407-P409 HydrophobicContact CZ-CB 4.09Å; F407-P409 HydrophobicContact CZ-CG 3.6Å; P409-K411 HydrophobicContact CB-CG 4.2Å; P409-D419 HydrophobicContact CG-CB 4.28Å; P409-D419 WeakPolarHBondContact CG-OD1 3.37Å; P409-D419 CarbonylContact O-C 3.37Å; P409-D419 VanDerWaalsContact O-CA 3.24Å; P409-D419 WeakPolarHBondContact O-CA 3.17Å; P409-D419 WeakPolarHBondContact O-CB 3.45Å
410L94.4Very high93.7Very high0 Ų039.2 Ų39.20%023%0.234CC..  trans-103.397.9172.3175.262000109.4L120 K126 F129 V131 L139 D257 T420 P421L120-L410 HydrophobicContact CD1-CD1 4.33Å; L120-L410 HydrophobicContact CD1-CD2 3.7Å; L120-L410 HydrophobicContact CD1-CG 3.8Å; L120-L410 HydrophobicContact CD2-CD1 3.89Å; L120-L410 HydrophobicContact CD2-CG 4Å; K126-L410 WeakPolarHBondContact CE-O 3.27Å; K126-L410 HydrophobicContact CG-CD2 4.46Å; K126-L410 PolarHBondContact NZ-O 3.44Å; F129-L410 HydrophobicContact CB-CD2 4.1Å; F129-L410 HydrophobicContact CD1-CD2 3.66Å; F129-L410 HydrophobicContact CE1-CD2 4.24Å; F129-L410 HydrophobicContact CG-CD2 3.85Å; V131-L410 HydrophobicContact CG1-CD2 3.99Å; L139-L410 HydrophobicContact CD1-CD2 4.12Å; D257-L410 HydrophobicContact CB-CB 4.46Å; D257-L410 WeakPolarHBondContact CB-O 3.28Å; D257-L410 PolarHBondContact O-N 2.99Å; L410-T420 VanDerWaalsContact CD1-C 3.48Å; L410-P421 HydrophobicContact CD1-CB 4.36Å; L410-P421 HydrophobicContact CD1-CG 3.8Å; L410-P421 VanDerWaalsContact CD1-N 3.29Å
411K91.3Very high93.6Very high72 Ų7239.3 Ų39.331%0.31324%0.235SC..  trans-115.5-32-177.5-57.3-66.5-1751800113.5R119 D257 P409 D419R119-K411 WeakPolarHBondContact CD-O 3.28Å; R119-K411 VanDerWaalsContact CG-O 3.3Å; R119-K411 WeakPolarHBondContact CG-O 3.32Å; R119-K411 PolarHBondContact NE-O 3.1Å; D257-K411 IonicContact OD1-NZ 3.7Å; D257-K411 PolarHBondContact OD1-NZ 2.98Å; D257-K411 VanDerWaalsContact OD2-CD 3.25Å; D257-K411 WeakPolarHBondContact OD2-CD 3.47Å; D257-K411 WeakPolarHBondContact OD2-CE 3.48Å; D257-K411 IonicContact OD2-NZ 2.78Å; D257-K411 PolarHBondContact OD2-NZ 2.98Å; P409-K411 HydrophobicContact CB-CG 4.2Å; K411-D419 HydrophobicContact CB-CB 3.85Å; K411-D419 HydrophobicContact CG-CB 4Å; K411-D419 PolarHBondContact N-O 3.47Å
412N92.9Very high93.4Very high22 Ų2241.1 Ų41.112%0.11825%0.246CC..SBendtrans-118.8153.8-170.1-59.8-57.3000111.8R119 L120 A416 S418 D419 T420 P421R119-N412 PolarHBondContact NE-OD1 3.38Å; R119-N412 PolarHBondContact NH2-OD1 3.45Å; L120-N412 VanDerWaalsContact CD2-C 3.4Å; L120-N412 WeakPolarHBondContact CD2-O 3.47Å; N412-A416 HydrophobicContact CB-CB 3.5Å; N412-S418 PolarHBondContact ND2-O 2.9Å; N412-D419 PolarHBondContact N-O 2.87Å; N412-T420 HydrophobicContact CB-CG2 4.31Å; N412-T420 WeakPolarHBondContact O-CA 3.34Å; N412-P421 VanDerWaalsContact O-CD 3.32Å; N412-P421 WeakPolarHBondContact O-CD 3.18Å
413A92.8Very high93.2Very high41 Ų4136.6 Ų36.634%0.33923%0.23SC..  trans-69.2157.9165.900000110.9A416A413-A416 WeakPolarHBondContact O-CB 3.27Å; A413-A416 PolarHBondContact O-N 2.89Å
414D91.3Very high93.2Very high85 Ų8534 Ų3446%0.45522%0.221SC..THydrogen-bonded Turntrans-57.6142.9172.7-82.1-33.3000111.3T420 T422D414-T420 VanDerWaalsContact OD1-CB 3.22Å; D414-T420 WeakPolarHBondContact OD1-CB 3.33Å; D414-T420 PolarHBondContact OD1-OG1 3.37Å; D414-T422 VanDerWaalsContact CG-OG1 3.32Å; D414-T422 WeakPolarHBondContact OD1-CB 3.35Å; D414-T422 PolarHBondContact OD1-N 3.12Å; D414-T422 VanDerWaalsContact OD1-N 3.1Å; D414-T422 PolarHBondContact OD1-OG1 2.66Å; D414-T422 PolarHBondContact OD2-OG1 3.41Å
415G88.6Confident93.3Very high84 Ų8435.1 Ų35.187%0.86622%0.223SC*.THydrogen-bonded Turntrans103.6-17.8-169.600000113.8
416A90Very high93.1Very high36 Ų3635.1 Ų35.130%0.29822%0.223SC..SBendtrans-75.7160165.700000111.6N412 A413 S418 T420N412-A416 HydrophobicContact CB-CB 3.5Å; A413-A416 WeakPolarHBondContact O-CB 3.27Å; A413-A416 PolarHBondContact O-N 2.89Å; A416-S418 PolarHBondContact O-N 3.39Å; A416-T420 HydrophobicContact CB-CG2 3.95Å; A416-T420 WeakPolarHBondContact O-CG2 3.45Å
417P86.6Confident92.9Very high133 Ų13335.1 Ų35.186%0.86423%0.225SC*.SBendtrans-72.1-23.5-176.227.2-35.7000115.1
418S89.3Confident92.8Very high46 Ų4634.2 Ų34.232%0.32222%0.221SC..SBendtrans-158.6168.9-176.256.30000112.1N412 A416 T420N412-S418 PolarHBondContact ND2-O 2.9Å; A416-S418 PolarHBondContact O-N 3.39Å; S418-T420 VanDerWaalsContact C-N 3.33Å; S418-T420 WeakPolarHBondContact O-CG2 3.44Å; S418-T420 PolarHBondContact O-N 3.12Å
419D91.6Very high92.7Very high35 Ų3534.4 Ų34.419%0.18722%0.222CC..SBendtrans56.442.4178.7-49.2-33.1000113.1P409 K411 N412 T423P409-D419 HydrophobicContact CG-CB 4.28Å; P409-D419 WeakPolarHBondContact CG-OD1 3.37Å; P409-D419 CarbonylContact O-C 3.37Å; P409-D419 VanDerWaalsContact O-CA 3.24Å; P409-D419 WeakPolarHBondContact O-CA 3.17Å; P409-D419 WeakPolarHBondContact O-CB 3.45Å; K411-D419 HydrophobicContact CB-CB 3.85Å; K411-D419 HydrophobicContact CG-CB 4Å; K411-D419 PolarHBondContact N-O 3.47Å; N412-D419 PolarHBondContact N-O 2.87Å; D419-T423 WeakPolarHBondContact CA-OG1 3.27Å; D419-T423 PolarHBondContact N-OG1 2.87Å
420T94.9Very high92.5Very high4 Ų434.2 Ų34.23%0.02522%0.221CC..SBendtrans-105170-177.381.20000111.6L410 N412 D414 A416 S418 T422 T423 A424L410-T420 VanDerWaalsContact CD1-C 3.48Å; N412-T420 HydrophobicContact CB-CG2 4.31Å; N412-T420 WeakPolarHBondContact O-CA 3.34Å; D414-T420 VanDerWaalsContact OD1-CB 3.22Å; D414-T420 WeakPolarHBondContact OD1-CB 3.33Å; D414-T420 PolarHBondContact OD1-OG1 3.37Å; A416-T420 HydrophobicContact CB-CG2 3.95Å; A416-T420 WeakPolarHBondContact O-CG2 3.45Å; S418-T420 VanDerWaalsContact C-N 3.33Å; S418-T420 WeakPolarHBondContact O-CG2 3.44Å; S418-T420 PolarHBondContact O-N 3.12Å; T420-T422 PolarHBondContact O-N 3.45Å; T420-T422 PolarHBondContact OG1-N 3.09Å; T420-T423 PolarHBondContact N-OG1 3.48Å; T420-T423 PolarHBondContact O-N 2.9Å; T420-T423 PolarHBondContact O-OG1 2.88Å; T420-T423 PolarHBondContact OG1-N 3.4Å; T420-A424 WeakPolarHBondContact O-CB 3.16Å; T420-A424 PolarHBondContact O-N 3.03Å
421P95.6Very high92.5Very high10 Ų1034.2 Ų34.27%0.06522%0.221CC..Hα-helixtrans-51.9-41.1169.3-27.434.9000112.2F129 V131 L410 N412 R425F129-P421 HydrophobicContact CE1-CB 3.97Å; F129-P421 HydrophobicContact CE1-CG 3.58Å; F129-P421 HydrophobicContact CZ-CG 3.76Å; V131-P421 HydrophobicContact CB-CB 4.3Å; V131-P421 HydrophobicContact CG1-CB 4.44Å; L410-P421 HydrophobicContact CD1-CB 4.36Å; L410-P421 HydrophobicContact CD1-CG 3.8Å; L410-P421 VanDerWaalsContact CD1-N 3.29Å; N412-P421 VanDerWaalsContact O-CD 3.32Å; N412-P421 WeakPolarHBondContact O-CD 3.18Å; P421-R425 VanDerWaalsContact O-CB 3.25Å; P421-R425 WeakPolarHBondContact O-CB 3.28Å; P421-R425 PolarHBondContact O-N 2.91Å
422T93.9Very high92.7Very high43 Ų4331 Ų3126%0.26421%0.207SC..Hα-helixtrans-64.2-47178.3-66.90000113D414 T420 R425 N426D414-T422 VanDerWaalsContact CG-OG1 3.32Å; D414-T422 WeakPolarHBondContact OD1-CB 3.35Å; D414-T422 PolarHBondContact OD1-N 3.12Å; D414-T422 VanDerWaalsContact OD1-N 3.1Å; D414-T422 PolarHBondContact OD1-OG1 2.66Å; D414-T422 PolarHBondContact OD2-OG1 3.41Å; T420-T422 PolarHBondContact O-N 3.45Å; T420-T422 PolarHBondContact OG1-N 3.09Å; T422-R425 PolarHBondContact OG1-NH2 2.99Å; T422-R425 VanDerWaalsContact OG1-NH2 3.13Å; T422-N426 WeakPolarHBondContact O-CB 3.41Å; T422-N426 PolarHBondContact O-N 3.16Å; T422-N426 PolarHBondContact O-ND2 3.3Å; T422-N426 PolarHBondContact O-OD1 3.26Å
423T93Very high92.6Very high12 Ų1230 Ų307%0.07420%0.201CC..Hα-helixtrans-66.6-41.3179.562.20000111.5D419 T420 N426 A427 E460D419-T423 WeakPolarHBondContact CA-OG1 3.27Å; D419-T423 PolarHBondContact N-OG1 2.87Å; T420-T423 PolarHBondContact N-OG1 3.48Å; T420-T423 PolarHBondContact O-N 2.9Å; T420-T423 PolarHBondContact O-OG1 2.88Å; T420-T423 PolarHBondContact OG1-N 3.4Å; T423-N426 PolarHBondContact O-N 3.48Å; T423-A427 WeakPolarHBondContact O-CB 3.36Å; T423-A427 PolarHBondContact O-N 3.04Å; T423-E460 HydrophobicContact CG2-CB 4.49Å
424A95Very high92.6Very high0 Ų029.9 Ų29.90%019%0.192CC..Hα-helixtrans-61.2-48.9177.100000112.2V131 I259 T420 N426 A427 L428V131-A424 HydrophobicContact CG1-CB 4.36Å; I259-A424 HydrophobicContact CB-CB 4.47Å; I259-A424 HydrophobicContact CG2-CB 4.01Å; I259-A424 WeakPolarHBondContact CG2-O 3.32Å; T420-A424 WeakPolarHBondContact O-CB 3.16Å; T420-A424 PolarHBondContact O-N 3.03Å; A424-N426 PolarHBondContact O-N 3.31Å; A424-A427 PolarHBondContact O-N 2.79Å; A424-L428 PolarHBondContact O-N 2.91Å
425R95.1Very high92.8Very high58 Ų5826.7 Ų26.722%0.21917%0.174CC..Hα-helixtrans-57.1-51.1175.5178-177.161-1200.4111.2V131 G132 L133 P421 T422 A427 L428 L429V131-R425 HydrophobicContact CB-CB 4.3Å; V131-R425 HydrophobicContact CG2-CB 3.93Å; V131-R425 WeakPolarHBondContact O-CD 3.44Å; V131-R425 PolarHBondContact O-NH1 3.1Å; G132-R425 WeakPolarHBondContact O-CD 3.41Å; L133-R425 HydrophobicContact CD2-CG 4.03Å; P421-R425 VanDerWaalsContact O-CB 3.25Å; P421-R425 WeakPolarHBondContact O-CB 3.28Å; P421-R425 PolarHBondContact O-N 2.91Å; T422-R425 PolarHBondContact OG1-NH2 2.99Å; T422-R425 VanDerWaalsContact OG1-NH2 3.13Å; R425-A427 VanDerWaalsContact C-N 3.31Å; R425-A427 PolarHBondContact O-N 3.32Å; R425-L428 PolarHBondContact O-N 3.02Å; R425-L429 HydrophobicContact CG-CD1 3.8Å; R425-L429 HydrophobicContact CG-CG 4.43Å; R425-L429 VanDerWaalsContact O-CG 3.32Å; R425-L429 WeakPolarHBondContact O-CG 3.38Å; R425-L429 PolarHBondContact O-N 3.26Å
426N92.7Very high93Very high21 Ų2122.7 Ų22.711%0.11213%0.133CC..Hα-helixtrans-63.7-38.1-176.7-67.6-5.5000111.6T422 T423 A424 L429 A430 E460T422-N426 WeakPolarHBondContact O-CB 3.41Å; T422-N426 PolarHBondContact O-N 3.16Å; T422-N426 PolarHBondContact O-ND2 3.3Å; T422-N426 PolarHBondContact O-OD1 3.26Å; T423-N426 PolarHBondContact O-N 3.48Å; A424-N426 PolarHBondContact O-N 3.31Å; N426-L429 PolarHBondContact O-N 3.4Å; N426-A430 WeakPolarHBondContact O-CB 3.49Å; N426-A430 PolarHBondContact O-N 2.8Å; N426-E460 PolarHBondContact ND2-O 3.24Å
427A93.1Very high93.1Very high8 Ų822.7 Ų22.77%0.06613%0.132CC..Hα-helixtrans-62.3-45.5177.200000112.4L260 S408 T423 A424 R425 A430 Q431L260-A427 HydrophobicContact CD1-CB 4.23Å; S408-A427 VanDerWaalsContact OG-CB 3.31Å; S408-A427 WeakPolarHBondContact OG-CB 3.36Å; T423-A427 WeakPolarHBondContact O-CB 3.36Å; T423-A427 PolarHBondContact O-N 3.04Å; A424-A427 PolarHBondContact O-N 2.79Å; R425-A427 VanDerWaalsContact C-N 3.31Å; R425-A427 PolarHBondContact O-N 3.32Å; A427-A430 PolarHBondContact O-N 2.93Å; A427-Q431 PolarHBondContact O-N 2.48Å
428L95.5Very high93.4Very high3 Ų322.9 Ų22.92%0.01613%0.126CC..Hα-helixtrans-64.9-46.3177.3-173.272000111.9L133 I142 I259 L260 A424 R425 A430 Q431 H432L133-L428 HydrophobicContact CD1-CD2 3.66Å; L133-L428 HydrophobicContact CD2-CD2 3.79Å; L133-L428 HydrophobicContact CG-CD2 4.39Å; I142-L428 HydrophobicContact CD1-CD2 4.3Å; I259-L428 HydrophobicContact CD1-CB 4.2Å; I259-L428 HydrophobicContact CD1-CD2 3.96Å; I259-L428 HydrophobicContact CG1-CB 4.46Å; I259-L428 HydrophobicContact CG1-CD2 4.1Å; I259-L428 HydrophobicContact CG2-CB 4.48Å; L260-L428 HydrophobicContact CD2-CB 4.03Å; L260-L428 HydrophobicContact CD2-CD1 3.63Å; L260-L428 HydrophobicContact CD2-CG 4.46Å; A424-L428 PolarHBondContact O-N 2.91Å; R425-L428 PolarHBondContact O-N 3.02Å; L428-A430 VanDerWaalsContact C-N 3.32Å; L428-A430 PolarHBondContact O-N 3.17Å; L428-Q431 WeakPolarHBondContact O-CB 3.44Å; L428-Q431 PolarHBondContact O-N 2.77Å; L428-H432 PolarHBondContact O-N 3.25Å
429L93.9Very high93.7Very high5 Ų521.8 Ų21.83%0.02612%0.119CC..Hα-helixtrans-65.2-37.7179.3-62174.1000111.8L133 P134 R425 N426 Q431 H432 C433 L465 C467 E468L133-L429 HydrophobicContact CD2-CD2 3.97Å; L133-L429 HydrophobicContact CD2-CG 4.14Å; P134-L429 HydrophobicContact CG-CD2 4.2Å; R425-L429 HydrophobicContact CG-CD1 3.8Å; R425-L429 HydrophobicContact CG-CG 4.43Å; R425-L429 VanDerWaalsContact O-CG 3.32Å; R425-L429 WeakPolarHBondContact O-CG 3.38Å; R425-L429 PolarHBondContact O-N 3.26Å; N426-L429 PolarHBondContact O-N 3.4Å; L429-Q431 VanDerWaalsContact C-N 3.34Å; L429-H432 PolarHBondContact O-N 2.85Å; L429-C433 PolarHBondContact O-N 2.83Å; L429-C433 PolarHBondContact O-SG 2.97Å; L429-L465 VanDerWaalsContact CB-O 3.25Å; L429-L465 WeakPolarHBondContact CB-O 3.42Å; L429-L465 WeakPolarHBondContact CD1-O 3.36Å; L429-C467 WeakPolarHBondContact CD2-O 3.48Å; L429-E468 HydrophobicContact CD2-CB 3.9Å; L429-E468 HydrophobicContact CD2-CG 4.36Å
430A91.5Very high93.8Very high1 Ų122 Ų221%0.00813%0.13CC..Hα-helixtrans-65.5-37.8174.800000112.3N426 A427 L428 C433 R434 A459 L465N426-A430 WeakPolarHBondContact O-CB 3.49Å; N426-A430 PolarHBondContact O-N 2.8Å; A427-A430 PolarHBondContact O-N 2.93Å; L428-A430 VanDerWaalsContact C-N 3.32Å; L428-A430 PolarHBondContact O-N 3.17Å; A430-C433 PolarHBondContact O-N 3.37Å; A430-R434 WeakPolarHBondContact O-CG 3.42Å; A430-R434 PolarHBondContact O-N 2.98Å; A430-R434 PolarHBondContact O-NH1 3.4Å; A430-A459 HydrophobicContact CB-CB 3.75Å; A430-L465 HydrophobicContact CB-CD1 3.88Å
431Q93.6Very high93.8Very high0 Ų022.3 Ų22.30%013%0.133CC..Hα-helixtrans-59.6-49.8172.2171.4176.669.100111.4D405 A427 L428 L429 C433 R434 W435D405-Q431 PolarHBondContact O-NE2 3.25Å; A427-Q431 PolarHBondContact O-N 2.48Å; L428-Q431 WeakPolarHBondContact O-CB 3.44Å; L428-Q431 PolarHBondContact O-N 2.77Å; L429-Q431 VanDerWaalsContact C-N 3.34Å; Q431-C433 VanDerWaalsContact C-N 3.31Å; Q431-C433 PolarHBondContact O-N 2.9Å; Q431-R434 WeakPolarHBondContact O-CA 3.49Å; Q431-R434 WeakPolarHBondContact O-CB 3.33Å; Q431-R434 PolarHBondContact O-N 3.49Å; Q431-W435 HydrophobicContact CG-CD2 4.07Å; Q431-W435 VanDerWaalsContact CG-CE2 3.43Å; Q431-W435 HydrophobicContact CG-CH2 4.15Å; Q431-W435 HydrophobicContact CG-CZ2 3.48Å; Q431-W435 VanDerWaalsContact CG-CZ2 3.48Å; Q431-W435 PolarHBondContact O-N 3.35Å
432H95.2Very high93.6Very high5 Ų524.2 Ų24.22%0.02315%0.149CC..Hα-helixtrans-64.4-35.6179.8-65.7167000112.8L428 L429 W435 A436 C467 I469L428-H432 PolarHBondContact O-N 3.25Å; L429-H432 PolarHBondContact O-N 2.85Å; H432-W435 AromaticContact CD2-CE3 3.56Å; H432-W435 AromaticContact CD2-CZ3 3.42Å; H432-W435 VanDerWaalsContact CD2-CZ3 3.42Å; H432-W435 WeakPolarHBondContact CD2-CZ3 3.36Å; H432-W435 AromaticContact NE2-CZ3 3.7Å; H432-W435 PolarHBondContact O-N 3.44Å; H432-A436 PolarHBondContact O-N 2.72Å; H432-C467 VanDerWaalsContact CB-O 3.29Å; H432-C467 WeakPolarHBondContact CB-O 3.39Å; H432-I469 HydrophobicContact CB-CB 4.35Å; H432-I469 HydrophobicContact CB-CD1 4.05Å; H432-I469 HydrophobicContact CB-CG1 4.03Å; H432-I469 PolarHBondContact CE1-N 3.12Å; H432-I469 PolarHBondContact CE1-O 3.3Å; H432-I469 PolarHBondContact ND1-N 3.11Å; H432-I469 PolarHBondContact NE2-O 3.23Å
433C91.9Very high93.4Very high0 Ų022.6 Ų22.60%014%0.139CC..Hα-helixtrans-61.2-42.6169.7-77.30000112.1L429 A430 Q431 A436 A437 L443 M453 L465 C467L429-C433 PolarHBondContact O-N 2.83Å; L429-C433 PolarHBondContact O-SG 2.97Å; A430-C433 PolarHBondContact O-N 3.37Å; Q431-C433 VanDerWaalsContact C-N 3.31Å; Q431-C433 PolarHBondContact O-N 2.9Å; C433-A436 PolarHBondContact O-N 3.41Å; C433-A437 WeakPolarHBondContact O-CB 3.16Å; C433-A437 PolarHBondContact O-N 3.12Å; C433-L443 HydrophobicContact CB-CD1 3.77Å; C433-M453 HydrophobicContact CB-CE 3.52Å; C433-M453 HydrophobicContact CB-SD 3.72Å; C433-L465 HydrophobicContact CB-CD2 4.38Å; C433-C467 WeakPolarHBondContact SG-CB 3.33Å
434R92.4Very high93.1Very high39 Ų3923.7 Ų23.715%0.14714%0.144CC..Hα-helixtrans-60.8-47.3175-71-170.2-57-83.64.8110.8E404 D405 A430 Q431 A436 A437 D438 M453E404-R434 VanDerWaalsContact C-NH2 3.34Å; E404-R434 PolarHBondContact O-NH2 2.85Å; D405-R434 IonicContact OD1-CZ 2.64Å; D405-R434 IonicContact OD1-NE 3.07Å; D405-R434 IonicContact OD1-NH2 2.78Å; D405-R434 PolarHBondContact OD1-NH2 2.75Å; A430-R434 WeakPolarHBondContact O-CG 3.42Å; A430-R434 PolarHBondContact O-N 2.98Å; A430-R434 PolarHBondContact O-NH1 3.4Å; Q431-R434 WeakPolarHBondContact O-CA 3.49Å; Q431-R434 WeakPolarHBondContact O-CB 3.33Å; Q431-R434 PolarHBondContact O-N 3.49Å; R434-A436 PolarHBondContact O-N 3.2Å; R434-A437 PolarHBondContact O-N 3.4Å; R434-D438 WeakPolarHBondContact O-CB 3.43Å; R434-D438 PolarHBondContact O-N 3.26Å; R434-M453 HydrophobicContact CB-CE 4.3Å; R434-M453 HydrophobicContact CG-CE 3.44Å; R434-M453 VanDerWaalsContact CG-CE 3.44Å
435W95.2Very high92.6Very high18 Ų1825 Ų257%0.06815%0.152CC..Hα-helixtrans-59.3-43.9178.5-63.8-12.2000113.1Q431 H432 D438 A439 I469 F476 G477 L480Q431-W435 HydrophobicContact CG-CD2 4.07Å; Q431-W435 VanDerWaalsContact CG-CE2 3.43Å; Q431-W435 HydrophobicContact CG-CH2 4.15Å; Q431-W435 HydrophobicContact CG-CZ2 3.48Å; Q431-W435 VanDerWaalsContact CG-CZ2 3.48Å; Q431-W435 PolarHBondContact O-N 3.35Å; H432-W435 AromaticContact CD2-CE3 3.56Å; H432-W435 AromaticContact CD2-CZ3 3.42Å; H432-W435 VanDerWaalsContact CD2-CZ3 3.42Å; H432-W435 WeakPolarHBondContact CD2-CZ3 3.36Å; H432-W435 AromaticContact NE2-CZ3 3.7Å; H432-W435 PolarHBondContact O-N 3.44Å; W435-D438 PolarHBondContact O-N 3.01Å; W435-A439 WeakPolarHBondContact O-CB 3.28Å; W435-A439 PolarHBondContact O-N 3.34Å; W435-I469 HydrophobicContact CB-CD1 4.25Å; W435-I469 HydrophobicContact CE3-CD1 4.29Å; W435-F476 VanDerWaalsContact CH2-CA 3.5Å; W435-F476 HydrophobicContact CH2-CD2 4.26Å; W435-F476 VanDerWaalsContact CZ2-C 3.47Å; W435-F476 HydrophobicContact CZ2-CB 4.42Å; W435-F476 HydrophobicContact CZ2-CD1 4.47Å; W435-F476 HydrophobicContact CZ2-CD2 4.01Å; W435-F476 HydrophobicContact CZ2-CE2 4.36Å; W435-F476 HydrophobicContact CZ2-CG 4.07Å; W435-G477 VanDerWaalsContact CD2-CA 3.46Å; W435-L480 HydrophobicContact CB-CD1 3.61Å
436A93.9Very high91.9Very high0 Ų026.8 Ų26.80%016%0.162CC..Hα-helixtrans-64.2-41.8176.400000112.2H432 C433 R434 A439 G440 A441 L443 L483 I488H432-A436 PolarHBondContact O-N 2.72Å; C433-A436 PolarHBondContact O-N 3.41Å; R434-A436 PolarHBondContact O-N 3.2Å; A436-A439 PolarHBondContact O-N 2.81Å; A436-G440 PolarHBondContact O-N 2.72Å; A436-A441 HydrophobicContact CB-CB 4.36Å; A436-A441 WeakPolarHBondContact O-CB 3.34Å; A436-A441 PolarHBondContact O-N 2.95Å; A436-L443 HydrophobicContact CB-CD2 4.4Å; A436-L483 HydrophobicContact CB-CD1 4.02Å; A436-I488 HydrophobicContact CB-CD1 4.18Å
437A91.7Very high91.4Very high35 Ų3533 Ų3329%0.28919%0.191SC..Hα-helixtrans-66.2-43.2177.100000111.9C433 R434 A439 G440 L443 M453C433-A437 WeakPolarHBondContact O-CB 3.16Å; C433-A437 PolarHBondContact O-N 3.12Å; R434-A437 PolarHBondContact O-N 3.4Å; A437-A439 PolarHBondContact O-N 2.88Å; A437-G440 WeakPolarHBondContact O-CA 3.49Å; A437-G440 PolarHBondContact O-N 2.96Å; A437-L443 HydrophobicContact CB-CD1 4.44Å; A437-M453 HydrophobicContact CB-CG 4.43Å
438D93.1Very high90.9Very high138 Ų13834.4 Ų34.474%0.73821%0.206SC*.Hα-helixtrans-63.3-31.7176.7-69.1-19.7000111.5R434 W435 G440R434-D438 WeakPolarHBondContact O-CB 3.43Å; R434-D438 PolarHBondContact O-N 3.26Å; W435-D438 PolarHBondContact O-N 3.01Å; D438-G440 PolarHBondContact O-N 3.11Å
439A95.3Very high90.3Very high22 Ų2238.3 Ų38.318%0.18223%0.227CC..THydrogen-bonded Turntrans-74.6-3.717100000114.2W435 A436 A437 L480 L483 K484W435-A439 WeakPolarHBondContact O-CB 3.28Å; W435-A439 PolarHBondContact O-N 3.34Å; A436-A439 PolarHBondContact O-N 2.81Å; A437-A439 PolarHBondContact O-N 2.88Å; A439-L480 HydrophobicContact CB-CB 3.72Å; A439-L480 WeakPolarHBondContact CB-O 3.42Å; A439-L483 HydrophobicContact CB-CB 4.42Å; A439-K484 WeakPolarHBondContact O-CA 3.33Å; A439-K484 WeakPolarHBondContact O-CB 3.47Å
440G94.2Very high89.8Confident39 Ų3942.8 Ų42.840%0.40226%0.258SS..THydrogen-bonded Turntrans91.820.817600000115.2A436 A437 D438 G485A436-G440 PolarHBondContact O-N 2.72Å; A437-G440 WeakPolarHBondContact O-CA 3.49Å; A437-G440 PolarHBondContact O-N 2.96Å; D438-G440 PolarHBondContact O-N 3.11Å; G440-G485 PolarHBondContact O-N 2.84Å
441A93.2Very high89.1Confident11 Ų1144.1 Ų44.19%0.09127%0.265CS..PPolyproline II helixtrans-82.6145.3172.200000112A436 L483 K486 I488A436-A441 HydrophobicContact CB-CB 4.36Å; A436-A441 WeakPolarHBondContact O-CB 3.34Å; A436-A441 PolarHBondContact O-N 2.95Å; A441-L483 HydrophobicContact CB-CB 4.11Å; A441-K486 CarbonylContact C-O 3.54Å; A441-K486 WeakPolarHBondContact CA-O 3.1Å; A441-I488 HydrophobicContact CB-CD1 3.67Å; A441-I488 HydrophobicContact CB-CG1 4.27Å
442A91.4Very high88Confident50 Ų5052.6 Ų52.641%0.41331%0.305SS..EExtended strand (participates in β ladder)trans-90.8127.4167.500000110K486 T487 I488A442-K486 PolarHBondContact N-O 2.98Å; A442-T487 CarbonylContact O-C 3.6Å; A442-T487 WeakPolarHBondContact O-CA 3.35Å; A442-I488 PolarHBondContact O-N 3.02Å
443L89.5Confident86.8Confident9 Ų955.2 Ų55.25%0.04732%0.318CS..EExtended strand (participates in β ladder)trans-99.4130.7-179.6-65.2171.9000111.1C433 A436 A437 I451 M453 I488C433-L443 HydrophobicContact CB-CD1 3.77Å; A436-L443 HydrophobicContact CB-CD2 4.4Å; A437-L443 HydrophobicContact CB-CD1 4.44Å; L443-I451 HydrophobicContact CB-CB 4.06Å; L443-I451 HydrophobicContact CB-CD1 4.39Å; L443-I451 PolarHBondContact O-N 2.93Å; L443-M453 HydrophobicContact CD1-SD 3.87Å; L443-I488 CarbonylContact C-O 3.42Å; L443-I488 WeakPolarHBondContact CA-O 3.48Å; L443-I488 HydrophobicContact CD2-CB 4.05Å; L443-I488 HydrophobicContact CD2-CD1 4.43Å; L443-I488 HydrophobicContact CD2-CG2 4.22Å
444L88.4Confident85.3Confident35 Ų3556.2 Ų56.218%0.18332%0.324CS..EExtended strand (participates in β ladder)trans-118146.4173.8-55-176.9000111.4N449 I451 T487 I488 T490L444-N449 CarbonylContact C-O 3.59Å; L444-N449 VanDerWaalsContact CA-O 3.25Å; L444-N449 WeakPolarHBondContact CA-O 3.46Å; L444-I451 VanDerWaalsContact C-CD1 3.48Å; L444-T487 HydrophobicContact CD1-CG2 3.4Å; L444-T487 HydrophobicContact CD2-CG2 4.38Å; L444-T487 HydrophobicContact CG-CG2 3.6Å; L444-I488 PolarHBondContact N-O 3.02Å; L444-T490 PolarHBondContact O-N 3.07Å; L444-T490 PolarHBondContact O-OG1 2.69Å
445D83.9Confident83.7Confident29 Ų2958.7 Ų58.716%0.15535%0.345CS..  trans-77.3178.6172.471.212000112.1Q447 G448 N449 I451 R489D445-Q447 PolarHBondContact O-N 3.37Å; D445-Q447 VanDerWaalsContact O-N 3.09Å; D445-Q447 VanDerWaalsContact OD1-C 3.25Å; D445-Q447 VanDerWaalsContact OD1-CA 3.26Å; D445-Q447 WeakPolarHBondContact OD1-CA 3.11Å; D445-Q447 WeakPolarHBondContact OD1-CB 3.17Å; D445-Q447 PolarHBondContact OD1-N 2.84Å; D445-G448 PolarHBondContact O-N 3.22Å; D445-G448 PolarHBondContact OD1-N 3.3Å; D445-N449 PolarHBondContact N-O 3.43Å; D445-N449 PolarHBondContact OD1-N 2.89Å; D445-N449 PolarHBondContact OD1-ND2 3.24Å; D445-N449 WeakPolarHBondContact OD2-CB 3.25Å; D445-N449 PolarHBondContact OD2-ND2 3.01Å; D445-I451 HydrophobicContact CB-CD1 4.08Å; D445-I451 HydrophobicContact CB-CG1 3.98Å; D445-R489 WeakPolarHBondContact O-CG 3.35Å
446E80.7Confident81.9Confident95 Ų9560.5 Ų60.544%0.44436%0.361SS..THydrogen-bonded Turntrans-59-20.8176.9-72.1179.5-171.300112.8K466 R489 T490E446-K466 IonicContact OE1-NZ 3.75Å; E446-K466 PolarHBondContact OE1-NZ 3.22Å; E446-R489 PolarHBondContact O-NE 3.17Å; E446-R489 PolarHBondContact O-NH2 3.34Å; E446-T490 VanDerWaalsContact CG-O 3.29Å; E446-T490 WeakPolarHBondContact CG-O 3.28Å
447Q81.6Confident79.8Confident152 Ų15265.9 Ų65.971%0.7140%0.398SS*.THydrogen-bonded Turntrans-97.6-3.1-179.1-64.6144.922.100112.6D445 N449D445-Q447 PolarHBondContact O-N 3.37Å; D445-Q447 VanDerWaalsContact O-N 3.09Å; D445-Q447 VanDerWaalsContact OD1-C 3.25Å; D445-Q447 VanDerWaalsContact OD1-CA 3.26Å; D445-Q447 WeakPolarHBondContact OD1-CA 3.11Å; D445-Q447 WeakPolarHBondContact OD1-CB 3.17Å; D445-Q447 PolarHBondContact OD1-N 2.84Å; Q447-N449 PolarHBondContact OE1-ND2 3.27Å
448G81.8Confident78Confident37 Ų3766.2 Ų66.238%0.38140%0.398SS..SBendtrans86.19.5-179.500000114.4D445D445-G448 PolarHBondContact O-N 3.22Å; D445-G448 PolarHBondContact OD1-N 3.3Å
449N83.9Confident76Confident85 Ų8560.1 Ų60.146%0.45537%0.367SS..PPolyproline II helixtrans-80.3144.5175.3-49.5-59.3000110.4L444 D445 Q447 I451L444-N449 CarbonylContact C-O 3.59Å; L444-N449 VanDerWaalsContact CA-O 3.25Å; L444-N449 WeakPolarHBondContact CA-O 3.46Å; D445-N449 PolarHBondContact N-O 3.43Å; D445-N449 PolarHBondContact OD1-N 2.89Å; D445-N449 PolarHBondContact OD1-ND2 3.24Å; D445-N449 WeakPolarHBondContact OD2-CB 3.25Å; D445-N449 PolarHBondContact OD2-ND2 3.01Å; Q447-N449 PolarHBondContact OE1-ND2 3.27Å; N449-I451 PolarHBondContact O-N 3.11Å
450S82.6Confident74Confident98 Ų9862.2 Ų62.269%0.68537%0.373SS*.BIsolated β-bridgetrans-64.2127.4174.1-620000111.3
451I76.8Confident72.1Confident30 Ų3066.9 Ų66.915%0.15439%0.389CS..PPolyproline II helixtrans-84.1118.7174.8-63.4176.7000107.9L443 L444 D445 N449 L465 T490L443-I451 HydrophobicContact CB-CB 4.06Å; L443-I451 HydrophobicContact CB-CD1 4.39Å; L443-I451 PolarHBondContact O-N 2.93Å; L444-I451 VanDerWaalsContact C-CD1 3.48Å; D445-I451 HydrophobicContact CB-CD1 4.08Å; D445-I451 HydrophobicContact CB-CG1 3.98Å; N449-I451 PolarHBondContact O-N 3.11Å; I451-L465 HydrophobicContact CD1-CD2 4.3Å; I451-L465 HydrophobicContact CG2-CD2 3.35Å; I451-T490 HydrophobicContact CD1-CG2 4.35Å
452Q72.3Confident70.3Confident178 Ų17870.7 Ų70.783%0.83241%0.405SS*.PPolyproline II helixtrans-85.2130.5163.3-67.4-160-23.400109.3P454Q452-P454 WeakPolarHBondContact O-CD 3.46Å
453M68.8Low68.6Low59 Ų5973.3 Ų73.329%0.29142%0.418SS..PPolyproline II helixtrans-65.9123.8178.3-69.6-54.8-66.200109.6C433 R434 A437 L443 L465C433-M453 HydrophobicContact CB-CE 3.52Å; C433-M453 HydrophobicContact CB-SD 3.72Å; R434-M453 HydrophobicContact CB-CE 4.3Å; R434-M453 HydrophobicContact CG-CE 3.44Å; R434-M453 VanDerWaalsContact CG-CE 3.44Å; A437-M453 HydrophobicContact CB-CG 4.43Å; L443-M453 HydrophobicContact CD1-SD 3.87Å; M453-L465 HydrophobicContact CE-CD1 4.24Å; M453-L465 HydrophobicContact SD-CD2 4.3Å
454P60.1Low67Low21 Ų2174.8 Ų74.814%0.13643%0.431CS..PPolyproline II helixtrans-64150.7174.525.5-31.3000109.8Q452 H462 L465Q452-P454 WeakPolarHBondContact O-CD 3.46Å; P454-H462 HydrophobicContact CG-CB 4.46Å; P454-L465 HydrophobicContact CG-CD1 4.19Å
455P60.1Low66Low92 Ų9273.4 Ų73.460%0.59742%0.424SS*.PPolyproline II helixtrans-55.4146.1168.422.3-30.6000110.2S457 S458P455-S457 PolarHBondContact O-N 3.18Å; P455-S458 PolarHBondContact O-N 3.21Å; P455-S458 PolarHBondContact O-OG 3.06Å
456S56.9Low65.9Low56 Ų5675.7 Ų75.739%0.39243%0.432SS..G310 helixtrans-55.7-22.2-169.252.20000114.7E404 S458E404-S456 WeakPolarHBondContact OE1-CB 3.39Å; E404-S456 PolarHBondContact OE1-OG 3.31Å; S456-S458 VanDerWaalsContact C-N 3.35Å; S456-S458 PolarHBondContact O-N 3.28Å
457S50.1Low66.4Low112 Ų11271.2 Ų71.278%0.78341%0.412SS*.G310 helixtrans-76.7-5.6178.660.20000115.9P455P455-S457 PolarHBondContact O-N 3.18Å
458S53.4Low67.1Low42 Ų4264.2 Ų64.229%0.29438%0.379SS..G310 helixtrans-128.76.6-177.661.30000115.1P455 S456 E460 N461P455-S458 PolarHBondContact O-N 3.21Å; P455-S458 PolarHBondContact O-OG 3.06Å; S456-S458 VanDerWaalsContact C-N 3.35Å; S456-S458 PolarHBondContact O-N 3.28Å; S458-E460 VanDerWaalsContact C-N 3.28Å; S458-E460 PolarHBondContact O-N 3.18Å; S458-N461 PolarHBondContact O-N 3.07Å
459A51.8Low67.8Low10 Ų1062.5 Ų62.58%0.08336%0.361CS..G310 helixtrans-60.6-30.8-173.800000114.4A430 N461 H462A430-A459 HydrophobicContact CB-CB 3.75Å; A459-N461 PolarHBondContact O-N 2.88Å; A459-H462 PolarHBondContact O-N 3.03Å
460E52.7Low68.5Low66 Ų6658.7 Ų58.731%0.30834%0.341SS..G310 helixtrans-67-20.4-178.8-61.9-176.6174.200113.4T423 N426 S458T423-E460 HydrophobicContact CG2-CB 4.49Å; N426-E460 PolarHBondContact ND2-O 3.24Å; S458-E460 VanDerWaalsContact C-N 3.28Å; S458-E460 PolarHBondContact O-N 3.18Å
461N53.3Low69.3Low138 Ų13854.4 Ų54.474%0.73831%0.311SS*.G310 helixtrans-100.56.3-175.8-69.2-35.2000114.1S458 A459 P463S458-N461 PolarHBondContact O-N 3.07Å; A459-N461 PolarHBondContact O-N 2.88Å; N461-P463 VanDerWaalsContact O-CD 3.28Å; N461-P463 WeakPolarHBondContact O-CD 3.15Å
462H56.1Low70.3Confident90 Ų9056 Ų5642%0.41732%0.319SS..  trans-106.8100.9-175.3-129-74000112.4P454 A459 A464P454-H462 HydrophobicContact CG-CB 4.46Å; A459-H462 PolarHBondContact O-N 3.03Å; H462-A464 PolarHBondContact O-N 3.09Å; H462-A464 VanDerWaalsContact O-N 3.08Å
463P55.6Low71.5Confident106 Ų10648.3 Ų48.369%0.68828%0.284SS*.THydrogen-bonded Turntrans-72.50.8-175.228-35000115.3N461N461-P463 VanDerWaalsContact O-CD 3.28Å; N461-P463 WeakPolarHBondContact O-CD 3.15Å
464A56.9Low72.9Confident39 Ų3945.5 Ų45.532%0.32227%0.271SS..THydrogen-bonded Turntrans-96.2-5.6-169.900000114.7H462H462-A464 PolarHBondContact O-N 3.09Å; H462-A464 VanDerWaalsContact O-N 3.08Å
465L66.1Low74.7Confident7 Ų744.9 Ų44.94%0.03727%0.266CS..  trans-97.8100-176.1-59.6-179.6000109.8L429 A430 C433 I451 M453 P454L429-L465 VanDerWaalsContact CB-O 3.25Å; L429-L465 WeakPolarHBondContact CB-O 3.42Å; L429-L465 WeakPolarHBondContact CD1-O 3.36Å; A430-L465 HydrophobicContact CB-CD1 3.88Å; C433-L465 HydrophobicContact CB-CD2 4.38Å; I451-L465 HydrophobicContact CD1-CD2 4.3Å; I451-L465 HydrophobicContact CG2-CD2 3.35Å; M453-L465 HydrophobicContact CE-CD1 4.24Å; M453-L465 HydrophobicContact SD-CD2 4.3Å; P454-L465 HydrophobicContact CG-CD1 4.19Å
466K82Confident76.4Confident77 Ų7742.4 Ų42.434%0.33525%0.246SC..  trans-120.847.8179-60.2179.9-172.3170.40112E446 P491 F492E446-K466 IonicContact OE1-NZ 3.75Å; E446-K466 PolarHBondContact OE1-NZ 3.22Å; K466-P491 HydrophobicContact CB-CB 3.66Å; K466-P491 HydrophobicContact CD-CB 3.91Å; K466-P491 HydrophobicContact CD-CG 4.45Å; K466-P491 HydrophobicContact CG-CB 4.47Å; K466-P491 CarbonylContact O-C 3.52Å; K466-P491 WeakPolarHBondContact O-CA 3.39Å; K466-F492 PolarHBondContact O-N 2.77Å
467C90.9Very high78.3Confident1 Ų140.9 Ų40.91%0.00724%0.239CC..EExtended strand (participates in β ladder)trans-95.9123.4167.8-173.50000108.7L429 H432 C433 T490 F492L429-C467 WeakPolarHBondContact CD2-O 3.48Å; H432-C467 VanDerWaalsContact CB-O 3.29Å; H432-C467 WeakPolarHBondContact CB-O 3.39Å; C433-C467 WeakPolarHBondContact SG-CB 3.33Å; C467-T490 HydrophobicContact CB-CG2 4.47Å; C467-F492 CarbonylContact C-O 3.24Å; C467-F492 WeakPolarHBondContact CA-O 3.41Å
468E96.1Very high80.5Confident4 Ų437.8 Ų37.82%0.01921%0.212CC..EExtended strand (participates in β ladder)trans-117.2124.8171.6-167.5-172156.500110.1P134 S135 L429 F492 I493 L494P134-E468 WeakPolarHBondContact CB-OE2 3.45Å; P134-E468 VanDerWaalsContact CD-OE2 3.23Å; P134-E468 WeakPolarHBondContact CD-OE2 3.18Å; P134-E468 HydrophobicContact CG-CB 4.31Å; S135-E468 WeakPolarHBondContact CB-OE1 3.47Å; S135-E468 VanDerWaalsContact CB-OE2 3.28Å; S135-E468 WeakPolarHBondContact CB-OE2 3.47Å; S135-E468 PolarHBondContact N-OE2 2.86Å; S135-E468 PolarHBondContact OG-OE1 2.93Å; S135-E468 PolarHBondContact OG-OE2 2.96Å; S135-E468 VanDerWaalsContact OG-OE2 3.09Å; L429-E468 HydrophobicContact CD2-CB 3.9Å; L429-E468 HydrophobicContact CD2-CG 4.36Å; E468-F492 PolarHBondContact N-O 3.42Å; E468-I493 HydrophobicContact CB-CG1 4.45Å; E468-I493 CarbonylContact O-C 3.47Å; E468-I493 WeakPolarHBondContact O-CA 3.43Å; E468-L494 PolarHBondContact O-N 2.87Å
469I98Very high82.5Confident1 Ų137.4 Ų37.41%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-108.8123.7173.8-60.3169.6000107.3H432 W435 V473 L480 L494H432-I469 HydrophobicContact CB-CB 4.35Å; H432-I469 HydrophobicContact CB-CD1 4.05Å; H432-I469 HydrophobicContact CB-CG1 4.03Å; H432-I469 PolarHBondContact CE1-N 3.12Å; H432-I469 PolarHBondContact CE1-O 3.3Å; H432-I469 PolarHBondContact ND1-N 3.11Å; H432-I469 PolarHBondContact NE2-O 3.23Å; W435-I469 HydrophobicContact CB-CD1 4.25Å; W435-I469 HydrophobicContact CE3-CD1 4.29Å; I469-V473 HydrophobicContact CG2-CB 4.19Å; I469-V473 HydrophobicContact CG2-CG1 4.36Å; I469-L480 HydrophobicContact CD1-CD1 3.74Å; I469-L480 HydrophobicContact CD1-CD2 4.24Å; I469-L480 HydrophobicContact CG2-CD2 4.2Å; I469-L494 HydrophobicContact CG1-CB 4.14Å; I469-L494 HydrophobicContact CG1-CD2 4.31Å; I469-L494 HydrophobicContact CG2-CD2 4.28Å
470S98.4Very high84.6Confident5 Ų537.1 Ų37.14%0.03521%0.212CC..  trans-63.7135.8176.4-179.80000110.2K137 E145 L472 V473 S474 L494K137-S470 PolarHBondContact NZ-OG 3.27Å; E145-S470 PolarHBondContact OE2-OG 3.28Å; S470-L472 PolarHBondContact O-N 3.44Å; S470-L472 PolarHBondContact OG-N 2.74Å; S470-V473 WeakPolarHBondContact O-CB 3.27Å; S470-V473 PolarHBondContact O-N 2.83Å; S470-S474 PolarHBondContact O-N 3Å; S470-L494 WeakPolarHBondContact CB-O 3.46Å; S470-L494 PolarHBondContact N-O 2.97Å
471P98.4Very high86.7Confident8 Ų840.1 Ų40.15%0.05223%0.226CC..THydrogen-bonded Turntrans-52.7-28.5172.8-27.932.9000114.3I142 E145 R146 K149 V473 S474I142-P471 HydrophobicContact CG2-CG 4.19Å; E145-P471 HydrophobicContact CB-CB 3.82Å; E145-P471 HydrophobicContact CB-CG 4.1Å; E145-P471 WeakPolarHBondContact OE2-CD 3.28Å; R146-P471 HydrophobicContact CB-CB 4.46Å; R146-P471 HydrophobicContact CG-CB 3.66Å; R146-P471 HydrophobicContact CG-CG 3.98Å; K149-P471 VanDerWaalsContact CB-O 3.23Å; K149-P471 WeakPolarHBondContact CB-O 3.2Å; K149-P471 WeakPolarHBondContact CG-O 3.47Å; P471-V473 VanDerWaalsContact C-N 3.27Å; P471-V473 PolarHBondContact O-N 3.03Å; P471-S474 WeakPolarHBondContact CA-O 3.2Å; P471-S474 CarbonylContact O-C 3.46Å
472L97.9Very high88.7Confident63 Ų6335.7 Ų35.733%0.3321%0.205SC..THydrogen-bonded Turntrans-68.4-25176-61.4179.9000113.2E145 L148 K149 S470E145-L472 HydrophobicContact CB-CD2 4.03Å; E145-L472 HydrophobicContact CB-CG 4.04Å; E145-L472 HydrophobicContact CG-CD1 4.25Å; E145-L472 HydrophobicContact CG-CD2 4.28Å; E145-L472 HydrophobicContact CG-CG 4.04Å; L148-L472 HydrophobicContact CB-CD2 3.82Å; L148-L472 HydrophobicContact CD1-CD2 4.24Å; K149-L472 WeakPolarHBondContact CD-O 3.43Å; K149-L472 WeakPolarHBondContact CE-O 3.24Å; K149-L472 PolarHBondContact NZ-O 3.26Å; S470-L472 PolarHBondContact O-N 3.44Å; S470-L472 PolarHBondContact OG-N 2.74Å
473V98Very high90.5Very high17 Ų1731.6 Ų31.610%0.10319%0.186CC..THydrogen-bonded Turntrans-81.5-52.9174178.40000109.8K149 I469 S470 P471 L480 L494 D495 A499K149-V473 WeakPolarHBondContact CE-O 3.2Å; K149-V473 PolarHBondContact NZ-O 3.47Å; I469-V473 HydrophobicContact CG2-CB 4.19Å; I469-V473 HydrophobicContact CG2-CG1 4.36Å; S470-V473 WeakPolarHBondContact O-CB 3.27Å; S470-V473 PolarHBondContact O-N 2.83Å; P471-V473 VanDerWaalsContact C-N 3.27Å; P471-V473 PolarHBondContact O-N 3.03Å; V473-L480 HydrophobicContact CG1-CD2 4.17Å; V473-L494 HydrophobicContact CG1-CD2 3.9Å; V473-L494 HydrophobicContact CG1-CG 4.01Å; V473-L494 HydrophobicContact CG2-CG 4.44Å; V473-D495 WeakPolarHBondContact CG2-O 3.36Å; V473-A499 HydrophobicContact CB-CB 4.49Å; V473-A499 HydrophobicContact CG1-CB 3.88Å; V473-A499 HydrophobicContact CG2-CB 3.78Å
474S98.2Very high92.4Very high1 Ų134.4 Ų34.41%0.00719%0.187CC..  trans-138.7123.2-179.1-171.90000109.9S470 P471 G477 E478S470-S474 PolarHBondContact O-N 3Å; P471-S474 WeakPolarHBondContact CA-O 3.2Å; P471-S474 CarbonylContact O-C 3.46Å; S474-G477 WeakPolarHBondContact OG-CA 3.31Å; S474-G477 PolarHBondContact OG-N 3.45Å; S474-E478 VanDerWaalsContact CB-O 3.26Å; S474-E478 WeakPolarHBondContact CB-O 3.44Å; S474-E478 PolarHBondContact OG-N 3.15Å; S474-E478 VanDerWaalsContact OG-N 3.08Å; S474-E478 PolarHBondContact OG-O 3Å
475Y97.9Very high94.1Very high7 Ų735.9 Ų35.93%0.02721%0.206CC..SBendtrans-70.1-46.5178.7172-110.2000111.1R146 I150 L153 K262 M263 D265 E478R146-Y475 HydrophobicContact CB-CD2 4.17Å; R146-Y475 HydrophobicContact CB-CE2 4.08Å; R146-Y475 HydrophobicContact CG-CD2 4.37Å; I150-Y475 HydrophobicContact CB-CD2 4.28Å; I150-Y475 HydrophobicContact CB-CE2 3.99Å; I150-Y475 HydrophobicContact CD1-CD1 4.19Å; I150-Y475 HydrophobicContact CD1-CE1 3.89Å; I150-Y475 HydrophobicContact CD1-CE2 4.3Å; I150-Y475 HydrophobicContact CG1-CE2 4.48Å; L153-Y475 HydrophobicContact CD1-CD1 4.39Å; L153-Y475 HydrophobicContact CD1-CG 4.18Å; K262-Y475 HydrophobicContact CD-CE1 4.35Å; K262-Y475 HydrophobicContact CG-CE1 3.83Å; K262-Y475 VanDerWaalsContact CG-OH 3.3Å; K262-Y475 WeakPolarHBondContact CG-OH 3.35Å; M263-Y475 WeakPolarHBondContact O-CE2 3.44Å; M263-Y475 PolarHBondContact O-OH 3.02Å; D265-Y475 WeakPolarHBondContact CA-OH 3.22Å; Y475-E478 VanDerWaalsContact CB-OE1 3.28Å; Y475-E478 WeakPolarHBondContact CB-OE1 3.32Å; Y475-E478 PolarHBondContact N-OE1 2.85Å; Y475-E478 PolarHBondContact N-OE2 3.13Å
476F96.4Very high95.3Very high40 Ų4040.2 Ų40.218%0.17523%0.225CC..SBendtrans-153.238.5-174.2-143-103.5000113.4K262 D405 E406 W435 E478K262-F476 HydrophobicContact CB-CD2 4.24Å; K262-F476 HydrophobicContact CB-CE2 3.91Å; K262-F476 HydrophobicContact CB-CZ 4.47Å; K262-F476 HydrophobicContact CD-CD1 3.83Å; K262-F476 HydrophobicContact CD-CD2 3.68Å; K262-F476 HydrophobicContact CD-CE1 3.86Å; K262-F476 HydrophobicContact CD-CE2 3.73Å; K262-F476 HydrophobicContact CD-CG 3.73Å; K262-F476 HydrophobicContact CD-CZ 3.81Å; K262-F476 HydrophobicContact CG-CD2 3.68Å; K262-F476 HydrophobicContact CG-CE2 3.82Å; K262-F476 HydrophobicContact CG-CG 4.15Å; K262-F476 HydrophobicContact CG-CZ 4.38Å; D405-F476 HydrophobicContact CB-CE1 4.12Å; D405-F476 HydrophobicContact CB-CZ 3.87Å; D405-F476 VanDerWaalsContact O-CZ 3.23Å; D405-F476 WeakPolarHBondContact O-CZ 3.3Å; E406-F476 HydrophobicContact CG-CE1 4.32Å; E406-F476 HydrophobicContact CG-CE2 4.29Å; E406-F476 HydrophobicContact CG-CZ 3.53Å; W435-F476 VanDerWaalsContact CH2-CA 3.5Å; W435-F476 HydrophobicContact CH2-CD2 4.26Å; W435-F476 VanDerWaalsContact CZ2-C 3.47Å; W435-F476 HydrophobicContact CZ2-CB 4.42Å; W435-F476 HydrophobicContact CZ2-CD1 4.47Å; W435-F476 HydrophobicContact CZ2-CD2 4.01Å; W435-F476 HydrophobicContact CZ2-CE2 4.36Å; W435-F476 HydrophobicContact CZ2-CG 4.07Å; F476-E478 PolarHBondContact N-OE2 3.18Å
477G96.3Very high95.8Very high24 Ų2441 Ų4125%0.24724%0.236CC..SBendtrans101-7.7175.300000115.2W435 S474W435-G477 VanDerWaalsContact CD2-CA 3.46Å; S474-G477 WeakPolarHBondContact OG-CA 3.31Å; S474-G477 PolarHBondContact OG-N 3.45Å
478E96.4Very high95.7Very high47 Ų4741.4 Ų41.422%0.2224%0.238CC..THydrogen-bonded Turntrans-76.7157.2175.981.7-61.7156.400113.1L153 S474 Y475 F476 L480L153-E478 WeakPolarHBondContact CD1-OE1 3.43Å; L153-E478 HydrophobicContact CD2-CG 4.38Å; S474-E478 VanDerWaalsContact CB-O 3.26Å; S474-E478 WeakPolarHBondContact CB-O 3.44Å; S474-E478 PolarHBondContact OG-N 3.15Å; S474-E478 VanDerWaalsContact OG-N 3.08Å; S474-E478 PolarHBondContact OG-O 3Å; Y475-E478 VanDerWaalsContact CB-OE1 3.28Å; Y475-E478 WeakPolarHBondContact CB-OE1 3.32Å; Y475-E478 PolarHBondContact N-OE1 2.85Å; Y475-E478 PolarHBondContact N-OE2 3.13Å; F476-E478 PolarHBondContact N-OE2 3.18Å; E478-L480 VanDerWaalsContact C-N 3.34Å; E478-L480 PolarHBondContact O-N 3.41Å
479G95.3Very high95.4Very high35 Ų3548.5 Ų48.536%0.36126%0.264SS..THydrogen-bonded Turntrans78.115.517200000115E481G479-E481 WeakPolarHBondContact CA-OE2 3.22Å
480L96.8Very high94.8Very high4 Ų448.7 Ų48.72%0.02127%0.266CS..  trans-99.65.5-177-63.2178000113.5W435 A439 I469 V473 E478 P482 L483 L494W435-L480 HydrophobicContact CB-CD1 3.61Å; A439-L480 HydrophobicContact CB-CB 3.72Å; A439-L480 WeakPolarHBondContact CB-O 3.42Å; I469-L480 HydrophobicContact CD1-CD1 3.74Å; I469-L480 HydrophobicContact CD1-CD2 4.24Å; I469-L480 HydrophobicContact CG2-CD2 4.2Å; V473-L480 HydrophobicContact CG1-CD2 4.17Å; E478-L480 VanDerWaalsContact C-N 3.34Å; E478-L480 PolarHBondContact O-N 3.41Å; L480-P482 VanDerWaalsContact O-N 3.12Å; L480-L483 HydrophobicContact CB-CD1 4.21Å; L480-L483 HydrophobicContact CD2-CD1 4.22Å; L480-L483 VanDerWaalsContact O-CB 3.3Å; L480-L483 WeakPolarHBondContact O-CB 3.49Å; L480-L483 WeakPolarHBondContact O-CG 3.5Å; L480-L483 PolarHBondContact O-N 3.4Å; L480-L494 HydrophobicContact CD2-CD2 3.71Å
481E95.3Very high94.3Very high129 Ų12952 Ų5260%0.60329%0.287SS*.G310 helixtrans-51.1-32.7177.8-58.578.2-172.900114.3G479 L483 K484G479-E481 WeakPolarHBondContact CA-OE2 3.22Å; E481-L483 PolarHBondContact O-N 2.92Å; E481-L483 VanDerWaalsContact O-N 3.1Å; E481-K484 WeakPolarHBondContact O-CB 3.48Å; E481-K484 PolarHBondContact O-N 3.42Å
482P95.2Very high93.9Very high44 Ų4454 Ų5429%0.28630%0.295SS..G310 helixtrans-60-16.3173.8-2737.2000115.3L480 K484 L502 Q503L480-P482 VanDerWaalsContact O-N 3.12Å; P482-K484 VanDerWaalsContact C-N 3.27Å; P482-L502 HydrophobicContact CB-CB 4.32Å; P482-Q503 HydrophobicContact CG-CG 4.1Å
483L94.3Very high93.8Very high4 Ų454 Ų542%0.02130%0.295CS..G310 helixtrans-78.3-10.2175.2-59.6-179.4000113.3A436 A439 A441 L480 E481 G485 K486 I488 L494 L502A436-L483 HydrophobicContact CB-CD1 4.02Å; A439-L483 HydrophobicContact CB-CB 4.42Å; A441-L483 HydrophobicContact CB-CB 4.11Å; L480-L483 HydrophobicContact CB-CD1 4.21Å; L480-L483 HydrophobicContact CD2-CD1 4.22Å; L480-L483 VanDerWaalsContact O-CB 3.3Å; L480-L483 WeakPolarHBondContact O-CB 3.49Å; L480-L483 WeakPolarHBondContact O-CG 3.5Å; L480-L483 PolarHBondContact O-N 3.4Å; E481-L483 PolarHBondContact O-N 2.92Å; E481-L483 VanDerWaalsContact O-N 3.1Å; L483-G485 PolarHBondContact O-N 3.48Å; L483-K486 VanDerWaalsContact O-CB 3.25Å; L483-K486 WeakPolarHBondContact O-CB 3.25Å; L483-K486 WeakPolarHBondContact O-CG 3.4Å; L483-K486 PolarHBondContact O-N 2.93Å; L483-I488 HydrophobicContact CD1-CD1 4.22Å; L483-I488 HydrophobicContact CD2-CD1 4.11Å; L483-L494 HydrophobicContact CD1-CD2 4.12Å; L483-L494 HydrophobicContact CD2-CD2 4.3Å; L483-L502 HydrophobicContact CD2-CD1 3.6Å
484K95.2Very high93.7Very high166 Ų16653.4 Ų53.472%0.72229%0.291SS*.THydrogen-bonded Turntrans-57.1123.8-176.6-174.3175.5-178.2175.60111.8A439 E481 P482 K486A439-K484 WeakPolarHBondContact O-CA 3.33Å; A439-K484 WeakPolarHBondContact O-CB 3.47Å; E481-K484 WeakPolarHBondContact O-CB 3.48Å; E481-K484 PolarHBondContact O-N 3.42Å; P482-K484 VanDerWaalsContact C-N 3.27Å; K484-K486 PolarHBondContact O-N 3.48Å
485G93.1Very high93.5Very high69 Ų6956.6 Ų56.671%0.71131%0.308SS*.THydrogen-bonded Turntrans73.55-18000000114.5G440 L483G440-G485 PolarHBondContact O-N 2.84Å; L483-G485 PolarHBondContact O-N 3.48Å
486K92.2Very high93Very high99 Ų9958.6 Ų58.643%0.4333%0.33SS..  trans-82.3150.8173.2-57.5-70.2-176.3168.90110.1A441 A442 L483 K484A441-K486 CarbonylContact C-O 3.54Å; A441-K486 WeakPolarHBondContact CA-O 3.1Å; A442-K486 PolarHBondContact N-O 2.98Å; L483-K486 VanDerWaalsContact O-CB 3.25Å; L483-K486 WeakPolarHBondContact O-CB 3.25Å; L483-K486 WeakPolarHBondContact O-CG 3.4Å; L483-K486 PolarHBondContact O-N 2.93Å; K484-K486 PolarHBondContact O-N 3.48Å
487T92.1Very high92.7Very high94 Ų9459.7 Ų59.758%0.57735%0.347SS*.EExtended strand (participates in β ladder)trans-106.3117.8170.7-57.60000108.7A442 L444A442-T487 CarbonylContact O-C 3.6Å; A442-T487 WeakPolarHBondContact O-CA 3.35Å; L444-T487 HydrophobicContact CD1-CG2 3.4Å; L444-T487 HydrophobicContact CD2-CG2 4.38Å; L444-T487 HydrophobicContact CG-CG2 3.6Å
488I89.3Confident92.4Very high8 Ų859.5 Ų59.54%0.04134%0.343CS..EExtended strand (participates in β ladder)trans-106.1120-177.8-60.5171.2000108.3A436 A441 A442 L443 L444 L483 F492A436-I488 HydrophobicContact CB-CD1 4.18Å; A441-I488 HydrophobicContact CB-CD1 3.67Å; A441-I488 HydrophobicContact CB-CG1 4.27Å; A442-I488 PolarHBondContact O-N 3.02Å; L443-I488 CarbonylContact C-O 3.42Å; L443-I488 WeakPolarHBondContact CA-O 3.48Å; L443-I488 HydrophobicContact CD2-CB 4.05Å; L443-I488 HydrophobicContact CD2-CD1 4.43Å; L443-I488 HydrophobicContact CD2-CG2 4.22Å; L444-I488 PolarHBondContact N-O 3.02Å; L483-I488 HydrophobicContact CD1-CD1 4.22Å; L483-I488 HydrophobicContact CD2-CD1 4.11Å; I488-F492 HydrophobicContact CD1-CD1 4.36Å; I488-F492 HydrophobicContact CD1-CE1 4.14Å; I488-F492 HydrophobicContact CG1-CE1 4.49Å; I488-F492 HydrophobicContact CG2-CB 3.48Å; I488-F492 VanDerWaalsContact CG2-CB 3.48Å; I488-F492 HydrophobicContact CG2-CD1 3.45Å; I488-F492 VanDerWaalsContact CG2-CD1 3.45Å; I488-F492 HydrophobicContact CG2-CD2 3.98Å; I488-F492 HydrophobicContact CG2-CE1 4.09Å; I488-F492 HydrophobicContact CG2-CG 3.36Å
489R88.8Confident92Very high153 Ų15358 Ų5858%0.57734%0.339SS*.EExtended strand (participates in β ladder)trans-93.4128.2172.2-170.4179-176.9-179.9-0.7109.4D445 E446D445-R489 WeakPolarHBondContact O-CG 3.35Å; E446-R489 PolarHBondContact O-NE 3.17Å; E446-R489 PolarHBondContact O-NH2 3.34Å
490T85.1Confident91.6Very high5 Ų559 Ų593%0.03134%0.344CS..SBendtrans-88.1146.5178.757.40000111.4L444 E446 I451 C467L444-T490 PolarHBondContact O-N 3.07Å; L444-T490 PolarHBondContact O-OG1 2.69Å; E446-T490 VanDerWaalsContact CG-O 3.29Å; E446-T490 WeakPolarHBondContact CG-O 3.28Å; I451-T490 HydrophobicContact CD1-CG2 4.35Å; C467-T490 HydrophobicContact CB-CG2 4.47Å
491P87.4Confident91.2Very high74 Ų7465.9 Ų65.948%0.48138%0.376SS..SBendcis-69.4139.7-0.329.8-34.8000113.9K466K466-P491 HydrophobicContact CB-CB 3.66Å; K466-P491 HydrophobicContact CD-CB 3.91Å; K466-P491 HydrophobicContact CD-CG 4.45Å; K466-P491 HydrophobicContact CG-CB 4.47Å; K466-P491 CarbonylContact O-C 3.52Å; K466-P491 WeakPolarHBondContact O-CA 3.39Å
492F90.6Very high90.7Very high51 Ų5162 Ų6222%0.22436%0.359CS..EExtended strand (participates in β ladder)trans-136.2136.1-179.9178.5-110.3000109.9K466 C467 E468 I488 L494K466-F492 PolarHBondContact O-N 2.77Å; C467-F492 CarbonylContact C-O 3.24Å; C467-F492 WeakPolarHBondContact CA-O 3.41Å; E468-F492 PolarHBondContact N-O 3.42Å; I488-F492 HydrophobicContact CD1-CD1 4.36Å; I488-F492 HydrophobicContact CD1-CE1 4.14Å; I488-F492 HydrophobicContact CG1-CE1 4.49Å; I488-F492 HydrophobicContact CG2-CB 3.48Å; I488-F492 VanDerWaalsContact CG2-CB 3.48Å; I488-F492 HydrophobicContact CG2-CD1 3.45Å; I488-F492 VanDerWaalsContact CG2-CD1 3.45Å; I488-F492 HydrophobicContact CG2-CD2 3.98Å; I488-F492 HydrophobicContact CG2-CE1 4.09Å; I488-F492 HydrophobicContact CG2-CG 3.36Å; F492-L494 HydrophobicContact CD1-CB 4.48Å; F492-L494 HydrophobicContact CE1-CB 3.73Å; F492-L494 HydrophobicContact CE1-CD1 4.42Å; F492-L494 HydrophobicContact CZ-CB 4.24Å; F492-L494 HydrophobicContact CZ-CD1 4.23Å
493I95.3Very high89.9Confident63 Ų6366.8 Ų66.832%0.32338%0.377SS..EExtended strand (participates in β ladder)trans-120.4122.5174.1-55.5178.2000107.6P134 E468 D495P134-I493 HydrophobicContact CB-CD1 3.54Å; P134-I493 HydrophobicContact CB-CG1 3.73Å; E468-I493 HydrophobicContact CB-CG1 4.45Å; E468-I493 CarbonylContact O-C 3.47Å; E468-I493 WeakPolarHBondContact O-CA 3.43Å; I493-D495 HydrophobicContact CG2-CB 4.4Å
494L95.9Very high88.6Confident4 Ų473.2 Ų73.22%0.02143%0.431CS..EExtended strand (participates in β ladder)trans-101.292170.3-17461000109.1E468 I469 S470 V473 L480 L483 F492 A498 A499 L502E468-L494 PolarHBondContact O-N 2.87Å; I469-L494 HydrophobicContact CG1-CB 4.14Å; I469-L494 HydrophobicContact CG1-CD2 4.31Å; I469-L494 HydrophobicContact CG2-CD2 4.28Å; S470-L494 WeakPolarHBondContact CB-O 3.46Å; S470-L494 PolarHBondContact N-O 2.97Å; V473-L494 HydrophobicContact CG1-CD2 3.9Å; V473-L494 HydrophobicContact CG1-CG 4.01Å; V473-L494 HydrophobicContact CG2-CG 4.44Å; L480-L494 HydrophobicContact CD2-CD2 3.71Å; L483-L494 HydrophobicContact CD1-CD2 4.12Å; L483-L494 HydrophobicContact CD2-CD2 4.3Å; F492-L494 HydrophobicContact CD1-CB 4.48Å; F492-L494 HydrophobicContact CE1-CB 3.73Å; F492-L494 HydrophobicContact CE1-CD1 4.42Å; F492-L494 HydrophobicContact CZ-CB 4.24Å; F492-L494 HydrophobicContact CZ-CD1 4.23Å; L494-A498 HydrophobicContact CD1-CB 4.05Å; L494-A499 HydrophobicContact CD1-CB 4.05Å; L494-L502 HydrophobicContact CD1-CD1 3.54Å
495D94.2Very high88.3Confident68 Ų6868.6 Ų68.636%0.36442%0.417SS..  trans-99.7-175.5171.768.321.2000111.7V473 I493 A497 A498 A499V473-D495 WeakPolarHBondContact CG2-O 3.36Å; I493-D495 HydrophobicContact CG2-CB 4.4Å; D495-A497 VanDerWaalsContact C-N 3.27Å; D495-A497 PolarHBondContact O-N 3.08Å; D495-A497 PolarHBondContact OD1-N 3.11Å; D495-A498 PolarHBondContact O-N 2.89Å; D495-A498 PolarHBondContact OD1-N 3.44Å; D495-A499 VanDerWaalsContact O-CB 3.23Å; D495-A499 WeakPolarHBondContact O-CB 3.41Å; D495-A499 PolarHBondContact O-N 2.93Å
496G88.8Confident88.1Confident49 Ų4968.5 Ų68.551%0.50540%0.401SS..Hα-helixtrans-62.5-31.6-17800000113.9A500G496-A500 WeakPolarHBondContact O-CB 3.48Å; G496-A500 PolarHBondContact O-N 3.38Å; G496-A500 VanDerWaalsContact O-N 3.16Å
497A89.1Confident87.8Confident63 Ų6366.8 Ų66.852%0.52140%0.399SS..Hα-helixtrans-74-49.7178.400000110.4D495 A499 A500 E501D495-A497 VanDerWaalsContact C-N 3.27Å; D495-A497 PolarHBondContact O-N 3.08Å; D495-A497 PolarHBondContact OD1-N 3.11Å; A497-A499 VanDerWaalsContact C-N 3.28Å; A497-A499 PolarHBondContact O-N 3.31Å; A497-A500 PolarHBondContact O-N 3.25Å; A497-A500 VanDerWaalsContact O-N 3.15Å; A497-E501 PolarHBondContact O-N 3.43Å; A497-E501 VanDerWaalsContact O-N 3.07Å
498A89.8Confident87.6Confident21 Ų2165.2 Ų65.217%0.17439%0.389CS..Hα-helixtrans-60.8-36.9176.500000112.3L494 D495 E501 L502L494-A498 HydrophobicContact CD1-CB 4.05Å; D495-A498 PolarHBondContact O-N 2.89Å; D495-A498 PolarHBondContact OD1-N 3.44Å; A498-E501 PolarHBondContact O-N 3.18Å; A498-L502 WeakPolarHBondContact O-CG 3.5Å; A498-L502 PolarHBondContact O-N 3.14Å; A498-L502 VanDerWaalsContact O-N 3.16Å
499A88.3Confident87.5Confident15 Ų1568.8 Ų68.812%0.12441%0.411CS..Hα-helixtrans-67.1-38.8175.900000112.6V473 L494 D495 A497 L502 Q503V473-A499 HydrophobicContact CB-CB 4.49Å; V473-A499 HydrophobicContact CG1-CB 3.88Å; V473-A499 HydrophobicContact CG2-CB 3.78Å; L494-A499 HydrophobicContact CD1-CB 4.05Å; D495-A499 VanDerWaalsContact O-CB 3.23Å; D495-A499 WeakPolarHBondContact O-CB 3.41Å; D495-A499 PolarHBondContact O-N 2.93Å; A497-A499 VanDerWaalsContact C-N 3.28Å; A497-A499 PolarHBondContact O-N 3.31Å; A499-L502 PolarHBondContact O-N 3.24Å; A499-Q503 WeakPolarHBondContact O-CG 3.37Å; A499-Q503 PolarHBondContact O-N 3.35Å
500A86.1Confident87.4Confident56 Ų5663.2 Ų63.246%0.46340%0.4SS..Hα-helixtrans-65.6-39175.900000111.8G496 A497 L502 Q503 A504G496-A500 WeakPolarHBondContact O-CB 3.48Å; G496-A500 PolarHBondContact O-N 3.38Å; G496-A500 VanDerWaalsContact O-N 3.16Å; A497-A500 PolarHBondContact O-N 3.25Å; A497-A500 VanDerWaalsContact O-N 3.15Å; A500-L502 VanDerWaalsContact C-N 3.3Å; A500-L502 PolarHBondContact O-N 2.88Å; A500-Q503 PolarHBondContact O-N 2.83Å; A500-A504 PolarHBondContact O-N 2.68Å
501E88.5Confident87.6Confident149 Ų14967.4 Ų67.470%0.69643%0.426SS*.Hα-helixtrans-64.6-31.9174.7-70.4178.6-175.300113.1A497 A498 Q503A497-E501 PolarHBondContact O-N 3.43Å; A497-E501 VanDerWaalsContact O-N 3.07Å; A498-E501 PolarHBondContact O-N 3.18Å; E501-Q503 VanDerWaalsContact C-N 3.32Å
502L85.6Confident87.6Confident48 Ų4866.8 Ų66.825%0.25142%0.422SS..Hα-helixtrans-75.3-20.8176.8-73.6168.3000113.7P482 L483 L494 A498 A499 A500P482-L502 HydrophobicContact CB-CB 4.32Å; L483-L502 HydrophobicContact CD2-CD1 3.6Å; L494-L502 HydrophobicContact CD1-CD1 3.54Å; A498-L502 WeakPolarHBondContact O-CG 3.5Å; A498-L502 PolarHBondContact O-N 3.14Å; A498-L502 VanDerWaalsContact O-N 3.16Å; A499-L502 PolarHBondContact O-N 3.24Å; A500-L502 VanDerWaalsContact C-N 3.3Å; A500-L502 PolarHBondContact O-N 2.88Å
503Q77.3Confident87.3Confident143 Ų14368.2 Ų68.267%0.66844%0.438SS*.Hα-helixtrans-92.7-17.6178.6-70.1178.5-600113.1P482 A499 A500 E501P482-Q503 HydrophobicContact CG-CG 4.1Å; A499-Q503 WeakPolarHBondContact O-CG 3.37Å; A499-Q503 PolarHBondContact O-N 3.35Å; A500-Q503 PolarHBondContact O-N 2.83Å; E501-Q503 VanDerWaalsContact C-N 3.32Å
504A68.8Low86.6Confident139 Ų13968.6 Ų68.6100%1.14945%0.449SS*.  trans-76.6017200000111.2A500A500-A504 PolarHBondContact O-N 2.68Å

Retrieved 504 of 504 residues in 959.5 ms (Link to these results)

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