A0A061HZX8_CRIGR Loading...

Hect domain and RLD 6

AlphaFold DB , UniProt , Accession A0A061HZX8, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Herc6, Length 1,000 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
1M75.6Confident76.2Confident51 Ų5156 Ų5625%0.25128%0.28SS..  01520-77.2176.5-95.400107.7R14 N16 V345 T361M1-R14 PolarHBondContact SD-NH2 3.41Å; M1-N16 WeakPolarHBondContact CG-OD1 3.09Å; M1-V345 HydrophobicContact CE-CG1 4.03Å; M1-T361 WeakPolarHBondContact CB-OG1 3.38Å; M1-T361 PolarHBondContact O-N 2.84Å; M1-T361 PolarHBondContact O-OG1 2.96Å
2Y80.9Confident76.6Confident21 Ų2154.2 Ų54.28%0.08228%0.275CS..EExtended strand (participates in β ladder)trans-144158.6174.368.1-84.2000111.1H4 L15 L23 F358 A359Y2-H4 HydrophobicContact CE2-CB 4.33Å; Y2-L15 HydrophobicContact CD1-CB 4.48Å; Y2-L15 HydrophobicContact CD2-CB 4.44Å; Y2-L15 HydrophobicContact CE1-CB 4.02Å; Y2-L15 HydrophobicContact CE2-CB 3.99Å; Y2-L15 HydrophobicContact CE2-CD1 3.66Å; Y2-L15 HydrophobicContact CE2-CG 4.46Å; Y2-L15 PolarHBondContact N-O 2.65Å; Y2-L15 PolarHBondContact O-N 3.1Å; Y2-L15 VanDerWaalsContact O-O 3.12Å; Y2-L23 HydrophobicContact CD1-CB 4.03Å; Y2-L23 HydrophobicContact CD1-CD2 4.25Å; Y2-L23 HydrophobicContact CD2-CD2 3.81Å; Y2-L23 HydrophobicContact CE2-CD2 4.27Å; Y2-L23 HydrophobicContact CG-CB 4.29Å; Y2-L23 HydrophobicContact CG-CD2 3.8Å; Y2-F358 HydrophobicContact CD2-CD1 4.28Å; Y2-F358 HydrophobicContact CE2-CD1 4.34Å; Y2-A359 CarbonylContact C-O 3.6Å; Y2-A359 WeakPolarHBondContact CA-O 3.5Å; Y2-A359 WeakPolarHBondContact CB-O 3.19Å
3F81.1Confident76.9Confident9 Ų964.5 Ų64.54%0.03931%0.309CS..EExtended strand (participates in β ladder)trans-106145.8173.2-66.7-96.1000109.5W5 P12 R13 R14 L337 L342 F358 A359 T361F3-W5 HydrophobicContact CB-CE3 4.4Å; F3-W5 HydrophobicContact CB-CZ3 4.02Å; F3-P12 HydrophobicContact CB-CB 4.32Å; F3-P12 HydrophobicContact CD1-CB 4.03Å; F3-R13 WeakPolarHBondContact CA-O 3.46Å; F3-R14 HydrophobicContact CD1-CB 4.05Å; F3-R14 HydrophobicContact CD1-CG 4.47Å; F3-R14 HydrophobicContact CE1-CB 3.77Å; F3-R14 HydrophobicContact CE1-CG 3.98Å; F3-R14 HydrophobicContact CZ-CB 4.42Å; F3-R14 HydrophobicContact CZ-CG 4.13Å; F3-L337 HydrophobicContact CB-CD1 4.2Å; F3-L337 HydrophobicContact CD1-CD1 4.44Å; F3-L337 HydrophobicContact CD1-CD2 3.62Å; F3-L337 HydrophobicContact CD2-CD1 4.05Å; F3-L337 HydrophobicContact CE1-CD2 3.73Å; F3-L337 HydrophobicContact CG-CD1 3.99Å; F3-L337 HydrophobicContact CG-CD2 4.02Å; F3-L337 HydrophobicContact CZ-CD2 4.25Å; F3-L342 HydrophobicContact CE2-CD2 3.74Å; F3-L342 HydrophobicContact CZ-CD2 4.22Å; F3-F358 VanDerWaalsContact O-CA 3.28Å; F3-F358 WeakPolarHBondContact O-CA 3.33Å; F3-A359 HydrophobicContact CB-CB 4.34Å; F3-A359 PolarHBondContact N-O 2.77Å; F3-A359 PolarHBondContact O-N 2.81Å; F3-T361 HydrophobicContact CD2-CG2 4.06Å; F3-T361 HydrophobicContact CE2-CG2 3.88Å
4H85.4Confident77.1Confident56 Ų5669.1 Ų69.126%0.25932%0.321SS..EExtended strand (participates in β ladder)trans-139137.6177.9162.8-98000110.6Y2 R13 L15 A356 N357 F358Y2-H4 HydrophobicContact CE2-CB 4.33Å; H4-R13 PolarHBondContact N-O 3.22Å; H4-R13 PolarHBondContact O-N 2.95Å; H4-L15 HydrophobicContact CB-CD1 4.02Å; H4-A356 WeakPolarHBondContact NE2-CB 3.39Å; H4-N357 WeakPolarHBondContact CA-O 3.19Å; H4-F358 HydrophobicContact CB-CD1 4.09Å; H4-F358 HydrophobicContact CB-CE1 4.14Å; H4-F358 AromaticContact CD2-CD1 3.94Å; H4-F358 AromaticContact CD2-CE1 3.32Å; H4-F358 WeakPolarHBondContact CD2-CE1 3.18Å; H4-F358 AromaticContact CD2-CZ 3.57Å
5W86.1Confident77.2Confident8 Ų868.9 Ų68.93%0.0332%0.323CS..EExtended strand (participates in β ladder)trans-148.7150.4169.357.1105.1000110.7F3 P12 I299 L336 A356 N357 A359F3-W5 HydrophobicContact CB-CE3 4.4Å; F3-W5 HydrophobicContact CB-CZ3 4.02Å; W5-P12 HydrophobicContact CD2-CB 4.39Å; W5-P12 HydrophobicContact CD2-CG 4.27Å; W5-P12 HydrophobicContact CE3-CB 3.82Å; W5-P12 HydrophobicContact CE3-CG 4.08Å; W5-P12 HydrophobicContact CZ3-CB 4.41Å; W5-I299 HydrophobicContact CZ2-CD1 3.87Å; W5-L336 HydrophobicContact CZ2-CD1 3.54Å; W5-A356 WeakPolarHBondContact O-CA 3.25Å; W5-N357 HydrophobicContact CD2-CB 3.85Å; W5-N357 HydrophobicContact CE3-CB 4.44Å; W5-N357 HydrophobicContact CG-CB 4.3Å; W5-N357 HydrophobicContact CH2-CB 4.05Å; W5-N357 HydrophobicContact CZ2-CB 3.42Å; W5-N357 VanDerWaalsContact CZ2-CB 3.42Å; W5-N357 PolarHBondContact N-O 3.34Å; W5-N357 PolarHBondContact NE1-ND2 3.28Å; W5-N357 PolarHBondContact O-N 3.13Å; W5-A359 HydrophobicContact CH2-CB 4.24Å; W5-A359 HydrophobicContact CZ3-CB 4.22Å
6A78.1Confident76.6Confident35 Ų3572.2 Ų72.229%0.28934%0.344SS..EExtended strand (participates in β ladder)trans-64.1150.7170.900000110.2D8 S9A6-D8 WeakPolarHBondContact CB-OD1 3.25Å; A6-D8 PolarHBondContact O-N 3.42Å; A6-S9 PolarHBondContact O-N 3.48Å
7A69.7Low75.8Confident13 Ų1369.3 Ų69.311%0.10734%0.337CS..THydrogen-bonded Turntrans-63.2-25.4-176.300000114.3A354 Y355A7-A354 WeakPolarHBondContact CB-O 3.17Å; A7-Y355 PolarHBondContact N-O 2.89Å; A7-Y355 VanDerWaalsContact N-O 3.11Å
8D69.4Low75.1Confident89 Ų8970.6 Ų70.648%0.47634%0.338SS..THydrogen-bonded Turntrans-90.4-12175.366.1-21000113.5A6A6-D8 WeakPolarHBondContact CB-OD1 3.25Å; A6-D8 PolarHBondContact O-N 3.42Å
9S71.3Confident74.5Confident46 Ų4674.8 Ų74.832%0.32236%0.362SS..  trans-95.1138-178.9179.30000111.8A6 Q11A6-S9 PolarHBondContact O-N 3.48Å; S9-Q11 PolarHBondContact OG-N 3.29Å
10R67.8Low74.4Confident134 Ų13474.9 Ų74.951%0.50638%0.384SS..  trans-9811.3177.3-60.4-177-176.5-176.7-0.3113.5P12 H313R10-P12 WeakPolarHBondContact O-CD 3.44Å; R10-H313 PolarHBondContact NH2-CD2 3.2Å; R10-H313 PolarHBondContact NH2-CE1 2.85Å; R10-H313 PolarHBondContact NH2-ND1 2.88Å; R10-H313 PolarHBondContact NH2-NE2 2.85Å
11Q73.5Confident74.8Confident154 Ų15473 Ų7372%0.7238%0.375SS*.  trans-117.198.6-175.4-69-171.1-5.700111.5S9 R13S9-Q11 PolarHBondContact OG-N 3.29Å; Q11-R13 PolarHBondContact O-N 2.97Å
12P80.6Confident75.3Confident34 Ų3473.9 Ų73.922%0.22138%0.378CS..PPolyproline II helixtrans-61.9128.1172.3-20.933.5000111.8F3 W5 R10 L336 L337F3-P12 HydrophobicContact CB-CB 4.32Å; F3-P12 HydrophobicContact CD1-CB 4.03Å; W5-P12 HydrophobicContact CD2-CB 4.39Å; W5-P12 HydrophobicContact CD2-CG 4.27Å; W5-P12 HydrophobicContact CE3-CB 3.82Å; W5-P12 HydrophobicContact CE3-CG 4.08Å; W5-P12 HydrophobicContact CZ3-CB 4.41Å; R10-P12 WeakPolarHBondContact O-CD 3.44Å; P12-L336 VanDerWaalsContact CG-O 3.25Å; P12-L336 WeakPolarHBondContact CG-O 3.26Å; P12-L337 HydrophobicContact CB-CD2 3.65Å; P12-L337 HydrophobicContact CB-CG 4.34Å; P12-L337 HydrophobicContact CG-CD2 3.69Å; P12-L337 HydrophobicContact CG-CG 4.04Å
13R80.5Confident75.7Confident189 Ų18973 Ų7371%0.71338%0.375SS*.EExtended strand (participates in β ladder)trans-95.2127.1169-65.2-175.4-179.2177.71.1109.4F3 H4 Q11F3-R13 WeakPolarHBondContact CA-O 3.46Å; H4-R13 PolarHBondContact N-O 3.22Å; H4-R13 PolarHBondContact O-N 2.95Å; Q11-R13 PolarHBondContact O-N 2.97Å
14R79.8Confident76.1Confident128 Ų12875.2 Ų75.248%0.48339%0.387SS..EExtended strand (participates in β ladder)trans-79.4125.9175.1-172.2176.6179.6166.72.9109.8M1 F3M1-R14 PolarHBondContact SD-NH2 3.41Å; F3-R14 HydrophobicContact CD1-CB 4.05Å; F3-R14 HydrophobicContact CD1-CG 4.47Å; F3-R14 HydrophobicContact CE1-CB 3.77Å; F3-R14 HydrophobicContact CE1-CG 3.98Å; F3-R14 HydrophobicContact CZ-CB 4.42Å; F3-R14 HydrophobicContact CZ-CG 4.13Å
15L77.8Confident76.4Confident67 Ų6774.7 Ų74.735%0.35138%0.384SS..EExtended strand (participates in β ladder)trans-123.5140179-67.2168.4000110.9Y2 H4Y2-L15 HydrophobicContact CD1-CB 4.48Å; Y2-L15 HydrophobicContact CD2-CB 4.44Å; Y2-L15 HydrophobicContact CE1-CB 4.02Å; Y2-L15 HydrophobicContact CE2-CB 3.99Å; Y2-L15 HydrophobicContact CE2-CD1 3.66Å; Y2-L15 HydrophobicContact CE2-CG 4.46Å; Y2-L15 PolarHBondContact N-O 2.65Å; Y2-L15 PolarHBondContact O-N 3.1Å; Y2-L15 VanDerWaalsContact O-O 3.12Å; H4-L15 HydrophobicContact CB-CD1 4.02Å
16N68.7Low76.8Confident121 Ų12174.5 Ų74.565%0.64738%0.384SS*.PPolyproline II helixtrans-82.7148.8168.4-71.2-27.6000109.4M1M1-N16 WeakPolarHBondContact CG-OD1 3.09Å
17G63.3Low77.5Confident23 Ų2373.4 Ų73.424%0.23738%0.375CS..PPolyproline II helixtrans-57.2140.2176.700000111.1D19 L21G17-D19 PolarHBondContact O-N 3.33Å; G17-L21 WeakPolarHBondContact CA-O 3.29Å
18R62.3Low78.6Confident93 Ų9373.5 Ų73.535%0.35138%0.376SS..G310 helixtrans-67.3124.8179.7-145.5-174.8-154176.810.1108.6G20 L21 Y43 P64R18-G20 PolarHBondContact O-N 2.99Å; R18-G20 VanDerWaalsContact O-N 3.08Å; R18-L21 VanDerWaalsContact O-CB 3.25Å; R18-L21 WeakPolarHBondContact O-CB 3.42Å; R18-L21 WeakPolarHBondContact O-CG 3.29Å; R18-L21 PolarHBondContact O-N 3.37Å; R18-Y43 VanDerWaalsContact NH1-CD1 3.34Å; R18-P64 PolarHBondContact NH1-O 2.98Å; R18-P64 PolarHBondContact NH2-O 2.93Å
19D64.8Low79.6Confident150 Ų15069.5 Ų69.580%0.80236%0.355SS*.G310 helixtrans51.731.8-179.9-51.5-38.1000114.8G17 L21G17-D19 PolarHBondContact O-N 3.33Å; D19-L21 VanDerWaalsContact C-N 3.32Å; D19-L21 PolarHBondContact O-N 2.8Å
20G71.9Confident80.4Confident77 Ų7770.4 Ų70.479%0.79435%0.354SS*.G310 helixtrans81.12.9-177.700000115.4R18R18-G20 PolarHBondContact O-N 2.99Å; R18-G20 VanDerWaalsContact O-N 3.08Å
21L81.9Confident81.4Confident36 Ų3669.5 Ų69.519%0.18835%0.351CS..PPolyproline II helixtrans-79.9134.5177.5-61.2169.5000112.1G17 R18 D19 F37 N39G17-L21 WeakPolarHBondContact CA-O 3.29Å; R18-L21 VanDerWaalsContact O-CB 3.25Å; R18-L21 WeakPolarHBondContact O-CB 3.42Å; R18-L21 WeakPolarHBondContact O-CG 3.29Å; R18-L21 PolarHBondContact O-N 3.37Å; D19-L21 VanDerWaalsContact C-N 3.32Å; D19-L21 PolarHBondContact O-N 2.8Å; L21-F37 HydrophobicContact CB-CB 4.19Å; L21-F37 HydrophobicContact CB-CD1 3.94Å; L21-F37 HydrophobicContact CB-CG 4.37Å; L21-F37 HydrophobicContact CD1-CB 4.47Å; L21-N39 VanDerWaalsContact CD1-ND2 3.33Å; L21-N39 WeakPolarHBondContact CD1-ND2 3.5Å; L21-N39 HydrophobicContact CD2-CB 3.81Å
22E87.1Confident82.4Confident68 Ų6862.2 Ų62.232%0.31832%0.317SS..PPolyproline II helixtrans-84135.5175.6-170.1-175.715300110.2L24 F37 S38 K348E22-L24 PolarHBondContact O-N 3.17Å; E22-F37 CarbonylContact O-C 3.58Å; E22-F37 WeakPolarHBondContact O-CA 3.37Å; E22-S38 PolarHBondContact N-OG 3.41Å; E22-S38 VanDerWaalsContact N-OG 3.11Å; E22-S38 PolarHBondContact O-N 2.81Å; E22-K348 IonicContact OE1-NZ 2.75Å; E22-K348 PolarHBondContact OE1-NZ 2.9Å
23L89.4Confident83Confident3 Ų360.6 Ų60.62%0.01631%0.306CS..EExtended strand (participates in β ladder)trans-71.6118.3170-178.369.3000108.7Y2 Q25 A26 L35 F37 F358 T360Y2-L23 HydrophobicContact CD1-CB 4.03Å; Y2-L23 HydrophobicContact CD1-CD2 4.25Å; Y2-L23 HydrophobicContact CD2-CD2 3.81Å; Y2-L23 HydrophobicContact CE2-CD2 4.27Å; Y2-L23 HydrophobicContact CG-CB 4.29Å; Y2-L23 HydrophobicContact CG-CD2 3.8Å; L23-Q25 WeakPolarHBondContact CD1-O 3.3Å; L23-A26 HydrophobicContact CD2-CB 4.44Å; L23-L35 HydrophobicContact CD1-CB 3.75Å; L23-L35 HydrophobicContact CD1-CD2 4.02Å; L23-L35 HydrophobicContact CD1-CG 4.38Å; L23-L35 HydrophobicContact CD2-CD2 4.41Å; L23-F37 HydrophobicContact CB-CD1 4.46Å; L23-F37 HydrophobicContact CB-CE1 4.29Å; L23-F37 HydrophobicContact CD1-CE1 4.27Å; L23-F37 HydrophobicContact CD1-CZ 4.3Å; L23-F358 HydrophobicContact CD2-CD1 4.33Å; L23-T360 HydrophobicContact CB-CG2 4.07Å; L23-T360 HydrophobicContact CD2-CG2 3.92Å; L23-T360 HydrophobicContact CG-CG2 4Å; L23-T360 VanDerWaalsContact O-CG2 3.29Å; L23-T360 WeakPolarHBondContact O-CG2 3.35Å
24L89.4Confident83.8Confident55 Ų5551.6 Ų51.629%0.28827%0.272SS..EExtended strand (participates in β ladder)trans-87.5-47.5178.5-65.6-176000111.7E22 L36E22-L24 PolarHBondContact O-N 3.17Å; L24-L36 HydrophobicContact CB-CG 4.42Å; L24-L36 PolarHBondContact N-O 3.41Å
25Q91.8Very high84.5Confident45 Ų4545.6 Ų45.621%0.2125%0.25CC..EExtended strand (participates in β ladder)trans-144.4145.4-177.1-168-177.5-3.800110.1L23 L36 V78 F351L23-Q25 WeakPolarHBondContact CD1-O 3.3Å; Q25-L36 HydrophobicContact CB-CB 4.15Å; Q25-L36 HydrophobicContact CB-CD2 4.24Å; Q25-L36 PolarHBondContact N-O 3.16Å; Q25-L36 PolarHBondContact O-N 3.34Å; Q25-V78 HydrophobicContact CB-CG2 4.34Å; Q25-V78 HydrophobicContact CG-CG2 4.1Å; Q25-V78 PolarHBondContact NE2-O 3.33Å; Q25-F351 HydrophobicContact CB-CE1 4.36Å; Q25-F351 HydrophobicContact CB-CZ 4.37Å; Q25-F351 HydrophobicContact CG-CD1 4.35Å; Q25-F351 HydrophobicContact CG-CE1 3.68Å; Q25-F351 HydrophobicContact CG-CZ 4.18Å
26A93.4Very high85.3Confident4 Ų442.5 Ų42.53%0.03323%0.234CC..EExtended strand (participates in β ladder)trans-123.8144.2165.700000109.8L23 L34 L35 F351 F358L23-A26 HydrophobicContact CD2-CB 4.44Å; A26-L34 CarbonylContact C-O 3.53Å; A26-L34 WeakPolarHBondContact CA-O 3.38Å; A26-L35 HydrophobicContact CB-CD2 3.74Å; A26-F351 HydrophobicContact CB-CB 4.07Å; A26-F351 HydrophobicContact CB-CD2 3.92Å; A26-F351 HydrophobicContact CB-CG 3.93Å; A26-F351 WeakPolarHBondContact O-CD1 3.25Å; A26-F351 WeakPolarHBondContact O-CG 3.5Å; A26-F358 HydrophobicContact CB-CB 3.98Å; A26-F358 HydrophobicContact CB-CD1 4.3Å; A26-F358 HydrophobicContact CB-CD2 3.47Å; A26-F358 VanDerWaalsContact CB-CD2 3.47Å; A26-F358 HydrophobicContact CB-CE2 4.01Å; A26-F358 HydrophobicContact CB-CG 3.65Å
27A94.2Very high86.4Confident12 Ų1236.8 Ų36.810%0.09920%0.203CC..EExtended strand (participates in β ladder)trans-128.7141.3167.900000108S33 L34 V78 C80A27-S33 CarbonylContact O-C 3.54Å; A27-S33 VanDerWaalsContact O-CA 3.28Å; A27-S33 WeakPolarHBondContact O-CA 3.46Å; A27-L34 PolarHBondContact N-O 2.94Å; A27-L34 PolarHBondContact O-N 3.13Å; A27-V78 HydrophobicContact CB-CB 4.44Å; A27-V78 HydrophobicContact CB-CG2 4.03Å; A27-C80 HydrophobicContact CB-CB 4.22Å
28S92.4Very high87.7Confident16 Ų1638.1 Ų38.111%0.11221%0.209CC..EExtended strand (participates in β ladder)trans-137.4119.9-177.4177.50000110.1H32 S33 G353 Y355 A356S28-H32 CarbonylContact C-O 3.57Å; S28-H32 WeakPolarHBondContact CA-O 3.2Å; S28-H32 PolarHBondContact OG-O 3.21Å; S28-S33 WeakPolarHBondContact CB-OG 3.36Å; S28-S33 PolarHBondContact OG-OG 2.94Å; S28-G353 WeakPolarHBondContact O-CA 3.46Å; S28-Y355 WeakPolarHBondContact OG-CB 3.36Å; S28-A356 WeakPolarHBondContact CB-O 3.45Å; S28-A356 PolarHBondContact OG-N 3.14Å; S28-A356 PolarHBondContact OG-O 3.32Å
29G89.8Confident89.1Confident5 Ų536.3 Ų36.35%0.05221%0.206CC..  trans-84.1-154175.100000111.3H32 C80 G81 A354 Y355G29-H32 PolarHBondContact N-O 2.98Å; G29-C80 VanDerWaalsContact N-CB 3.27Å; G29-G81 WeakPolarHBondContact CA-O 3.4Å; G29-A354 WeakPolarHBondContact O-CB 3.28Å; G29-A354 PolarHBondContact O-N 2.91Å; G29-Y355 PolarHBondContact O-N 3.08Å; G29-Y355 VanDerWaalsContact O-N 3.1Å
30E87.3Confident90.5Very high64 Ų6432.4 Ų32.430%0.29918%0.183SC..SBendtrans-69.8-42.7-176.7-166.4172.5-14600112.7K82E30-K82 HydrophobicContact CB-CG 3.88Å; E30-K82 WeakPolarHBondContact CB-O 3.5Å; E30-K82 HydrophobicContact CG-CG 4.41Å; E30-K82 PolarHBondContact N-O 3.41Å; E30-K82 WeakPolarHBondContact OE1-CE 3.36Å; E30-K82 WeakPolarHBondContact OE2-CE 3.47Å; E30-K82 WeakPolarHBondContact OE2-CG 3.48Å; E30-K82 IonicContact OE2-NZ 2.75Å
31R90.3Very high91.5Very high116 Ų11632.5 Ų32.544%0.43816%0.159SC..SBendtrans-136.415.8-176.1-56.4-168.3-61-158.7-2.2113.9G46 D47R31-G46 WeakPolarHBondContact O-CA 3.42Å; R31-D47 HydrophobicContact CB-CB 3.67Å; R31-D47 IonicContact CZ-OD2 3.91Å; R31-D47 IonicContact NE-OD2 2.67Å; R31-D47 PolarHBondContact NE-OD2 3.41Å; R31-D47 IonicContact NH2-OD2 3.09Å; R31-D47 PolarHBondContact NH2-OD2 3.08Å; R31-D47 WeakPolarHBondContact O-CB 3.4Å; R31-D47 PolarHBondContact O-N 3.15Å
32H93.5Very high92.2Very high0 Ų031 Ų310%015%0.152CC..EExtended strand (participates in β ladder)trans-145.4161.1-178.373.3-71.3000111.9S28 G29 C45 Q52 L53 S85S28-H32 CarbonylContact C-O 3.57Å; S28-H32 WeakPolarHBondContact CA-O 3.2Å; S28-H32 PolarHBondContact OG-O 3.21Å; G29-H32 PolarHBondContact N-O 2.98Å; H32-C45 CarbonylContact C-O 3.56Å; H32-C45 VanDerWaalsContact CA-O 3.3Å; H32-C45 WeakPolarHBondContact CA-O 3.41Å; H32-Q52 HydrophobicContact CB-CG 3.89Å; H32-L53 HydrophobicContact CB-CD2 3.77Å; H32-S85 PolarHBondContact CD2-OG 2.83Å; H32-S85 PolarHBondContact NE2-OG 2.86Å
33S94.3Very high92.5Very high0 Ų029.2 Ų29.20%014%0.142CC..EExtended strand (participates in β ladder)trans-136.7144.2176.2-66.60000111.8A27 S28 S44 C45A27-S33 CarbonylContact O-C 3.54Å; A27-S33 VanDerWaalsContact O-CA 3.28Å; A27-S33 WeakPolarHBondContact O-CA 3.46Å; S28-S33 WeakPolarHBondContact CB-OG 3.36Å; S28-S33 PolarHBondContact OG-OG 2.94Å; S33-S44 WeakPolarHBondContact O-CA 3.31Å; S33-C45 PolarHBondContact N-O 2.85Å; S33-C45 PolarHBondContact O-N 2.83Å; S33-C45 VanDerWaalsContact O-N 3.1Å
34L95.6Very high92.7Very high0 Ų029.1 Ų29.10%014%0.141CC..EExtended strand (participates in β ladder)trans-110.3132.4167.8-62.3-176.2000110.2A26 A27 V42 Y43 I67 V78 S85 W97A26-L34 CarbonylContact C-O 3.53Å; A26-L34 WeakPolarHBondContact CA-O 3.38Å; A27-L34 PolarHBondContact N-O 2.94Å; A27-L34 PolarHBondContact O-N 3.13Å; L34-V42 HydrophobicContact CB-CG1 4.27Å; L34-V42 HydrophobicContact CD2-CG1 4.23Å; L34-Y43 CarbonylContact C-O 3.55Å; L34-Y43 WeakPolarHBondContact CA-O 3.43Å; L34-I67 HydrophobicContact CD2-CD1 3.92Å; L34-V78 HydrophobicContact CB-CB 4.19Å; L34-V78 HydrophobicContact CB-CG1 4.45Å; L34-V78 HydrophobicContact CB-CG2 4.33Å; L34-V78 HydrophobicContact CD1-CB 4.12Å; L34-V78 HydrophobicContact CD1-CG1 4.33Å; L34-S85 WeakPolarHBondContact CD1-OG 3.32Å; L34-W97 HydrophobicContact CD1-CH2 4.14Å; L34-W97 HydrophobicContact CD1-CZ2 3.8Å; L34-W97 HydrophobicContact CD2-CZ2 4.02Å
35L94.6Very high92.9Very high2 Ų227 Ų271%0.0113%0.131CC..EExtended strand (participates in β ladder)trans-120.3116.3179.9-57.4-178.4000109.8L23 A26 F37 V42 Y43 P64 F358L23-L35 HydrophobicContact CD1-CB 3.75Å; L23-L35 HydrophobicContact CD1-CD2 4.02Å; L23-L35 HydrophobicContact CD1-CG 4.38Å; L23-L35 HydrophobicContact CD2-CD2 4.41Å; A26-L35 HydrophobicContact CB-CD2 3.74Å; L35-F37 HydrophobicContact CB-CE2 3.83Å; L35-F37 HydrophobicContact CB-CZ 4.33Å; L35-F37 HydrophobicContact CD1-CZ 4.47Å; L35-V42 CarbonylContact O-C 3.46Å; L35-V42 WeakPolarHBondContact O-CA 3.21Å; L35-Y43 PolarHBondContact N-O 3.21Å; L35-Y43 PolarHBondContact O-N 2.99Å; L35-P64 HydrophobicContact CD1-CB 3.93Å; L35-P64 HydrophobicContact CD1-CG 3.62Å; L35-F358 HydrophobicContact CD2-CD1 4.11Å; L35-F358 HydrophobicContact CD2-CE1 3.58Å; L35-F358 HydrophobicContact CD2-CE2 4.29Å; L35-F358 HydrophobicContact CD2-CZ 3.7Å
36L94.7Very high92.9Very high2 Ų225 Ų251%0.0112%0.122CC..EExtended strand (participates in β ladder)trans-98.5120.9176175.862.2000110L24 Q25 V42 I75 D76 V78L24-L36 HydrophobicContact CB-CG 4.42Å; L24-L36 PolarHBondContact N-O 3.41Å; Q25-L36 HydrophobicContact CB-CB 4.15Å; Q25-L36 HydrophobicContact CB-CD2 4.24Å; Q25-L36 PolarHBondContact N-O 3.16Å; Q25-L36 PolarHBondContact O-N 3.34Å; L36-V42 HydrophobicContact CD1-CG2 4.05Å; L36-I75 HydrophobicContact CD1-CB 3.99Å; L36-I75 HydrophobicContact CD1-CG2 4.03Å; L36-I75 WeakPolarHBondContact CD1-O 3.46Å; L36-I75 HydrophobicContact CD2-CG2 4.49Å; L36-D76 VanDerWaalsContact CD2-C 3.48Å; L36-D76 VanDerWaalsContact CD2-O 3.28Å; L36-D76 WeakPolarHBondContact CD2-O 3.25Å; L36-V78 HydrophobicContact CB-CG1 4.36Å; L36-V78 HydrophobicContact CB-CG2 4.2Å
37F92.4Very high92.7Very high2 Ų225.5 Ų25.51%0.00912%0.124CC..EExtended strand (participates in β ladder)trans-100.6166.9-179.4-71.2-86000113.1L21 E22 L23 L35 N39 H40 R41 Y43L21-F37 HydrophobicContact CB-CB 4.19Å; L21-F37 HydrophobicContact CB-CD1 3.94Å; L21-F37 HydrophobicContact CB-CG 4.37Å; L21-F37 HydrophobicContact CD1-CB 4.47Å; E22-F37 CarbonylContact O-C 3.58Å; E22-F37 WeakPolarHBondContact O-CA 3.37Å; L23-F37 HydrophobicContact CB-CD1 4.46Å; L23-F37 HydrophobicContact CB-CE1 4.29Å; L23-F37 HydrophobicContact CD1-CE1 4.27Å; L23-F37 HydrophobicContact CD1-CZ 4.3Å; L35-F37 HydrophobicContact CB-CE2 3.83Å; L35-F37 HydrophobicContact CB-CZ 4.33Å; L35-F37 HydrophobicContact CD1-CZ 4.47Å; F37-N39 WeakPolarHBondContact CB-OD1 3.31Å; F37-N39 PolarHBondContact O-N 3.03Å; F37-H40 PolarHBondContact O-N 3.09Å; F37-R41 PolarHBondContact N-O 2.97Å; F37-Y43 AromaticContact CD2-CD2 3.43Å; F37-Y43 HydrophobicContact CD2-CD2 3.43Å; F37-Y43 VanDerWaalsContact CD2-CD2 3.43Å; F37-Y43 AromaticContact CD2-CE2 3.81Å; F37-Y43 HydrophobicContact CD2-CE2 3.81Å; F37-Y43 HydrophobicContact CD2-CG 4.23Å; F37-Y43 AromaticContact CE2-CD2 3.57Å; F37-Y43 HydrophobicContact CE2-CD2 3.57Å; F37-Y43 HydrophobicContact CE2-CE2 4.16Å; F37-Y43 AromaticContact CE2-CG 3.9Å; F37-Y43 HydrophobicContact CE2-CG 3.9Å
38S91Very high92.6Very high50 Ų5024.9 Ų24.935%0.3512%0.12SC..THydrogen-bonded Turntrans-61.7-10.4-176.460.50000115.6E22 H40E22-S38 PolarHBondContact N-OG 3.41Å; E22-S38 VanDerWaalsContact N-OG 3.11Å; E22-S38 PolarHBondContact O-N 2.81Å; S38-H40 VanDerWaalsContact C-N 3.33Å
39N91.1Very high92.5Very high56 Ų5627 Ų2730%0.29913%0.134SC..THydrogen-bonded Turntrans-93.814.9171.565.1-10.2000113L21 F37 R41L21-N39 VanDerWaalsContact CD1-ND2 3.33Å; L21-N39 WeakPolarHBondContact CD1-ND2 3.5Å; L21-N39 HydrophobicContact CD2-CB 3.81Å; F37-N39 WeakPolarHBondContact CB-OD1 3.31Å; F37-N39 PolarHBondContact O-N 3.03Å; N39-R41 HydrophobicContact CB-CG 4.47Å; N39-R41 WeakPolarHBondContact ND2-CG 3.1Å; N39-R41 PolarHBondContact O-N 3.27Å; N39-R41 WeakPolarHBondContact OD1-CB 3.21Å; N39-R41 PolarHBondContact OD1-N 2.78Å
40H93.6Very high92.6Very high67 Ų6728.4 Ų28.431%0.3114%0.141SC..SBendtrans60.822.2-178.4-60-85000114.5F37 S38 D74 I75 D76F37-H40 PolarHBondContact O-N 3.09Å; S38-H40 VanDerWaalsContact C-N 3.33Å; H40-D74 HydrophobicContact CB-CB 3.87Å; H40-I75 WeakPolarHBondContact CB-O 3.35Å; H40-I75 PolarHBondContact ND1-O 2.88Å; H40-I75 PolarHBondContact O-N 3.28Å; H40-I75 VanDerWaalsContact O-N 3.08Å; H40-D76 IonicContact CE1-OD1 2.89Å; H40-D76 IonicContact ND1-OD1 3.5Å; H40-D76 PolarHBondContact ND1-OD1 2.87Å
41R94.8Very high92.9Very high79 Ų7925.4 Ų25.430%0.29813%0.126SC..  trans-101.2143.9176.1-57.5-56.2-173.5-152.6-1.4111.6F37 N39 Y43 G71 L73F37-R41 PolarHBondContact N-O 2.97Å; N39-R41 HydrophobicContact CB-CG 4.47Å; N39-R41 WeakPolarHBondContact ND2-CG 3.1Å; N39-R41 PolarHBondContact O-N 3.27Å; N39-R41 WeakPolarHBondContact OD1-CB 3.21Å; N39-R41 PolarHBondContact OD1-N 2.78Å; R41-Y43 HydrophobicContact CB-CE2 4.18Å; R41-G71 VanDerWaalsContact NH1-C 3.28Å; R41-G71 PolarHBondContact NH1-O 2.81Å; R41-G71 PolarHBondContact NH2-O 3.02Å; R41-L73 PolarHBondContact NH1-O 3.47Å
42V95.3Very high93Very high5 Ų519.9 Ų19.93%0.0311%0.106CC..EExtended strand (participates in β ladder)trans-105.6133.4-180-173.40000110.1L34 L35 L36 I67 L70 I75 V78L34-V42 HydrophobicContact CB-CG1 4.27Å; L34-V42 HydrophobicContact CD2-CG1 4.23Å; L35-V42 CarbonylContact O-C 3.46Å; L35-V42 WeakPolarHBondContact O-CA 3.21Å; L36-V42 HydrophobicContact CD1-CG2 4.05Å; V42-I67 HydrophobicContact CB-CD1 4.27Å; V42-I67 HydrophobicContact CG1-CD1 3.72Å; V42-I67 HydrophobicContact CG1-CG1 4.41Å; V42-I67 PolarHBondContact O-N 3.22Å; V42-L70 HydrophobicContact CB-CD1 4.44Å; V42-L70 HydrophobicContact CG2-CD1 4.36Å; V42-I75 HydrophobicContact CG2-CB 3.76Å; V42-I75 HydrophobicContact CG2-CG1 3.79Å; V42-I75 HydrophobicContact CG2-CG2 3.61Å; V42-V78 HydrophobicContact CG1-CG1 4.02Å; V42-V78 HydrophobicContact CG2-CG1 3.86Å
43Y93.9Very high93Very high31 Ų3119.9 Ų19.912%0.12211%0.106CC..EExtended strand (participates in β ladder)trans-115.6150171.7-69.7-112.6000109.6R18 L34 L35 F37 R41 E65 P66R18-Y43 VanDerWaalsContact NH1-CD1 3.34Å; L34-Y43 CarbonylContact C-O 3.55Å; L34-Y43 WeakPolarHBondContact CA-O 3.43Å; L35-Y43 PolarHBondContact N-O 3.21Å; L35-Y43 PolarHBondContact O-N 2.99Å; F37-Y43 AromaticContact CD2-CD2 3.43Å; F37-Y43 HydrophobicContact CD2-CD2 3.43Å; F37-Y43 VanDerWaalsContact CD2-CD2 3.43Å; F37-Y43 AromaticContact CD2-CE2 3.81Å; F37-Y43 HydrophobicContact CD2-CE2 3.81Å; F37-Y43 HydrophobicContact CD2-CG 4.23Å; F37-Y43 AromaticContact CE2-CD2 3.57Å; F37-Y43 HydrophobicContact CE2-CD2 3.57Å; F37-Y43 HydrophobicContact CE2-CE2 4.16Å; F37-Y43 AromaticContact CE2-CG 3.9Å; F37-Y43 HydrophobicContact CE2-CG 3.9Å; R41-Y43 HydrophobicContact CB-CE2 4.18Å; Y43-E65 CarbonylContact C-O 3.52Å; Y43-E65 WeakPolarHBondContact CA-O 3.44Å; Y43-P66 HydrophobicContact CD1-CB 4.06Å; Y43-P66 VanDerWaalsContact CD1-N 3.3Å; Y43-P66 HydrophobicContact CE1-CB 3.69Å; Y43-P66 HydrophobicContact CE1-CG 4.02Å; Y43-P66 HydrophobicContact CE2-CB 4.43Å
44S94.1Very high92.9Very high0 Ų020 Ų200%011%0.107CC..EExtended strand (participates in β ladder)trans-129.2146.9178.853.80000111.7S33 L53 P64 E65S33-S44 WeakPolarHBondContact O-CA 3.31Å; S44-L53 WeakPolarHBondContact CB-O 3.28Å; S44-L53 PolarHBondContact OG-O 2.82Å; S44-P64 WeakPolarHBondContact O-CA 3.05Å; S44-E65 PolarHBondContact N-O 3.15Å; S44-E65 PolarHBondContact O-N 3.05Å
45C92.4Very high92.6Very high11 Ų1121.2 Ų21.27%0.07411%0.112CC..EExtended strand (participates in β ladder)trans-149.4162170.456.60000111.5H32 S33 L53 T61 P64H32-C45 CarbonylContact C-O 3.56Å; H32-C45 VanDerWaalsContact CA-O 3.3Å; H32-C45 WeakPolarHBondContact CA-O 3.41Å; S33-C45 PolarHBondContact N-O 2.85Å; S33-C45 PolarHBondContact O-N 2.83Å; S33-C45 VanDerWaalsContact O-N 3.1Å; C45-L53 WeakPolarHBondContact O-CD2 3.13Å; C45-T61 CarbonylContact C-O 3.53Å; C45-T61 VanDerWaalsContact CA-O 3.27Å; C45-T61 WeakPolarHBondContact CA-O 3.2Å; C45-T61 WeakPolarHBondContact CB-O 3.13Å; C45-P64 HydrophobicContact CB-CG 4.36Å
46G91.4Very high91.8Very high2 Ų229.6 Ų29.62%0.02115%0.149CC..EExtended strand (participates in β ladder)trans112.9-145.4178.900000112.4R31 N60 T61R31-G46 WeakPolarHBondContact O-CA 3.42Å; G46-N60 WeakPolarHBondContact O-CA 3.46Å; G46-T61 PolarHBondContact N-O 3.04Å; G46-T61 PolarHBondContact O-N 2.96Å
47D90.4Very high91Very high15 Ų1537.9 Ų37.98%0.0818%0.18CC..  trans-74.1139.6177.717828.8000111.9R31 S49 Q52 L53 N60R31-D47 HydrophobicContact CB-CB 3.67Å; R31-D47 IonicContact CZ-OD2 3.91Å; R31-D47 IonicContact NE-OD2 2.67Å; R31-D47 PolarHBondContact NE-OD2 3.41Å; R31-D47 IonicContact NH2-OD2 3.09Å; R31-D47 PolarHBondContact NH2-OD2 3.08Å; R31-D47 WeakPolarHBondContact O-CB 3.4Å; R31-D47 PolarHBondContact O-N 3.15Å; D47-S49 WeakPolarHBondContact OD1-CB 3.23Å; D47-S49 PolarHBondContact OD1-N 3.33Å; D47-S49 PolarHBondContact OD1-OG 2.88Å; D47-S49 PolarHBondContact OD2-OG 3.45Å; D47-Q52 WeakPolarHBondContact O-CG 3.38Å; D47-Q52 PolarHBondContact O-NE2 3.05Å; D47-Q52 VanDerWaalsContact O-NE2 3.11Å; D47-Q52 PolarHBondContact OD2-NE2 3.3Å; D47-L53 WeakPolarHBondContact O-CD2 3.41Å; D47-L53 WeakPolarHBondContact O-CG 3.48Å; D47-N60 PolarHBondContact OD1-OD1 2.76Å
48N91.7Very high89.9Confident0 Ų044.8 Ų44.80%021%0.212CC..  trans-125.617.8175.2-155.330.4000113.8L50 G51 Q52 L53 R57 Q59 N60N48-L50 PolarHBondContact O-N 3.1Å; N48-G51 PolarHBondContact O-N 3.18Å; N48-G51 WeakPolarHBondContact OD1-CA 3.2Å; N48-G51 PolarHBondContact OD1-O 2.95Å; N48-Q52 PolarHBondContact OD1-N 3.13Å; N48-Q52 VanDerWaalsContact OD1-N 3.16Å; N48-L53 HydrophobicContact CB-CB 4.2Å; N48-L53 HydrophobicContact CB-CD1 3.64Å; N48-L53 HydrophobicContact CB-CG 3.62Å; N48-L53 VanDerWaalsContact OD1-CB 3.3Å; N48-L53 WeakPolarHBondContact OD1-CB 3.16Å; N48-L53 WeakPolarHBondContact OD1-CG 3.4Å; N48-L53 PolarHBondContact OD1-N 2.99Å; N48-R57 PolarHBondContact ND2-O 3.36Å; N48-Q59 WeakPolarHBondContact CB-O 3.4Å; N48-N60 PolarHBondContact N-OD1 2.72Å
49S90.4Very high89.3Confident59 Ų5948.4 Ų48.441%0.41322%0.223SC..THydrogen-bonded Turntrans-57.6-23.8-176.969.50000114.4D47D47-S49 WeakPolarHBondContact OD1-CB 3.23Å; D47-S49 PolarHBondContact OD1-N 3.33Å; D47-S49 PolarHBondContact OD1-OG 2.88Å; D47-S49 PolarHBondContact OD2-OG 3.45Å
50L92.1Very high89Confident36 Ų3650.3 Ų50.319%0.18823%0.234CC..THydrogen-bonded Turntrans-117.715179.5-59.8173.6000111.9N48 Q52 E83 G98 A99 I113N48-L50 PolarHBondContact O-N 3.1Å; L50-Q52 VanDerWaalsContact C-N 3.34Å; L50-Q52 VanDerWaalsContact C-OE1 3.23Å; L50-Q52 VanDerWaalsContact CA-OE1 3.28Å; L50-Q52 PolarHBondContact O-N 2.83Å; L50-E83 HydrophobicContact CD1-CB 3.71Å; L50-E83 HydrophobicContact CD1-CG 3.72Å; L50-E83 WeakPolarHBondContact CD1-OE1 3.3Å; L50-G98 CarbonylContact O-C 3.54Å; L50-G98 WeakPolarHBondContact O-CA 3.47Å; L50-A99 HydrophobicContact CB-CB 4.26Å; L50-A99 HydrophobicContact CD1-CB 4.07Å; L50-A99 PolarHBondContact O-N 2.99Å; L50-I113 HydrophobicContact CB-CG1 4.47Å; L50-I113 HydrophobicContact CD2-CD1 3.69Å; L50-I113 HydrophobicContact CD2-CG1 3.95Å; L50-I113 WeakPolarHBondContact O-CG2 3.12Å
51G92.4Very high88.4Confident0 Ų047.9 Ų47.90%022%0.224CC..SBendtrans79.19.1179.100000115.8N48 L53 G54 W97 L115N48-G51 PolarHBondContact O-N 3.18Å; N48-G51 WeakPolarHBondContact OD1-CA 3.2Å; N48-G51 PolarHBondContact OD1-O 2.95Å; G51-L53 PolarHBondContact O-N 3.2Å; G51-L53 VanDerWaalsContact O-N 3.1Å; G51-G54 PolarHBondContact O-N 2.61Å; G51-W97 VanDerWaalsContact O-CD1 3.31Å; G51-L115 VanDerWaalsContact CA-CD2 3.47Å
52Q93.6Very high87.7Confident1 Ų150.7 Ų50.71%0.00524%0.24CC..THydrogen-bonded Turntrans-63.5-14.3-173.362.7-91.743.800114.7H32 D47 N48 L50 E83 S85 W97H32-Q52 HydrophobicContact CB-CG 3.89Å; D47-Q52 WeakPolarHBondContact O-CG 3.38Å; D47-Q52 PolarHBondContact O-NE2 3.05Å; D47-Q52 VanDerWaalsContact O-NE2 3.11Å; D47-Q52 PolarHBondContact OD2-NE2 3.3Å; N48-Q52 PolarHBondContact OD1-N 3.13Å; N48-Q52 VanDerWaalsContact OD1-N 3.16Å; L50-Q52 VanDerWaalsContact C-N 3.34Å; L50-Q52 VanDerWaalsContact C-OE1 3.23Å; L50-Q52 VanDerWaalsContact CA-OE1 3.28Å; L50-Q52 PolarHBondContact O-N 2.83Å; Q52-E83 WeakPolarHBondContact CB-O 3.48Å; Q52-S85 PolarHBondContact O-OG 2.78Å; Q52-W97 PolarHBondContact O-NE1 2.8Å
53L93.9Very high87.2Confident0 Ų056.9 Ų56.90%027%0.269CS..THydrogen-bonded Turntrans-82.5-11.1173.7-54.9-169.7000113.6H32 S44 C45 D47 N48 G51 Q55 T61H32-L53 HydrophobicContact CB-CD2 3.77Å; S44-L53 WeakPolarHBondContact CB-O 3.28Å; S44-L53 PolarHBondContact OG-O 2.82Å; C45-L53 WeakPolarHBondContact O-CD2 3.13Å; D47-L53 WeakPolarHBondContact O-CD2 3.41Å; D47-L53 WeakPolarHBondContact O-CG 3.48Å; N48-L53 HydrophobicContact CB-CB 4.2Å; N48-L53 HydrophobicContact CB-CD1 3.64Å; N48-L53 HydrophobicContact CB-CG 3.62Å; N48-L53 VanDerWaalsContact OD1-CB 3.3Å; N48-L53 WeakPolarHBondContact OD1-CB 3.16Å; N48-L53 WeakPolarHBondContact OD1-CG 3.4Å; N48-L53 PolarHBondContact OD1-N 2.99Å; G51-L53 PolarHBondContact O-N 3.2Å; G51-L53 VanDerWaalsContact O-N 3.1Å; L53-Q55 VanDerWaalsContact C-N 3.33Å; L53-Q55 HydrophobicContact CB-CG 4.11Å; L53-T61 WeakPolarHBondContact CD1-OG1 3.49Å
54G92.3Very high86.9Confident2 Ų256.4 Ų56.42%0.02127%0.27CS..  trans71.629.4178.600000112.8G51 W97 L115 M116G51-G54 PolarHBondContact O-N 2.61Å; G54-W97 VanDerWaalsContact N-CD1 3.29Å; G54-L115 CarbonylContact C-O 3.55Å; G54-L115 VanDerWaalsContact C-O 3.29Å; G54-L115 WeakPolarHBondContact CA-O 3.47Å; G54-M116 WeakPolarHBondContact O-CE 3.19Å
55Q87.6Confident86.8Confident25 Ų2560.3 Ų60.312%0.11729%0.288CS..  trans-117.5149.5-176.6-57.3-169.27.700112L53 R57 E65 L115 M116L53-Q55 VanDerWaalsContact C-N 3.33Å; L53-Q55 HydrophobicContact CB-CG 4.11Å; Q55-R57 PolarHBondContact O-N 3.02Å; Q55-R57 VanDerWaalsContact O-N 3.11Å; Q55-E65 PolarHBondContact NE2-OE2 3.13Å; Q55-E65 PolarHBondContact OE1-OE2 2.79Å; Q55-L115 PolarHBondContact N-O 3.11Å; Q55-M116 WeakPolarHBondContact O-CE 3.12Å
56K78.5Confident86.8Confident179 Ų17962 Ų6278%0.77830%0.299SS*.SBendtrans-68.4-7.4-176.2-76.3-170.4177.1-177.40113.9M116K56-M116 HydrophobicContact CB-CE 4.49Å; K56-M116 HydrophobicContact CG-CE 3.96Å; K56-M116 HydrophobicContact CG-SD 3.58Å; K56-M116 VanDerWaalsContact CG-SD 3.58Å
57R78.6Confident86.9Confident176 Ų17662.2 Ų62.266%0.66430%0.299SS*.SBendtrans-116.6135.2-172.6-59.4178-179.1176.30.5109.3N48 Q55 Q59N48-R57 PolarHBondContact ND2-O 3.36Å; Q55-R57 PolarHBondContact O-N 3.02Å; Q55-R57 VanDerWaalsContact O-N 3.11Å; R57-Q59 PolarHBondContact O-N 3.13Å
58E69Low87Confident147 Ų14768.6 Ų68.669%0.68733%0.329SS*.  trans-79.642.5174.2-63.2176.4-178.500111.9L115E58-L115 HydrophobicContact CG-CD2 4.4Å
59Q78.6Confident87Confident125 Ų12571 Ų7158%0.58435%0.349SS*.  trans-108.6136.2177.2-79.9174.5-21.400110N48 R57N48-Q59 WeakPolarHBondContact CB-O 3.4Å; R57-Q59 PolarHBondContact O-N 3.13Å
60N83.9Confident87.2Confident96 Ų9668.4 Ų68.451%0.51333%0.33SS..  trans-73.8143.5173-62.9-8.3000109.5G46 D47 N48G46-N60 WeakPolarHBondContact O-CA 3.46Å; D47-N60 PolarHBondContact OD1-OD1 2.76Å; N48-N60 PolarHBondContact N-OD1 2.72Å
61T81.8Confident87.1Confident17 Ų1767.9 Ų67.910%0.10433%0.333CS..EExtended strand (participates in β ladder)trans-132.7110.9-178.858.70000110.4C45 G46 L53 Q63C45-T61 CarbonylContact C-O 3.53Å; C45-T61 VanDerWaalsContact CA-O 3.27Å; C45-T61 WeakPolarHBondContact CA-O 3.2Å; C45-T61 WeakPolarHBondContact CB-O 3.13Å; G46-T61 PolarHBondContact N-O 3.04Å; G46-T61 PolarHBondContact O-N 2.96Å; L53-T61 WeakPolarHBondContact CD1-OG1 3.49Å; T61-Q63 VanDerWaalsContact C-N 3.26Å; T61-Q63 PolarHBondContact O-N 2.96Å
62E79.9Confident87Confident137 Ų13774 Ų7464%0.6437%0.371SS*.EExtended strand (participates in β ladder)trans-71.5-24.2178-68-61.5155.900112.7Y355E62-Y355 PolarHBondContact OE2-OH 2.97Å; E62-Y355 VanDerWaalsContact OE2-OH 3.08Å
63Q84.3Confident87Confident136 Ų13675.1 Ų75.164%0.63638%0.377SS*.EExtended strand (participates in β ladder)trans-96.9137.7177.8-67.5-64.9-28.300110.6T61 E65T61-Q63 VanDerWaalsContact C-N 3.26Å; T61-Q63 PolarHBondContact O-N 2.96Å; Q63-E65 PolarHBondContact O-N 3.06Å
64P88.7Confident87.1Confident21 Ų2179.3 Ų79.314%0.13640%0.399CS..EExtended strand (participates in β ladder)trans-57.4130.5176.1-25.533.9000112.5R18 L35 S44 C45R18-P64 PolarHBondContact NH1-O 2.98Å; R18-P64 PolarHBondContact NH2-O 2.93Å; L35-P64 HydrophobicContact CD1-CB 3.93Å; L35-P64 HydrophobicContact CD1-CG 3.62Å; S44-P64 WeakPolarHBondContact O-CA 3.05Å; C45-P64 HydrophobicContact CB-CG 4.36Å
65E90.6Very high87.3Confident81 Ų8179.2 Ų79.238%0.37940%0.398SS..EExtended strand (participates in β ladder)trans-127.9145.6178.8-76.7-17417700111.9Y43 S44 Q55 Q63Y43-E65 CarbonylContact C-O 3.52Å; Y43-E65 WeakPolarHBondContact CA-O 3.44Å; S44-E65 PolarHBondContact N-O 3.15Å; S44-E65 PolarHBondContact O-N 3.05Å; Q55-E65 PolarHBondContact NE2-OE2 3.13Å; Q55-E65 PolarHBondContact OE1-OE2 2.79Å; Q63-E65 PolarHBondContact O-N 3.06Å
66P91.9Very high87.7Confident48 Ų4880.6 Ų80.631%0.31241%0.407SS..EExtended strand (participates in β ladder)trans-71.4134.1-174.327.9-32.9000112.3Y43 Q68Y43-P66 HydrophobicContact CD1-CB 4.06Å; Y43-P66 VanDerWaalsContact CD1-N 3.3Å; Y43-P66 HydrophobicContact CE1-CB 3.69Å; Y43-P66 HydrophobicContact CE1-CG 4.02Å; Y43-P66 HydrophobicContact CE2-CB 4.43Å; P66-Q68 PolarHBondContact O-N 2.93Å
67I94.2Very high88.5Confident5 Ų574 Ų743%0.02638%0.379CS..  trans-78.690.2173.9-55-177.1000109.3L34 V42 A69 L70 G71 W97 P117L34-I67 HydrophobicContact CD2-CD1 3.92Å; V42-I67 HydrophobicContact CB-CD1 4.27Å; V42-I67 HydrophobicContact CG1-CD1 3.72Å; V42-I67 HydrophobicContact CG1-CG1 4.41Å; V42-I67 PolarHBondContact O-N 3.22Å; I67-A69 HydrophobicContact CG2-CB 4.45Å; I67-A69 PolarHBondContact O-N 3.15Å; I67-A69 VanDerWaalsContact O-N 3.14Å; I67-L70 HydrophobicContact CB-CD1 4.43Å; I67-L70 HydrophobicContact CD1-CD1 4.46Å; I67-L70 HydrophobicContact CG2-CB 4.36Å; I67-L70 HydrophobicContact CG2-CD1 4.04Å; I67-L70 HydrophobicContact CG2-CG 3.95Å; I67-L70 PolarHBondContact O-N 3.2Å; I67-G71 PolarHBondContact O-N 3.15Å; I67-W97 HydrophobicContact CD1-CH2 4.3Å; I67-W97 HydrophobicContact CD1-CZ2 3.64Å; I67-P117 HydrophobicContact CG2-CG 3.87Å
68Q92.3Very high89.3Confident150 Ų15065.7 Ų65.770%0.70135%0.348SS*.G310 helixtrans-56.5-33.1-175.6-63.9-64-12.400113.5P66 L70 G71P66-Q68 PolarHBondContact O-N 2.93Å; Q68-L70 PolarHBondContact O-N 3.29Å; Q68-G71 PolarHBondContact O-N 3.2Å
69A92.8Very high90.6Very high51 Ų5159.3 Ų59.342%0.42132%0.32SS..G310 helixtrans-62.6-24178.100000113.7I67 M116 P117I67-A69 HydrophobicContact CG2-CB 4.45Å; I67-A69 PolarHBondContact O-N 3.15Å; I67-A69 VanDerWaalsContact O-N 3.14Å; A69-M116 HydrophobicContact CB-SD 4.33Å; A69-P117 HydrophobicContact CB-CG 4.08Å
70L94.5Very high91.5Very high4 Ų454 Ų542%0.02130%0.297CS..G310 helixtrans-97.9-0.8174.8-61.1176.9000112.5V42 I67 Q68 T72 L73 I75 A87 F95 W97 P117V42-L70 HydrophobicContact CB-CD1 4.44Å; V42-L70 HydrophobicContact CG2-CD1 4.36Å; I67-L70 HydrophobicContact CB-CD1 4.43Å; I67-L70 HydrophobicContact CD1-CD1 4.46Å; I67-L70 HydrophobicContact CG2-CB 4.36Å; I67-L70 HydrophobicContact CG2-CD1 4.04Å; I67-L70 HydrophobicContact CG2-CG 3.95Å; I67-L70 PolarHBondContact O-N 3.2Å; Q68-L70 PolarHBondContact O-N 3.29Å; L70-T72 PolarHBondContact O-N 2.91Å; L70-L73 HydrophobicContact CD2-CD1 3.97Å; L70-L73 WeakPolarHBondContact O-CB 3.35Å; L70-L73 PolarHBondContact O-N 2.97Å; L70-I75 HydrophobicContact CB-CG1 4.46Å; L70-I75 HydrophobicContact CD1-CG1 4.5Å; L70-I75 HydrophobicContact CD2-CD1 4.46Å; L70-A87 HydrophobicContact CD1-CB 4.05Å; L70-F95 HydrophobicContact CD2-CB 4.32Å; L70-F95 HydrophobicContact CD2-CD1 4.41Å; L70-F95 HydrophobicContact CD2-CG 4.21Å; L70-W97 HydrophobicContact CD1-CH2 3.81Å; L70-W97 HydrophobicContact CD1-CZ3 4.07Å; L70-P117 HydrophobicContact CD1-CG 4.27Å; L70-P117 HydrophobicContact CD2-CB 3.7Å; L70-P117 HydrophobicContact CD2-CG 4.13Å; L70-P117 HydrophobicContact CG-CB 4.1Å; L70-P117 HydrophobicContact CG-CG 3.94Å
71G89Confident92.1Very high25 Ų2549.7 Ų49.726%0.25827%0.274SS..THydrogen-bonded Turntrans-66.3-5.4-171.100000116R41 I67 Q68R41-G71 VanDerWaalsContact NH1-C 3.28Å; R41-G71 PolarHBondContact NH1-O 2.81Å; R41-G71 PolarHBondContact NH2-O 3.02Å; I67-G71 PolarHBondContact O-N 3.15Å; Q68-G71 PolarHBondContact O-N 3.2Å
72T91.1Very high92.6Very high129 Ų12950.9 Ų50.979%0.79128%0.278SS*.THydrogen-bonded Turntrans-105.2-0.3172.858.90000113L70L70-T72 PolarHBondContact O-N 2.91Å
73L94.4Very high93.4Very high24 Ų2446.1 Ų46.113%0.12626%0.256CS..SBendtrans-111.6140.9-176.9-58175.3000109.9R41 L70 I75 C89 F95R41-L73 PolarHBondContact NH1-O 3.47Å; L70-L73 HydrophobicContact CD2-CD1 3.97Å; L70-L73 WeakPolarHBondContact O-CB 3.35Å; L70-L73 PolarHBondContact O-N 2.97Å; L73-I75 HydrophobicContact CB-CD1 3.95Å; L73-I75 PolarHBondContact O-N 3.48Å; L73-C89 HydrophobicContact CB-CB 4.43Å; L73-F95 HydrophobicContact CD1-CD1 4.47Å; L73-F95 HydrophobicContact CD1-CD2 4.29Å; L73-F95 HydrophobicContact CD1-CE1 3.83Å; L73-F95 HydrophobicContact CD1-CE2 3.63Å; L73-F95 HydrophobicContact CD1-CZ 3.37Å
74D95.3Very high94Very high88 Ų8839.7 Ų39.747%0.47123%0.226SC..  trans-85.3109.3167.3-57.4-35.4000107.7H40 C89 H90H40-D74 HydrophobicContact CB-CB 3.87Å; D74-C89 CarbonylContact O-C 3.48Å; D74-C89 WeakPolarHBondContact O-CA 3.4Å; D74-C89 VanDerWaalsContact O-CB 3.29Å; D74-C89 WeakPolarHBondContact O-CB 3.32Å; D74-H90 HydrophobicContact CB-CB 4.31Å; D74-H90 PolarHBondContact O-N 2.89Å
75I96.9Very high94.4Very high0 Ų038.7 Ų38.70%022%0.219CC..EExtended strand (participates in β ladder)trans-88.9136.2178.1-56.1-55.1000110.3L36 H40 V42 L70 L73 L77 V78 A87 V88 C89L36-I75 HydrophobicContact CD1-CB 3.99Å; L36-I75 HydrophobicContact CD1-CG2 4.03Å; L36-I75 WeakPolarHBondContact CD1-O 3.46Å; L36-I75 HydrophobicContact CD2-CG2 4.49Å; H40-I75 WeakPolarHBondContact CB-O 3.35Å; H40-I75 PolarHBondContact ND1-O 2.88Å; H40-I75 PolarHBondContact O-N 3.28Å; H40-I75 VanDerWaalsContact O-N 3.08Å; V42-I75 HydrophobicContact CG2-CB 3.76Å; V42-I75 HydrophobicContact CG2-CG1 3.79Å; V42-I75 HydrophobicContact CG2-CG2 3.61Å; L70-I75 HydrophobicContact CB-CG1 4.46Å; L70-I75 HydrophobicContact CD1-CG1 4.5Å; L70-I75 HydrophobicContact CD2-CD1 4.46Å; L73-I75 HydrophobicContact CB-CD1 3.95Å; L73-I75 PolarHBondContact O-N 3.48Å; I75-L77 WeakPolarHBondContact CG2-O 3.34Å; I75-V78 HydrophobicContact CG2-CG1 4.18Å; I75-A87 HydrophobicContact CD1-CB 4.38Å; I75-A87 HydrophobicContact CG2-CB 4.05Å; I75-V88 WeakPolarHBondContact CG2-O 3.33Å; I75-C89 HydrophobicContact CD1-CB 3.86Å
76D94.5Very high94.8Very high54 Ų5434.8 Ų34.829%0.28920%0.201SC..EExtended strand (participates in β ladder)trans-112.3-28.8179.1-77.64.5000112.4L36 H40 V88 H90L36-D76 VanDerWaalsContact CD2-C 3.48Å; L36-D76 VanDerWaalsContact CD2-O 3.28Å; L36-D76 WeakPolarHBondContact CD2-O 3.25Å; H40-D76 IonicContact CE1-OD1 2.89Å; H40-D76 IonicContact ND1-OD1 3.5Å; H40-D76 PolarHBondContact ND1-OD1 2.87Å; D76-V88 PolarHBondContact N-O 3.29Å; D76-H90 IonicContact OD1-ND1 3.29Å; D76-H90 VanDerWaalsContact OD2-CA 3.25Å; D76-H90 WeakPolarHBondContact OD2-CA 3.35Å; D76-H90 IonicContact OD2-CE1 3.03Å; D76-H90 IonicContact OD2-CG 3.78Å; D76-H90 IonicContact OD2-ND1 2.62Å; D76-H90 PolarHBondContact OD2-ND1 3Å
77L95.4Very high95Very high39 Ų3932.5 Ų32.520%0.20419%0.186CC..EExtended strand (participates in β ladder)trans-138.3145.2-176.4-53.8166000111.7I75 A87 V88 I129I75-L77 WeakPolarHBondContact CG2-O 3.34Å; L77-A87 CarbonylContact O-C 3.43Å; L77-A87 VanDerWaalsContact O-CA 3.3Å; L77-A87 WeakPolarHBondContact O-CA 3.29Å; L77-V88 HydrophobicContact CB-CB 4.01Å; L77-V88 HydrophobicContact CB-CG2 4.17Å; L77-V88 HydrophobicContact CD1-CB 4.2Å; L77-V88 HydrophobicContact CD1-CG2 4.31Å; L77-V88 HydrophobicContact CG-CB 4.49Å; L77-V88 PolarHBondContact N-O 2.83Å; L77-V88 PolarHBondContact O-N 2.86Å; L77-I129 WeakPolarHBondContact CD1-O 3.41Å
78V96.9Very high95.2Very high2 Ų232.4 Ų32.41%0.01219%0.186CC..EExtended strand (participates in β ladder)trans-131.5148.4170.2-670000110.9Q25 A27 L34 L36 V42 I75 I86 A87Q25-V78 HydrophobicContact CB-CG2 4.34Å; Q25-V78 HydrophobicContact CG-CG2 4.1Å; Q25-V78 PolarHBondContact NE2-O 3.33Å; A27-V78 HydrophobicContact CB-CB 4.44Å; A27-V78 HydrophobicContact CB-CG2 4.03Å; L34-V78 HydrophobicContact CB-CB 4.19Å; L34-V78 HydrophobicContact CB-CG1 4.45Å; L34-V78 HydrophobicContact CB-CG2 4.33Å; L34-V78 HydrophobicContact CD1-CB 4.12Å; L34-V78 HydrophobicContact CD1-CG1 4.33Å; L36-V78 HydrophobicContact CB-CG1 4.36Å; L36-V78 HydrophobicContact CB-CG2 4.2Å; V42-V78 HydrophobicContact CG1-CG1 4.02Å; V42-V78 HydrophobicContact CG2-CG1 3.86Å; I75-V78 HydrophobicContact CG2-CG1 4.18Å; V78-I86 CarbonylContact C-O 3.35Å; V78-I86 WeakPolarHBondContact CA-O 3.39Å; V78-A87 HydrophobicContact CG1-CB 4.33Å
79S96.6Very high95.4Very high14 Ų1425.4 Ų25.410%0.09815%0.154CC..EExtended strand (participates in β ladder)trans-150141.3174-179.40000110.1I86 C133S79-I86 PolarHBondContact N-O 3.39Å; S79-I86 PolarHBondContact O-N 2.77Å; S79-C133 PolarHBondContact OG-N 2.86Å; S79-C133 VanDerWaalsContact OG-N 3.07Å; S79-C133 PolarHBondContact OG-SG 2.82Å
80C96.6Very high95.3Very high14 Ų1428.7 Ų28.710%0.09516%0.16CC..EExtended strand (participates in β ladder)trans-117.3131.8178.8-65.80000109.1A27 G29 C133A27-C80 HydrophobicContact CB-CB 4.22Å; G29-C80 VanDerWaalsContact N-CB 3.27Å; C80-C133 VanDerWaalsContact C-CB 3.41Å; C80-C133 WeakPolarHBondContact O-CB 3.36Å
81G95.3Very high95.2Very high4 Ų435.9 Ų35.94%0.04119%0.191CC..  trans-89.9-157.7161.600000110.6G29 H84 C133 G134G29-G81 WeakPolarHBondContact CA-O 3.4Å; G81-H84 PolarHBondContact N-O 3.08Å; G81-C133 VanDerWaalsContact CA-CB 3.47Å; G81-G134 WeakPolarHBondContact CA-O 3.3Å
82K93.9Very high95.5Very high43 Ų4334.8 Ų34.819%0.18718%0.18CC..SBendtrans-57.7-55.6179.8-166.9-179.7175.7174.30111E30 H135 Y136E30-K82 HydrophobicContact CB-CG 3.88Å; E30-K82 WeakPolarHBondContact CB-O 3.5Å; E30-K82 HydrophobicContact CG-CG 4.41Å; E30-K82 PolarHBondContact N-O 3.41Å; E30-K82 WeakPolarHBondContact OE1-CE 3.36Å; E30-K82 WeakPolarHBondContact OE2-CE 3.47Å; E30-K82 WeakPolarHBondContact OE2-CG 3.48Å; E30-K82 IonicContact OE2-NZ 2.75Å; K82-H135 HydrophobicContact CB-CB 4.04Å; K82-H135 VanDerWaalsContact CB-O 3.27Å; K82-H135 WeakPolarHBondContact CB-O 3.37Å; K82-H135 HydrophobicContact CD-CB 4.35Å; K82-H135 PolarHBondContact N-O 3.47Å; K82-Y136 HydrophobicContact CD-CE1 4.02Å; K82-Y136 HydrophobicContact CD-CE2 4.18Å; K82-Y136 VanDerWaalsContact CD-OH 3.29Å; K82-Y136 WeakPolarHBondContact CD-OH 3.27Å; K82-Y136 PolarHBondContact NZ-OH 3.42Å
83E95.4Very high95.8Very high37 Ų3732 Ų3217%0.17315%0.154CC..SBendtrans-13614.3-172.3-68.7159.2143.500112.4L50 Q52 A99L50-E83 HydrophobicContact CD1-CB 3.71Å; L50-E83 HydrophobicContact CD1-CG 3.72Å; L50-E83 WeakPolarHBondContact CD1-OE1 3.3Å; Q52-E83 WeakPolarHBondContact CB-O 3.48Å; E83-A99 HydrophobicContact CB-CB 3.78Å; E83-A99 PolarHBondContact O-N 3.11Å
84H97Very high95.9Very high0 Ų030.9 Ų30.90%015%0.149CC..EExtended strand (participates in β ladder)trans-130.2158.7176.773.5-74000111.3G81 W97 A99 Q104 L105 S138G81-H84 PolarHBondContact N-O 3.08Å; H84-W97 WeakPolarHBondContact CA-O 3.42Å; H84-A99 WeakPolarHBondContact CB-O 3.44Å; H84-Q104 HydrophobicContact CB-CG 4.03Å; H84-L105 HydrophobicContact CB-CD2 3.98Å; H84-S138 PolarHBondContact NE2-OG 3.4Å
85S97.8Very high96.1Very high0 Ų027.6 Ų27.60%013%0.131CC..EExtended strand (participates in β ladder)trans-132.9142.7-173.8-92.80000110.5H32 L34 Q52 A96 W97H32-S85 PolarHBondContact CD2-OG 2.83Å; H32-S85 PolarHBondContact NE2-OG 2.86Å; L34-S85 WeakPolarHBondContact CD1-OG 3.32Å; Q52-S85 PolarHBondContact O-OG 2.78Å; S85-A96 VanDerWaalsContact O-CA 3.3Å; S85-A96 WeakPolarHBondContact O-CA 3.37Å; S85-W97 VanDerWaalsContact CB-NE1 3.25Å; S85-W97 PolarHBondContact N-O 3.27Å; S85-W97 PolarHBondContact O-N 2.85Å
86I98.1Very high96.1Very high0 Ų027.6 Ų27.60%013%0.131CC..EExtended strand (participates in β ladder)trans-131.4138.6179-61.2-170.4000110.1V78 S79 V94 F95 A96 V131 S138 W150V78-I86 CarbonylContact C-O 3.35Å; V78-I86 WeakPolarHBondContact CA-O 3.39Å; S79-I86 PolarHBondContact N-O 3.39Å; S79-I86 PolarHBondContact O-N 2.77Å; I86-V94 HydrophobicContact CG2-CG1 3.53Å; I86-F95 CarbonylContact C-O 3.3Å; I86-F95 VanDerWaalsContact CA-O 3.3Å; I86-F95 WeakPolarHBondContact CA-O 2.86Å; I86-A96 HydrophobicContact CG1-CB 4.07Å; I86-V131 HydrophobicContact CG2-CB 4.34Å; I86-V131 HydrophobicContact CG2-CG1 4.18Å; I86-V131 HydrophobicContact CG2-CG2 4.18Å; I86-S138 WeakPolarHBondContact CD1-OG 3.45Å; I86-W150 HydrophobicContact CD1-CZ2 3.87Å
87A97.9Very high96.3Very high0 Ų025 Ų250%012%0.117CC..EExtended strand (participates in β ladder)trans-129.7146.5168.900000111.5L70 I75 L77 V78 F95 W97L70-A87 HydrophobicContact CD1-CB 4.05Å; I75-A87 HydrophobicContact CD1-CB 4.38Å; I75-A87 HydrophobicContact CG2-CB 4.05Å; L77-A87 CarbonylContact O-C 3.43Å; L77-A87 VanDerWaalsContact O-CA 3.3Å; L77-A87 WeakPolarHBondContact O-CA 3.29Å; V78-A87 HydrophobicContact CG1-CB 4.33Å; A87-F95 PolarHBondContact N-O 3.44Å; A87-F95 PolarHBondContact O-N 3.43Å; A87-W97 HydrophobicContact CB-CH2 3.75Å; A87-W97 HydrophobicContact CB-CZ3 3.84Å
88V97.3Very high96.3Very high2 Ų223.2 Ų23.21%0.01211%0.107CC..EExtended strand (participates in β ladder)trans-119.4125.9175.5-168.70000109.3I75 D76 L77 R93 V94 I128 V131I75-V88 WeakPolarHBondContact CG2-O 3.33Å; D76-V88 PolarHBondContact N-O 3.29Å; L77-V88 HydrophobicContact CB-CB 4.01Å; L77-V88 HydrophobicContact CB-CG2 4.17Å; L77-V88 HydrophobicContact CD1-CB 4.2Å; L77-V88 HydrophobicContact CD1-CG2 4.31Å; L77-V88 HydrophobicContact CG-CB 4.49Å; L77-V88 PolarHBondContact N-O 2.83Å; L77-V88 PolarHBondContact O-N 2.86Å; V88-R93 WeakPolarHBondContact CA-O 3.25Å; V88-V94 HydrophobicContact CG2-CG2 4.29Å; V88-I128 HydrophobicContact CG1-CB 4.23Å; V88-I128 HydrophobicContact CG1-CG2 4.42Å; V88-I128 HydrophobicContact CG2-CG2 4.34Å; V88-V131 HydrophobicContact CG2-CB 4.34Å; V88-V131 HydrophobicContact CG2-CG1 3.58Å; V88-V131 HydrophobicContact CG2-CG2 3.76Å
89C95.8Very high96.3Very high4 Ų423.3 Ų23.33%0.02711%0.108CC..EExtended strand (participates in β ladder)trans-82.6163.6176.590.60000111.9L73 D74 I75 K91 G92 R93 F95L73-C89 HydrophobicContact CB-CB 4.43Å; D74-C89 CarbonylContact O-C 3.48Å; D74-C89 WeakPolarHBondContact O-CA 3.4Å; D74-C89 VanDerWaalsContact O-CB 3.29Å; D74-C89 WeakPolarHBondContact O-CB 3.32Å; I75-C89 HydrophobicContact CD1-CB 3.86Å; C89-K91 PolarHBondContact O-N 3.39Å; C89-G92 WeakPolarHBondContact O-CA 3.46Å; C89-G92 PolarHBondContact O-N 3.04Å; C89-R93 PolarHBondContact N-O 3.42Å; C89-R93 PolarHBondContact SG-NE 3.07Å; C89-R93 VanDerWaalsContact SG-NE 3.4Å; C89-F95 HydrophobicContact CB-CE2 4.27Å
90H92.1Very high96.3Very high119 Ų11922.7 Ų22.755%0.55110%0.104SC*.THydrogen-bonded Turntrans-54.7-22.6-178.5-170.671.7000115.5D74 D76 G92D74-H90 HydrophobicContact CB-CB 4.31Å; D74-H90 PolarHBondContact O-N 2.89Å; D76-H90 IonicContact OD1-ND1 3.29Å; D76-H90 VanDerWaalsContact OD2-CA 3.25Å; D76-H90 WeakPolarHBondContact OD2-CA 3.35Å; D76-H90 IonicContact OD2-CE1 3.03Å; D76-H90 IonicContact OD2-CG 3.78Å; D76-H90 IonicContact OD2-ND1 2.62Å; D76-H90 PolarHBondContact OD2-ND1 3Å; H90-G92 PolarHBondContact O-N 3.01Å
91K92.3Very high96.2Very high156 Ų15625.1 Ų25.168%0.67812%0.121SC*.THydrogen-bonded Turntrans-82.85.9173.3-59.7-175.4178.7179.30113.6C89 R93C89-K91 PolarHBondContact O-N 3.39Å; K91-R93 VanDerWaalsContact C-N 3.33Å; K91-R93 HydrophobicContact CB-CG 4.47Å; K91-R93 PolarHBondContact O-N 2.93Å
92G94.6Very high96.3Very high2 Ų227.2 Ų27.22%0.02113%0.13CC..SBendtrans72.615.1-175.600000115.5C89 H90 I128C89-G92 WeakPolarHBondContact O-CA 3.46Å; C89-G92 PolarHBondContact O-N 3.04Å; H90-G92 PolarHBondContact O-N 3.01Å; G92-I128 PolarHBondContact O-N 2.77Å
93R96.9Very high96.4Very high69 Ų6925.1 Ų25.126%0.2612%0.121SC..  trans-83.5134.2179.2-60.5178.4-67.3171.6-0.1110.2V88 C89 K91 F95V88-R93 WeakPolarHBondContact CA-O 3.25Å; C89-R93 PolarHBondContact N-O 3.42Å; C89-R93 PolarHBondContact SG-NE 3.07Å; C89-R93 VanDerWaalsContact SG-NE 3.4Å; K91-R93 VanDerWaalsContact C-N 3.33Å; K91-R93 HydrophobicContact CB-CG 4.47Å; K91-R93 PolarHBondContact O-N 2.93Å; R93-F95 HydrophobicContact CB-CE2 3.92Å; R93-F95 HydrophobicContact CB-CZ 4.45Å
94V98Very high96.5Very high1 Ų123.4 Ų23.41%0.00611%0.113CC..EExtended strand (participates in β ladder)trans-99.2136.9-176.5-168.10000111.4I86 V88 R119 I120 L123 I128I86-V94 HydrophobicContact CG2-CG1 3.53Å; V88-V94 HydrophobicContact CG2-CG2 4.29Å; V94-R119 WeakPolarHBondContact O-CA 3.29Å; V94-I120 HydrophobicContact CB-CB 4.43Å; V94-I120 HydrophobicContact CB-CD1 4.2Å; V94-I120 HydrophobicContact CG1-CD1 3.73Å; V94-I120 HydrophobicContact CG1-CG1 4.45Å; V94-I120 PolarHBondContact O-N 3.47Å; V94-L123 HydrophobicContact CB-CD1 4.25Å; V94-L123 HydrophobicContact CG2-CD1 3.84Å; V94-I128 HydrophobicContact CG2-CB 3.88Å; V94-I128 HydrophobicContact CG2-CG1 3.57Å; V94-I128 HydrophobicContact CG2-CG2 4.12Å
95F97.9Very high96.5Very high20 Ų2023.5 Ų23.59%0.08811%0.113CC..EExtended strand (participates in β ladder)trans-126.5136.2176.2-60.9-98.9000109.5L70 L73 I86 A87 C89 R93 W97 P117 M118 R119L70-F95 HydrophobicContact CD2-CB 4.32Å; L70-F95 HydrophobicContact CD2-CD1 4.41Å; L70-F95 HydrophobicContact CD2-CG 4.21Å; L73-F95 HydrophobicContact CD1-CD1 4.47Å; L73-F95 HydrophobicContact CD1-CD2 4.29Å; L73-F95 HydrophobicContact CD1-CE1 3.83Å; L73-F95 HydrophobicContact CD1-CE2 3.63Å; L73-F95 HydrophobicContact CD1-CZ 3.37Å; I86-F95 CarbonylContact C-O 3.3Å; I86-F95 VanDerWaalsContact CA-O 3.3Å; I86-F95 WeakPolarHBondContact CA-O 2.86Å; A87-F95 PolarHBondContact N-O 3.44Å; A87-F95 PolarHBondContact O-N 3.43Å; C89-F95 HydrophobicContact CB-CE2 4.27Å; R93-F95 HydrophobicContact CB-CE2 3.92Å; R93-F95 HydrophobicContact CB-CZ 4.45Å; F95-W97 HydrophobicContact CB-CZ3 4.4Å; F95-P117 HydrophobicContact CB-CB 4.34Å; F95-M118 CarbonylContact C-O 3.4Å; F95-M118 VanDerWaalsContact CA-O 3.25Å; F95-M118 WeakPolarHBondContact CA-O 3.49Å; F95-R119 HydrophobicContact CD1-CB 3.9Å; F95-R119 HydrophobicContact CE1-CB 3.7Å; F95-R119 HydrophobicContact CE1-CG 4.19Å; F95-R119 HydrophobicContact CZ-CB 4.38Å; F95-R119 HydrophobicContact CZ-CG 4.39Å
96A97.9Very high96.5Very high0 Ų023.6 Ų23.60%011%0.114CC..EExtended strand (participates in β ladder)trans-134.3148.5-179.100000112.3S85 I86 L105 M118 I120S85-A96 VanDerWaalsContact O-CA 3.3Å; S85-A96 WeakPolarHBondContact O-CA 3.37Å; I86-A96 HydrophobicContact CG1-CB 4.07Å; A96-L105 HydrophobicContact CB-CB 4.31Å; A96-L105 HydrophobicContact CB-CD2 4.16Å; A96-L105 VanDerWaalsContact CB-O 3.3Å; A96-L105 WeakPolarHBondContact CB-O 3.31Å; A96-M118 PolarHBondContact N-O 2.85Å; A96-M118 PolarHBondContact O-N 3.47Å; A96-I120 HydrophobicContact CB-CD1 4.18Å; A96-I120 HydrophobicContact CB-CG1 4.41Å
97W97.5Very high96.4Very high0 Ų025 Ų250%012%0.121CC..EExtended strand (participates in β ladder)trans-157.717217862.892.2000111.2L34 G51 Q52 G54 I67 L70 H84 S85 A87 F95 L105 N114 P117L34-W97 HydrophobicContact CD1-CH2 4.14Å; L34-W97 HydrophobicContact CD1-CZ2 3.8Å; L34-W97 HydrophobicContact CD2-CZ2 4.02Å; G51-W97 VanDerWaalsContact O-CD1 3.31Å; Q52-W97 PolarHBondContact O-NE1 2.8Å; G54-W97 VanDerWaalsContact N-CD1 3.29Å; I67-W97 HydrophobicContact CD1-CH2 4.3Å; I67-W97 HydrophobicContact CD1-CZ2 3.64Å; L70-W97 HydrophobicContact CD1-CH2 3.81Å; L70-W97 HydrophobicContact CD1-CZ3 4.07Å; H84-W97 WeakPolarHBondContact CA-O 3.42Å; S85-W97 VanDerWaalsContact CB-NE1 3.25Å; S85-W97 PolarHBondContact N-O 3.27Å; S85-W97 PolarHBondContact O-N 2.85Å; A87-W97 HydrophobicContact CB-CH2 3.75Å; A87-W97 HydrophobicContact CB-CZ3 3.84Å; F95-W97 HydrophobicContact CB-CZ3 4.4Å; W97-L105 VanDerWaalsContact C-CD2 3.48Å; W97-L105 WeakPolarHBondContact O-CD2 3.29Å; W97-N114 WeakPolarHBondContact CB-O 3.42Å; W97-P117 HydrophobicContact CD2-CB 4.13Å; W97-P117 HydrophobicContact CD2-CG 3.77Å; W97-P117 HydrophobicContact CE3-CB 3.52Å; W97-P117 HydrophobicContact CE3-CG 3.62Å; W97-P117 HydrophobicContact CG-CG 4.26Å; W97-P117 HydrophobicContact CZ3-CB 3.95Å; W97-P117 HydrophobicContact CZ3-CG 4.04Å
98G96.4Very high96.3Very high0 Ų027.2 Ų27.20%014%0.144CC..EExtended strand (participates in β ladder)trans99.7-147.7-173.400000112.6L50 N114L50-G98 CarbonylContact O-C 3.54Å; L50-G98 WeakPolarHBondContact O-CA 3.47Å; G98-N114 PolarHBondContact N-O 2.83Å; G98-N114 PolarHBondContact O-N 2.87Å
99A96.6Very high96.1Very high4 Ų431.7 Ų31.73%0.03317%0.165CC..EExtended strand (participates in β ladder)trans-66.8139.7177.200000112.4L50 E83 H84 Q104 L105 E112L50-A99 HydrophobicContact CB-CB 4.26Å; L50-A99 HydrophobicContact CD1-CB 4.07Å; L50-A99 PolarHBondContact O-N 2.99Å; E83-A99 HydrophobicContact CB-CB 3.78Å; E83-A99 PolarHBondContact O-N 3.11Å; H84-A99 WeakPolarHBondContact CB-O 3.44Å; A99-Q104 VanDerWaalsContact O-CG 3.23Å; A99-Q104 WeakPolarHBondContact O-CG 3.36Å; A99-Q104 PolarHBondContact O-NE2 2.84Å; A99-L105 WeakPolarHBondContact O-CD2 3.1Å; A99-L105 WeakPolarHBondContact O-CG 3.37Å; A99-E112 CarbonylContact C-O 3.59Å; A99-E112 WeakPolarHBondContact CA-O 3.04Å
100G96.2Very high96.1Very high1 Ų137.1 Ų37.11%0.0119%0.188CC..  trans-143.18.9-176.200000116.2E102 G103 Q104 K111 E112G100-E102 PolarHBondContact O-N 3.36Å; G100-E102 VanDerWaalsContact O-N 3.15Å; G100-G103 WeakPolarHBondContact O-CA 3.17Å; G100-G103 PolarHBondContact O-N 2.7Å; G100-Q104 VanDerWaalsContact CA-OE1 3.28Å; G100-K111 CarbonylContact C-O 3.58Å; G100-K111 WeakPolarHBondContact CA-O 3.19Å; G100-E112 PolarHBondContact N-O 2.75Å
101S95.4Very high96.1Very high66 Ų6635.3 Ų35.346%0.46218%0.179SC..THydrogen-bonded Turntrans-57.4-27.2-178.651.40000114.3K111S101-K111 PolarHBondContact N-O 3.15Å
102E96.9Very high96.1Very high47 Ų4734.5 Ų34.522%0.2218%0.177CC..THydrogen-bonded Turntrans-97.23.3177.7-62-75.9-170.500112.2G100 Y136 G151 K152 S166G100-E102 PolarHBondContact O-N 3.36Å; G100-E102 VanDerWaalsContact O-N 3.15Å; E102-Y136 HydrophobicContact CG-CD1 4.35Å; E102-Y136 HydrophobicContact CG-CG 4.45Å; E102-G151 CarbonylContact O-C 3.38Å; E102-G151 WeakPolarHBondContact O-CA 3.39Å; E102-K152 HydrophobicContact CB-CB 4.07Å; E102-K152 HydrophobicContact CG-CB 4.4Å; E102-K152 HydrophobicContact CG-CD 4.33Å; E102-K152 PolarHBondContact O-N 2.92Å; E102-K152 IonicContact OE1-NZ 2.72Å; E102-K152 PolarHBondContact OE1-NZ 2.8Å; E102-S166 WeakPolarHBondContact O-CB 3.35Å; E102-S166 PolarHBondContact OE2-OG 2.87Å
103G97Very high96.1Very high0 Ų036.9 Ų36.90%019%0.189CC..SBendtrans84.15.8-177.600000114.6G100 L105 G106G100-G103 WeakPolarHBondContact O-CA 3.17Å; G100-G103 PolarHBondContact O-N 2.7Å; G103-L105 PolarHBondContact O-N 3.36Å; G103-G106 PolarHBondContact O-N 3Å
104Q97.5Very high96Very high1 Ų134.1 Ų34.11%0.00518%0.179CC..THydrogen-bonded Turntrans-61.8-13.7-174.565.9-90.149.100115.1H84 A99 G100 Y136 S138 W150H84-Q104 HydrophobicContact CB-CG 4.03Å; A99-Q104 VanDerWaalsContact O-CG 3.23Å; A99-Q104 WeakPolarHBondContact O-CG 3.36Å; A99-Q104 PolarHBondContact O-NE2 2.84Å; G100-Q104 VanDerWaalsContact CA-OE1 3.28Å; Q104-Y136 WeakPolarHBondContact CB-O 3.33Å; Q104-S138 PolarHBondContact O-OG 3.1Å; Q104-W150 VanDerWaalsContact O-CD1 3.29Å; Q104-W150 PolarHBondContact O-NE1 3.07Å
105L97.5Very high95.7Very high2 Ų236.2 Ų36.21%0.0119%0.19CC..THydrogen-bonded Turntrans-78-25.1172.2-59.3-176.9000113.2H84 A96 W97 A99 G103 I107 N114 I120H84-L105 HydrophobicContact CB-CD2 3.98Å; A96-L105 HydrophobicContact CB-CB 4.31Å; A96-L105 HydrophobicContact CB-CD2 4.16Å; A96-L105 VanDerWaalsContact CB-O 3.3Å; A96-L105 WeakPolarHBondContact CB-O 3.31Å; W97-L105 VanDerWaalsContact C-CD2 3.48Å; W97-L105 WeakPolarHBondContact O-CD2 3.29Å; A99-L105 WeakPolarHBondContact O-CD2 3.1Å; A99-L105 WeakPolarHBondContact O-CG 3.37Å; G103-L105 PolarHBondContact O-N 3.36Å; L105-I107 VanDerWaalsContact C-N 3.26Å; L105-I107 HydrophobicContact CB-CG1 4.15Å; L105-I107 HydrophobicContact CB-CG2 4.27Å; L105-I107 HydrophobicContact CD1-CD1 4.36Å; L105-I107 PolarHBondContact O-N 2.84Å; L105-N114 HydrophobicContact CD1-CB 3.63Å; L105-I120 VanDerWaalsContact O-CD1 3.27Å; L105-I120 WeakPolarHBondContact O-CD1 3.49Å; L105-I120 WeakPolarHBondContact O-CG1 3.49Å
106G97.1Very high95.4Very high1 Ų137.8 Ų37.81%0.0120%0.198CC..  trans70.816.3175.700000115.2G103 G108 I120 W150 A168 P170G103-G106 PolarHBondContact O-N 3Å; G106-G108 VanDerWaalsContact C-N 3.3Å; G106-G108 PolarHBondContact O-N 2.69Å; G106-I120 WeakPolarHBondContact O-CG2 3.49Å; G106-W150 VanDerWaalsContact N-CD1 3.29Å; G106-A168 CarbonylContact C-O 3.42Å; G106-A168 WeakPolarHBondContact CA-O 3.14Å; G106-P170 WeakPolarHBondContact O-CD 3.42Å
107I95.9Very high95.3Very high30 Ų3038.8 Ų38.815%0.15421%0.205CC..SBendtrans-84.22.3-172.356.3168.4000114.4L105 E109 K111 M118 A168L105-I107 VanDerWaalsContact C-N 3.26Å; L105-I107 HydrophobicContact CB-CG1 4.15Å; L105-I107 HydrophobicContact CB-CG2 4.27Å; L105-I107 HydrophobicContact CD1-CD1 4.36Å; L105-I107 PolarHBondContact O-N 2.84Å; I107-E109 HydrophobicContact CD1-CG 3.75Å; I107-E109 HydrophobicContact CG1-CG 3.82Å; I107-K111 HydrophobicContact CD1-CB 4.3Å; I107-K111 HydrophobicContact CD1-CD 4.46Å; I107-M118 HydrophobicContact CB-SD 3.92Å; I107-M118 HydrophobicContact CD1-SD 3.79Å; I107-M118 HydrophobicContact CG1-SD 4.46Å; I107-M118 HydrophobicContact CG2-CB 4.08Å; I107-M118 HydrophobicContact CG2-CG 3.95Å; I107-M118 HydrophobicContact CG2-SD 3.79Å; I107-A168 PolarHBondContact N-O 2.95Å
108G95.1Very high95.3Very high46 Ų4642 Ų4247%0.47422%0.221SC..SBendtrans95.4-1.1-179.900000115.2G106 A168 S169G106-G108 VanDerWaalsContact C-N 3.3Å; G106-G108 PolarHBondContact O-N 2.69Å; G108-A168 WeakPolarHBondContact CA-O 3.42Å; G108-A168 PolarHBondContact N-O 2.99Å; G108-S169 WeakPolarHBondContact CA-OG 3.41Å
109E94.1Very high95.3Very high97 Ų9746.9 Ų46.945%0.45324%0.24SC..SBendtrans-142.1152-178.655.7-179.4-167.600110.9I107 K111I107-E109 HydrophobicContact CD1-CG 3.75Å; I107-E109 HydrophobicContact CG1-CG 3.82Å; E109-K111 HydrophobicContact CG-CB 4.15Å; E109-K111 PolarHBondContact O-N 3.32Å; E109-K111 VanDerWaalsContact O-N 3.14Å
110F95.1Very high95.3Very high117 Ų11746.8 Ų46.851%0.51324%0.238SC..  trans-86.861.5174.3-66.1-82.4000110.4A168F110-A168 HydrophobicContact CD1-CB 4.08Å; F110-A168 HydrophobicContact CD2-CB 3.88Å; F110-A168 HydrophobicContact CE1-CB 3.89Å; F110-A168 HydrophobicContact CE2-CB 3.69Å; F110-A168 HydrophobicContact CG-CB 4.08Å; F110-A168 HydrophobicContact CZ-CB 3.7Å
111K92.4Very high95.3Very high81 Ų8155.2 Ų55.235%0.35228%0.275SS..  trans-78.8123.6178.9-171.4-178.8-175.9-174.90109.7G100 S101 I107 E109 I113 N114G100-K111 CarbonylContact C-O 3.58Å; G100-K111 WeakPolarHBondContact CA-O 3.19Å; S101-K111 PolarHBondContact N-O 3.15Å; I107-K111 HydrophobicContact CD1-CB 4.3Å; I107-K111 HydrophobicContact CD1-CD 4.46Å; E109-K111 HydrophobicContact CG-CB 4.15Å; E109-K111 PolarHBondContact O-N 3.32Å; E109-K111 VanDerWaalsContact O-N 3.14Å; K111-I113 WeakPolarHBondContact CE-O 3.42Å; K111-I113 PolarHBondContact O-N 2.79Å; K111-N114 HydrophobicContact CD-CB 4.31Å; K111-N114 PolarHBondContact NZ-OD1 3.08Å
112E92.6Very high95.3Very high139 Ų13955.5 Ų55.565%0.6527%0.274SS*.SBendtrans-56.3-49.7-175.4-168.3-179.7175.800112.8A99 G100A99-E112 CarbonylContact C-O 3.59Å; A99-E112 WeakPolarHBondContact CA-O 3.04Å; G100-E112 PolarHBondContact N-O 2.75Å
113I94.1Very high95.3Very high53 Ų5353.5 Ų53.527%0.27227%0.265SS..EExtended strand (participates in β ladder)trans-134.6136-178.7-67.9168.5000109.7L50 K111 L115L50-I113 HydrophobicContact CB-CG1 4.47Å; L50-I113 HydrophobicContact CD2-CD1 3.69Å; L50-I113 HydrophobicContact CD2-CG1 3.95Å; L50-I113 WeakPolarHBondContact O-CG2 3.12Å; K111-I113 WeakPolarHBondContact CE-O 3.42Å; K111-I113 PolarHBondContact O-N 2.79Å; I113-L115 HydrophobicContact CG2-CD2 3.8Å; I113-L115 HydrophobicContact CG2-CG 4.29Å
114N94.2Very high95.1Very high10 Ų1055.4 Ų55.45%0.05328%0.284CS..EExtended strand (participates in β ladder)trans-129.2104.1168-17033.3000111W97 G98 L105 K111 M116 M118W97-N114 WeakPolarHBondContact CB-O 3.42Å; G98-N114 PolarHBondContact N-O 2.83Å; G98-N114 PolarHBondContact O-N 2.87Å; L105-N114 HydrophobicContact CD1-CB 3.63Å; K111-N114 HydrophobicContact CD-CB 4.31Å; K111-N114 PolarHBondContact NZ-OD1 3.08Å; N114-M116 VanDerWaalsContact C-N 3.26Å; N114-M116 PolarHBondContact ND2-O 2.9Å; N114-M116 PolarHBondContact O-N 3.37Å; N114-M118 VanDerWaalsContact ND2-CB 3.34Å; N114-M118 WeakPolarHBondContact ND2-CB 3.42Å
115L92.8Very high94.7Very high46 Ų4659.5 Ų59.524%0.24133%0.326CS..EExtended strand (participates in β ladder)trans-66-25.9-175.3-59.3178.1000113.9G51 G54 Q55 E58 I113G51-L115 VanDerWaalsContact CA-CD2 3.47Å; G54-L115 CarbonylContact C-O 3.55Å; G54-L115 VanDerWaalsContact C-O 3.29Å; G54-L115 WeakPolarHBondContact CA-O 3.47Å; Q55-L115 PolarHBondContact N-O 3.11Å; E58-L115 HydrophobicContact CG-CD2 4.4Å; I113-L115 HydrophobicContact CG2-CD2 3.8Å; I113-L115 HydrophobicContact CG2-CG 4.29Å
116M92.3Very high94.6Very high52 Ų5261.5 Ų61.526%0.25634%0.337SS..EExtended strand (participates in β ladder)trans-114.8140.2-171.9-65.4-78.487.200112.4G54 Q55 K56 A69 N114 M118G54-M116 WeakPolarHBondContact O-CE 3.19Å; Q55-M116 WeakPolarHBondContact O-CE 3.12Å; K56-M116 HydrophobicContact CB-CE 4.49Å; K56-M116 HydrophobicContact CG-CE 3.96Å; K56-M116 HydrophobicContact CG-SD 3.58Å; K56-M116 VanDerWaalsContact CG-SD 3.58Å; A69-M116 HydrophobicContact CB-SD 4.33Å; N114-M116 VanDerWaalsContact C-N 3.26Å; N114-M116 PolarHBondContact ND2-O 2.9Å; N114-M116 PolarHBondContact O-N 3.37Å; M116-M118 PolarHBondContact O-N 3.31Å; M116-M118 VanDerWaalsContact O-N 3.08Å
117P95.8Very high94.5Very high21 Ų2165.9 Ų65.914%0.13636%0.356CS..EExtended strand (participates in β ladder)trans-50.1116.4172.3-26.533.4000112I67 A69 L70 F95 W97I67-P117 HydrophobicContact CG2-CG 3.87Å; A69-P117 HydrophobicContact CB-CG 4.08Å; L70-P117 HydrophobicContact CD1-CG 4.27Å; L70-P117 HydrophobicContact CD2-CB 3.7Å; L70-P117 HydrophobicContact CD2-CG 4.13Å; L70-P117 HydrophobicContact CG-CB 4.1Å; L70-P117 HydrophobicContact CG-CG 3.94Å; F95-P117 HydrophobicContact CB-CB 4.34Å; W97-P117 HydrophobicContact CD2-CB 4.13Å; W97-P117 HydrophobicContact CD2-CG 3.77Å; W97-P117 HydrophobicContact CE3-CB 3.52Å; W97-P117 HydrophobicContact CE3-CG 3.62Å; W97-P117 HydrophobicContact CG-CG 4.26Å; W97-P117 HydrophobicContact CZ3-CB 3.95Å; W97-P117 HydrophobicContact CZ3-CG 4.04Å
118M96.1Very high94.6Very high69 Ų6964.7 Ų64.734%0.3435%0.349SS..EExtended strand (participates in β ladder)trans-113.7134.5178.4-174.6176.1-65.200110.4F95 A96 I107 N114 M116 I120F95-M118 CarbonylContact C-O 3.4Å; F95-M118 VanDerWaalsContact CA-O 3.25Å; F95-M118 WeakPolarHBondContact CA-O 3.49Å; A96-M118 PolarHBondContact N-O 2.85Å; A96-M118 PolarHBondContact O-N 3.47Å; I107-M118 HydrophobicContact CB-SD 3.92Å; I107-M118 HydrophobicContact CD1-SD 3.79Å; I107-M118 HydrophobicContact CG1-SD 4.46Å; I107-M118 HydrophobicContact CG2-CB 4.08Å; I107-M118 HydrophobicContact CG2-CG 3.95Å; I107-M118 HydrophobicContact CG2-SD 3.79Å; N114-M118 VanDerWaalsContact ND2-CB 3.34Å; N114-M118 WeakPolarHBondContact ND2-CB 3.42Å; M116-M118 PolarHBondContact O-N 3.31Å; M116-M118 VanDerWaalsContact O-N 3.08Å; M118-I120 PolarHBondContact O-N 2.88Å
119R96.6Very high94.7Very high102 Ų10263.4 Ų63.439%0.38533%0.331SS..EExtended strand (participates in β ladder)trans-70.4128.7178.2-176.1178.9172.1-173.4-3.2110.7V94 F95 K121V94-R119 WeakPolarHBondContact O-CA 3.29Å; F95-R119 HydrophobicContact CD1-CB 3.9Å; F95-R119 HydrophobicContact CE1-CB 3.7Å; F95-R119 HydrophobicContact CE1-CG 4.19Å; F95-R119 HydrophobicContact CZ-CB 4.38Å; F95-R119 HydrophobicContact CZ-CG 4.39Å; R119-K121 PolarHBondContact O-N 3.06Å
120I97.4Very high94.8Very high1 Ų159.9 Ų59.91%0.00532%0.315CS..  trans-74.5105.2170.3-61-177.6000108.5V94 A96 L105 G106 M118 T122 L123 W150 P170V94-I120 HydrophobicContact CB-CB 4.43Å; V94-I120 HydrophobicContact CB-CD1 4.2Å; V94-I120 HydrophobicContact CG1-CD1 3.73Å; V94-I120 HydrophobicContact CG1-CG1 4.45Å; V94-I120 PolarHBondContact O-N 3.47Å; A96-I120 HydrophobicContact CB-CD1 4.18Å; A96-I120 HydrophobicContact CB-CG1 4.41Å; L105-I120 VanDerWaalsContact O-CD1 3.27Å; L105-I120 WeakPolarHBondContact O-CD1 3.49Å; L105-I120 WeakPolarHBondContact O-CG1 3.49Å; G106-I120 WeakPolarHBondContact O-CG2 3.49Å; M118-I120 PolarHBondContact O-N 2.88Å; I120-T122 WeakPolarHBondContact CG2-OG1 3.11Å; I120-L123 HydrophobicContact CG2-CB 4.26Å; I120-L123 HydrophobicContact CG2-CD1 3.95Å; I120-L123 HydrophobicContact CG2-CG 3.9Å; I120-W150 HydrophobicContact CD1-CH2 4.4Å; I120-W150 HydrophobicContact CD1-CZ2 3.68Å; I120-P170 HydrophobicContact CG2-CG 3.57Å
121K95.8Very high94.9Very high178 Ų17855 Ų5577%0.77429%0.294SS*.SBendtrans-74.7-29.8-173.5-65.8-179.6-175.31720113.2R119 L123 G124R119-K121 PolarHBondContact O-N 3.06Å; K121-L123 VanDerWaalsContact C-N 3.27Å; K121-L123 PolarHBondContact O-N 3.04Å; K121-G124 WeakPolarHBondContact O-CA 3.49Å; K121-G124 PolarHBondContact O-N 2.91Å
122T95.8Very high95.1Very high73 Ų7352.1 Ų52.145%0.44829%0.285SS..THydrogen-bonded Turntrans-65.6-26.6-179.247.50000113.3I120 G124 P170I120-T122 WeakPolarHBondContact CG2-OG1 3.11Å; T122-G124 PolarHBondContact O-N 3.11Å; T122-P170 WeakPolarHBondContact OG1-CD 3.48Å; T122-P170 WeakPolarHBondContact OG1-CG 3.06Å
123L96.1Very high95.3Very high5 Ų546 Ų463%0.02626%0.258CS..THydrogen-bonded Turntrans-86.116.9170.9-61.1175.1000112.6V94 I120 K121 G125 I126 I128 F148 W150 P170V94-L123 HydrophobicContact CB-CD1 4.25Å; V94-L123 HydrophobicContact CG2-CD1 3.84Å; I120-L123 HydrophobicContact CG2-CB 4.26Å; I120-L123 HydrophobicContact CG2-CD1 3.95Å; I120-L123 HydrophobicContact CG2-CG 3.9Å; K121-L123 VanDerWaalsContact C-N 3.27Å; K121-L123 PolarHBondContact O-N 3.04Å; L123-G125 PolarHBondContact O-N 2.78Å; L123-I126 PolarHBondContact O-N 2.58Å; L123-I128 HydrophobicContact CD1-CG1 4.34Å; L123-F148 HydrophobicContact CD2-CB 4.14Å; L123-F148 HydrophobicContact CD2-CD1 3.84Å; L123-F148 HydrophobicContact CD2-CD2 3.97Å; L123-F148 HydrophobicContact CD2-CE1 4.25Å; L123-F148 HydrophobicContact CD2-CE2 4.38Å; L123-F148 HydrophobicContact CD2-CG 3.7Å; L123-W150 HydrophobicContact CD1-CH2 4.13Å; L123-W150 HydrophobicContact CD1-CZ3 4.25Å; L123-P170 HydrophobicContact CD1-CB 4.3Å; L123-P170 HydrophobicContact CD1-CG 3.97Å; L123-P170 HydrophobicContact CD2-CB 3.78Å; L123-P170 HydrophobicContact CD2-CG 4.24Å; L123-P170 HydrophobicContact CG-CB 3.98Å; L123-P170 HydrophobicContact CG-CG 3.86Å
124G93Very high95.5Very high39 Ų3943.7 Ų43.740%0.40225%0.246SC..THydrogen-bonded Turntrans-63.9129.1179.100000112.2K121 T122 I126K121-G124 WeakPolarHBondContact O-CA 3.49Å; K121-G124 PolarHBondContact O-N 2.91Å; T122-G124 PolarHBondContact O-N 3.11Å; G124-I126 VanDerWaalsContact C-N 3.26Å; G124-I126 PolarHBondContact O-N 3.37Å
125G89.6Confident95.5Very high87 Ų8744.2 Ų44.290%0.89725%0.248SC*.THydrogen-bonded Turntrans86.3-9.4179.800000114.4L123L123-G125 PolarHBondContact O-N 2.78Å
126I94.4Very high95.7Very high44 Ų4444.7 Ų44.723%0.22625%0.247CC..  trans-98.8127.8176.7-55.8171.1000108.2L123 G124 I128 S142 F148L123-I126 PolarHBondContact O-N 2.58Å; G124-I126 VanDerWaalsContact C-N 3.26Å; G124-I126 PolarHBondContact O-N 3.37Å; I126-I128 HydrophobicContact CG2-CD1 3.88Å; I126-I128 PolarHBondContact O-N 3.44Å; I126-S142 VanDerWaalsContact CG2-CB 3.48Å; I126-F148 HydrophobicContact CD1-CE1 4.21Å; I126-F148 HydrophobicContact CD1-CE2 4.12Å; I126-F148 HydrophobicContact CD1-CZ 3.59Å; I126-F148 HydrophobicContact CG2-CE2 4.21Å
127K95.6Very high96Very high94 Ų9442.2 Ų42.241%0.40924%0.235SC..  trans-87.4106.2177-175.8170.3162.5-150.90109.4S142 E143K127-S142 CarbonylContact O-C 3.57Å; K127-S142 WeakPolarHBondContact O-CA 3.32Å; K127-E143 HydrophobicContact CB-CB 4.33Å; K127-E143 WeakPolarHBondContact CD-OE2 3.12Å; K127-E143 HydrophobicContact CG-CB 4.5Å; K127-E143 IonicContact NZ-OE1 2.71Å; K127-E143 PolarHBondContact NZ-OE1 3.18Å; K127-E143 IonicContact NZ-OE2 3.56Å; K127-E143 PolarHBondContact NZ-OE2 3.01Å; K127-E143 PolarHBondContact O-N 2.92Å
128I97.6Very high96.2Very high4 Ų441.2 Ų41.22%0.02123%0.229CC..EExtended strand (participates in β ladder)trans-79.9131.5175.6-58.6-53000110.3V88 G92 V94 L123 I126 Q130 V131 A140 F148V88-I128 HydrophobicContact CG1-CB 4.23Å; V88-I128 HydrophobicContact CG1-CG2 4.42Å; V88-I128 HydrophobicContact CG2-CG2 4.34Å; G92-I128 PolarHBondContact O-N 2.77Å; V94-I128 HydrophobicContact CG2-CB 3.88Å; V94-I128 HydrophobicContact CG2-CG1 3.57Å; V94-I128 HydrophobicContact CG2-CG2 4.12Å; L123-I128 HydrophobicContact CD1-CG1 4.34Å; I126-I128 HydrophobicContact CG2-CD1 3.88Å; I126-I128 PolarHBondContact O-N 3.44Å; I128-Q130 VanDerWaalsContact CG2-O 3.28Å; I128-Q130 WeakPolarHBondContact CG2-O 3.38Å; I128-V131 HydrophobicContact CG2-CG1 3.84Å; I128-A140 HydrophobicContact CD1-CB 4.09Å; I128-A140 HydrophobicContact CG1-CB 4.46Å; I128-A140 HydrophobicContact CG2-CB 3.94Å; I128-F148 HydrophobicContact CD1-CD2 4.49Å
129I96.4Very high96.3Very high19 Ų1938 Ų3810%0.09721%0.212CC..EExtended strand (participates in β ladder)trans-113.9-13.7-178.562.6164.9000113L77 L141 E143 P376 I378L77-I129 WeakPolarHBondContact CD1-O 3.41Å; I129-L141 HydrophobicContact CD1-CD2 4.34Å; I129-L141 HydrophobicContact CD1-CG 4.37Å; I129-L141 HydrophobicContact CG1-CG 4.26Å; I129-L141 WeakPolarHBondContact CG1-O 3.33Å; I129-L141 PolarHBondContact N-O 2.94Å; I129-E143 HydrophobicContact CG2-CB 3.7Å; I129-E143 HydrophobicContact CG2-CG 4.07Å; I129-P376 HydrophobicContact CB-CB 4.17Å; I129-P376 HydrophobicContact CD1-CB 4.3Å; I129-P376 HydrophobicContact CG1-CB 4.42Å; I129-P376 VanDerWaalsContact O-CB 3.25Å; I129-P376 WeakPolarHBondContact O-CB 3.28Å; I129-P376 VanDerWaalsContact O-CG 3.28Å; I129-P376 WeakPolarHBondContact O-CG 3.45Å; I129-I378 HydrophobicContact CD1-CG2 3.98Å
130Q96.8Very high96.4Very high23 Ų2333.1 Ų33.111%0.10719%0.194CC..EExtended strand (participates in β ladder)trans-149.5144.5174.2-154.4-164.9-15.100110.3I128 A140 L141 V184 P376I128-Q130 VanDerWaalsContact CG2-O 3.28Å; I128-Q130 WeakPolarHBondContact CG2-O 3.38Å; Q130-A140 CarbonylContact O-C 3.58Å; Q130-A140 VanDerWaalsContact O-CA 3.31Å; Q130-A140 WeakPolarHBondContact O-CA 3.12Å; Q130-L141 HydrophobicContact CB-CB 3.96Å; Q130-L141 PolarHBondContact N-O 3.12Å; Q130-L141 PolarHBondContact O-N 3.23Å; Q130-V184 HydrophobicContact CG-CG2 4.49Å; Q130-V184 PolarHBondContact NE2-O 3.01Å; Q130-P376 HydrophobicContact CB-CG 3.88Å; Q130-P376 HydrophobicContact CG-CG 3.89Å
131V97.3Very high96.4Very high14 Ų1433 Ų339%0.08519%0.194CC..EExtended strand (participates in β ladder)trans-131148.6167.1-72.10000109.4I86 V88 I128 L139 A140I86-V131 HydrophobicContact CG2-CB 4.34Å; I86-V131 HydrophobicContact CG2-CG1 4.18Å; I86-V131 HydrophobicContact CG2-CG2 4.18Å; V88-V131 HydrophobicContact CG2-CB 4.34Å; V88-V131 HydrophobicContact CG2-CG1 3.58Å; V88-V131 HydrophobicContact CG2-CG2 3.76Å; I128-V131 HydrophobicContact CG2-CG1 3.84Å; V131-L139 VanDerWaalsContact CA-O 3.28Å; V131-L139 WeakPolarHBondContact CA-O 3.34Å; V131-A140 HydrophobicContact CG1-CB 4.13Å
132S97.1Very high96.5Very high21 Ų2124.6 Ų24.615%0.14716%0.157CC..EExtended strand (participates in β ladder)trans-145.5128.3173.1-173.70000109.1L139 A186S132-L139 PolarHBondContact N-O 3.13Å; S132-L139 PolarHBondContact O-N 2.84Å; S132-A186 PolarHBondContact OG-N 3.11Å
133C97.4Very high96.4Very high12 Ų1223.1 Ų23.18%0.08115%0.145CC..EExtended strand (participates in β ladder)trans-105131.2-178.9-61.70000109.9S79 C80 G81S79-C133 PolarHBondContact OG-N 2.86Å; S79-C133 VanDerWaalsContact OG-N 3.07Å; S79-C133 PolarHBondContact OG-SG 2.82Å; C80-C133 VanDerWaalsContact C-CB 3.41Å; C80-C133 WeakPolarHBondContact O-CB 3.36Å; G81-C133 VanDerWaalsContact CA-CB 3.47Å
134G96.6Very high96.3Very high3 Ų324.4 Ų24.43%0.03115%0.152CC..  trans-88.4-160.8163.600000111G81 H137 G187G81-G134 WeakPolarHBondContact CA-O 3.3Å; G134-H137 PolarHBondContact N-O 3.07Å; G134-G187 WeakPolarHBondContact CA-O 3.49Å
135H95.4Very high96.4Very high22 Ų2222.8 Ų22.810%0.10214%0.135CC..SBendtrans-64.8-51.3178.9-79.4-165.5000112.4K82 G188 Y244K82-H135 HydrophobicContact CB-CB 4.04Å; K82-H135 VanDerWaalsContact CB-O 3.27Å; K82-H135 WeakPolarHBondContact CB-O 3.37Å; K82-H135 HydrophobicContact CD-CB 4.35Å; K82-H135 PolarHBondContact N-O 3.47Å; H135-G188 WeakPolarHBondContact CB-O 3.44Å; H135-G188 PolarHBondContact N-O 2.9Å; H135-Y244 AromaticContact CE1-CD2 2.94Å; H135-Y244 WeakPolarHBondContact CE1-CD2 3.3Å; H135-Y244 AromaticContact CE1-CE2 3.14Å; H135-Y244 WeakPolarHBondContact CE1-CE2 3.29Å; H135-Y244 AromaticContact CE1-CG 3.64Å; H135-Y244 AromaticContact CE1-CZ 3.91Å; H135-Y244 AromaticContact ND1-CD2 3.55Å; H135-Y244 AromaticContact ND1-CE2 3.38Å; H135-Y244 WeakPolarHBondContact ND1-CE2 3.48Å; H135-Y244 AromaticContact NE2-CD2 3.42Å; H135-Y244 WeakPolarHBondContact NE2-CD2 3.43Å; H135-Y244 AromaticContact NE2-CG 3.95Å
136Y97.3Very high96.7Very high56 Ų5620.9 Ų20.922%0.2210%0.103CC..SBendtrans-130.317.8-172.7-58.3-68.2000112.1K82 E102 Q104 G151 K152K82-Y136 HydrophobicContact CD-CE1 4.02Å; K82-Y136 HydrophobicContact CD-CE2 4.18Å; K82-Y136 VanDerWaalsContact CD-OH 3.29Å; K82-Y136 WeakPolarHBondContact CD-OH 3.27Å; K82-Y136 PolarHBondContact NZ-OH 3.42Å; E102-Y136 HydrophobicContact CG-CD1 4.35Å; E102-Y136 HydrophobicContact CG-CG 4.45Å; Q104-Y136 WeakPolarHBondContact CB-O 3.33Å; Y136-G151 CarbonylContact O-C 3.44Å; Y136-G151 WeakPolarHBondContact O-CA 3.2Å; Y136-K152 HydrophobicContact CD2-CD 4.15Å; Y136-K152 HydrophobicContact CG-CD 4.29Å; Y136-K152 WeakPolarHBondContact O-CB 3.4Å; Y136-K152 PolarHBondContact O-N 3.18Å
137H98.4Very high96.9Very high0 Ų019 Ų190%09%0.093CC..EExtended strand (participates in β ladder)trans-143.5165.3177.173.3-71000111.1G134 W150 Q157 L158 G187 S191G134-H137 PolarHBondContact N-O 3.07Å; H137-W150 CarbonylContact C-O 3.04Å; H137-W150 VanDerWaalsContact CA-O 3.24Å; H137-W150 WeakPolarHBondContact CA-O 3.39Å; H137-W150 WeakPolarHBondContact CB-O 3.15Å; H137-Q157 HydrophobicContact CB-CG 4.24Å; H137-L158 HydrophobicContact CB-CD2 3.64Å; H137-G187 PolarHBondContact CE1-O 3.15Å; H137-S191 PolarHBondContact NE2-OG 3.47Å
138S98.5Very high97Very high0 Ų015.3 Ų15.30%08%0.077CC..EExtended strand (participates in β ladder)trans-138.4142.6-176.4-590000109.6H84 I86 Q104 S149 W150H84-S138 PolarHBondContact NE2-OG 3.4Å; I86-S138 WeakPolarHBondContact CD1-OG 3.45Å; Q104-S138 PolarHBondContact O-OG 3.1Å; S138-S149 WeakPolarHBondContact O-CA 3.29Å; S138-W150 VanDerWaalsContact CB-CZ2 3.49Å; S138-W150 PolarHBondContact N-O 2.75Å; S138-W150 PolarHBondContact O-N 2.81Å; S138-W150 VanDerWaalsContact O-N 3.1Å
139L98.6Very high97Very high0 Ų015.1 Ų15.10%08%0.076CC..EExtended strand (participates in β ladder)trans-119.1146.5174.7-56.8178.8000109.8V131 S132 F148 V184 A186 W203V131-L139 VanDerWaalsContact CA-O 3.28Å; V131-L139 WeakPolarHBondContact CA-O 3.34Å; S132-L139 PolarHBondContact N-O 3.13Å; S132-L139 PolarHBondContact O-N 2.84Å; L139-F148 CarbonylContact C-O 3.55Å; L139-F148 VanDerWaalsContact CA-O 3.31Å; L139-F148 WeakPolarHBondContact CA-O 3.22Å; L139-V184 HydrophobicContact CB-CB 4.38Å; L139-V184 HydrophobicContact CB-CG2 4.21Å; L139-V184 HydrophobicContact CD1-CB 4.28Å; L139-A186 HydrophobicContact CD1-CB 3.95Å; L139-A186 HydrophobicContact CG-CB 4.22Å; L139-W203 HydrophobicContact CD1-CZ2 4.27Å; L139-W203 HydrophobicContact CD2-CZ2 4.35Å
140A98.3Very high97.2Very high0 Ų014.2 Ų14.20%07%0.072CC..EExtended strand (participates in β ladder)trans-135.8140.1170.100000111.1I128 Q130 V131 V147 F148 W150I128-A140 HydrophobicContact CD1-CB 4.09Å; I128-A140 HydrophobicContact CG1-CB 4.46Å; I128-A140 HydrophobicContact CG2-CB 3.94Å; Q130-A140 CarbonylContact O-C 3.58Å; Q130-A140 VanDerWaalsContact O-CA 3.31Å; Q130-A140 WeakPolarHBondContact O-CA 3.12Å; V131-A140 HydrophobicContact CG1-CB 4.13Å; A140-V147 CarbonylContact O-C 3.59Å; A140-V147 WeakPolarHBondContact O-CA 3.35Å; A140-F148 HydrophobicContact CB-CB 4.45Å; A140-F148 PolarHBondContact N-O 2.86Å; A140-F148 PolarHBondContact O-N 2.49Å; A140-W150 HydrophobicContact CB-CH2 3.86Å; A140-W150 HydrophobicContact CB-CZ3 3.83Å
141L98.2Very high97.2Very high0 Ų013.1 Ų13.10%07%0.066CC..EExtended strand (participates in β ladder)trans-111.5127.6171.6178.864.2000108.9I129 Q130 Q146 V147 L181 V184 I378I129-L141 HydrophobicContact CD1-CD2 4.34Å; I129-L141 HydrophobicContact CD1-CG 4.37Å; I129-L141 HydrophobicContact CG1-CG 4.26Å; I129-L141 WeakPolarHBondContact CG1-O 3.33Å; I129-L141 PolarHBondContact N-O 2.94Å; Q130-L141 HydrophobicContact CB-CB 3.96Å; Q130-L141 PolarHBondContact N-O 3.12Å; Q130-L141 PolarHBondContact O-N 3.23Å; L141-Q146 WeakPolarHBondContact CA-O 3.42Å; L141-V147 HydrophobicContact CD1-CG2 3.91Å; L141-L181 HydrophobicContact CD1-CB 4.09Å; L141-L181 HydrophobicContact CD1-CD1 4.24Å; L141-V184 HydrophobicContact CB-CG1 4.25Å; L141-V184 HydrophobicContact CB-CG2 4.11Å; L141-I378 HydrophobicContact CD2-CG2 4.5Å
142S97.2Very high97.3Very high0 Ų014.8 Ų14.80%07%0.073CC..EExtended strand (participates in β ladder)trans-90.6162.2176.760.50000112.7I126 K127 D144 G145 Q146I126-S142 VanDerWaalsContact CG2-CB 3.48Å; K127-S142 CarbonylContact O-C 3.57Å; K127-S142 WeakPolarHBondContact O-CA 3.32Å; S142-D144 WeakPolarHBondContact CB-OD1 3.36Å; S142-D144 PolarHBondContact O-N 3.04Å; S142-D144 PolarHBondContact OG-OD1 2.91Å; S142-G145 PolarHBondContact O-N 2.83Å; S142-Q146 PolarHBondContact N-O 2.74Å; S142-Q146 WeakPolarHBondContact OG-CA 3.4Å; S142-Q146 VanDerWaalsContact OG-CB 3.29Å; S142-Q146 WeakPolarHBondContact OG-CB 3.43Å; S142-Q146 PolarHBondContact OG-N 2.86Å; S142-Q146 PolarHBondContact OG-O 3.42Å; S142-Q146 VanDerWaalsContact OG-O 3.05Å
143E95.7Very high97.3Very high43 Ų4313.9 Ų13.920%0.2017%0.066CC..THydrogen-bonded Turntrans-63.4-22.8179.8-165176.9-133.300113.4K127 I129 G145 I378 S379 L407K127-E143 HydrophobicContact CB-CB 4.33Å; K127-E143 WeakPolarHBondContact CD-OE2 3.12Å; K127-E143 HydrophobicContact CG-CB 4.5Å; K127-E143 IonicContact NZ-OE1 2.71Å; K127-E143 PolarHBondContact NZ-OE1 3.18Å; K127-E143 IonicContact NZ-OE2 3.56Å; K127-E143 PolarHBondContact NZ-OE2 3.01Å; K127-E143 PolarHBondContact O-N 2.92Å; I129-E143 HydrophobicContact CG2-CB 3.7Å; I129-E143 HydrophobicContact CG2-CG 4.07Å; E143-G145 VanDerWaalsContact C-N 3.35Å; E143-I378 WeakPolarHBondContact O-CA 3.35Å; E143-S379 VanDerWaalsContact CG-OG 3.27Å; E143-S379 WeakPolarHBondContact CG-OG 3.47Å; E143-S379 PolarHBondContact O-N 3.27Å; E143-L407 HydrophobicContact CB-CD2 4.45Å; E143-L407 HydrophobicContact CG-CD2 3.99Å; E143-L407 WeakPolarHBondContact OE2-CD2 3.16Å
144D94.1Very high97.2Very high32 Ų3215.6 Ų15.617%0.1718%0.078CC..THydrogen-bonded Turntrans-89.55173.568.1-29.5000113.8S142 Q146 L407 S411 C414S142-D144 WeakPolarHBondContact CB-OD1 3.36Å; S142-D144 PolarHBondContact O-N 3.04Å; S142-D144 PolarHBondContact OG-OD1 2.91Å; D144-Q146 VanDerWaalsContact OD2-CD 3.25Å; D144-Q146 WeakPolarHBondContact OD2-CG 3.43Å; D144-Q146 PolarHBondContact OD2-NE2 3.02Å; D144-L407 HydrophobicContact CB-CD1 3.79Å; D144-L407 HydrophobicContact CB-CG 4.5Å; D144-S411 PolarHBondContact O-OG 3.39Å; D144-C414 VanDerWaalsContact CA-SG 3.55Å
145G94.4Very high97.1Very high4 Ų418.2 Ų18.24%0.0419%0.09CC..SBendtrans83.216.2175.600000115.5S142 E143S142-G145 PolarHBondContact O-N 2.83Å; E143-G145 VanDerWaalsContact C-N 3.35Å
146Q95.6Very high97.1Very high48 Ų4817.1 Ų17.122%0.2249%0.085CC..  trans-85.1142.4173.2-55.7-178.3-14.800110.9L141 S142 D144 F148L141-Q146 WeakPolarHBondContact CA-O 3.42Å; S142-Q146 PolarHBondContact N-O 2.74Å; S142-Q146 WeakPolarHBondContact OG-CA 3.4Å; S142-Q146 VanDerWaalsContact OG-CB 3.29Å; S142-Q146 WeakPolarHBondContact OG-CB 3.43Å; S142-Q146 PolarHBondContact OG-N 2.86Å; S142-Q146 PolarHBondContact OG-O 3.42Å; S142-Q146 VanDerWaalsContact OG-O 3.05Å; D144-Q146 VanDerWaalsContact OD2-CD 3.25Å; D144-Q146 WeakPolarHBondContact OD2-CG 3.43Å; D144-Q146 PolarHBondContact OD2-NE2 3.02Å; Q146-F148 HydrophobicContact CB-CE2 3.77Å; Q146-F148 HydrophobicContact CB-CZ 4.16Å
147V97.9Very high97.1Very high3 Ų314.5 Ų14.52%0.0187%0.074CC..EExtended strand (participates in β ladder)trans-107.4133.4175.3178.60000109.9A140 L141 K172 V173 L176 L181 V184A140-V147 CarbonylContact O-C 3.59Å; A140-V147 WeakPolarHBondContact O-CA 3.35Å; L141-V147 HydrophobicContact CD1-CG2 3.91Å; V147-K172 WeakPolarHBondContact O-CA 3.33Å; V147-V173 HydrophobicContact CB-CB 4.31Å; V147-V173 HydrophobicContact CB-CG2 4.46Å; V147-V173 HydrophobicContact CG1-CB 4.29Å; V147-V173 HydrophobicContact CG1-CG2 3.97Å; V147-V173 PolarHBondContact O-N 2.67Å; V147-L176 HydrophobicContact CB-CD1 4.21Å; V147-L176 HydrophobicContact CG1-CD1 4.36Å; V147-L176 HydrophobicContact CG2-CD1 4.08Å; V147-L181 HydrophobicContact CG2-CD1 3.25Å; V147-V184 HydrophobicContact CG1-CG1 4.08Å; V147-V184 HydrophobicContact CG2-CG1 3.84Å
148F98.5Very high97.1Very high17 Ų1714.5 Ų14.58%0.0757%0.074CC..EExtended strand (participates in β ladder)trans-117.6142.3173.5-60.7-92000110.4L123 I126 I128 L139 A140 Q146 W150 P170 Q171 K172L123-F148 HydrophobicContact CD2-CB 4.14Å; L123-F148 HydrophobicContact CD2-CD1 3.84Å; L123-F148 HydrophobicContact CD2-CD2 3.97Å; L123-F148 HydrophobicContact CD2-CE1 4.25Å; L123-F148 HydrophobicContact CD2-CE2 4.38Å; L123-F148 HydrophobicContact CD2-CG 3.7Å; I126-F148 HydrophobicContact CD1-CE1 4.21Å; I126-F148 HydrophobicContact CD1-CE2 4.12Å; I126-F148 HydrophobicContact CD1-CZ 3.59Å; I126-F148 HydrophobicContact CG2-CE2 4.21Å; I128-F148 HydrophobicContact CD1-CD2 4.49Å; L139-F148 CarbonylContact C-O 3.55Å; L139-F148 VanDerWaalsContact CA-O 3.31Å; L139-F148 WeakPolarHBondContact CA-O 3.22Å; A140-F148 HydrophobicContact CB-CB 4.45Å; A140-F148 PolarHBondContact N-O 2.86Å; A140-F148 PolarHBondContact O-N 2.49Å; Q146-F148 HydrophobicContact CB-CE2 3.77Å; Q146-F148 HydrophobicContact CB-CZ 4.16Å; F148-W150 HydrophobicContact CB-CE3 4.46Å; F148-W150 HydrophobicContact CB-CZ3 4.14Å; F148-P170 HydrophobicContact CB-CB 4.21Å; F148-Q171 CarbonylContact C-O 3.29Å; F148-Q171 VanDerWaalsContact CA-O 3.24Å; F148-Q171 WeakPolarHBondContact CA-O 3.46Å; F148-K172 HydrophobicContact CD1-CB 4.21Å; F148-K172 HydrophobicContact CE1-CB 3.92Å; F148-K172 HydrophobicContact CE1-CG 4.42Å
149S98.4Very high97Very high0 Ų014.6 Ų14.60%08%0.076CC..EExtended strand (participates in β ladder)trans-137.1146.2177.6640000111.7S138 L158 Q171 V173S138-S149 WeakPolarHBondContact O-CA 3.29Å; S149-L158 WeakPolarHBondContact CB-O 3.38Å; S149-L158 PolarHBondContact OG-O 2.84Å; S149-Q171 PolarHBondContact N-O 3.22Å; S149-Q171 PolarHBondContact O-N 2.96Å; S149-V173 VanDerWaalsContact OG-CG2 3.31Å; S149-V173 WeakPolarHBondContact OG-CG2 3.27Å
150W98.6Very high96.9Very high0 Ų016.9 Ų16.90%09%0.088CC..EExtended strand (participates in β ladder)trans-158.5166.5176.260.795.3000111.7I86 Q104 G106 I120 L123 H137 S138 A140 F148 L158 P170I86-W150 HydrophobicContact CD1-CZ2 3.87Å; Q104-W150 VanDerWaalsContact O-CD1 3.29Å; Q104-W150 PolarHBondContact O-NE1 3.07Å; G106-W150 VanDerWaalsContact N-CD1 3.29Å; I120-W150 HydrophobicContact CD1-CH2 4.4Å; I120-W150 HydrophobicContact CD1-CZ2 3.68Å; L123-W150 HydrophobicContact CD1-CH2 4.13Å; L123-W150 HydrophobicContact CD1-CZ3 4.25Å; H137-W150 CarbonylContact C-O 3.04Å; H137-W150 VanDerWaalsContact CA-O 3.24Å; H137-W150 WeakPolarHBondContact CA-O 3.39Å; H137-W150 WeakPolarHBondContact CB-O 3.15Å; S138-W150 VanDerWaalsContact CB-CZ2 3.49Å; S138-W150 PolarHBondContact N-O 2.75Å; S138-W150 PolarHBondContact O-N 2.81Å; S138-W150 VanDerWaalsContact O-N 3.1Å; A140-W150 HydrophobicContact CB-CH2 3.86Å; A140-W150 HydrophobicContact CB-CZ3 3.83Å; F148-W150 HydrophobicContact CB-CE3 4.46Å; F148-W150 HydrophobicContact CB-CZ3 4.14Å; W150-L158 WeakPolarHBondContact O-CD2 3.14Å; W150-P170 HydrophobicContact CD2-CB 4.12Å; W150-P170 HydrophobicContact CD2-CG 3.73Å; W150-P170 HydrophobicContact CE3-CB 3.53Å; W150-P170 HydrophobicContact CE3-CG 3.58Å; W150-P170 HydrophobicContact CG-CG 4.23Å; W150-P170 HydrophobicContact CH2-CG 4.48Å; W150-P170 HydrophobicContact CZ3-CB 4Å; W150-P170 HydrophobicContact CZ3-CG 4Å
151G98.3Very high96.6Very high0 Ų017.2 Ų17.20%09%0.091CC..EExtended strand (participates in β ladder)trans103.9-148.6-173.500000112.7E102 Y136 L158 S166 Q167E102-G151 CarbonylContact O-C 3.38Å; E102-G151 WeakPolarHBondContact O-CA 3.39Å; Y136-G151 CarbonylContact O-C 3.44Å; Y136-G151 WeakPolarHBondContact O-CA 3.2Å; G151-L158 WeakPolarHBondContact O-CD1 3.34Å; G151-S166 CarbonylContact O-C 3.11Å; G151-S166 WeakPolarHBondContact O-CA 3.22Å; G151-Q167 PolarHBondContact N-O 2.5Å; G151-Q167 PolarHBondContact O-N 3.38Å
152K98Very high96.2Very high49 Ų4921.3 Ų21.321%0.21311%0.111CC..EExtended strand (participates in β ladder)trans-67141.6-179.1-166.1168.5-167138.30112.1E102 Y136 S154 Q157 L158E102-K152 HydrophobicContact CB-CB 4.07Å; E102-K152 HydrophobicContact CG-CB 4.4Å; E102-K152 HydrophobicContact CG-CD 4.33Å; E102-K152 PolarHBondContact O-N 2.92Å; E102-K152 IonicContact OE1-NZ 2.72Å; E102-K152 PolarHBondContact OE1-NZ 2.8Å; Y136-K152 HydrophobicContact CD2-CD 4.15Å; Y136-K152 HydrophobicContact CG-CD 4.29Å; Y136-K152 WeakPolarHBondContact O-CB 3.4Å; Y136-K152 PolarHBondContact O-N 3.18Å; K152-S154 WeakPolarHBondContact CE-OG 3.5Å; K152-Q157 WeakPolarHBondContact O-CG 3.14Å; K152-L158 WeakPolarHBondContact O-CD2 3.37Å; K152-L158 WeakPolarHBondContact O-CG 2.73Å
153N97.4Very high95.9Very high2 Ų230.3 Ų30.31%0.01115%0.153CC..  trans-135.715.4-179.5-163.141.1000113.7Q155 G156 Q157 L158 G161 S164 S165N153-Q155 PolarHBondContact O-N 2.84Å; N153-G156 PolarHBondContact O-N 2.89Å; N153-G156 VanDerWaalsContact OD1-CA 3.25Å; N153-G156 WeakPolarHBondContact OD1-CA 3.25Å; N153-Q157 PolarHBondContact OD1-N 3.25Å; N153-L158 HydrophobicContact CB-CB 4.35Å; N153-L158 HydrophobicContact CB-CD1 3.67Å; N153-L158 HydrophobicContact CB-CG 3.68Å; N153-L158 VanDerWaalsContact OD1-CB 3.28Å; N153-L158 WeakPolarHBondContact OD1-CB 3.42Å; N153-L158 WeakPolarHBondContact OD1-CG 2.94Å; N153-L158 PolarHBondContact OD1-N 2.79Å; N153-L158 VanDerWaalsContact OD1-N 3.13Å; N153-G161 PolarHBondContact ND2-O 2.79Å; N153-S164 WeakPolarHBondContact CB-O 3.33Å; N153-S164 PolarHBondContact ND2-O 3.04Å; N153-S165 CarbonylContact C-O 3.53Å; N153-S165 VanDerWaalsContact CA-O 3.25Å; N153-S165 WeakPolarHBondContact CA-O 3.47Å; N153-S165 WeakPolarHBondContact CB-O 3.38Å; N153-S165 PolarHBondContact N-O 2.85Å
154S95.3Very high95.7Very high48 Ų4830.7 Ų30.734%0.33616%0.161SC..THydrogen-bonded Turntrans-61.5-17.5-177.960.40000114.5K152 M162 S165K152-S154 WeakPolarHBondContact CE-OG 3.5Å; S154-M162 WeakPolarHBondContact O-CE 3.08Å; S154-S165 PolarHBondContact N-O 3.1Å
155Q95.2Very high95.7Very high58 Ų5833.4 Ų33.427%0.27118%0.182SC..THydrogen-bonded Turntrans-112.55.6175.9-60.3-65.9-5000111.9N153 Q157 G204 S205N153-Q155 PolarHBondContact O-N 2.84Å; Q155-Q157 VanDerWaalsContact C-N 3.32Å; Q155-G204 CarbonylContact O-C 3.06Å; Q155-G204 VanDerWaalsContact O-C 3.23Å; Q155-G204 WeakPolarHBondContact O-CA 3.43Å; Q155-S205 PolarHBondContact OE1-OG 3.02Å
156G95.8Very high95.8Very high0 Ų034 Ų340%019%0.186CC..SBendtrans77.412.6-174.200000114.7N153 L158 G159 M162N153-G156 PolarHBondContact O-N 2.89Å; N153-G156 VanDerWaalsContact OD1-CA 3.25Å; N153-G156 WeakPolarHBondContact OD1-CA 3.25Å; G156-L158 PolarHBondContact O-N 3.3Å; G156-G159 PolarHBondContact O-N 3.24Å; G156-M162 WeakPolarHBondContact CA-SD 3.35Å; G156-M162 PolarHBondContact N-SD 3.01Å; G156-M162 VanDerWaalsContact N-SD 3.42Å
157Q97Very high95.9Very high0 Ų033.9 Ų33.90%019%0.185CC..THydrogen-bonded Turntrans-64.4-11-173.763.5-97.965.500115.1H137 K152 N153 Q155 S189 S191 W203H137-Q157 HydrophobicContact CB-CG 4.24Å; K152-Q157 WeakPolarHBondContact O-CG 3.14Å; N153-Q157 PolarHBondContact OD1-N 3.25Å; Q155-Q157 VanDerWaalsContact C-N 3.32Å; Q157-S189 WeakPolarHBondContact CB-O 3.46Å; Q157-S191 PolarHBondContact O-OG 2.78Å; Q157-W203 PolarHBondContact O-NE1 2.85Å
158L98Very high95.8Very high0 Ų034.1 Ų34.10%019%0.188CC..THydrogen-bonded Turntrans-82-20.2171.9-57.4-169000112.8H137 S149 W150 G151 K152 N153 G156 L160 Q167H137-L158 HydrophobicContact CB-CD2 3.64Å; S149-L158 WeakPolarHBondContact CB-O 3.38Å; S149-L158 PolarHBondContact OG-O 2.84Å; W150-L158 WeakPolarHBondContact O-CD2 3.14Å; G151-L158 WeakPolarHBondContact O-CD1 3.34Å; K152-L158 WeakPolarHBondContact O-CD2 3.37Å; K152-L158 WeakPolarHBondContact O-CG 2.73Å; N153-L158 HydrophobicContact CB-CB 4.35Å; N153-L158 HydrophobicContact CB-CD1 3.67Å; N153-L158 HydrophobicContact CB-CG 3.68Å; N153-L158 VanDerWaalsContact OD1-CB 3.28Å; N153-L158 WeakPolarHBondContact OD1-CB 3.42Å; N153-L158 WeakPolarHBondContact OD1-CG 2.94Å; N153-L158 PolarHBondContact OD1-N 2.79Å; N153-L158 VanDerWaalsContact OD1-N 3.13Å; G156-L158 PolarHBondContact O-N 3.3Å; L158-L160 VanDerWaalsContact C-N 3.27Å; L158-L160 HydrophobicContact CB-CD1 3.85Å; L158-L160 HydrophobicContact CB-CG 3.92Å; L158-L160 HydrophobicContact CD1-CD1 3.95Å; L158-L160 PolarHBondContact O-N 3.23Å; L158-Q167 HydrophobicContact CD1-CB 3.78Å; L158-Q167 HydrophobicContact CD1-CG 3.66Å
159G96.6Very high95.8Very high3 Ų334.7 Ų34.73%0.03119%0.194CC..SBendtrans77.112.9-179.300000114.2G156 S224 P226G156-G159 PolarHBondContact O-N 3.24Å; G159-S224 CarbonylContact C-O 3.37Å; G159-S224 VanDerWaalsContact C-O 3.3Å; G159-S224 WeakPolarHBondContact CA-O 3.17Å; G159-P226 WeakPolarHBondContact O-CD 3.37Å
160L95.8Very high95.8Very high47 Ų4735.2 Ų35.225%0.24620%0.197CC..SBendtrans-95.37-176.8-55.3170.8000112.6L158 Q167 Q171 K172 V173L158-L160 VanDerWaalsContact C-N 3.27Å; L158-L160 HydrophobicContact CB-CD1 3.85Å; L158-L160 HydrophobicContact CB-CG 3.92Å; L158-L160 HydrophobicContact CD1-CD1 3.95Å; L158-L160 PolarHBondContact O-N 3.23Å; L160-Q167 HydrophobicContact CD1-CG 4.04Å; L160-Q171 HydrophobicContact CD1-CB 3.55Å; L160-Q171 HydrophobicContact CD1-CG 3.92Å; L160-Q171 HydrophobicContact CD2-CB 4Å; L160-Q171 HydrophobicContact CG-CB 4.44Å; L160-K172 WeakPolarHBondContact CD2-O 3.14Å; L160-V173 HydrophobicContact CD2-CG2 4.15Å
161G93.4Very high95.7Very high7 Ų738.9 Ų38.97%0.07221%0.214CC..  trans81-172.3-164.300000112.5N153 S224N153-G161 PolarHBondContact ND2-O 2.79Å; G161-S224 WeakPolarHBondContact CA-O 3.1Å; G161-S224 PolarHBondContact N-O 2.66Å
162M89.6Confident95.7Very high86 Ų8641.6 Ų41.642%0.42423%0.226SC..SBendtrans-104.318.5-174.9-63.7-59.6-72.600114S154 G156 S164 S224S154-M162 WeakPolarHBondContact O-CE 3.08Å; G156-M162 WeakPolarHBondContact CA-SD 3.35Å; G156-M162 PolarHBondContact N-SD 3.01Å; G156-M162 VanDerWaalsContact N-SD 3.42Å; M162-S164 VanDerWaalsContact C-N 3.27Å; M162-S164 PolarHBondContact O-N 2.89Å; M162-S224 VanDerWaalsContact CG-CB 3.5Å
163Q90.3Very high95.6Very high189 Ų18939.4 Ų39.488%0.88322%0.217SC*.SBendtrans-70.9-22.2-175.2-66.8-173.8-7.700113.7
164S91.1Very high95.4Very high51 Ų5143.8 Ų43.836%0.35724%0.244SC..  trans-136.1139.9177.2-51.70000109.4N153 M162 Q167N153-S164 WeakPolarHBondContact CB-O 3.33Å; N153-S164 PolarHBondContact ND2-O 3.04Å; M162-S164 VanDerWaalsContact C-N 3.27Å; M162-S164 PolarHBondContact O-N 2.89Å; S164-Q167 PolarHBondContact OG-NE2 3.21Å
165S93.6Very high95.3Very high89 Ų8942.9 Ų42.962%0.62224%0.238SC*.SBendtrans-74.1-26.9-179.2520000113.3N153 S154N153-S165 CarbonylContact C-O 3.53Å; N153-S165 VanDerWaalsContact CA-O 3.25Å; N153-S165 WeakPolarHBondContact CA-O 3.47Å; N153-S165 WeakPolarHBondContact CB-O 3.38Å; N153-S165 PolarHBondContact N-O 2.85Å; S154-S165 PolarHBondContact N-O 3.1Å
166S96.9Very high95.3Very high18 Ų1840.3 Ų40.313%0.12623%0.225CC..EExtended strand (participates in β ladder)trans-154.9160.4177.7-63.20000111.2E102 G151E102-S166 WeakPolarHBondContact O-CB 3.35Å; E102-S166 PolarHBondContact OE2-OG 2.87Å; G151-S166 CarbonylContact O-C 3.11Å; G151-S166 WeakPolarHBondContact O-CA 3.22Å
167Q97.6Very high95.2Very high44 Ų4442.8 Ų42.821%0.20624%0.237CC..EExtended strand (participates in β ladder)trans-133.6117.5179.8-70.3-66.2-1700110.8G151 L158 L160 S164 S169 Q171G151-Q167 PolarHBondContact N-O 2.5Å; G151-Q167 PolarHBondContact O-N 3.38Å; L158-Q167 HydrophobicContact CD1-CB 3.78Å; L158-Q167 HydrophobicContact CD1-CG 3.66Å; L160-Q167 HydrophobicContact CD1-CG 4.04Å; S164-Q167 PolarHBondContact OG-NE2 3.21Å; Q167-S169 VanDerWaalsContact C-N 3.33Å; Q167-Q171 HydrophobicContact CB-CG 4.43Å; Q167-Q171 HydrophobicContact CG-CG 4.12Å
168A97.1Very high95Very high9 Ų943.1 Ų43.17%0.07424%0.241CC..EExtended strand (participates in β ladder)trans-83.4-6.4179.100000114.5G106 I107 G108 F110G106-A168 CarbonylContact C-O 3.42Å; G106-A168 WeakPolarHBondContact CA-O 3.14Å; I107-A168 PolarHBondContact N-O 2.95Å; G108-A168 WeakPolarHBondContact CA-O 3.42Å; G108-A168 PolarHBondContact N-O 2.99Å; F110-A168 HydrophobicContact CD1-CB 4.08Å; F110-A168 HydrophobicContact CD2-CB 3.88Å; F110-A168 HydrophobicContact CE1-CB 3.89Å; F110-A168 HydrophobicContact CE2-CB 3.69Å; F110-A168 HydrophobicContact CG-CB 4.08Å; F110-A168 HydrophobicContact CZ-CB 3.7Å
169S97.3Very high94.8Very high28 Ų2843.1 Ų43.120%0.19624%0.241CC..EExtended strand (participates in β ladder)trans-127.4140.5175.6-69.70000110.3G108 Q167 Q171G108-S169 WeakPolarHBondContact CA-OG 3.41Å; Q167-S169 VanDerWaalsContact C-N 3.33Å; S169-Q171 WeakPolarHBondContact O-CG 3.3Å; S169-Q171 PolarHBondContact O-N 3.01Å; S169-Q171 PolarHBondContact O-NE2 3.11Å
170P98.2Very high94.7Very high11 Ų1143 Ų437%0.07124%0.239CC..EExtended strand (participates in β ladder)trans-45.5123167.5-26.226.9000112.4G106 I120 T122 L123 F148 W150G106-P170 WeakPolarHBondContact O-CD 3.42Å; I120-P170 HydrophobicContact CG2-CG 3.57Å; T122-P170 WeakPolarHBondContact OG1-CD 3.48Å; T122-P170 WeakPolarHBondContact OG1-CG 3.06Å; L123-P170 HydrophobicContact CD1-CB 4.3Å; L123-P170 HydrophobicContact CD1-CG 3.97Å; L123-P170 HydrophobicContact CD2-CB 3.78Å; L123-P170 HydrophobicContact CD2-CG 4.24Å; L123-P170 HydrophobicContact CG-CB 3.98Å; L123-P170 HydrophobicContact CG-CG 3.86Å; F148-P170 HydrophobicContact CB-CB 4.21Å; W150-P170 HydrophobicContact CD2-CB 4.12Å; W150-P170 HydrophobicContact CD2-CG 3.73Å; W150-P170 HydrophobicContact CE3-CB 3.53Å; W150-P170 HydrophobicContact CE3-CG 3.58Å; W150-P170 HydrophobicContact CG-CG 4.23Å; W150-P170 HydrophobicContact CH2-CG 4.48Å; W150-P170 HydrophobicContact CZ3-CB 4Å; W150-P170 HydrophobicContact CZ3-CG 4Å
171Q97.9Very high94.7Very high77 Ų7740.8 Ų40.836%0.3623%0.228SC..EExtended strand (participates in β ladder)trans-113.7141.1173.8-59.6-56.6-45.900109.5F148 S149 L160 Q167 S169F148-Q171 CarbonylContact C-O 3.29Å; F148-Q171 VanDerWaalsContact CA-O 3.24Å; F148-Q171 WeakPolarHBondContact CA-O 3.46Å; S149-Q171 PolarHBondContact N-O 3.22Å; S149-Q171 PolarHBondContact O-N 2.96Å; L160-Q171 HydrophobicContact CD1-CB 3.55Å; L160-Q171 HydrophobicContact CD1-CG 3.92Å; L160-Q171 HydrophobicContact CD2-CB 4Å; L160-Q171 HydrophobicContact CG-CB 4.44Å; Q167-Q171 HydrophobicContact CB-CG 4.43Å; Q167-Q171 HydrophobicContact CG-CG 4.12Å; S169-Q171 WeakPolarHBondContact O-CG 3.3Å; S169-Q171 PolarHBondContact O-N 3.01Å; S169-Q171 PolarHBondContact O-NE2 3.11Å
172K96.9Very high94.7Very high58 Ų5841 Ų4125%0.25223%0.229SC..EExtended strand (participates in β ladder)trans-70.3129175.6-174.2177.1173-178.90110V147 F148 L160 T174 E177V147-K172 WeakPolarHBondContact O-CA 3.33Å; F148-K172 HydrophobicContact CD1-CB 4.21Å; F148-K172 HydrophobicContact CE1-CB 3.92Å; F148-K172 HydrophobicContact CE1-CG 4.42Å; L160-K172 WeakPolarHBondContact CD2-O 3.14Å; K172-T174 HydrophobicContact CG-CG2 4.45Å; K172-T174 PolarHBondContact O-N 2.89Å; K172-T174 VanDerWaalsContact O-N 3.11Å; K172-E177 WeakPolarHBondContact CE-OE1 3.46Å; K172-E177 IonicContact NZ-OE1 3Å; K172-E177 PolarHBondContact NZ-OE1 3.1Å
173V96.8Very high95Very high2 Ų237.1 Ų37.11%0.01221%0.21CC..  trans-82.983.7175.1-172.80000109.1V147 S149 L160 S175 L176 P226V147-V173 HydrophobicContact CB-CB 4.31Å; V147-V173 HydrophobicContact CB-CG2 4.46Å; V147-V173 HydrophobicContact CG1-CB 4.29Å; V147-V173 HydrophobicContact CG1-CG2 3.97Å; V147-V173 PolarHBondContact O-N 2.67Å; S149-V173 VanDerWaalsContact OG-CG2 3.31Å; S149-V173 WeakPolarHBondContact OG-CG2 3.27Å; L160-V173 HydrophobicContact CD2-CG2 4.15Å; V173-S175 PolarHBondContact O-N 3.41Å; V173-L176 HydrophobicContact CG1-CD1 4.05Å; V173-L176 HydrophobicContact CG1-CG 4.21Å; V173-L176 PolarHBondContact O-N 2.9Å; V173-L176 VanDerWaalsContact O-N 3.12Å; V173-P226 HydrophobicContact CG1-CG 3.7Å
174T94Very high95.3Very high94 Ų9428.1 Ų28.158%0.57717%0.168SC*.G310 helixtrans-63.5-23-170.853.60000114.5K172 L176 E177K172-T174 HydrophobicContact CG-CG2 4.45Å; K172-T174 PolarHBondContact O-N 2.89Å; K172-T174 VanDerWaalsContact O-N 3.11Å; T174-L176 PolarHBondContact O-N 2.9Å; T174-E177 WeakPolarHBondContact O-CB 3.42Å; T174-E177 PolarHBondContact O-N 3.27Å; T174-E177 VanDerWaalsContact O-N 3.14Å
175S93.1Very high95.6Very high30 Ų3026 Ų2621%0.2115%0.152CC..G310 helixtrans-67.8-20.9176.1600000113.6V173 E177 P226 H473V173-S175 PolarHBondContact O-N 3.41Å; S175-E177 VanDerWaalsContact C-N 3.34Å; S175-P226 WeakPolarHBondContact OG-CD 3.3Å; S175-P226 VanDerWaalsContact OG-CG 3.25Å; S175-P226 WeakPolarHBondContact OG-CG 3.44Å; S175-H473 PolarHBondContact O-CD2 3.31Å; S175-H473 VanDerWaalsContact O-CD2 3.25Å
176L95Very high95.8Very high3 Ų322 Ų222%0.01613%0.126CC..G310 helixtrans-91.74175.1-67.4172.9000112.9V147 V173 T174 G178 I179 L181 A193 Y201 W203 P226V147-L176 HydrophobicContact CB-CD1 4.21Å; V147-L176 HydrophobicContact CG1-CD1 4.36Å; V147-L176 HydrophobicContact CG2-CD1 4.08Å; V173-L176 HydrophobicContact CG1-CD1 4.05Å; V173-L176 HydrophobicContact CG1-CG 4.21Å; V173-L176 PolarHBondContact O-N 2.9Å; V173-L176 VanDerWaalsContact O-N 3.12Å; T174-L176 PolarHBondContact O-N 2.9Å; L176-G178 PolarHBondContact O-N 2.82Å; L176-I179 HydrophobicContact CB-CD1 4.46Å; L176-I179 HydrophobicContact CD2-CD1 3.78Å; L176-I179 WeakPolarHBondContact O-CB 3.36Å; L176-I179 WeakPolarHBondContact O-CG1 3.28Å; L176-I179 PolarHBondContact O-N 3.03Å; L176-L181 HydrophobicContact CB-CD1 4.38Å; L176-L181 HydrophobicContact CD1-CD1 4.36Å; L176-A193 HydrophobicContact CD1-CB 3.96Å; L176-A193 HydrophobicContact CD2-CB 4.46Å; L176-Y201 HydrophobicContact CD2-CD1 4.44Å; L176-Y201 HydrophobicContact CD2-CD2 4.36Å; L176-Y201 HydrophobicContact CD2-CG 4.03Å; L176-W203 HydrophobicContact CD1-CH2 3.87Å; L176-W203 HydrophobicContact CD1-CZ3 4.08Å; L176-P226 HydrophobicContact CD1-CB 4.31Å; L176-P226 HydrophobicContact CD1-CG 3.92Å; L176-P226 HydrophobicContact CD2-CB 3.62Å; L176-P226 HydrophobicContact CD2-CG 4.11Å; L176-P226 HydrophobicContact CG-CB 3.85Å; L176-P226 HydrophobicContact CG-CG 3.74Å
177E92.9Very high95.8Very high53 Ų5321.4 Ų21.425%0.24812%0.122CC..THydrogen-bonded Turntrans-61.8134.9-176.2-177.6156.2-13400112.5K172 T174 S175 I179 A476K172-E177 WeakPolarHBondContact CE-OE1 3.46Å; K172-E177 IonicContact NZ-OE1 3Å; K172-E177 PolarHBondContact NZ-OE1 3.1Å; T174-E177 WeakPolarHBondContact O-CB 3.42Å; T174-E177 PolarHBondContact O-N 3.27Å; T174-E177 VanDerWaalsContact O-N 3.14Å; S175-E177 VanDerWaalsContact C-N 3.34Å; E177-I179 PolarHBondContact O-N 3.11Å; E177-A476 WeakPolarHBondContact O-CB 3.32Å
178G92.6Very high95.7Very high7 Ų719.3 Ų19.37%0.07211%0.112CC..THydrogen-bonded Turntrans79-7.8-178.900000115L176L176-G178 PolarHBondContact O-N 2.82Å
179I94.9Very high95.7Very high0 Ų020.4 Ų20.40%012%0.119CC..  trans-75.5126.8176.7-56.8177.5000109.3L176 E177 L181 Y201 A413 H473 D475 A476L176-I179 HydrophobicContact CB-CD1 4.46Å; L176-I179 HydrophobicContact CD2-CD1 3.78Å; L176-I179 WeakPolarHBondContact O-CB 3.36Å; L176-I179 WeakPolarHBondContact O-CG1 3.28Å; L176-I179 PolarHBondContact O-N 3.03Å; E177-I179 PolarHBondContact O-N 3.11Å; I179-L181 HydrophobicContact CB-CD2 4.29Å; I179-L181 HydrophobicContact CB-CG 4.32Å; I179-L181 HydrophobicContact CG2-CD2 3.67Å; I179-L181 HydrophobicContact CG2-CG 4.12Å; I179-L181 PolarHBondContact O-N 3.04Å; I179-Y201 HydrophobicContact CD1-CE1 4.04Å; I179-Y201 HydrophobicContact CD1-CE2 4.06Å; I179-Y201 HydrophobicContact CG2-CE2 3.95Å; I179-A413 WeakPolarHBondContact O-CB 3.17Å; I179-H473 HydrophobicContact CD1-CB 3.77Å; I179-H473 HydrophobicContact CG1-CB 4.33Å; I179-D475 HydrophobicContact CG2-CB 4.08Å; I179-A476 HydrophobicContact CG1-CB 3.88Å
180P94.3Very high95.7Very high0 Ų019.1 Ų19.10%011%0.11CC..  trans-7190.7173.430.5-34.9000110S195 L196 I378 T416 A417 L420P180-S195 CarbonylContact O-C 3.58Å; P180-S195 WeakPolarHBondContact O-CA 3.45Å; P180-L196 HydrophobicContact CB-CB 4.45Å; P180-L196 HydrophobicContact CB-CD1 4.15Å; P180-L196 PolarHBondContact O-N 3.42Å; P180-I378 HydrophobicContact CB-CD1 4.42Å; P180-T416 HydrophobicContact CG-CG2 3.99Å; P180-A417 HydrophobicContact CB-CB 3.8Å; P180-L420 HydrophobicContact CB-CD1 4.32Å; P180-L420 HydrophobicContact CG-CD1 4.08Å
181L95.1Very high95.7Very high1 Ų118.6 Ų18.61%0.00511%0.107CC..EExtended strand (participates in β ladder)trans-83.6140.6-176.2-67.3175.4000113.2L141 V147 L176 I179 A193L141-L181 HydrophobicContact CD1-CB 4.09Å; L141-L181 HydrophobicContact CD1-CD1 4.24Å; V147-L181 HydrophobicContact CG2-CD1 3.25Å; L176-L181 HydrophobicContact CB-CD1 4.38Å; L176-L181 HydrophobicContact CD1-CD1 4.36Å; I179-L181 HydrophobicContact CB-CD2 4.29Å; I179-L181 HydrophobicContact CB-CG 4.32Å; I179-L181 HydrophobicContact CG2-CD2 3.67Å; I179-L181 HydrophobicContact CG2-CG 4.12Å; I179-L181 PolarHBondContact O-N 3.04Å; L181-A193 HydrophobicContact CD1-CB 4.3Å; L181-A193 HydrophobicContact CD2-CB 3.88Å
182A93.3Very high95.7Very high11 Ų1115 Ų159%0.0919%0.09CC..EExtended strand (participates in β ladder)trans-100.1-31.5174.800000112.3L194 L196A182-L194 PolarHBondContact N-O 3.24Å; A182-L196 HydrophobicContact CB-CD2 3.64Å; A182-L196 HydrophobicContact CB-CG 4.05Å
183Q95.6Very high95.7Very high5 Ų512.2 Ų12.22%0.0238%0.078CC..EExtended strand (participates in β ladder)trans-156.5148-172.9-160.3-170.9-12.200112.2A193 L194 Y239 I240 L375Q183-A193 CarbonylContact O-C 3.58Å; Q183-A193 VanDerWaalsContact O-CA 3.27Å; Q183-A193 WeakPolarHBondContact O-CA 3.3Å; Q183-L194 HydrophobicContact CB-CB 4.08Å; Q183-L194 PolarHBondContact N-O 2.97Å; Q183-L194 PolarHBondContact O-N 2.91Å; Q183-Y239 VanDerWaalsContact OE1-CD2 3.27Å; Q183-I240 PolarHBondContact NE2-O 3.48Å; Q183-I240 PolarHBondContact OE1-O 3.46Å; Q183-L375 HydrophobicContact CB-CD1 4.09Å; Q183-L375 HydrophobicContact CG-CD1 4.37Å; Q183-L375 HydrophobicContact CG-CD2 3.99Å
184V97.9Very high95.7Very high0 Ų012.3 Ų12.30%08%0.079CC..EExtended strand (participates in β ladder)trans-113.4146.1155.5-64.70000111.1Q130 L139 L141 V147 F192 A193Q130-V184 HydrophobicContact CG-CG2 4.49Å; Q130-V184 PolarHBondContact NE2-O 3.01Å; L139-V184 HydrophobicContact CB-CB 4.38Å; L139-V184 HydrophobicContact CB-CG2 4.21Å; L139-V184 HydrophobicContact CD1-CB 4.28Å; L141-V184 HydrophobicContact CB-CG1 4.25Å; L141-V184 HydrophobicContact CB-CG2 4.11Å; V147-V184 HydrophobicContact CG1-CG1 4.08Å; V147-V184 HydrophobicContact CG2-CG1 3.84Å; V184-F192 CarbonylContact C-O 3.58Å; V184-F192 WeakPolarHBondContact CA-O 3.37Å; V184-A193 HydrophobicContact CG1-CB 4.45Å
185A97.4Very high95.6Very high5 Ų58 Ų84%0.0415%0.052CC..EExtended strand (participates in β ladder)trans-140.8136.8175.800000109.9S191 F192 I240A185-S191 CarbonylContact O-C 2.99Å; A185-S191 WeakPolarHBondContact O-CA 3.4Å; A185-F192 HydrophobicContact CB-CB 4.38Å; A185-F192 PolarHBondContact N-O 3.05Å; A185-F192 PolarHBondContact O-N 3.48Å; A185-I240 HydrophobicContact CB-CG2 4.43Å
186A97.5Very high95.5Very high7 Ų79.4 Ų9.46%0.0586%0.057CC..EExtended strand (participates in β ladder)trans-119.313117800000109.6S132 L139S132-A186 PolarHBondContact OG-N 3.11Å; L139-A186 HydrophobicContact CD1-CB 3.95Å; L139-A186 HydrophobicContact CG-CB 4.22Å
187G95.9Very high95Very high4 Ų49.7 Ų9.74%0.0416%0.059CC..  trans-101.9-160.1169.900000111.5G134 H137 H190 G243G134-G187 WeakPolarHBondContact CA-O 3.49Å; H137-G187 PolarHBondContact CE1-O 3.15Å; G187-H190 PolarHBondContact N-O 2.94Å; G187-G243 CarbonylContact C-O 3.54Å; G187-G243 WeakPolarHBondContact CA-O 3.25Å
188G95.6Very high94.8Very high1 Ų17.4 Ų7.41%0.015%0.049CC..SBendtrans-56.8-55.8-179.800000114.3H135 G243 Y244H135-G188 WeakPolarHBondContact CB-O 3.44Å; H135-G188 PolarHBondContact N-O 2.9Å; G188-G243 PolarHBondContact N-O 3.27Å; G188-G243 VanDerWaalsContact N-O 3.1Å; G188-Y244 VanDerWaalsContact CA-O 3.25Å; G188-Y244 WeakPolarHBondContact CA-O 3.22Å; G188-Y244 PolarHBondContact N-O 3.18Å
189S97Very high94.7Very high32 Ų327.9 Ų7.922%0.2245%0.051CC..SBendtrans-139.925.6-178.8-68.30000112.1Q157 S205Q157-S189 WeakPolarHBondContact CB-O 3.46Å; S189-S205 WeakPolarHBondContact O-CB 2.96Å; S189-S205 PolarHBondContact O-N 2.9Å
190H97.8Very high94.7Very high0 Ų07.9 Ų7.90%05%0.051CC..EExtended strand (participates in β ladder)trans-142.6167.8176.471.3-71.4000110.6G187 F192 W203 Q210 L211 T247G187-H190 PolarHBondContact N-O 2.94Å; H190-F192 AromaticContact CD2-CD2 3.9Å; H190-F192 AromaticContact CD2-CE2 3.81Å; H190-W203 CarbonylContact C-O 3.51Å; H190-W203 WeakPolarHBondContact CA-O 3.37Å; H190-W203 WeakPolarHBondContact CB-O 3.19Å; H190-Q210 HydrophobicContact CB-CG 4.3Å; H190-L211 HydrophobicContact CB-CD2 3.95Å; H190-T247 PolarHBondContact NE2-OG1 3.46Å
191S98.4Very high94.8Very high0 Ų08 Ų80%05%0.051CC..EExtended strand (participates in β ladder)trans-148.2150.7-172.2-660000109.8H137 Q157 A185 G202 W203H137-S191 PolarHBondContact NE2-OG 3.47Å; Q157-S191 PolarHBondContact O-OG 2.78Å; A185-S191 CarbonylContact O-C 2.99Å; A185-S191 WeakPolarHBondContact O-CA 3.4Å; S191-G202 WeakPolarHBondContact O-CA 3.25Å; S191-W203 VanDerWaalsContact CB-NE1 3.27Å; S191-W203 PolarHBondContact N-O 3.44Å; S191-W203 PolarHBondContact O-N 2.78Å
192F98.1Very high94.9Very high1 Ų18 Ų80%0.0045%0.051CC..EExtended strand (participates in β ladder)trans-133.9149.7176.8-88.8-91.7000111.3V184 A185 H190 Y201 L211 I229 L232 I240 T247 F259V184-F192 CarbonylContact C-O 3.58Å; V184-F192 WeakPolarHBondContact CA-O 3.37Å; A185-F192 HydrophobicContact CB-CB 4.38Å; A185-F192 PolarHBondContact N-O 3.05Å; A185-F192 PolarHBondContact O-N 3.48Å; H190-F192 AromaticContact CD2-CD2 3.9Å; H190-F192 AromaticContact CD2-CE2 3.81Å; F192-Y201 CarbonylContact C-O 3.29Å; F192-Y201 WeakPolarHBondContact CA-O 3.29Å; F192-Y201 WeakPolarHBondContact CD1-O 3.46Å; F192-L211 HydrophobicContact CD2-CD2 4.3Å; F192-L211 HydrophobicContact CE2-CD2 3.54Å; F192-L211 HydrophobicContact CZ-CD2 3.9Å; F192-I229 HydrophobicContact CE1-CG1 3.89Å; F192-I229 HydrophobicContact CZ-CG1 4.43Å; F192-L232 HydrophobicContact CE1-CD1 4.17Å; F192-I240 HydrophobicContact CB-CD1 4.27Å; F192-I240 HydrophobicContact CB-CG2 4.08Å; F192-I240 HydrophobicContact CD1-CD1 3.89Å; F192-I240 HydrophobicContact CG-CD1 4.36Å; F192-I240 HydrophobicContact CG-CG2 4.16Å; F192-T247 HydrophobicContact CD2-CG2 4.24Å; F192-T247 HydrophobicContact CE2-CG2 3.94Å; F192-T247 HydrophobicContact CZ-CG2 4.38Å; F192-F259 HydrophobicContact CE2-CE2 4.46Å; F192-F259 HydrophobicContact CZ-CE2 4.04Å; F192-F259 HydrophobicContact CZ-CZ 4.22Å
193A97.4Very high95Very high1 Ų17.5 Ų7.51%0.0085%0.047CC..EExtended strand (participates in β ladder)trans-129.2140.2162.800000109.2L176 L181 Q183 V184 Y201 W203L176-A193 HydrophobicContact CD1-CB 3.96Å; L176-A193 HydrophobicContact CD2-CB 4.46Å; L181-A193 HydrophobicContact CD1-CB 4.3Å; L181-A193 HydrophobicContact CD2-CB 3.88Å; Q183-A193 CarbonylContact O-C 3.58Å; Q183-A193 VanDerWaalsContact O-CA 3.27Å; Q183-A193 WeakPolarHBondContact O-CA 3.3Å; V184-A193 HydrophobicContact CG1-CB 4.45Å; A193-Y201 PolarHBondContact N-O 2.69Å; A193-Y201 PolarHBondContact O-N 2.91Å; A193-W203 HydrophobicContact CB-CH2 3.87Å; A193-W203 HydrophobicContact CB-CZ3 3.82Å
194L95.2Very high95.1Very high4 Ų47.2 Ų7.22%0.0215%0.046CC..EExtended strand (participates in β ladder)trans-112.5127177.3178.564.5000108.6A182 Q183 V237 I238 I240A182-L194 PolarHBondContact N-O 3.24Å; Q183-L194 HydrophobicContact CB-CB 4.08Å; Q183-L194 PolarHBondContact N-O 2.97Å; Q183-L194 PolarHBondContact O-N 2.91Å; L194-V237 HydrophobicContact CD1-CB 4.27Å; L194-V237 HydrophobicContact CD1-CG1 3.95Å; L194-V237 HydrophobicContact CD2-CG1 4.34Å; L194-I238 VanDerWaalsContact CD2-C 3.4Å; L194-I238 WeakPolarHBondContact CD2-O 3.28Å; L194-I240 HydrophobicContact CB-CD1 4.1Å; L194-I240 HydrophobicContact CB-CG1 4.48Å; L194-I240 HydrophobicContact CD1-CD1 4.32Å
195S93.3Very high95Very high2 Ų27.6 Ų7.61%0.0145%0.048CC..EExtended strand (participates in β ladder)trans-80.4157.9171.167.50000112.2P180 T197 G198 T199 D475P180-S195 CarbonylContact O-C 3.58Å; P180-S195 WeakPolarHBondContact O-CA 3.45Å; S195-T197 PolarHBondContact O-N 2.9Å; S195-T197 PolarHBondContact OG-OG1 3.1Å; S195-G198 WeakPolarHBondContact O-CA 3.2Å; S195-G198 PolarHBondContact O-N 3.48Å; S195-G198 PolarHBondContact OG-N 2.98Å; S195-T199 PolarHBondContact N-O 3.18Å; S195-T199 WeakPolarHBondContact OG-CA 3.2Å; S195-T199 VanDerWaalsContact OG-CB 3.3Å; S195-T199 WeakPolarHBondContact OG-CB 3.46Å; S195-T199 PolarHBondContact OG-N 3.15Å; S195-T199 PolarHBondContact OG-O 3.5Å; S195-D475 WeakPolarHBondContact CB-OD2 3.46Å; S195-D475 PolarHBondContact OG-OD2 2.86Å
196L89.9Confident94.8Very high61 Ų617.4 Ų7.432%0.3195%0.046SC..THydrogen-bonded Turntrans-63.5-21.8171-71.5171.8000112.3P180 A182 G198 I378 A417 L420P180-L196 HydrophobicContact CB-CB 4.45Å; P180-L196 HydrophobicContact CB-CD1 4.15Å; P180-L196 PolarHBondContact O-N 3.42Å; A182-L196 HydrophobicContact CB-CD2 3.64Å; A182-L196 HydrophobicContact CB-CG 4.05Å; L196-G198 PolarHBondContact O-N 2.72Å; L196-I378 HydrophobicContact CD1-CD1 4.33Å; L196-I378 HydrophobicContact CD1-CG1 4.28Å; L196-A417 HydrophobicContact CD1-CB 3.53Å; L196-L420 HydrophobicContact CB-CD1 3.59Å
197T85.5Confident94.4Very high9 Ų99.2 Ų9.26%0.0556%0.059CC..THydrogen-bonded Turntrans-78.5-2.817061.60000112.4S195 T199 L420 R423 D475S195-T197 PolarHBondContact O-N 2.9Å; S195-T197 PolarHBondContact OG-OG1 3.1Å; T197-T199 PolarHBondContact OG1-OG1 2.85Å; T197-L420 HydrophobicContact CG2-CD1 3.91Å; T197-L420 HydrophobicContact CG2-CD2 3.66Å; T197-L420 HydrophobicContact CG2-CG 4.44Å; T197-R423 PolarHBondContact O-NE 2.86Å; T197-R423 PolarHBondContact O-NH2 2.94Å; T197-D475 PolarHBondContact OG1-OD1 3.11Å; T197-D475 PolarHBondContact OG1-OD2 3.16Å
198G87.9Confident94Very high4 Ų411.1 Ų11.14%0.0417%0.07CC..  trans84.26.7178.400000115S195 L196S195-G198 WeakPolarHBondContact O-CA 3.2Å; S195-G198 PolarHBondContact O-N 3.48Å; S195-G198 PolarHBondContact OG-N 2.98Å; L196-G198 PolarHBondContact O-N 2.72Å
199T91.5Very high93.7Very high17 Ų1711.1 Ų11.110%0.1047%0.069CC..  trans-74129.7173.2-540000109.5S195 T197 Y201 S228 D475S195-T199 PolarHBondContact N-O 3.18Å; S195-T199 WeakPolarHBondContact OG-CA 3.2Å; S195-T199 VanDerWaalsContact OG-CB 3.3Å; S195-T199 WeakPolarHBondContact OG-CB 3.46Å; S195-T199 PolarHBondContact OG-N 3.15Å; S195-T199 PolarHBondContact OG-O 3.5Å; T197-T199 PolarHBondContact OG1-OG1 2.85Å; T199-Y201 HydrophobicContact CG2-CD2 4.43Å; T199-Y201 HydrophobicContact CG2-CE1 3.91Å; T199-Y201 HydrophobicContact CG2-CE2 3.73Å; T199-Y201 VanDerWaalsContact CG2-CZ 3.44Å; T199-Y201 WeakPolarHBondContact CG2-OH 3.4Å; T199-S228 VanDerWaalsContact CG2-OG 3.22Å; T199-S228 WeakPolarHBondContact CG2-OG 3.22Å; T199-D475 PolarHBondContact OG1-OD2 3.35Å
200S94.4Very high93.5Very high1 Ų19.7 Ų9.71%0.0076%0.059CC..EExtended strand (participates in β ladder)trans-99.9127.5178-58.60000109.9I229S200-I229 PolarHBondContact O-N 3.09Å
201Y96.2Very high93.3Very high3 Ų39.7 Ų9.71%0.0126%0.059CC..EExtended strand (participates in β ladder)trans-111.6119177.9-57.5-86.9000109.1L176 I179 F192 A193 T199 W203 H227 H473 D475L176-Y201 HydrophobicContact CD2-CD1 4.44Å; L176-Y201 HydrophobicContact CD2-CD2 4.36Å; L176-Y201 HydrophobicContact CD2-CG 4.03Å; I179-Y201 HydrophobicContact CD1-CE1 4.04Å; I179-Y201 HydrophobicContact CD1-CE2 4.06Å; I179-Y201 HydrophobicContact CG2-CE2 3.95Å; F192-Y201 CarbonylContact C-O 3.29Å; F192-Y201 WeakPolarHBondContact CA-O 3.29Å; F192-Y201 WeakPolarHBondContact CD1-O 3.46Å; A193-Y201 PolarHBondContact N-O 2.69Å; A193-Y201 PolarHBondContact O-N 2.91Å; T199-Y201 HydrophobicContact CG2-CD2 4.43Å; T199-Y201 HydrophobicContact CG2-CE1 3.91Å; T199-Y201 HydrophobicContact CG2-CE2 3.73Å; T199-Y201 VanDerWaalsContact CG2-CZ 3.44Å; T199-Y201 WeakPolarHBondContact CG2-OH 3.4Å; Y201-W203 WeakPolarHBondContact O-CZ3 3.39Å; Y201-H227 CarbonylContact C-O 3.55Å; Y201-H227 WeakPolarHBondContact CA-O 3.3Å; Y201-H473 AromaticContact CD1-CE1 3.82Å; Y201-H473 AromaticContact CD1-ND1 3.89Å; Y201-H473 HydrophobicContact CE1-CB 3.93Å; Y201-H473 AromaticContact CE1-CE1 3.79Å; Y201-H473 AromaticContact CE1-CG 3.5Å; Y201-H473 VanDerWaalsContact CE1-CG 3.5Å; Y201-H473 AromaticContact CE1-ND1 3.37Å; Y201-H473 WeakPolarHBondContact CE1-ND1 3.47Å; Y201-D475 PolarHBondContact OH-OD2 3.25Å
202G96.2Very high92.9Very high0 Ų09.7 Ų9.70%06%0.059CC..EExtended strand (participates in β ladder)trans-117146-178.500000112.2S191 H227S191-G202 WeakPolarHBondContact O-CA 3.25Å; G202-H227 PolarHBondContact N-O 2.96Å; G202-H227 PolarHBondContact O-N 2.82Å
203W97.1Very high92.2Very high0 Ų010.3 Ų10.30%06%0.063CC..EExtended strand (participates in β ladder)trans-156.3164.8173.964.495.5000112L139 Q157 L176 H190 S191 A193 Y201 I223 P226L139-W203 HydrophobicContact CD1-CZ2 4.27Å; L139-W203 HydrophobicContact CD2-CZ2 4.35Å; Q157-W203 PolarHBondContact O-NE1 2.85Å; L176-W203 HydrophobicContact CD1-CH2 3.87Å; L176-W203 HydrophobicContact CD1-CZ3 4.08Å; H190-W203 CarbonylContact C-O 3.51Å; H190-W203 WeakPolarHBondContact CA-O 3.37Å; H190-W203 WeakPolarHBondContact CB-O 3.19Å; S191-W203 VanDerWaalsContact CB-NE1 3.27Å; S191-W203 PolarHBondContact N-O 3.44Å; S191-W203 PolarHBondContact O-N 2.78Å; A193-W203 HydrophobicContact CB-CH2 3.87Å; A193-W203 HydrophobicContact CB-CZ3 3.82Å; Y201-W203 WeakPolarHBondContact O-CZ3 3.39Å; W203-I223 HydrophobicContact CB-CG2 4.21Å; W203-P226 HydrophobicContact CD2-CB 4.25Å; W203-P226 HydrophobicContact CD2-CG 3.74Å; W203-P226 HydrophobicContact CE3-CB 3.7Å; W203-P226 HydrophobicContact CE3-CG 3.62Å; W203-P226 HydrophobicContact CG-CG 4.27Å; W203-P226 HydrophobicContact CH2-CG 4.45Å; W203-P226 HydrophobicContact CZ3-CB 4.1Å; W203-P226 HydrophobicContact CZ3-CG 3.98Å
204G96.7Very high90.6Very high0 Ų013.7 Ų13.70%09%0.086CC..EExtended strand (participates in β ladder)trans103.6-150.2-174.100000112.7Q155 Q222 I223Q155-G204 CarbonylContact O-C 3.06Å; Q155-G204 VanDerWaalsContact O-C 3.23Å; Q155-G204 WeakPolarHBondContact O-CA 3.43Å; G204-Q222 CarbonylContact O-C 3.55Å; G204-Q222 VanDerWaalsContact O-CA 3.24Å; G204-Q222 WeakPolarHBondContact O-CA 3.45Å; G204-I223 PolarHBondContact N-O 2.95Å; G204-I223 PolarHBondContact O-N 3.02Å
205S94.9Very high88.8Confident7 Ų715.8 Ų15.85%0.04911%0.108CC..EExtended strand (participates in β ladder)trans-68141.8-179.5-164.90000112.2Q155 S189 S207 Q210Q155-S205 PolarHBondContact OE1-OG 3.02Å; S189-S205 WeakPolarHBondContact O-CB 2.96Å; S189-S205 PolarHBondContact O-N 2.9Å; S205-S207 PolarHBondContact OG-OG 2.97Å; S205-Q210 WeakPolarHBondContact O-CG 3.49Å; S205-Q210 PolarHBondContact O-NE2 3.32Å
206N93.3Very high86.5Confident1 Ų125.1 Ų25.11%0.00515%0.152CC..  trans-135.325.4173.8-169.653.4000111.5V208 G209 Q210 L211 L213 E220 V221N206-V208 PolarHBondContact O-N 3.19Å; N206-V208 VanDerWaalsContact O-N 3.17Å; N206-G209 PolarHBondContact O-N 3.23Å; N206-G209 WeakPolarHBondContact OD1-CA 3.16Å; N206-Q210 PolarHBondContact OD1-N 3.17Å; N206-L211 HydrophobicContact CB-CB 4.29Å; N206-L211 HydrophobicContact CB-CD1 4.04Å; N206-L211 HydrophobicContact CB-CG 4.11Å; N206-L211 WeakPolarHBondContact OD1-CB 3.43Å; N206-L211 PolarHBondContact OD1-N 3.38Å; N206-L213 HydrophobicContact CB-CD1 4.27Å; N206-L213 WeakPolarHBondContact ND2-CD1 3.27Å; N206-E220 PolarHBondContact ND2-O 3.08Å; N206-V221 CarbonylContact C-O 3.54Å; N206-V221 WeakPolarHBondContact CA-O 3.07Å; N206-V221 PolarHBondContact N-O 3.5Å
207S89.8Confident84.3Confident46 Ų4629.4 Ų29.432%0.32218%0.175SC..THydrogen-bonded Turntrans-54.7-35-177.9530000113.5S205 V221S205-S207 PolarHBondContact OG-OG 2.97Å; S207-V221 PolarHBondContact N-O 3.22Å
208V88.6Confident82.8Confident44 Ų4430.8 Ų30.827%0.26719%0.185SC..THydrogen-bonded Turntrans-115.210.4-177.9-62.50000112.9N206 Q210 E245 G260 D261N206-V208 PolarHBondContact O-N 3.19Å; N206-V208 VanDerWaalsContact O-N 3.17Å; V208-Q210 HydrophobicContact CG2-CB 4.43Å; V208-E245 HydrophobicContact CG2-CB 3.92Å; V208-E245 WeakPolarHBondContact CG2-O 3.4Å; V208-G260 CarbonylContact O-C 3.54Å; V208-G260 VanDerWaalsContact O-C 3.29Å; V208-G260 WeakPolarHBondContact O-CA 3.44Å; V208-D261 HydrophobicContact CB-CB 4.31Å; V208-D261 HydrophobicContact CG2-CB 3.98Å
209G89.3Confident81.4Confident0 Ų036.6 Ų36.60%022%0.22CC..SBendtrans86.516.3178.200000115.1N206 L211 A212N206-G209 PolarHBondContact O-N 3.23Å; N206-G209 WeakPolarHBondContact OD1-CA 3.16Å; G209-L211 PolarHBondContact O-N 3.21Å; G209-L211 VanDerWaalsContact O-N 3.11Å; G209-A212 PolarHBondContact O-N 3.21Å
210Q92.3Very high80.4Confident2 Ų241 Ų411%0.00924%0.24CC..THydrogen-bonded Turntrans-67.8-6.3-176.665.7-9251.400115.1H190 S205 N206 V208 E245 T247 F259H190-Q210 HydrophobicContact CB-CG 4.3Å; S205-Q210 WeakPolarHBondContact O-CG 3.49Å; S205-Q210 PolarHBondContact O-NE2 3.32Å; N206-Q210 PolarHBondContact OD1-N 3.17Å; V208-Q210 HydrophobicContact CG2-CB 4.43Å; Q210-E245 WeakPolarHBondContact CB-O 3.16Å; Q210-T247 PolarHBondContact O-OG1 3.49Å; Q210-F259 WeakPolarHBondContact O-CD2 3.24Å; Q210-F259 WeakPolarHBondContact O-CE2 3.36Å
211L92.8Very high79.8Confident0 Ų044.8 Ų44.80%026%0.262CS..THydrogen-bonded Turntrans-100-4.1170.4-62.3-174.7000113.7H190 F192 N206 G209 L213 I223 I229H190-L211 HydrophobicContact CB-CD2 3.95Å; F192-L211 HydrophobicContact CD2-CD2 4.3Å; F192-L211 HydrophobicContact CE2-CD2 3.54Å; F192-L211 HydrophobicContact CZ-CD2 3.9Å; N206-L211 HydrophobicContact CB-CB 4.29Å; N206-L211 HydrophobicContact CB-CD1 4.04Å; N206-L211 HydrophobicContact CB-CG 4.11Å; N206-L211 WeakPolarHBondContact OD1-CB 3.43Å; N206-L211 PolarHBondContact OD1-N 3.38Å; G209-L211 PolarHBondContact O-N 3.21Å; G209-L211 VanDerWaalsContact O-N 3.11Å; L211-L213 VanDerWaalsContact C-N 3.27Å; L211-L213 HydrophobicContact CB-CD2 4.38Å; L211-L213 HydrophobicContact CB-CG 4.05Å; L211-L213 PolarHBondContact O-N 3.26Å; L211-I223 HydrophobicContact CD1-CB 4.21Å; L211-I223 HydrophobicContact CD1-CD1 4.5Å; L211-I223 HydrophobicContact CD1-CG1 4.47Å; L211-I229 VanDerWaalsContact O-CG2 3.3Å; L211-I229 WeakPolarHBondContact O-CG2 3.35Å
212A89.8Confident79.4Confident0 Ų048.2 Ų48.20%028%0.278CS..  trans57.132.2-175.600000115.1G209 S214 I229 A231 F259G209-A212 PolarHBondContact O-N 3.21Å; A212-S214 PolarHBondContact O-N 3.33Å; A212-I229 HydrophobicContact CB-CG2 4.16Å; A212-A231 WeakPolarHBondContact O-CB 3.41Å; A212-F259 HydrophobicContact CB-CB 4.47Å; A212-F259 HydrophobicContact CB-CD1 4.13Å; A212-F259 HydrophobicContact CB-CD2 3.51Å; A212-F259 HydrophobicContact CB-CE1 4.2Å; A212-F259 HydrophobicContact CB-CE2 3.55Å; A212-F259 HydrophobicContact CB-CG 3.79Å; A212-F259 HydrophobicContact CB-CZ 3.92Å
213L85.2Confident79.3Confident15 Ų1548.9 Ų48.98%0.07928%0.282CS..  trans-64.7123.2173.6-56179.4000109.4N206 L211 E220 I223 I229N206-L213 HydrophobicContact CB-CD1 4.27Å; N206-L213 WeakPolarHBondContact ND2-CD1 3.27Å; L211-L213 VanDerWaalsContact C-N 3.27Å; L211-L213 HydrophobicContact CB-CD2 4.38Å; L211-L213 HydrophobicContact CB-CG 4.05Å; L211-L213 PolarHBondContact O-N 3.26Å; L213-E220 HydrophobicContact CD1-CB 4.37Å; L213-I223 HydrophobicContact CD1-CD1 3.39Å; L213-I223 HydrophobicContact CD1-CG1 3.83Å; L213-I223 HydrophobicContact CD2-CD1 3.55Å; L213-I223 HydrophobicContact CG-CD1 4.08Å; L213-I229 HydrophobicContact CD2-CD1 3.67Å
214S62.9Low79.1Confident71 Ų7150.6 Ų50.650%0.49729%0.294SS..  trans-114.5117.6-175.146.30000111.1A212A212-S214 PolarHBondContact O-N 3.33Å
215G56.7Low79Confident48 Ų4856.6 Ų56.650%0.49532%0.32SS..  trans-178.8136.8171.200000109.8N217 S218G215-N217 PolarHBondContact O-N 2.85Å; G215-S218 PolarHBondContact O-N 3.31Å; G215-S218 VanDerWaalsContact O-N 3.1Å; G215-S218 PolarHBondContact O-OG 3.06Å
216E45.8Very low79Confident199 Ų19956.6 Ų56.693%0.9332%0.319SS*.THydrogen-bonded Turntrans-61.3-13.3177.5-70.5-180167.100112.6
217N44Very low79Confident150 Ų15060.5 Ų60.580%0.80234%0.337SS*.THydrogen-bonded Turntrans-118.611.1176.4-69.3-21.7000114.6G215 T219G215-N217 PolarHBondContact O-N 2.85Å; N217-T219 VanDerWaalsContact C-N 3.33Å; N217-T219 PolarHBondContact O-N 3.37Å
218S54.6Low79.1Confident38 Ų3859.6 Ų59.627%0.26633%0.331SS..  trans-7685.2-17968.80000110.7G215 E220G215-S218 PolarHBondContact O-N 3.31Å; G215-S218 VanDerWaalsContact O-N 3.1Å; G215-S218 PolarHBondContact O-OG 3.06Å; S218-E220 PolarHBondContact O-N 3.41Å
219T57.7Low79.3Confident126 Ų12657.6 Ų57.677%0.77332%0.319SS*.  trans-78.66.4172.455.20000112.7N217 V221N217-T219 VanDerWaalsContact C-N 3.33Å; N217-T219 PolarHBondContact O-N 3.37Å; T219-V221 PolarHBondContact O-N 2.94Å
220E71.3Confident79.2Confident111 Ų11163 Ų6352%0.51935%0.348SS..  trans-71.897.9179.4-69.6-171174.500110.7N206 L213 S218 Q222N206-E220 PolarHBondContact ND2-O 3.08Å; L213-E220 HydrophobicContact CD1-CB 4.37Å; S218-E220 PolarHBondContact O-N 3.41Å; E220-Q222 PolarHBondContact O-N 2.78Å
221V81.8Confident79Confident79 Ų7964.1 Ų64.148%0.47936%0.357SS..SBendtrans-73.1-13.8174.8-179.90000111.4N206 S207 T219N206-V221 CarbonylContact C-O 3.54Å; N206-V221 WeakPolarHBondContact CA-O 3.07Å; N206-V221 PolarHBondContact N-O 3.5Å; S207-V221 PolarHBondContact N-O 3.22Å; T219-V221 PolarHBondContact O-N 2.94Å
222Q87.8Confident79Confident76 Ų7664.1 Ų64.136%0.35536%0.357SS..EExtended strand (participates in β ladder)trans-157.8152.8177.164.2-177.87.100112G204 E220G204-Q222 CarbonylContact O-C 3.55Å; G204-Q222 VanDerWaalsContact O-CA 3.24Å; G204-Q222 WeakPolarHBondContact O-CA 3.45Å; E220-Q222 PolarHBondContact O-N 2.78Å
223I92.8Very high78.7Confident13 Ų1368.5 Ų68.57%0.06738%0.377CS..EExtended strand (participates in β ladder)trans-124122.6172.1-71.6-174.1000108.7W203 G204 L211 L213 K225 H227W203-I223 HydrophobicContact CB-CG2 4.21Å; G204-I223 PolarHBondContact N-O 2.95Å; G204-I223 PolarHBondContact O-N 3.02Å; L211-I223 HydrophobicContact CD1-CB 4.21Å; L211-I223 HydrophobicContact CD1-CD1 4.5Å; L211-I223 HydrophobicContact CD1-CG1 4.47Å; L213-I223 HydrophobicContact CD1-CD1 3.39Å; L213-I223 HydrophobicContact CD1-CG1 3.83Å; L213-I223 HydrophobicContact CD2-CD1 3.55Å; L213-I223 HydrophobicContact CG-CD1 4.08Å; I223-K225 WeakPolarHBondContact CG2-O 3.33Å; I223-H227 HydrophobicContact CD1-CB 3.82Å; I223-H227 HydrophobicContact CG2-CB 3.81Å
224S93.9Very high78.6Confident37 Ų3774.8 Ų74.826%0.25941%0.41SS..EExtended strand (participates in β ladder)trans-92.6-6.6-172.566.40000115.9G159 G161 M162G159-S224 CarbonylContact C-O 3.37Å; G159-S224 VanDerWaalsContact C-O 3.3Å; G159-S224 WeakPolarHBondContact CA-O 3.17Å; G161-S224 WeakPolarHBondContact CA-O 3.1Å; G161-S224 PolarHBondContact N-O 2.66Å; M162-S224 VanDerWaalsContact CG-CB 3.5Å
225K94.2Very high79.8Confident126 Ų12673.5 Ų73.555%0.54840%0.397SS..EExtended strand (participates in β ladder)trans-136.6142.6176.6-68-175.4178.5-177.50109.3I223 H227I223-K225 WeakPolarHBondContact CG2-O 3.33Å; K225-H227 PolarHBondContact O-N 3.22Å
226P95.5Very high81.3Confident6 Ų672.1 Ų72.14%0.03938%0.383CS..EExtended strand (participates in β ladder)trans-41.2122176.4-31.731.2000113.2G159 V173 S175 L176 W203 H473G159-P226 WeakPolarHBondContact O-CD 3.37Å; V173-P226 HydrophobicContact CG1-CG 3.7Å; S175-P226 WeakPolarHBondContact OG-CD 3.3Å; S175-P226 VanDerWaalsContact OG-CG 3.25Å; S175-P226 WeakPolarHBondContact OG-CG 3.44Å; L176-P226 HydrophobicContact CD1-CB 4.31Å; L176-P226 HydrophobicContact CD1-CG 3.92Å; L176-P226 HydrophobicContact CD2-CB 3.62Å; L176-P226 HydrophobicContact CD2-CG 4.11Å; L176-P226 HydrophobicContact CG-CB 3.85Å; L176-P226 HydrophobicContact CG-CG 3.74Å; W203-P226 HydrophobicContact CD2-CB 4.25Å; W203-P226 HydrophobicContact CD2-CG 3.74Å; W203-P226 HydrophobicContact CE3-CB 3.7Å; W203-P226 HydrophobicContact CE3-CG 3.62Å; W203-P226 HydrophobicContact CG-CG 4.27Å; W203-P226 HydrophobicContact CH2-CG 4.45Å; W203-P226 HydrophobicContact CZ3-CB 4.1Å; W203-P226 HydrophobicContact CZ3-CG 3.98Å; P226-H473 PolarHBondContact O-NE2 3.48Å
227H92.8Very high83.5Confident83 Ų8362.8 Ų62.838%0.38434%0.34SS..EExtended strand (participates in β ladder)trans-124.4138-178.3-177.481.1000109.9Y201 G202 I223 K225 I229Y201-H227 CarbonylContact C-O 3.55Å; Y201-H227 WeakPolarHBondContact CA-O 3.3Å; G202-H227 PolarHBondContact N-O 2.96Å; G202-H227 PolarHBondContact O-N 2.82Å; I223-H227 HydrophobicContact CD1-CB 3.82Å; I223-H227 HydrophobicContact CG2-CB 3.81Å; K225-H227 PolarHBondContact O-N 3.22Å; H227-I229 PolarHBondContact O-N 2.99Å
228S92.3Very high85.8Confident27 Ų2758.4 Ų58.419%0.18932%0.316CS..EExtended strand (participates in β ladder)trans-70.9125.4178.2-168.70000110T199 D230T199-S228 VanDerWaalsContact CG2-OG 3.22Å; T199-S228 WeakPolarHBondContact CG2-OG 3.22Å; S228-D230 PolarHBondContact O-N 3.16Å
229I91.9Very high87.7Confident3 Ų357.5 Ų57.52%0.01531%0.307CS..  trans-90.795.6-176.7-50.8-55.6000109.4F192 S200 L211 A212 L213 H227 A231 L232F192-I229 HydrophobicContact CE1-CG1 3.89Å; F192-I229 HydrophobicContact CZ-CG1 4.43Å; S200-I229 PolarHBondContact O-N 3.09Å; L211-I229 VanDerWaalsContact O-CG2 3.3Å; L211-I229 WeakPolarHBondContact O-CG2 3.35Å; A212-I229 HydrophobicContact CB-CG2 4.16Å; L213-I229 HydrophobicContact CD2-CD1 3.67Å; H227-I229 PolarHBondContact O-N 2.99Å; I229-A231 HydrophobicContact CG2-CB 4.32Å; I229-A231 PolarHBondContact O-N 2.85Å; I229-A231 VanDerWaalsContact O-N 3.16Å; I229-L232 HydrophobicContact CB-CD1 4.11Å; I229-L232 HydrophobicContact CB-CG 4.29Å; I229-L232 HydrophobicContact CG2-CB 4.46Å; I229-L232 HydrophobicContact CG2-CD1 3.94Å; I229-L232 HydrophobicContact CG2-CG 3.83Å; I229-L232 PolarHBondContact O-N 3.38Å
230D87.9Confident89.6Confident113 Ų11351.5 Ų51.560%0.60427%0.27SS*.Hα-helixtrans-55.5-34.9-176.7-74.2-33000113.3S228 L232 K233S228-D230 PolarHBondContact O-N 3.16Å; D230-L232 PolarHBondContact O-N 2.84Å; D230-L232 VanDerWaalsContact O-N 3.09Å; D230-K233 WeakPolarHBondContact O-CB 3.03Å; D230-K233 PolarHBondContact O-N 3.13Å; D230-K233 VanDerWaalsContact O-N 3.13Å
231A88.8Confident90.8Very high25 Ų2546.6 Ų46.621%0.20725%0.248CC..Hα-helixtrans-59.8-22.4178.600000113.7A212 I229 P278A212-A231 WeakPolarHBondContact O-CB 3.41Å; I229-A231 HydrophobicContact CG2-CB 4.32Å; I229-A231 PolarHBondContact O-N 2.85Å; I229-A231 VanDerWaalsContact O-N 3.16Å; A231-P278 HydrophobicContact CB-CG 3.94Å
232L90.8Very high91.5Very high0 Ų043.5 Ų43.50%023%0.229CC..Hα-helixtrans-100-13.8-178.4-59.8180000113.1F192 I229 D230 N234 L235 V237 V249 F259 P278F192-L232 HydrophobicContact CE1-CD1 4.17Å; I229-L232 HydrophobicContact CB-CD1 4.11Å; I229-L232 HydrophobicContact CB-CG 4.29Å; I229-L232 HydrophobicContact CG2-CB 4.46Å; I229-L232 HydrophobicContact CG2-CD1 3.94Å; I229-L232 HydrophobicContact CG2-CG 3.83Å; I229-L232 PolarHBondContact O-N 3.38Å; D230-L232 PolarHBondContact O-N 2.84Å; D230-L232 VanDerWaalsContact O-N 3.09Å; L232-N234 VanDerWaalsContact C-N 3.29Å; L232-N234 PolarHBondContact O-N 3.33Å; L232-L235 HydrophobicContact CD2-CD1 3.8Å; L232-L235 PolarHBondContact O-N 2.96Å; L232-L235 VanDerWaalsContact O-N 3.15Å; L232-V237 HydrophobicContact CB-CG2 4.28Å; L232-V249 HydrophobicContact CD1-CG1 4.38Å; L232-V249 HydrophobicContact CD2-CG2 4.21Å; L232-F259 HydrophobicContact CD1-CE1 4.45Å; L232-F259 HydrophobicContact CD1-CZ 4.04Å; L232-F259 HydrophobicContact CD2-CE1 3.95Å; L232-F259 HydrophobicContact CD2-CZ 4.33Å; L232-P278 HydrophobicContact CD2-CB 3.8Å; L232-P278 HydrophobicContact CD2-CG 3.99Å
233K85.1Confident91.8Very high93 Ų9340.1 Ų40.140%0.40422%0.215SC..Hα-helixtrans-56.3-40.7-169.8-169.3174.8-176.2176.10113.2D230D230-K233 WeakPolarHBondContact O-CB 3.03Å; D230-K233 PolarHBondContact O-N 3.13Å; D230-K233 VanDerWaalsContact O-N 3.13Å
234N82.9Confident91.8Very high146 Ų14642.8 Ų42.878%0.78123%0.225SC*.THydrogen-bonded Turntrans-94.50.8-174.5-64.5-18.6000114.1L232L232-N234 VanDerWaalsContact C-N 3.29Å; L232-N234 PolarHBondContact O-N 3.33Å
235L88.1Confident91.8Very high44 Ų4443.7 Ų43.723%0.2323%0.225CC..THydrogen-bonded Turntrans-84.1-11.7-178.1-59.5-176.8000113.1L232 V237 T251 F257 P278L232-L235 HydrophobicContact CD2-CD1 3.8Å; L232-L235 PolarHBondContact O-N 2.96Å; L232-L235 VanDerWaalsContact O-N 3.15Å; L235-V237 HydrophobicContact CB-CG2 4.12Å; L235-T251 HydrophobicContact CB-CG2 4.05Å; L235-T251 VanDerWaalsContact O-CB 3.29Å; L235-T251 WeakPolarHBondContact O-CB 3.48Å; L235-T251 WeakPolarHBondContact O-CG2 3.19Å; L235-F257 HydrophobicContact CD1-CD1 4.08Å; L235-F257 HydrophobicContact CD1-CD2 4.17Å; L235-F257 HydrophobicContact CD1-CE1 4.29Å; L235-F257 HydrophobicContact CD1-CE2 4.39Å; L235-F257 HydrophobicContact CD1-CG 4.03Å; L235-F257 HydrophobicContact CD1-CZ 4.45Å; L235-F257 HydrophobicContact CD2-CE1 4.06Å; L235-F257 HydrophobicContact CD2-CE2 4.29Å; L235-F257 HydrophobicContact CD2-CZ 3.86Å; L235-P278 HydrophobicContact CD1-CB 4.26Å; L235-P278 HydrophobicContact CD1-CG 4.25Å
236G88Confident91.7Very high19 Ų1937.7 Ų37.720%0.19620%0.199CC..THydrogen-bonded Turntrans64.942.6-177.200000112.5I238 T251 K252G236-I238 PolarHBondContact O-N 3.49Å; G236-T251 WeakPolarHBondContact O-CA 3.24Å; G236-K252 PolarHBondContact O-N 2.9Å
237V92.3Very high91.8Very high3 Ų337.4 Ų37.42%0.01820%0.197CC..EExtended strand (participates in β ladder)trans-57.7133.2179.5-179.20000110.9L194 L232 L235 I240 V249L194-V237 HydrophobicContact CD1-CB 4.27Å; L194-V237 HydrophobicContact CD1-CG1 3.95Å; L194-V237 HydrophobicContact CD2-CG1 4.34Å; L232-V237 HydrophobicContact CB-CG2 4.28Å; L235-V237 HydrophobicContact CB-CG2 4.12Å; V237-I240 HydrophobicContact CG1-CD1 4.37Å; V237-I240 HydrophobicContact CG1-CG1 3.84Å; V237-V249 HydrophobicContact CG1-CB 4.04Å; V237-V249 HydrophobicContact CG1-CG1 4.41Å; V237-V249 HydrophobicContact CG2-CB 4.25Å; V237-V249 HydrophobicContact CG2-CG2 4.24Å
238I92Very high91.9Very high59 Ų5933.4 Ų33.430%0.30318%0.179SC..EExtended strand (participates in β ladder)trans-120.1-15.317760.4165.1000113.1L194 G236 L250 K252 M372L194-I238 VanDerWaalsContact CD2-C 3.4Å; L194-I238 WeakPolarHBondContact CD2-O 3.28Å; G236-I238 PolarHBondContact O-N 3.49Å; I238-L250 HydrophobicContact CD1-CD2 4.22Å; I238-L250 HydrophobicContact CD1-CG 4.22Å; I238-L250 HydrophobicContact CG1-CD2 4.47Å; I238-L250 HydrophobicContact CG1-CG 4.17Å; I238-L250 VanDerWaalsContact CG1-O 3.27Å; I238-L250 WeakPolarHBondContact CG1-O 3.45Å; I238-L250 PolarHBondContact N-O 2.77Å; I238-K252 HydrophobicContact CG2-CB 3.99Å; I238-M372 HydrophobicContact CD1-CE 3.47Å; I238-M372 VanDerWaalsContact CD1-CE 3.47Å
239Y95.1Very high92.1Very high18 Ų1832.1 Ų32.17%0.07117%0.17CC..EExtended strand (participates in β ladder)trans-157.3141.8-179.6-175.5-96.7000111.1Q183 V249 L250 I291 E292 K373 L375Q183-Y239 VanDerWaalsContact OE1-CD2 3.27Å; Y239-V249 WeakPolarHBondContact O-CA 3.25Å; Y239-L250 PolarHBondContact N-O 2.85Å; Y239-L250 PolarHBondContact O-N 3.2Å; Y239-I291 HydrophobicContact CD1-CD1 4.15Å; Y239-I291 HydrophobicContact CD1-CG1 3.56Å; Y239-I291 HydrophobicContact CE1-CG1 3.91Å; Y239-I291 WeakPolarHBondContact CE1-O 3.37Å; Y239-E292 PolarHBondContact OH-OE2 3.1Å; Y239-K373 HydrophobicContact CD2-CD 4.09Å; Y239-K373 HydrophobicContact CE1-CD 4.26Å; Y239-K373 HydrophobicContact CE2-CD 3.65Å; Y239-K373 PolarHBondContact OH-NZ 3.47Å; Y239-L375 HydrophobicContact CD2-CD1 4.13Å; Y239-L375 HydrophobicContact CD2-CD2 3.62Å; Y239-L375 HydrophobicContact CD2-CG 4.14Å; Y239-L375 HydrophobicContact CE2-CD2 3.52Å
240I96.7Very high92.2Very high1 Ų132.1 Ų32.11%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-125.8134.8178.6-54.7-178.4000109.2Q183 A185 F192 L194 V237 T247 V249Q183-I240 PolarHBondContact NE2-O 3.48Å; Q183-I240 PolarHBondContact OE1-O 3.46Å; A185-I240 HydrophobicContact CB-CG2 4.43Å; F192-I240 HydrophobicContact CB-CD1 4.27Å; F192-I240 HydrophobicContact CB-CG2 4.08Å; F192-I240 HydrophobicContact CD1-CD1 3.89Å; F192-I240 HydrophobicContact CG-CD1 4.36Å; F192-I240 HydrophobicContact CG-CG2 4.16Å; L194-I240 HydrophobicContact CB-CD1 4.1Å; L194-I240 HydrophobicContact CB-CG1 4.48Å; L194-I240 HydrophobicContact CD1-CD1 4.32Å; V237-I240 HydrophobicContact CG1-CD1 4.37Å; V237-I240 HydrophobicContact CG1-CG1 3.84Å; I240-T247 HydrophobicContact CG2-CG2 3.75Å; I240-V249 HydrophobicContact CB-CG1 4.48Å; I240-V249 HydrophobicContact CG1-CG1 4Å; I240-V249 HydrophobicContact CG2-CG1 4.24Å
241S96.5Very high92.4Very high8 Ų826.7 Ų26.76%0.05614%0.141CC..EExtended strand (participates in β ladder)trans-127.3136.2168.7-163.20000109.8A248 E292 C293S241-A248 PolarHBondContact N-O 2.97Å; S241-A248 PolarHBondContact O-N 3.13Å; S241-E292 PolarHBondContact OG-OE2 3.46Å; S241-C293 VanDerWaalsContact C-SG 3.55Å; S241-C293 PolarHBondContact O-SG 3.02Å; S241-C293 PolarHBondContact OG-N 2.87Å
242C96.5Very high92.4Very high13 Ų1331.5 Ų31.59%0.08816%0.157CC..EExtended strand (participates in β ladder)trans-114.2127.2-175.4-63.70000109.6
243G94.3Very high92.2Very high6 Ų635.1 Ų35.16%0.06218%0.177CC..  trans-92.5-157.1171.100000111.7G187 G188 H246 G294G187-G243 CarbonylContact C-O 3.54Å; G187-G243 WeakPolarHBondContact CA-O 3.25Å; G188-G243 PolarHBondContact N-O 3.27Å; G188-G243 VanDerWaalsContact N-O 3.1Å; G243-H246 PolarHBondContact N-O 3.39Å; G243-G294 WeakPolarHBondContact CA-O 3.44Å
244Y92.6Very high92.5Very high68 Ų6831 Ų3127%0.26716%0.16SC..SBendtrans-64.2-61.1179.8176.9-149.3000111.2H135 G188 S295 Y296H135-Y244 AromaticContact CE1-CD2 2.94Å; H135-Y244 WeakPolarHBondContact CE1-CD2 3.3Å; H135-Y244 AromaticContact CE1-CE2 3.14Å; H135-Y244 WeakPolarHBondContact CE1-CE2 3.29Å; H135-Y244 AromaticContact CE1-CG 3.64Å; H135-Y244 AromaticContact CE1-CZ 3.91Å; H135-Y244 AromaticContact ND1-CD2 3.55Å; H135-Y244 AromaticContact ND1-CE2 3.38Å; H135-Y244 WeakPolarHBondContact ND1-CE2 3.48Å; H135-Y244 AromaticContact NE2-CD2 3.42Å; H135-Y244 WeakPolarHBondContact NE2-CD2 3.43Å; H135-Y244 AromaticContact NE2-CG 3.95Å; G188-Y244 VanDerWaalsContact CA-O 3.25Å; G188-Y244 WeakPolarHBondContact CA-O 3.22Å; G188-Y244 PolarHBondContact N-O 3.18Å; Y244-S295 WeakPolarHBondContact CB-O 3.39Å; Y244-S295 PolarHBondContact N-O 3.36Å; Y244-S295 VanDerWaalsContact N-O 3.13Å; Y244-Y296 AromaticContact CD1-CE1 3.73Å; Y244-Y296 HydrophobicContact CD1-CE1 3.73Å; Y244-Y296 HydrophobicContact CE1-CE1 4.43Å
245E92.9Very high92.9Very high56 Ų5627.8 Ų27.826%0.26214%0.141SC..SBendtrans-12922.5-178.7-60.6-171.8130.800112.1V208 Q210 D261V208-E245 HydrophobicContact CG2-CB 3.92Å; V208-E245 WeakPolarHBondContact CG2-O 3.4Å; Q210-E245 WeakPolarHBondContact CB-O 3.16Å; E245-D261 HydrophobicContact CB-CB 3.82Å; E245-D261 PolarHBondContact O-N 2.97Å
246H93.6Very high93.2Very high0 Ų025.9 Ų25.90%013%0.131CC..EExtended strand (participates in β ladder)trans-138.5162.9175.974.4-77.1000111.6G243 F259 Q266 L267 G294 T298G243-H246 PolarHBondContact N-O 3.39Å; H246-F259 CarbonylContact C-O 3.49Å; H246-F259 WeakPolarHBondContact CA-O 3.34Å; H246-Q266 HydrophobicContact CB-CG 4.08Å; H246-L267 HydrophobicContact CB-CD2 4.14Å; H246-G294 PolarHBondContact CE1-O 3.32Å; H246-T298 PolarHBondContact CD2-OG1 2.86Å; H246-T298 PolarHBondContact NE2-OG1 2.88Å; H246-T298 VanDerWaalsContact NE2-OG1 3.07Å
247T96.2Very high93.4Very high0 Ų026 Ų260%013%0.126CC..EExtended strand (participates in β ladder)trans-135.3139.4178.2-56.40000109.2H190 F192 Q210 I240 V249 T258 F259H190-T247 PolarHBondContact NE2-OG1 3.46Å; F192-T247 HydrophobicContact CD2-CG2 4.24Å; F192-T247 HydrophobicContact CE2-CG2 3.94Å; F192-T247 HydrophobicContact CZ-CG2 4.38Å; Q210-T247 PolarHBondContact O-OG1 3.49Å; I240-T247 HydrophobicContact CG2-CG2 3.75Å; T247-V249 HydrophobicContact CG2-CG1 4.38Å; T247-T258 WeakPolarHBondContact O-CA 3.38Å; T247-F259 VanDerWaalsContact CB-CE2 3.42Å; T247-F259 HydrophobicContact CG2-CE1 4.27Å; T247-F259 HydrophobicContact CG2-CE2 3.8Å; T247-F259 HydrophobicContact CG2-CZ 3.53Å; T247-F259 PolarHBondContact N-O 3.19Å; T247-F259 PolarHBondContact O-N 2.61Å
248A95.6Very high93.4Very high0 Ų025.9 Ų25.90%013%0.125CC..EExtended strand (participates in β ladder)trans-119.9140172.100000110.2S241 F257 T258 I291 C293 T298S241-A248 PolarHBondContact N-O 2.97Å; S241-A248 PolarHBondContact O-N 3.13Å; A248-F257 CarbonylContact C-O 3.59Å; A248-F257 VanDerWaalsContact CA-O 3.31Å; A248-F257 WeakPolarHBondContact CA-O 3.32Å; A248-T258 HydrophobicContact CB-CG2 3.91Å; A248-I291 HydrophobicContact CB-CD1 3.91Å; A248-C293 WeakPolarHBondContact CB-SG 3.48Å; A248-T298 HydrophobicContact CB-CG2 3.79Å
249V96Very high93.5Very high0 Ų023.2 Ų23.20%011%0.111CC..EExtended strand (participates in β ladder)trans-126.2141177.9-560000110.6L232 V237 Y239 I240 T247 V256 F257 F259 I291L232-V249 HydrophobicContact CD1-CG1 4.38Å; L232-V249 HydrophobicContact CD2-CG2 4.21Å; V237-V249 HydrophobicContact CG1-CB 4.04Å; V237-V249 HydrophobicContact CG1-CG1 4.41Å; V237-V249 HydrophobicContact CG2-CB 4.25Å; V237-V249 HydrophobicContact CG2-CG2 4.24Å; Y239-V249 WeakPolarHBondContact O-CA 3.25Å; I240-V249 HydrophobicContact CB-CG1 4.48Å; I240-V249 HydrophobicContact CG1-CG1 4Å; I240-V249 HydrophobicContact CG2-CG1 4.24Å; T247-V249 HydrophobicContact CG2-CG1 4.38Å; V249-V256 WeakPolarHBondContact O-CA 3.46Å; V249-F257 HydrophobicContact CG2-CB 3.64Å; V249-F257 HydrophobicContact CG2-CG 4.5Å; V249-F257 PolarHBondContact N-O 3Å; V249-F257 PolarHBondContact O-N 2.77Å; V249-F259 HydrophobicContact CG1-CE1 3.97Å; V249-F259 HydrophobicContact CG1-CZ 4.18Å; V249-F259 HydrophobicContact CG2-CE1 4.39Å; V249-I291 VanDerWaalsContact C-CD1 3.47Å
250L94.7Very high93.3Very high2 Ų222.8 Ų22.81%0.0111%0.113CC..EExtended strand (participates in β ladder)trans-110133.7176.117567.7000109I238 Y239 Q255 V256 V288 I291I238-L250 HydrophobicContact CD1-CD2 4.22Å; I238-L250 HydrophobicContact CD1-CG 4.22Å; I238-L250 HydrophobicContact CG1-CD2 4.47Å; I238-L250 HydrophobicContact CG1-CG 4.17Å; I238-L250 VanDerWaalsContact CG1-O 3.27Å; I238-L250 WeakPolarHBondContact CG1-O 3.45Å; I238-L250 PolarHBondContact N-O 2.77Å; Y239-L250 PolarHBondContact N-O 2.85Å; Y239-L250 PolarHBondContact O-N 3.2Å; L250-Q255 WeakPolarHBondContact CA-O 3.29Å; L250-Q255 WeakPolarHBondContact CD1-O 3.46Å; L250-V256 HydrophobicContact CD1-CG2 4.2Å; L250-V288 HydrophobicContact CD1-CB 3.91Å; L250-V288 HydrophobicContact CD1-CG1 3.85Å; L250-I291 HydrophobicContact CB-CD1 3.76Å; L250-I291 HydrophobicContact CB-CG1 3.97Å; L250-I291 HydrophobicContact CB-CG2 4.41Å
251T92.5Very high92.9Very high0 Ų024.2 Ų24.20%012%0.12CC..EExtended strand (participates in β ladder)trans-101.3164-177.861.70000112.1L235 G236 D253 G254 Q255 F257L235-T251 HydrophobicContact CB-CG2 4.05Å; L235-T251 VanDerWaalsContact O-CB 3.29Å; L235-T251 WeakPolarHBondContact O-CB 3.48Å; L235-T251 WeakPolarHBondContact O-CG2 3.19Å; G236-T251 WeakPolarHBondContact O-CA 3.24Å; T251-D253 WeakPolarHBondContact CB-OD1 3.21Å; T251-D253 PolarHBondContact O-N 3.07Å; T251-D253 PolarHBondContact OG1-OD1 2.86Å; T251-G254 PolarHBondContact O-N 2.84Å; T251-Q255 PolarHBondContact N-O 3.11Å; T251-Q255 WeakPolarHBondContact OG1-CA 3.12Å; T251-Q255 VanDerWaalsContact OG1-CB 3.32Å; T251-Q255 WeakPolarHBondContact OG1-CB 3.26Å; T251-Q255 PolarHBondContact OG1-N 3.02Å; T251-Q255 PolarHBondContact OG1-O 3.27Å; T251-Q255 VanDerWaalsContact OG1-O 3.12Å; T251-F257 HydrophobicContact CG2-CD2 3.86Å; T251-F257 HydrophobicContact CG2-CE2 3.79Å
252K87.8Confident92.5Very high126 Ų12625.6 Ų25.655%0.54813%0.127SC..THydrogen-bonded Turntrans-58.6-29.7179.8-171.3-176.9178.8-169.10113.4G236 I238 G254 R423G236-K252 PolarHBondContact O-N 2.9Å; I238-K252 HydrophobicContact CG2-CB 3.99Å; K252-G254 VanDerWaalsContact C-N 3.3Å; K252-R423 PolarHBondContact NZ-O 3.2Å
253D87.5Confident91.9Very high76 Ų7629.4 Ų29.441%0.40615%0.154SC..THydrogen-bonded Turntrans-87.14.4178.163.2-31.2000113.7T251 Q255T251-D253 WeakPolarHBondContact CB-OD1 3.21Å; T251-D253 PolarHBondContact O-N 3.07Å; T251-D253 PolarHBondContact OG1-OD1 2.86Å; D253-Q255 WeakPolarHBondContact OD2-CG 3.22Å; D253-Q255 PolarHBondContact OD2-OE1 2.68Å
254G90.1Very high91.4Very high6 Ų630.7 Ų30.76%0.06216%0.162CC..SBendtrans80.222174.600000114.1T251 K252 V288T251-G254 PolarHBondContact O-N 2.84Å; K252-G254 VanDerWaalsContact C-N 3.3Å; G254-V288 WeakPolarHBondContact CA-O 3.35Å; G254-V288 WeakPolarHBondContact O-CB 3.46Å; G254-V288 PolarHBondContact O-N 3.29Å
255Q92.2Very high90.9Very high79 Ų7928.6 Ų28.637%0.36916%0.161SC..  trans-88.9152.7172.3-58.1-177.9-28.800110.8L250 T251 D253 F257 L280L250-Q255 WeakPolarHBondContact CA-O 3.29Å; L250-Q255 WeakPolarHBondContact CD1-O 3.46Å; T251-Q255 PolarHBondContact N-O 3.11Å; T251-Q255 WeakPolarHBondContact OG1-CA 3.12Å; T251-Q255 VanDerWaalsContact OG1-CB 3.32Å; T251-Q255 WeakPolarHBondContact OG1-CB 3.26Å; T251-Q255 PolarHBondContact OG1-N 3.02Å; T251-Q255 PolarHBondContact OG1-O 3.27Å; T251-Q255 VanDerWaalsContact OG1-O 3.12Å; D253-Q255 WeakPolarHBondContact OD2-CG 3.22Å; D253-Q255 PolarHBondContact OD2-OE1 2.68Å; Q255-F257 HydrophobicContact CB-CE2 3.94Å; Q255-L280 HydrophobicContact CB-CD1 3.91Å; Q255-L280 HydrophobicContact CG-CD1 4.37Å
256V93.4Very high90.4Very high4 Ų426 Ų262%0.02415%0.149CC..EExtended strand (participates in β ladder)trans-118.4127.7179.1-178.30000108.9V249 L250 T258 V281 I284 V288 I291V249-V256 WeakPolarHBondContact O-CA 3.46Å; L250-V256 HydrophobicContact CD1-CG2 4.2Å; V256-T258 HydrophobicContact CG1-CG2 4.19Å; V256-V281 HydrophobicContact CB-CB 4.43Å; V256-V281 HydrophobicContact CB-CG2 4.31Å; V256-V281 HydrophobicContact CG1-CG2 4.06Å; V256-V281 PolarHBondContact O-N 3.47Å; V256-I284 HydrophobicContact CG2-CD1 4.47Å; V256-V288 HydrophobicContact CG2-CB 3.81Å; V256-V288 HydrophobicContact CG2-CG1 3.78Å; V256-V288 HydrophobicContact CG2-CG2 3.69Å; V256-I291 HydrophobicContact CG1-CG2 4.16Å; V256-I291 HydrophobicContact CG2-CG2 3.68Å
257F93.1Very high89.8Confident22 Ų2226.5 Ų26.510%0.09615%0.151CC..EExtended strand (participates in β ladder)trans-115.5141.6171.6-64.5-107.5000109.9L235 A248 V249 T251 Q255 P278 Q279 L280L235-F257 HydrophobicContact CD1-CD1 4.08Å; L235-F257 HydrophobicContact CD1-CD2 4.17Å; L235-F257 HydrophobicContact CD1-CE1 4.29Å; L235-F257 HydrophobicContact CD1-CE2 4.39Å; L235-F257 HydrophobicContact CD1-CG 4.03Å; L235-F257 HydrophobicContact CD1-CZ 4.45Å; L235-F257 HydrophobicContact CD2-CE1 4.06Å; L235-F257 HydrophobicContact CD2-CE2 4.29Å; L235-F257 HydrophobicContact CD2-CZ 3.86Å; A248-F257 CarbonylContact C-O 3.59Å; A248-F257 VanDerWaalsContact CA-O 3.31Å; A248-F257 WeakPolarHBondContact CA-O 3.32Å; V249-F257 HydrophobicContact CG2-CB 3.64Å; V249-F257 HydrophobicContact CG2-CG 4.5Å; V249-F257 PolarHBondContact N-O 3Å; V249-F257 PolarHBondContact O-N 2.77Å; T251-F257 HydrophobicContact CG2-CD2 3.86Å; T251-F257 HydrophobicContact CG2-CE2 3.79Å; Q255-F257 HydrophobicContact CB-CE2 3.94Å; F257-P278 HydrophobicContact CB-CB 4.24Å; F257-P278 HydrophobicContact CD1-CB 4.38Å; F257-Q279 CarbonylContact C-O 3.49Å; F257-Q279 WeakPolarHBondContact CA-O 3.36Å; F257-L280 HydrophobicContact CD1-CB 4.02Å; F257-L280 HydrophobicContact CD2-CD1 4.37Å; F257-L280 HydrophobicContact CE1-CB 3.69Å; F257-L280 HydrophobicContact CE1-CD1 4.18Å; F257-L280 HydrophobicContact CE1-CG 4.49Å; F257-L280 HydrophobicContact CE2-CD1 3.91Å; F257-L280 HydrophobicContact CZ-CB 4.16Å; F257-L280 HydrophobicContact CZ-CD1 3.8Å; F257-L280 HydrophobicContact CZ-CG 4.49Å
258T93.2Very high88.8Confident0 Ų028.4 Ų28.40%016%0.16CC..EExtended strand (participates in β ladder)trans-131.7149.2-179.363.20000110.8T247 A248 V256 L267 Q279 V281 L311T247-T258 WeakPolarHBondContact O-CA 3.38Å; A248-T258 HydrophobicContact CB-CG2 3.91Å; V256-T258 HydrophobicContact CG1-CG2 4.19Å; T258-L267 VanDerWaalsContact CB-CD2 3.48Å; T258-Q279 PolarHBondContact N-O 3.25Å; T258-Q279 PolarHBondContact O-N 2.73Å; T258-V281 HydrophobicContact CG2-CG2 3.69Å; T258-L311 HydrophobicContact CG2-CD1 4.43Å
259F92.5Very high87.2Confident2 Ų233.2 Ų33.21%0.00919%0.186CC..EExtended strand (participates in β ladder)trans-159.5156.1179.347-87.3000112.1F192 Q210 A212 L232 H246 T247 V249 G277 P278F192-F259 HydrophobicContact CE2-CE2 4.46Å; F192-F259 HydrophobicContact CZ-CE2 4.04Å; F192-F259 HydrophobicContact CZ-CZ 4.22Å; Q210-F259 WeakPolarHBondContact O-CD2 3.24Å; Q210-F259 WeakPolarHBondContact O-CE2 3.36Å; A212-F259 HydrophobicContact CB-CB 4.47Å; A212-F259 HydrophobicContact CB-CD1 4.13Å; A212-F259 HydrophobicContact CB-CD2 3.51Å; A212-F259 HydrophobicContact CB-CE1 4.2Å; A212-F259 HydrophobicContact CB-CE2 3.55Å; A212-F259 HydrophobicContact CB-CG 3.79Å; A212-F259 HydrophobicContact CB-CZ 3.92Å; L232-F259 HydrophobicContact CD1-CE1 4.45Å; L232-F259 HydrophobicContact CD1-CZ 4.04Å; L232-F259 HydrophobicContact CD2-CE1 3.95Å; L232-F259 HydrophobicContact CD2-CZ 4.33Å; H246-F259 CarbonylContact C-O 3.49Å; H246-F259 WeakPolarHBondContact CA-O 3.34Å; T247-F259 VanDerWaalsContact CB-CE2 3.42Å; T247-F259 HydrophobicContact CG2-CE1 4.27Å; T247-F259 HydrophobicContact CG2-CE2 3.8Å; T247-F259 HydrophobicContact CG2-CZ 3.53Å; T247-F259 PolarHBondContact N-O 3.19Å; T247-F259 PolarHBondContact O-N 2.61Å; V249-F259 HydrophobicContact CG1-CE1 3.97Å; V249-F259 HydrophobicContact CG1-CZ 4.18Å; V249-F259 HydrophobicContact CG2-CE1 4.39Å; F259-G277 WeakPolarHBondContact CB-O 3.47Å; F259-P278 HydrophobicContact CD1-CB 3.79Å; F259-P278 HydrophobicContact CE1-CB 4.18Å
260G91.3Very high85.4Confident10 Ų1035.6 Ų35.610%0.10320%0.199CC..EExtended strand (participates in β ladder)trans118.7-145.5-177.600000112.9V208 L267V208-G260 CarbonylContact O-C 3.54Å; V208-G260 VanDerWaalsContact O-C 3.29Å; V208-G260 WeakPolarHBondContact O-CA 3.44Å; G260-L267 VanDerWaalsContact O-CD1 3.29Å; G260-L267 WeakPolarHBondContact O-CD1 3.43Å
261D88.4Confident83.5Confident30 Ų3041.7 Ų41.716%0.1624%0.239CC..  trans-63.7146.2174.1179.146.1000111.2V208 E245 S263 Q266 L267V208-D261 HydrophobicContact CB-CB 4.31Å; V208-D261 HydrophobicContact CG2-CB 3.98Å; E245-D261 HydrophobicContact CB-CB 3.82Å; E245-D261 PolarHBondContact O-N 2.97Å; D261-S263 WeakPolarHBondContact OD1-CB 3.41Å; D261-S263 PolarHBondContact OD1-N 2.89Å; D261-S263 VanDerWaalsContact OD2-CB 3.29Å; D261-S263 WeakPolarHBondContact OD2-CB 3.23Å; D261-S263 PolarHBondContact OD2-N 2.89Å; D261-S263 VanDerWaalsContact OD2-N 3.11Å; D261-S263 PolarHBondContact OD2-OG 2.88Å; D261-Q266 VanDerWaalsContact O-CD 3.25Å; D261-Q266 WeakPolarHBondContact O-CG 3.5Å; D261-Q266 PolarHBondContact O-NE2 3.03Å; D261-Q266 PolarHBondContact OD2-NE2 3.43Å; D261-L267 WeakPolarHBondContact O-CG 3.15Å
262N87.6Confident81.6Confident38 Ų3853.1 Ų53.120%0.20328%0.282CS..  trans-128.419.2172.2-160.221.5000113.4S264 G265 Q266 L267 N269N262-S264 PolarHBondContact O-N 3.47Å; N262-S264 VanDerWaalsContact O-N 3.15Å; N262-G265 PolarHBondContact O-N 2.83Å; N262-G265 VanDerWaalsContact O-N 3.13Å; N262-G265 WeakPolarHBondContact OD1-CA 3.47Å; N262-Q266 PolarHBondContact OD1-N 3.27Å; N262-Q266 VanDerWaalsContact OD1-N 3.15Å; N262-L267 HydrophobicContact CB-CB 4.06Å; N262-L267 HydrophobicContact CB-CD1 3.99Å; N262-L267 HydrophobicContact CB-CG 3.92Å; N262-L267 PolarHBondContact ND2-O 3.28Å; N262-L267 WeakPolarHBondContact OD1-CA 3.05Å; N262-L267 WeakPolarHBondContact OD1-CB 3.32Å; N262-L267 PolarHBondContact OD1-N 2.79Å; N262-L267 PolarHBondContact OD1-O 2.98Å; N262-N269 PolarHBondContact ND2-OD1 2.85Å
263S85Confident80Confident92 Ų9248.3 Ų48.364%0.64327%0.268SS*.THydrogen-bonded Turntrans-59.7-27.5-175.567.30000113.7D261D261-S263 WeakPolarHBondContact OD1-CB 3.41Å; D261-S263 PolarHBondContact OD1-N 2.89Å; D261-S263 VanDerWaalsContact OD2-CB 3.29Å; D261-S263 WeakPolarHBondContact OD2-CB 3.23Å; D261-S263 PolarHBondContact OD2-N 2.89Å; D261-S263 VanDerWaalsContact OD2-N 3.11Å; D261-S263 PolarHBondContact OD2-OG 2.88Å
264S82.6Confident78.6Confident34 Ų3452.5 Ų52.524%0.23828%0.283CS..THydrogen-bonded Turntrans-108.612.6179.7-47.10000113.5N262 Q266 G312 H313N262-S264 PolarHBondContact O-N 3.47Å; N262-S264 VanDerWaalsContact O-N 3.15Å; S264-Q266 VanDerWaalsContact C-N 3.33Å; S264-Q266 VanDerWaalsContact N-OE1 3.14Å; S264-G312 CarbonylContact O-C 3.49Å; S264-G312 WeakPolarHBondContact O-CA 3.42Å; S264-H313 WeakPolarHBondContact CB-O 3.41Å; S264-H313 PolarHBondContact O-N 2.87Å
265G81.8Confident77.2Confident24 Ų2463.3 Ų63.325%0.24732%0.322CS..SBendtrans77.513.7-179.300000114.6N262 L267 G312N262-G265 PolarHBondContact O-N 2.83Å; N262-G265 VanDerWaalsContact O-N 3.13Å; N262-G265 WeakPolarHBondContact OD1-CA 3.47Å; G265-L267 PolarHBondContact O-N 3.4Å; G265-G312 WeakPolarHBondContact O-CA 3.42Å; G265-G312 PolarHBondContact O-N 2.79Å
266Q83Confident76.1Confident1 Ų165.2 Ų65.21%0.00533%0.326CS..  trans-62.7-18.1179.958.8-110.131.300114.3H246 D261 N262 S264 Y296H246-Q266 HydrophobicContact CB-CG 4.08Å; D261-Q266 VanDerWaalsContact O-CD 3.25Å; D261-Q266 WeakPolarHBondContact O-CG 3.5Å; D261-Q266 PolarHBondContact O-NE2 3.03Å; D261-Q266 PolarHBondContact OD2-NE2 3.43Å; N262-Q266 PolarHBondContact OD1-N 3.27Å; N262-Q266 VanDerWaalsContact OD1-N 3.15Å; S264-Q266 VanDerWaalsContact C-N 3.33Å; S264-Q266 VanDerWaalsContact N-OE1 3.14Å; Q266-Y296 PolarHBondContact OE1-O 3.45Å
267L82.4Confident75.4Confident10 Ų1065.4 Ų65.45%0.05233%0.328CS..SBendtrans-110.9152.2170.4-39.8-176.6000109.4H246 T258 G260 D261 N262 G265H246-L267 HydrophobicContact CB-CD2 4.14Å; T258-L267 VanDerWaalsContact CB-CD2 3.48Å; G260-L267 VanDerWaalsContact O-CD1 3.29Å; G260-L267 WeakPolarHBondContact O-CD1 3.43Å; D261-L267 WeakPolarHBondContact O-CG 3.15Å; N262-L267 HydrophobicContact CB-CB 4.06Å; N262-L267 HydrophobicContact CB-CD1 3.99Å; N262-L267 HydrophobicContact CB-CG 3.92Å; N262-L267 PolarHBondContact ND2-O 3.28Å; N262-L267 WeakPolarHBondContact OD1-CA 3.05Å; N262-L267 WeakPolarHBondContact OD1-CB 3.32Å; N262-L267 PolarHBondContact OD1-N 2.79Å; N262-L267 PolarHBondContact OD1-O 2.98Å; G265-L267 PolarHBondContact O-N 3.4Å
268Q73.6Confident75.2Confident41 Ų4166 Ų6619%0.19233%0.334CS..  trans-77.8128171-171.81706.400110.8N270 Q279 V281 E282Q268-N270 PolarHBondContact O-N 2.88Å; Q268-Q279 PolarHBondContact O-OE1 2.99Å; Q268-V281 VanDerWaalsContact OE1-C 3.25Å; Q268-V281 VanDerWaalsContact OE1-CA 3.23Å; Q268-E282 PolarHBondContact NE2-O 3.08Å; Q268-E282 PolarHBondContact OE1-O 2.93Å
269N62.3Low75Confident101 Ų10167.3 Ų67.354%0.5434%0.34SS..  trans-69.298.3175.7-85.9-28.5000110.5N262 P271 S331N262-N269 PolarHBondContact ND2-OD1 2.85Å; N269-P271 WeakPolarHBondContact O-CD 3.22Å; N269-S331 PolarHBondContact ND2-OG 2.82Å
270N57.7Low74.9Confident49 Ų4970.1 Ų70.126%0.26236%0.355SS..  trans-95.1110.4168.6-166.8-26.3000110.2Q268 R272 G273Q268-N270 PolarHBondContact O-N 2.88Å; N270-R272 PolarHBondContact O-N 2.99Å; N270-R272 PolarHBondContact OD1-N 3.21Å; N270-G273 PolarHBondContact O-N 3.14Å
271P55Low74.8Confident131 Ų13170 Ų7085%0.85135%0.353SS*.THydrogen-bonded Turntrans-63.1-13.917923.7-31.4000113.6N269N269-P271 WeakPolarHBondContact O-CD 3.22Å
272R53.4Low74.5Confident239 Ų23973.8 Ų73.890%0.90237%0.369SS*.THydrogen-bonded Turntrans-104.5-1.3176-59-175.3-172.9-159.22.3113.9N270N270-R272 PolarHBondContact O-N 2.99Å; N270-R272 PolarHBondContact OD1-N 3.21Å
273G53.8Low74Confident26 Ų2675 Ų7527%0.26839%0.39SS..SBendtrans-81.4146.3-174.900000114N270 R275N270-G273 PolarHBondContact O-N 3.14Å; G273-R275 PolarHBondContact O-N 3.47Å
274K57.6Low73.9Confident163 Ų16372 Ų7271%0.70937%0.367SS*.  trans-61.9124.7167-72.5-174.6178.4-1770108.9R276 G277 Q279K274-R276 PolarHBondContact O-N 3.44Å; K274-G277 PolarHBondContact O-N 3.31Å; K274-Q279 PolarHBondContact O-NE2 2.89Å
275R60.6Low73.8Confident234 Ų23478.8 Ų78.888%0.88339%0.392SS*.THydrogen-bonded Turntrans-60.7-16.9-176.6-72.9-170.5-176.9-173.32115.4G273G273-R275 PolarHBondContact O-N 3.47Å
276R69.7Low73.9Confident119 Ų11979.7 Ų79.745%0.44940%0.401SS..THydrogen-bonded Turntrans-124.57.6-174.3-68.7-173.3177.2-123.3-4.3115.2K274K274-R276 PolarHBondContact O-N 3.44Å
277G79.8Confident74.2Confident8 Ų883.8 Ų83.88%0.08242%0.421CS..SBendtrans-112.3173.8-179.100000113.1F259 K274 Q279F259-G277 WeakPolarHBondContact CB-O 3.47Å; K274-G277 PolarHBondContact O-N 3.31Å; G277-Q279 PolarHBondContact O-N 3.45Å
278P89.1Confident74.6Confident33 Ų3383.4 Ų83.421%0.21442%0.419CS..  trans-67126178.429.6-29.3000110.1A231 L232 L235 F257 F259A231-P278 HydrophobicContact CB-CG 3.94Å; L232-P278 HydrophobicContact CD2-CB 3.8Å; L232-P278 HydrophobicContact CD2-CG 3.99Å; L235-P278 HydrophobicContact CD1-CB 4.26Å; L235-P278 HydrophobicContact CD1-CG 4.25Å; F257-P278 HydrophobicContact CB-CB 4.24Å; F257-P278 HydrophobicContact CD1-CB 4.38Å; F259-P278 HydrophobicContact CD1-CB 3.79Å; F259-P278 HydrophobicContact CE1-CB 4.18Å
279Q88.8Confident75.5Confident29 Ų2981.5 Ų81.514%0.13641%0.41CS..EExtended strand (participates in β ladder)trans-111.8128.5-178.9-59-171.6-0.100110.4F257 T258 Q268 K274 G277 V281F257-Q279 CarbonylContact C-O 3.49Å; F257-Q279 WeakPolarHBondContact CA-O 3.36Å; T258-Q279 PolarHBondContact N-O 3.25Å; T258-Q279 PolarHBondContact O-N 2.73Å; Q268-Q279 PolarHBondContact O-OE1 2.99Å; K274-Q279 PolarHBondContact O-NE2 2.89Å; G277-Q279 PolarHBondContact O-N 3.45Å; Q279-V281 PolarHBondContact O-N 2.81Å
280L89.9Confident76.9Confident60 Ų6076.8 Ų76.831%0.31439%0.385SS..EExtended strand (participates in β ladder)trans-64.1132.4174.217964.2000109.6Q255 F257 E282Q255-L280 HydrophobicContact CB-CD1 3.91Å; Q255-L280 HydrophobicContact CG-CD1 4.37Å; F257-L280 HydrophobicContact CD1-CB 4.02Å; F257-L280 HydrophobicContact CD2-CD1 4.37Å; F257-L280 HydrophobicContact CE1-CB 3.69Å; F257-L280 HydrophobicContact CE1-CD1 4.18Å; F257-L280 HydrophobicContact CE1-CG 4.49Å; F257-L280 HydrophobicContact CE2-CD1 3.91Å; F257-L280 HydrophobicContact CZ-CB 4.16Å; F257-L280 HydrophobicContact CZ-CD1 3.8Å; F257-L280 HydrophobicContact CZ-CG 4.49Å; L280-E282 HydrophobicContact CD2-CG 4.43Å; L280-E282 HydrophobicContact CG-CG 4.47Å; L280-E282 PolarHBondContact O-N 2.89Å
281V88.9Confident78.7Confident9 Ų974.4 Ų74.46%0.05537%0.372CS..  trans-80.899.8169.9-175.50000108.8V256 T258 Q268 Q279 I284 L311 I333V256-V281 HydrophobicContact CB-CB 4.43Å; V256-V281 HydrophobicContact CB-CG2 4.31Å; V256-V281 HydrophobicContact CG1-CG2 4.06Å; V256-V281 PolarHBondContact O-N 3.47Å; T258-V281 HydrophobicContact CG2-CG2 3.69Å; Q268-V281 VanDerWaalsContact OE1-C 3.25Å; Q268-V281 VanDerWaalsContact OE1-CA 3.23Å; Q279-V281 PolarHBondContact O-N 2.81Å; V281-I284 HydrophobicContact CB-CD1 4.33Å; V281-I284 HydrophobicContact CG1-CD1 3.84Å; V281-I284 HydrophobicContact CG1-CG1 3.98Å; V281-L311 HydrophobicContact CB-CD1 4.45Å; V281-L311 HydrophobicContact CG1-CD1 3.81Å; V281-L311 HydrophobicContact CG1-CD2 3.88Å; V281-L311 HydrophobicContact CG1-CG 4.45Å; V281-L311 HydrophobicContact CG2-CD1 3.82Å; V281-I333 HydrophobicContact CG1-CD1 3.92Å
282E81.8Confident80.5Confident108 Ų10869.4 Ų69.451%0.50534%0.337SS..THydrogen-bonded Turntrans-77.6144.6174.7-62.9-179.5-174.600111.6Q268 L280 I333Q268-E282 PolarHBondContact NE2-O 3.08Å; Q268-E282 PolarHBondContact OE1-O 2.93Å; L280-E282 HydrophobicContact CD2-CG 4.43Å; L280-E282 HydrophobicContact CG-CG 4.47Å; L280-E282 PolarHBondContact O-N 2.89Å; E282-I333 WeakPolarHBondContact O-CD1 3.21Å
283G77Confident82.5Confident63 Ų6358.5 Ų58.565%0.64930%0.297SS*.THydrogen-bonded Turntrans94.9-6.6174.600000115.9K285G283-K285 PolarHBondContact O-N 3Å; G283-K285 VanDerWaalsContact O-N 3.1Å
284I83.8Confident84.3Confident29 Ų2957.4 Ų57.415%0.14929%0.286CS..  trans-67.7107.8161.2-60.4-178.2000107.9V256 V281 G286 V288 V302 V309 I333V256-I284 HydrophobicContact CG2-CD1 4.47Å; V281-I284 HydrophobicContact CB-CD1 4.33Å; V281-I284 HydrophobicContact CG1-CD1 3.84Å; V281-I284 HydrophobicContact CG1-CG1 3.98Å; I284-G286 PolarHBondContact O-N 2.97Å; I284-G286 VanDerWaalsContact O-N 3.15Å; I284-V288 HydrophobicContact CD1-CG2 4.11Å; I284-V288 HydrophobicContact CG2-CG2 3.81Å; I284-V302 HydrophobicContact CG2-CB 4.46Å; I284-V302 HydrophobicContact CG2-CG1 4.09Å; I284-V302 HydrophobicContact CG2-CG2 3.5Å; I284-V309 HydrophobicContact CD1-CG2 4.37Å; I284-I333 HydrophobicContact CG1-CD1 3.64Å
285K79.1Confident85.8Confident177 Ų17750.5 Ų50.577%0.7726%0.258SS*.  trans-77101.2177.8-67.9-175.8-178.3178.50109.6G283 V302 T305G283-K285 PolarHBondContact O-N 3Å; G283-K285 VanDerWaalsContact O-N 3.1Å; K285-V302 WeakPolarHBondContact O-CG1 3.27Å; K285-T305 WeakPolarHBondContact O-CG2 3.41Å
286G84.6Confident87.1Confident43 Ų4342.2 Ų42.244%0.44323%0.228SC..SBendtrans110.5-178.2175.600000113.5I284 T304I284-G286 PolarHBondContact O-N 2.97Å; I284-G286 VanDerWaalsContact O-N 3.15Å; G286-T304 WeakPolarHBondContact CA-OG1 3.28Å
287Q88.4Confident88.1Confident87 Ų8736.8 Ų36.841%0.40721%0.207SC..  trans-87.7135.3-175.5-67.7-176.1-12.700112.6Y303 T304Q287-Y303 HydrophobicContact CB-CD1 4.16Å; Q287-Y303 HydrophobicContact CB-CE1 3.37Å; Q287-Y303 WeakPolarHBondContact O-CD1 3.31Å; Q287-Y303 PolarHBondContact O-N 2.62Å; Q287-Y303 VanDerWaalsContact O-N 3.13Å; Q287-Y303 PolarHBondContact OE1-OH 3.13Å; Q287-T304 HydrophobicContact CB-CG2 3.99Å; Q287-T304 PolarHBondContact N-OG1 3.32Å
288V92.3Very high88.7Confident3 Ų336.4 Ų36.42%0.01820%0.204CC..EExtended strand (participates in β ladder)trans-86.9140.3175.4-179.50000110L250 G254 V256 I284 K290 I291 A300 Y301 V302L250-V288 HydrophobicContact CD1-CB 3.91Å; L250-V288 HydrophobicContact CD1-CG1 3.85Å; G254-V288 WeakPolarHBondContact CA-O 3.35Å; G254-V288 WeakPolarHBondContact O-CB 3.46Å; G254-V288 PolarHBondContact O-N 3.29Å; V256-V288 HydrophobicContact CG2-CB 3.81Å; V256-V288 HydrophobicContact CG2-CG1 3.78Å; V256-V288 HydrophobicContact CG2-CG2 3.69Å; I284-V288 HydrophobicContact CD1-CG2 4.11Å; I284-V288 HydrophobicContact CG2-CG2 3.81Å; V288-K290 VanDerWaalsContact CG1-O 3.3Å; V288-K290 WeakPolarHBondContact CG1-O 3.33Å; V288-I291 HydrophobicContact CG1-CG2 3.73Å; V288-A300 HydrophobicContact CG1-CB 3.96Å; V288-A300 HydrophobicContact CG2-CB 4.4Å; V288-Y301 WeakPolarHBondContact CA-O 3.47Å; V288-V302 HydrophobicContact CG2-CG2 4.31Å
289S91.1Very high88.8Confident1 Ų134.9 Ų34.91%0.00719%0.194CC..EExtended strand (participates in β ladder)trans-115.2-19.5176.161.50000114.1Y301S289-Y301 PolarHBondContact N-O 3.09Å; S289-Y301 WeakPolarHBondContact OG-CD1 3.34Å; S289-Y301 PolarHBondContact OG-O 2.95Å
290K92.9Very high89Confident1 Ų133.6 Ų33.60%0.00419%0.188CC..EExtended strand (participates in β ladder)trans-147141.2-178.7-52.1-168.7168.784.10110V288 A300 Y301 K348 D349 I350 S371 K373V288-K290 VanDerWaalsContact CG1-O 3.3Å; V288-K290 WeakPolarHBondContact CG1-O 3.33Å; K290-A300 CarbonylContact O-C 3.53Å; K290-A300 WeakPolarHBondContact O-CA 3.28Å; K290-Y301 PolarHBondContact O-N 2.98Å; K290-K348 WeakPolarHBondContact CE-O 3.4Å; K290-K348 PolarHBondContact NZ-O 2.75Å; K290-D349 WeakPolarHBondContact CE-OD1 3.34Å; K290-I350 HydrophobicContact CB-CD1 3.99Å; K290-I350 HydrophobicContact CB-CG1 3.93Å; K290-S371 PolarHBondContact NZ-O 2.72Å; K290-S371 PolarHBondContact NZ-OG 2.88Å; K290-K373 HydrophobicContact CD-CB 4.49Å; K290-K373 HydrophobicContact CG-CB 4.22Å
291I94.8Very high89.2Confident0 Ų031.4 Ų31.40%018%0.175CC..EExtended strand (participates in β ladder)trans-132.8149.9171.161170.1000109.6Y239 A248 V249 L250 V256 V288 I299 A300Y239-I291 HydrophobicContact CD1-CD1 4.15Å; Y239-I291 HydrophobicContact CD1-CG1 3.56Å; Y239-I291 HydrophobicContact CE1-CG1 3.91Å; Y239-I291 WeakPolarHBondContact CE1-O 3.37Å; A248-I291 HydrophobicContact CB-CD1 3.91Å; V249-I291 VanDerWaalsContact C-CD1 3.47Å; L250-I291 HydrophobicContact CB-CD1 3.76Å; L250-I291 HydrophobicContact CB-CG1 3.97Å; L250-I291 HydrophobicContact CB-CG2 4.41Å; V256-I291 HydrophobicContact CG1-CG2 4.16Å; V256-I291 HydrophobicContact CG2-CG2 3.68Å; V288-I291 HydrophobicContact CG1-CG2 3.73Å; I291-I299 CarbonylContact C-O 3.52Å; I291-I299 VanDerWaalsContact CA-O 3.25Å; I291-I299 WeakPolarHBondContact CA-O 3.36Å; I291-A300 HydrophobicContact CG2-CB 4.02Å
292E94.2Very high89.3Confident25 Ų2531 Ų3112%0.11717%0.173CC..EExtended strand (participates in β ladder)trans-147.5138.2170-72.4-69-160.900111.8Y239 S241 T298 I299 I350 A352 K373Y239-E292 PolarHBondContact OH-OE2 3.1Å; S241-E292 PolarHBondContact OG-OE2 3.46Å; E292-T298 CarbonylContact O-C 3.56Å; E292-T298 WeakPolarHBondContact O-CA 3.5Å; E292-I299 PolarHBondContact N-O 3.38Å; E292-I299 PolarHBondContact O-N 2.73Å; E292-I350 HydrophobicContact CB-CD1 4.39Å; E292-I350 HydrophobicContact CG-CD1 4.25Å; E292-I350 HydrophobicContact CG-CG1 3.92Å; E292-I350 WeakPolarHBondContact CG-O 2.94Å; E292-A352 HydrophobicContact CB-CB 3.61Å; E292-K373 VanDerWaalsContact CD-NZ 3.27Å; E292-K373 IonicContact OE1-NZ 2.5Å; E292-K373 PolarHBondContact OE1-NZ 3.4Å; E292-K373 IonicContact OE2-NZ 3.78Å
293C93.9Very high89.5Confident10 Ų1029.2 Ų29.27%0.06816%0.162CC..EExtended strand (participates in β ladder)trans-99.4125.2176.5-62.30000109.9S241 A248 H297S241-C293 VanDerWaalsContact C-SG 3.55Å; S241-C293 PolarHBondContact O-SG 3.02Å; S241-C293 PolarHBondContact OG-N 2.87Å; A248-C293 WeakPolarHBondContact CB-SG 3.48Å; C293-H297 WeakPolarHBondContact CA-O 3.3Å
294G91.4Very high90Very high3 Ų329.5 Ų29.53%0.03115%0.152CC..  trans-82.3-168.8157.800000109.9G243 H246 Y296 H297G243-G294 WeakPolarHBondContact CA-O 3.44Å; H246-G294 PolarHBondContact CE1-O 3.32Å; G294-Y296 VanDerWaalsContact C-N 3.35Å; G294-Y296 PolarHBondContact O-N 2.98Å; G294-H297 PolarHBondContact N-O 2.75Å
295S88.9Confident90.1Very high18 Ų1830.4 Ų30.413%0.12616%0.159CC..SBendtrans-63.9-41.2178.6-610000112.6Y244 A354Y244-S295 WeakPolarHBondContact CB-O 3.39Å; Y244-S295 PolarHBondContact N-O 3.36Å; Y244-S295 VanDerWaalsContact N-O 3.13Å; S295-A354 WeakPolarHBondContact OG-CB 3.45Å
296Y88.5Confident90.5Very high61 Ų6122.8 Ų22.824%0.23913%0.13CC..SBendtrans-129.114.2-170.6-51.9-78.1000113.6Y244 Q266 G294 P315Y244-Y296 AromaticContact CD1-CE1 3.73Å; Y244-Y296 HydrophobicContact CD1-CE1 3.73Å; Y244-Y296 HydrophobicContact CE1-CE1 4.43Å; Q266-Y296 PolarHBondContact OE1-O 3.45Å; G294-Y296 VanDerWaalsContact C-N 3.35Å; G294-Y296 PolarHBondContact O-N 2.98Å; Y296-P315 HydrophobicContact CD2-CG 4.23Å; Y296-P315 HydrophobicContact CE2-CG 4.12Å
297H90.3Very high90.7Very high4 Ų423.6 Ų23.62%0.01912%0.123CC..  trans-153155.7-17866.5-72.7000111.7C293 G294 L311 G353 N357C293-H297 WeakPolarHBondContact CA-O 3.3Å; G294-H297 PolarHBondContact N-O 2.75Å; H297-L311 CarbonylContact C-O 3.47Å; H297-L311 WeakPolarHBondContact CA-O 3.46Å; H297-L311 WeakPolarHBondContact CB-O 3.44Å; H297-G353 PolarHBondContact CE1-O 2.81Å; H297-N357 PolarHBondContact CE1-OD1 2.96Å; H297-N357 PolarHBondContact NE2-ND2 3.09Å; H297-N357 PolarHBondContact NE2-OD1 3.02Å
298T92.3Very high90.9Very high1 Ų119.5 Ų19.51%0.00610%0.103CC..EExtended strand (participates in β ladder)trans-118.4126.7172.8-65.90000109.4H246 A248 E292 S310 L311H246-T298 PolarHBondContact CD2-OG1 2.86Å; H246-T298 PolarHBondContact NE2-OG1 2.88Å; H246-T298 VanDerWaalsContact NE2-OG1 3.07Å; A248-T298 HydrophobicContact CB-CG2 3.79Å; E292-T298 CarbonylContact O-C 3.56Å; E292-T298 WeakPolarHBondContact O-CA 3.5Å; T298-S310 CarbonylContact O-C 3.6Å; T298-S310 WeakPolarHBondContact O-CA 3.38Å; T298-L311 HydrophobicContact CG2-CD1 4.42Å; T298-L311 PolarHBondContact N-O 2.81Å; T298-L311 PolarHBondContact O-N 3.05Å
299I92.5Very high90.8Very high1 Ų119.8 Ų19.81%0.00511%0.105CC..EExtended strand (participates in β ladder)trans-104137.1176.1-58.7171.1000108.9W5 I291 E292 V308 V309 L336 I350 A352 N357W5-I299 HydrophobicContact CZ2-CD1 3.87Å; I291-I299 CarbonylContact C-O 3.52Å; I291-I299 VanDerWaalsContact CA-O 3.25Å; I291-I299 WeakPolarHBondContact CA-O 3.36Å; E292-I299 PolarHBondContact N-O 3.38Å; E292-I299 PolarHBondContact O-N 2.73Å; I299-V308 HydrophobicContact CG2-CG1 3.35Å; I299-V309 CarbonylContact C-O 3.56Å; I299-V309 VanDerWaalsContact CA-O 3.31Å; I299-V309 WeakPolarHBondContact CA-O 3.21Å; I299-V309 WeakPolarHBondContact CG2-O 3.48Å; I299-L336 HydrophobicContact CD1-CD1 4.38Å; I299-L336 HydrophobicContact CG1-CD1 4.34Å; I299-I350 HydrophobicContact CB-CD1 4.49Å; I299-I350 HydrophobicContact CG2-CD1 4.07Å; I299-A352 HydrophobicContact CD1-CB 3.92Å; I299-A352 HydrophobicContact CG1-CB 4.44Å; I299-N357 HydrophobicContact CD1-CB 3.85Å; I299-N357 VanDerWaalsContact CD1-CG 3.48Å; I299-N357 WeakPolarHBondContact CD1-OD1 3.31Å
300A93.4Very high90.7Very high2 Ų220.1 Ų20.12%0.01711%0.108CC..EExtended strand (participates in β ladder)trans-130.5139.1177.100000111.7V288 K290 I291 V308 V309V288-A300 HydrophobicContact CG1-CB 3.96Å; V288-A300 HydrophobicContact CG2-CB 4.4Å; K290-A300 CarbonylContact O-C 3.53Å; K290-A300 WeakPolarHBondContact O-CA 3.28Å; I291-A300 HydrophobicContact CG2-CB 4.02Å; A300-V308 WeakPolarHBondContact O-CA 3.31Å; A300-V309 HydrophobicContact CB-CG2 3.89Å; A300-V309 PolarHBondContact N-O 2.95Å; A300-V309 PolarHBondContact O-N 2.86Å
301Y93.2Very high90.5Very high13 Ų1320.5 Ų20.55%0.05111%0.109CC..EExtended strand (participates in β ladder)trans-100.7111.8171.6175.3-123.4000110.9V288 S289 K290 Y303 Q307 V308 V347V288-Y301 WeakPolarHBondContact CA-O 3.47Å; S289-Y301 PolarHBondContact N-O 3.09Å; S289-Y301 WeakPolarHBondContact OG-CD1 3.34Å; S289-Y301 PolarHBondContact OG-O 2.95Å; K290-Y301 PolarHBondContact O-N 2.98Å; Y301-Y303 PolarHBondContact O-N 3.14Å; Y301-Q307 VanDerWaalsContact CD2-O 3.31Å; Y301-Q307 WeakPolarHBondContact CD2-O 3.48Å; Y301-V308 HydrophobicContact CD2-CG2 3.9Å; Y301-V347 HydrophobicContact CD1-CB 4.13Å; Y301-V347 HydrophobicContact CD1-CG1 4.23Å; Y301-V347 HydrophobicContact CD2-CB 3.81Å; Y301-V347 HydrophobicContact CD2-CG1 4.15Å; Y301-V347 HydrophobicContact CD2-CG2 3.82Å; Y301-V347 HydrophobicContact CE1-CB 3.94Å; Y301-V347 HydrophobicContact CE2-CB 3.59Å; Y301-V347 HydrophobicContact CE2-CG1 4.43Å; Y301-V347 HydrophobicContact CE2-CG2 3.57Å; Y301-V347 HydrophobicContact CG-CB 4.09Å; Y301-V347 HydrophobicContact CG-CG1 4.06Å
302V91.8Very high89.9Confident1 Ų120.8 Ų20.81%0.00611%0.112CC..EExtended strand (participates in β ladder)trans-89.696.6179-166.30000108.4I284 K285 V288 T304 T305 G306 Q307 V309I284-V302 HydrophobicContact CG2-CB 4.46Å; I284-V302 HydrophobicContact CG2-CG1 4.09Å; I284-V302 HydrophobicContact CG2-CG2 3.5Å; K285-V302 WeakPolarHBondContact O-CG1 3.27Å; V288-V302 HydrophobicContact CG2-CG2 4.31Å; V302-T304 VanDerWaalsContact C-N 3.28Å; V302-T304 PolarHBondContact O-N 2.95Å; V302-T305 WeakPolarHBondContact CB-OG1 3.39Å; V302-T305 HydrophobicContact CG1-CG2 4.4Å; V302-T305 VanDerWaalsContact CG1-OG1 3.29Å; V302-T305 WeakPolarHBondContact CG1-OG1 3.25Å; V302-T305 PolarHBondContact O-N 3.01Å; V302-G306 WeakPolarHBondContact O-CA 3.49Å; V302-G306 PolarHBondContact O-N 3.21Å; V302-Q307 PolarHBondContact N-O 3.11Å; V302-Q307 PolarHBondContact O-N 3.41Å; V302-Q307 VanDerWaalsContact O-N 3.15Å; V302-V309 HydrophobicContact CG2-CG1 4.24Å; V302-V309 HydrophobicContact CG2-CG2 4Å
303Y85.9Confident88.8Confident70 Ų7022.3 Ų22.328%0.27512%0.119SC..THydrogen-bonded Turntrans-72.5-24.2-16979.2-91.4000113.3Q287 Y301 V370Q287-Y303 HydrophobicContact CB-CD1 4.16Å; Q287-Y303 HydrophobicContact CB-CE1 3.37Å; Q287-Y303 WeakPolarHBondContact O-CD1 3.31Å; Q287-Y303 PolarHBondContact O-N 2.62Å; Q287-Y303 VanDerWaalsContact O-N 3.13Å; Q287-Y303 PolarHBondContact OE1-OH 3.13Å; Y301-Y303 PolarHBondContact O-N 3.14Å; Y303-V370 HydrophobicContact CD1-CG1 4.04Å; Y303-V370 HydrophobicContact CD2-CG1 4.01Å; Y303-V370 HydrophobicContact CD2-CG2 3.96Å; Y303-V370 HydrophobicContact CE1-CG1 4.02Å; Y303-V370 HydrophobicContact CE2-CB 4.36Å; Y303-V370 HydrophobicContact CE2-CG1 4.02Å; Y303-V370 HydrophobicContact CE2-CG2 3.4Å; Y303-V370 VanDerWaalsContact CE2-CG2 3.4Å; Y303-V370 HydrophobicContact CG-CG1 4.02Å
304T86.5Confident87.2Confident70 Ų7022.1 Ų22.143%0.42912%0.12SC..THydrogen-bonded Turntrans-72.9-35.618046.60000112.2G286 Q287 V302G286-T304 WeakPolarHBondContact CA-OG1 3.28Å; Q287-T304 HydrophobicContact CB-CG2 3.99Å; Q287-T304 PolarHBondContact N-OG1 3.32Å; V302-T304 VanDerWaalsContact C-N 3.28Å; V302-T304 PolarHBondContact O-N 2.95Å
305T86.6Confident85.2Confident48 Ų4825.7 Ų25.729%0.29414%0.142SC..THydrogen-bonded Turntrans-97.3-12.3175.158.30000113K285 V302 Q307K285-T305 WeakPolarHBondContact O-CG2 3.41Å; V302-T305 WeakPolarHBondContact CB-OG1 3.39Å; V302-T305 HydrophobicContact CG1-CG2 4.4Å; V302-T305 VanDerWaalsContact CG1-OG1 3.29Å; V302-T305 WeakPolarHBondContact CG1-OG1 3.25Å; V302-T305 PolarHBondContact O-N 3.01Å; T305-Q307 PolarHBondContact OG1-OE1 2.88Å
306G86.6Confident83.3Confident17 Ų1734.5 Ų34.518%0.17517%0.173CC..THydrogen-bonded Turntrans67.139.2-175.900000112.1V302 L342V302-G306 WeakPolarHBondContact O-CA 3.49Å; V302-G306 PolarHBondContact O-N 3.21Å; G306-L342 VanDerWaalsContact O-CD1 3.3Å; G306-L342 WeakPolarHBondContact O-CD1 3.42Å
307Q90Very high80.9Confident60 Ų6036.3 Ų36.328%0.2819%0.192SC..EExtended strand (participates in β ladder)trans-119.4145.3-176.4-66.7176-36.100111.5Y301 V302 T305 V309 L337Y301-Q307 VanDerWaalsContact CD2-O 3.31Å; Y301-Q307 WeakPolarHBondContact CD2-O 3.48Å; V302-Q307 PolarHBondContact N-O 3.11Å; V302-Q307 PolarHBondContact O-N 3.41Å; V302-Q307 VanDerWaalsContact O-N 3.15Å; T305-Q307 PolarHBondContact OG1-OE1 2.88Å; Q307-V309 HydrophobicContact CB-CG1 4.39Å; Q307-L337 CarbonylContact C-O 3.6Å; Q307-L337 VanDerWaalsContact CA-O 3.29Å; Q307-L337 WeakPolarHBondContact CA-O 3.49Å
308V90.8Very high78.1Confident0 Ų043.1 Ų43.10%023%0.234CC..EExtended strand (participates in β ladder)trans-104.1121.5164.8-178.10000107.7I299 A300 Y301 L336 L337 V347 I350I299-V308 HydrophobicContact CG2-CG1 3.35Å; A300-V308 WeakPolarHBondContact O-CA 3.31Å; Y301-V308 HydrophobicContact CD2-CG2 3.9Å; V308-L336 PolarHBondContact O-N 2.84Å; V308-L337 HydrophobicContact CB-CB 3.97Å; V308-L337 HydrophobicContact CB-CD1 4.24Å; V308-L337 HydrophobicContact CB-CG 4.4Å; V308-L337 HydrophobicContact CG2-CB 4.15Å; V308-L337 HydrophobicContact CG2-CD1 3.94Å; V308-L337 PolarHBondContact N-O 2.91Å; V308-L337 PolarHBondContact O-N 3.34Å; V308-L337 VanDerWaalsContact O-N 3.17Å; V308-V347 HydrophobicContact CG2-CG2 3.96Å; V308-I350 HydrophobicContact CG2-CG2 4.41Å
309V90.9Very high75.2Confident9 Ų948.1 Ų48.16%0.05527%0.269CS..EExtended strand (participates in β ladder)trans-116.2155.2-178.2-58.60000111.1I284 I299 A300 V302 Q307 I333 I334I284-V309 HydrophobicContact CD1-CG2 4.37Å; I299-V309 CarbonylContact C-O 3.56Å; I299-V309 VanDerWaalsContact CA-O 3.31Å; I299-V309 WeakPolarHBondContact CA-O 3.21Å; I299-V309 WeakPolarHBondContact CG2-O 3.48Å; A300-V309 HydrophobicContact CB-CG2 3.89Å; A300-V309 PolarHBondContact N-O 2.95Å; A300-V309 PolarHBondContact O-N 2.86Å; V302-V309 HydrophobicContact CG2-CG1 4.24Å; V302-V309 HydrophobicContact CG2-CG2 4Å; Q307-V309 HydrophobicContact CB-CG1 4.39Å; V309-I333 HydrophobicContact CB-CG2 3.7Å; V309-I333 HydrophobicContact CG1-CG2 4.16Å; V309-I333 HydrophobicContact CG2-CG2 4.01Å; V309-I334 CarbonylContact C-O 3.43Å; V309-I334 WeakPolarHBondContact CA-O 3.26Å
310S89.8Confident72.3Confident9 Ų954.5 Ų54.56%0.06330%0.303CS..EExtended strand (participates in β ladder)trans-129.8141.9178.1-168.20000111.5T298 I334T298-S310 CarbonylContact O-C 3.6Å; T298-S310 WeakPolarHBondContact O-CA 3.38Å; S310-I334 PolarHBondContact N-O 3.1Å; S310-I334 PolarHBondContact O-N 2.93Å
311L88.3Confident69.5Low8 Ų860.7 Ų60.74%0.04234%0.343CS..EExtended strand (participates in β ladder)trans-111.6132.6169.7-60.7159.7000107.6T258 V281 H297 T298 I333T258-L311 HydrophobicContact CG2-CD1 4.43Å; V281-L311 HydrophobicContact CB-CD1 4.45Å; V281-L311 HydrophobicContact CG1-CD1 3.81Å; V281-L311 HydrophobicContact CG1-CD2 3.88Å; V281-L311 HydrophobicContact CG1-CG 4.45Å; V281-L311 HydrophobicContact CG2-CD1 3.82Å; H297-L311 CarbonylContact C-O 3.47Å; H297-L311 WeakPolarHBondContact CA-O 3.46Å; H297-L311 WeakPolarHBondContact CB-O 3.44Å; T298-L311 HydrophobicContact CG2-CD1 4.42Å; T298-L311 PolarHBondContact N-O 2.81Å; T298-L311 PolarHBondContact O-N 3.05Å; L311-I333 HydrophobicContact CD2-CB 4.49Å; L311-I333 HydrophobicContact CD2-CD1 4.21Å; L311-I333 HydrophobicContact CD2-CG1 3.72Å
312G81.3Confident66.4Low6 Ų665.5 Ų65.56%0.06237%0.374CS..SBendtrans80171.7-177.300000114.5S264 G265S264-G312 CarbonylContact O-C 3.49Å; S264-G312 WeakPolarHBondContact O-CA 3.42Å; G265-G312 WeakPolarHBondContact O-CA 3.42Å; G265-G312 PolarHBondContact O-N 2.79Å
313H71.6Confident63.7Low57 Ų5774.3 Ų74.326%0.26442%0.415SS..  trans-129.6140.3-178.4-55.5-29.8000109.8R10 S264 I334R10-H313 PolarHBondContact NH2-CD2 3.2Å; R10-H313 PolarHBondContact NH2-CE1 2.85Å; R10-H313 PolarHBondContact NH2-ND1 2.88Å; R10-H313 PolarHBondContact NH2-NE2 2.85Å; S264-H313 WeakPolarHBondContact CB-O 3.41Å; S264-H313 PolarHBondContact O-N 2.87Å; H313-I334 WeakPolarHBondContact CE1-CD1 3.47Å
314G60Low61.1Low7 Ų780 Ų807%0.07244%0.444CS..PPolyproline II helixtrans-59163.9167.700000112R316G314-R316 PolarHBondContact O-N 2.88Å
315P51.1Low58.6Low78 Ų7886.9 Ų86.951%0.50647%0.468SS..PPolyproline II helixtrans-58.7123.7179.823.2-31.2000109.6Y296Y296-P315 HydrophobicContact CD2-CG 4.23Å; Y296-P315 HydrophobicContact CE2-CG 4.12Å
316R48.7Very low55.7Low202 Ų20288.5 Ų88.576%0.76249%0.486SS*.PPolyproline II helixtrans-63.5134.9173.9-72-178.6178.6176.80.3108.5G314 T318G314-R316 PolarHBondContact O-N 2.88Å; R316-T318 PolarHBondContact O-N 2.78Å; R316-T318 VanDerWaalsContact O-N 3.09Å
317P36.9Very low53.2Low99 Ų9993.3 Ų93.364%0.64351%0.514SS*.PPolyproline II helixtrans-58.4120172.621.8-30.2000108.8S319P317-S319 PolarHBondContact O-N 3.32Å
318T32Very low50.8Low147 Ų14795.5 Ų95.590%0.90254%0.543SS*.  trans-66.898.8178.646.40000109.8R316R316-T318 PolarHBondContact O-N 2.78Å; R316-T318 VanDerWaalsContact O-N 3.09Å
319S32.5Very low48.3Very low107 Ų107103.7 Ų103.775%0.74858%0.581SS**  trans-93.2108.1155.949.60000108.8P317P317-S319 PolarHBondContact O-N 3.32Å
320N30.3Very low45.8Very low135 Ų135106.9 Ų106.972%0.72260%0.604SS**  trans56.7128.9166.9-66.5-16.4000119.9T322N320-T322 VanDerWaalsContact C-N 3.27Å; N320-T322 PolarHBondContact O-N 2.83Å
321P34Very low44Very low132 Ų132108.9 Ų108.986%0.85762%0.617SS**THydrogen-bonded Turntrans-84.447.4-176.137.1-36.5000113.5
322T29.7Very low43.1Very low114 Ų114113.6 Ų113.670%0.69964%0.643SS**THydrogen-bonded Turntrans-128.410.6-17740.20000116.8N320N320-T322 VanDerWaalsContact C-N 3.27Å; N320-T322 PolarHBondContact O-N 2.83Å
323H34.1Very low43.2Very low185 Ų185115.4 Ų115.486%0.85665%0.651SS**SBendtrans-116.1124166.7-79.9-73000112.2
324Q31.5Very low43.8Very low190 Ų190114.2 Ų114.289%0.88865%0.646SS**  trans-42.1135.8173.4-73.8168-23.600111.1A326Q324-A326 PolarHBondContact O-N 3.39Å
325K33.2Very low45.1Very low215 Ų215116.7 Ų116.794%0.93566%0.662SS**  trans-47.4101.4170.1-80.1176.5173177.50109.7
326A27.4Very low46.8Very low82 Ų82113.7 Ų113.768%0.67864%0.641SS**  trans-63.8143.7162.800000108.6Q324Q324-A326 PolarHBondContact O-N 3.39Å
327P34.3Very low48.6Very low117 Ų117104.2 Ų104.276%0.7661%0.605SS**  trans-60.6150.1178.5-12.326.7000110E329P327-E329 PolarHBondContact O-N 2.83Å
328A38.1Very low51Low107 Ų107101.1 Ų101.188%0.88459%0.586SS**  trans-55.397.9174.700000110.9S330A328-S330 PolarHBondContact O-N 3.01Å
329E38.2Very low53.4Low172 Ų17296.8 Ų96.880%0.80457%0.565SS**  trans-69.3118170.8-75.5-177.5161.100109.5P327P327-E329 PolarHBondContact O-N 2.83Å
330S40Very low55.7Low76 Ų7695.3 Ų95.353%0.53156%0.559SS.*  trans43.9111.9163.362.80000118.9A328 D332A328-S330 PolarHBondContact O-N 3.01Å; S330-D332 PolarHBondContact O-N 2.79Å
331S51.4Low58.2Low50 Ų5092.5 Ų92.535%0.3554%0.544SS..  trans-67.956.8166.6-47.60000112.7N269N269-S331 PolarHBondContact ND2-OG 2.82Å
332D70.1Confident60.4Low108 Ų10886.8 Ų86.858%0.57851%0.507SS*.PPolyproline II helixtrans-93.2133.4-175.5-74.2-17.5000111.9S330 I334S330-D332 PolarHBondContact O-N 2.79Å; D332-I334 PolarHBondContact O-N 3.03Å
333I81.9Confident62.6Low44 Ų4485.3 Ų85.323%0.22650%0.497CS..PPolyproline II helixtrans-65.8117.3170.5-53.8-170.3000108.1V281 E282 I284 V309 L311V281-I333 HydrophobicContact CG1-CD1 3.92Å; E282-I333 WeakPolarHBondContact O-CD1 3.21Å; I284-I333 HydrophobicContact CG1-CD1 3.64Å; V309-I333 HydrophobicContact CB-CG2 3.7Å; V309-I333 HydrophobicContact CG1-CG2 4.16Å; V309-I333 HydrophobicContact CG2-CG2 4.01Å; L311-I333 HydrophobicContact CD2-CB 4.49Å; L311-I333 HydrophobicContact CD2-CD1 4.21Å; L311-I333 HydrophobicContact CD2-CG1 3.72Å
334I85.5Confident64.7Low32 Ų3282.4 Ų82.416%0.16449%0.488CS..EExtended strand (participates in β ladder)trans-94.7128.9-177.5-64.4168.2000109.8V309 S310 H313 D332 L336V309-I334 CarbonylContact C-O 3.43Å; V309-I334 WeakPolarHBondContact CA-O 3.26Å; S310-I334 PolarHBondContact N-O 3.1Å; S310-I334 PolarHBondContact O-N 2.93Å; H313-I334 WeakPolarHBondContact CE1-CD1 3.47Å; D332-I334 PolarHBondContact O-N 3.03Å; I334-L336 HydrophobicContact CG2-CD2 4.35Å; I334-L336 PolarHBondContact O-N 2.86Å
335C86.4Confident67.1Low59 Ų5973.7 Ų73.740%0.39945%0.448SS..EExtended strand (participates in β ladder)trans-78.2113.8167.4-171.70000109.6L337C335-L337 PolarHBondContact SG-O 2.87Å; C335-L337 VanDerWaalsContact SG-O 3.33Å
336L86.4Confident69.4Low15 Ų1567.1 Ų67.18%0.07942%0.419CS..EExtended strand (participates in β ladder)trans-85.4-45.1175.8-67177.1000111.4W5 P12 I299 V308 I334W5-L336 HydrophobicContact CZ2-CD1 3.54Å; P12-L336 VanDerWaalsContact CG-O 3.25Å; P12-L336 WeakPolarHBondContact CG-O 3.26Å; I299-L336 HydrophobicContact CD1-CD1 4.38Å; I299-L336 HydrophobicContact CG1-CD1 4.34Å; V308-L336 PolarHBondContact O-N 2.84Å; I334-L336 HydrophobicContact CG2-CD2 4.35Å; I334-L336 PolarHBondContact O-N 2.86Å
337L86.9Confident72.3Confident2 Ų263.4 Ų63.41%0.0139%0.388CS..EExtended strand (participates in β ladder)trans-125.4122.8174.1-66.2167.5000108.7F3 P12 Q307 V308 C335 D341 L342 A359F3-L337 HydrophobicContact CB-CD1 4.2Å; F3-L337 HydrophobicContact CD1-CD1 4.44Å; F3-L337 HydrophobicContact CD1-CD2 3.62Å; F3-L337 HydrophobicContact CD2-CD1 4.05Å; F3-L337 HydrophobicContact CE1-CD2 3.73Å; F3-L337 HydrophobicContact CG-CD1 3.99Å; F3-L337 HydrophobicContact CG-CD2 4.02Å; F3-L337 HydrophobicContact CZ-CD2 4.25Å; P12-L337 HydrophobicContact CB-CD2 3.65Å; P12-L337 HydrophobicContact CB-CG 4.34Å; P12-L337 HydrophobicContact CG-CD2 3.69Å; P12-L337 HydrophobicContact CG-CG 4.04Å; Q307-L337 CarbonylContact C-O 3.6Å; Q307-L337 VanDerWaalsContact CA-O 3.29Å; Q307-L337 WeakPolarHBondContact CA-O 3.49Å; V308-L337 HydrophobicContact CB-CB 3.97Å; V308-L337 HydrophobicContact CB-CD1 4.24Å; V308-L337 HydrophobicContact CB-CG 4.4Å; V308-L337 HydrophobicContact CG2-CB 4.15Å; V308-L337 HydrophobicContact CG2-CD1 3.94Å; V308-L337 PolarHBondContact N-O 2.91Å; V308-L337 PolarHBondContact O-N 3.34Å; V308-L337 VanDerWaalsContact O-N 3.17Å; C335-L337 PolarHBondContact SG-O 2.87Å; C335-L337 VanDerWaalsContact SG-O 3.33Å; L337-D341 HydrophobicContact CD2-CB 4.07Å; L337-L342 HydrophobicContact CB-CD1 4.29Å; L337-A359 HydrophobicContact CD1-CB 4.09Å
338S86.4Confident74.7Confident35 Ų3560.5 Ų60.525%0.24536%0.364CS..  trans-87.2167.7174.874.90000111.3A340 D341 L342S338-A340 PolarHBondContact O-N 3.28Å; S338-A340 PolarHBondContact OG-N 3.32Å; S338-D341 WeakPolarHBondContact CB-OD2 3.38Å; S338-D341 PolarHBondContact N-OD2 3.48Å; S338-D341 PolarHBondContact O-N 3.08Å; S338-D341 VanDerWaalsContact O-N 3.08Å; S338-D341 PolarHBondContact OG-N 3.29Å; S338-D341 PolarHBondContact OG-OD2 3.36Å; S338-L342 PolarHBondContact O-N 3.19Å
339A82.3Confident77.1Confident56 Ų5657.1 Ų57.146%0.46333%0.33SS..THydrogen-bonded Turntrans-59.3-28171.700000112.5L342A339-L342 PolarHBondContact O-N 2.78Å
340A81.8Confident79.7Confident75 Ų7549 Ų4962%0.6229%0.293SS*.THydrogen-bonded Turntrans-72.6-29.3176.800000112.6S338 L342 V343S338-A340 PolarHBondContact O-N 3.28Å; S338-A340 PolarHBondContact OG-N 3.32Å; A340-L342 VanDerWaalsContact C-N 3.26Å; A340-L342 PolarHBondContact O-N 2.88Å; A340-V343 WeakPolarHBondContact O-CG2 3.43Å
341D82.3Confident82.2Confident76 Ų7646.4 Ų46.441%0.40627%0.272SS..THydrogen-bonded Turntrans-75.3-21.3176.5-57-56000112.1L337 S338L337-D341 HydrophobicContact CD2-CB 4.07Å; S338-D341 WeakPolarHBondContact CB-OD2 3.38Å; S338-D341 PolarHBondContact N-OD2 3.48Å; S338-D341 PolarHBondContact O-N 3.08Å; S338-D341 VanDerWaalsContact O-N 3.08Å; S338-D341 PolarHBondContact OG-N 3.29Å; S338-D341 PolarHBondContact OG-OD2 3.36Å
342L80.8Confident84.1Confident12 Ų1244.9 Ų44.96%0.06326%0.262CS..THydrogen-bonded Turntrans-104.823.4-175.5-66.5168000113F3 G306 L337 S338 A339 A340 D344 V345 V347 T361F3-L342 HydrophobicContact CE2-CD2 3.74Å; F3-L342 HydrophobicContact CZ-CD2 4.22Å; G306-L342 VanDerWaalsContact O-CD1 3.3Å; G306-L342 WeakPolarHBondContact O-CD1 3.42Å; L337-L342 HydrophobicContact CB-CD1 4.29Å; S338-L342 PolarHBondContact O-N 3.19Å; A339-L342 PolarHBondContact O-N 2.78Å; A340-L342 VanDerWaalsContact C-N 3.26Å; A340-L342 PolarHBondContact O-N 2.88Å; L342-D344 PolarHBondContact O-N 3.01Å; L342-V345 HydrophobicContact CB-CG2 4.35Å; L342-V345 HydrophobicContact CD2-CG2 4.07Å; L342-V345 PolarHBondContact O-N 2.72Å; L342-V345 VanDerWaalsContact O-N 3.13Å; L342-V347 HydrophobicContact CD1-CG2 3.68Å; L342-V347 HydrophobicContact CD2-CG2 3.94Å; L342-V347 HydrophobicContact CG-CG2 4.5Å; L342-T361 HydrophobicContact CD2-CG2 4.02Å
343V76.6Confident84.8Confident83 Ų8340 Ų4050%0.50324%0.237SC..THydrogen-bonded Turntrans-55.7129.7176.1174.80000110.3A340 V345A340-V343 WeakPolarHBondContact O-CG2 3.43Å; V343-V345 PolarHBondContact O-N 2.77Å
344D77.8Confident84.8Confident125 Ų12538.8 Ų38.867%0.66823%0.234SC*.THydrogen-bonded Turntrans66.23.5-177.9-54.4-43.8000117.4L342L342-D344 PolarHBondContact O-N 3.01Å
345V80.4Confident84.6Confident7 Ų740.4 Ų40.44%0.04224%0.238CC..EExtended strand (participates in β ladder)trans-133.6149.1-178.7-64.30000112.1M1 L342 V343 T361 H362 R363M1-V345 HydrophobicContact CE-CG1 4.03Å; L342-V345 HydrophobicContact CB-CG2 4.35Å; L342-V345 HydrophobicContact CD2-CG2 4.07Å; L342-V345 PolarHBondContact O-N 2.72Å; L342-V345 VanDerWaalsContact O-N 3.13Å; V343-V345 PolarHBondContact O-N 2.77Å; V345-T361 HydrophobicContact CG2-CG2 4.28Å; V345-H362 WeakPolarHBondContact CA-O 3.45Å; V345-R363 HydrophobicContact CG1-CG 4.45Å
346K83Confident84.6Confident77 Ų7737.7 Ų37.734%0.33522%0.22SC..EExtended strand (participates in β ladder)trans-113.6142.9170.7-77.5-170.4174.6-177.30110.5K348 T361 H362K346-K348 PolarHBondContact O-N 2.9Å; K346-T361 VanDerWaalsContact O-CA 3.23Å; K346-T361 WeakPolarHBondContact O-CA 3.38Å; K346-H362 PolarHBondContact N-O 3.28Å; K346-H362 PolarHBondContact O-N 2.85Å; K346-H362 PolarHBondContact O-ND1 3.31Å
347V86.9Confident84.8Confident3 Ų337 Ų372%0.01822%0.216CC..EExtended strand (participates in β ladder)trans-61.5121172.1179.50000108.5Y301 V308 L342 I350 T360Y301-V347 HydrophobicContact CD1-CB 4.13Å; Y301-V347 HydrophobicContact CD1-CG1 4.23Å; Y301-V347 HydrophobicContact CD2-CB 3.81Å; Y301-V347 HydrophobicContact CD2-CG1 4.15Å; Y301-V347 HydrophobicContact CD2-CG2 3.82Å; Y301-V347 HydrophobicContact CE1-CB 3.94Å; Y301-V347 HydrophobicContact CE2-CB 3.59Å; Y301-V347 HydrophobicContact CE2-CG1 4.43Å; Y301-V347 HydrophobicContact CE2-CG2 3.57Å; Y301-V347 HydrophobicContact CG-CB 4.09Å; Y301-V347 HydrophobicContact CG-CG1 4.06Å; V308-V347 HydrophobicContact CG2-CG2 3.96Å; L342-V347 HydrophobicContact CD1-CG2 3.68Å; L342-V347 HydrophobicContact CD2-CG2 3.94Å; L342-V347 HydrophobicContact CG-CG2 4.5Å; V347-I350 HydrophobicContact CG1-CG2 3.8Å; V347-T360 CarbonylContact C-O 3.53Å; V347-T360 WeakPolarHBondContact CA-O 3.38Å
348K86.3Confident85.1Confident57 Ų5737.2 Ų37.225%0.24822%0.217CC..EExtended strand (participates in β ladder)trans-84.2-62.1175.1-173.1-172.8-179.1-175.80108.4E22 K290 K346 T360E22-K348 IonicContact OE1-NZ 2.75Å; E22-K348 PolarHBondContact OE1-NZ 2.9Å; K290-K348 WeakPolarHBondContact CE-O 3.4Å; K290-K348 PolarHBondContact NZ-O 2.75Å; K346-K348 PolarHBondContact O-N 2.9Å; K348-T360 PolarHBondContact N-O 2.93Å
349D88.6Confident85.2Confident35 Ų3535.6 Ų35.619%0.18721%0.206CC..EExtended strand (participates in β ladder)trans-139160.5176.5-68-64.1000111.7K290 F351 A359 T360K290-D349 WeakPolarHBondContact CE-OD1 3.34Å; D349-F351 HydrophobicContact CB-CE1 4.45Å; D349-F351 HydrophobicContact CB-CE2 3.87Å; D349-F351 HydrophobicContact CB-CZ 3.65Å; D349-A359 CarbonylContact O-C 3.48Å; D349-A359 WeakPolarHBondContact O-CA 3.42Å; D349-T360 PolarHBondContact N-OG1 3.22Å; D349-T360 PolarHBondContact O-N 2.89Å; D349-T360 PolarHBondContact O-OG1 2.86Å
350I92.8Very high85.6Confident3 Ų333 Ų332%0.01518%0.184CC..EExtended strand (participates in β ladder)trans-121.5149.3172.156.3168.7000108.5K290 E292 I299 V308 V347 F358 A359K290-I350 HydrophobicContact CB-CD1 3.99Å; K290-I350 HydrophobicContact CB-CG1 3.93Å; E292-I350 HydrophobicContact CB-CD1 4.39Å; E292-I350 HydrophobicContact CG-CD1 4.25Å; E292-I350 HydrophobicContact CG-CG1 3.92Å; E292-I350 WeakPolarHBondContact CG-O 2.94Å; I299-I350 HydrophobicContact CB-CD1 4.49Å; I299-I350 HydrophobicContact CG2-CD1 4.07Å; V308-I350 HydrophobicContact CG2-CG2 4.41Å; V347-I350 HydrophobicContact CG1-CG2 3.8Å; I350-F358 CarbonylContact C-O 3.58Å; I350-F358 WeakPolarHBondContact CA-O 3.38Å; I350-A359 HydrophobicContact CG2-CB 4.18Å
351F92.1Very high85.8Confident21 Ų2129.6 Ų29.69%0.09216%0.155CC..EExtended strand (participates in β ladder)trans-138.5128.6177.3-51.8-80000108.2Q25 A26 D349 N357 F358 T360Q25-F351 HydrophobicContact CB-CE1 4.36Å; Q25-F351 HydrophobicContact CB-CZ 4.37Å; Q25-F351 HydrophobicContact CG-CD1 4.35Å; Q25-F351 HydrophobicContact CG-CE1 3.68Å; Q25-F351 HydrophobicContact CG-CZ 4.18Å; A26-F351 HydrophobicContact CB-CB 4.07Å; A26-F351 HydrophobicContact CB-CD2 3.92Å; A26-F351 HydrophobicContact CB-CG 3.93Å; A26-F351 WeakPolarHBondContact O-CD1 3.25Å; A26-F351 WeakPolarHBondContact O-CG 3.5Å; D349-F351 HydrophobicContact CB-CE1 4.45Å; D349-F351 HydrophobicContact CB-CE2 3.87Å; D349-F351 HydrophobicContact CB-CZ 3.65Å; F351-N357 CarbonylContact O-C 3.58Å; F351-N357 WeakPolarHBondContact O-CA 3.19Å; F351-F358 HydrophobicContact CB-CB 4.22Å; F351-F358 HydrophobicContact CD2-CB 4.02Å; F351-F358 PolarHBondContact N-O 2.86Å; F351-F358 PolarHBondContact O-N 3.08Å; F351-T360 HydrophobicContact CE2-CG2 3.86Å
352A90.4Very high85.7Confident18 Ų1829 Ų2915%0.14915%0.15CC..  trans-115.2144.5175.900000109.8E292 I299 N357E292-A352 HydrophobicContact CB-CB 3.61Å; I299-A352 HydrophobicContact CD1-CB 3.92Å; I299-A352 HydrophobicContact CG1-CB 4.44Å; A352-N357 WeakPolarHBondContact CA-OD1 3.18Å
353G85.2Confident85.3Confident5 Ų537.9 Ų37.95%0.05218%0.183CC..  trans-154.3179.6171.700000111.2S28 H297 A356 N357S28-G353 WeakPolarHBondContact O-CA 3.46Å; H297-G353 PolarHBondContact CE1-O 2.81Å; G353-A356 PolarHBondContact N-O 3.1Å; G353-N357 PolarHBondContact N-OD1 3.37Å
354A81.7Confident84.6Confident18 Ų1839.6 Ų39.615%0.14919%0.185CC..SBendtrans-75.4-33.8-178.800000112.6A7 G29 S295A7-A354 WeakPolarHBondContact CB-O 3.17Å; G29-A354 WeakPolarHBondContact O-CB 3.28Å; G29-A354 PolarHBondContact O-N 2.91Å; S295-A354 WeakPolarHBondContact OG-CB 3.45Å
355Y80.5Confident83.1Confident67 Ų6736.8 Ų36.826%0.26318%0.18SC..SBendtrans-85-51-179-178.1-117.8000111.8A7 S28 G29 E62A7-Y355 PolarHBondContact N-O 2.89Å; A7-Y355 VanDerWaalsContact N-O 3.11Å; S28-Y355 WeakPolarHBondContact OG-CB 3.36Å; G29-Y355 PolarHBondContact O-N 3.08Å; G29-Y355 VanDerWaalsContact O-N 3.1Å; E62-Y355 PolarHBondContact OE2-OH 2.97Å; E62-Y355 VanDerWaalsContact OE2-OH 3.08Å
356A87.9Confident81.4Confident1 Ų149 Ų491%0.00823%0.225CC..EExtended strand (participates in β ladder)trans-146.7155.5-173.400000112.8H4 W5 S28 G353 F358H4-A356 WeakPolarHBondContact NE2-CB 3.39Å; W5-A356 WeakPolarHBondContact O-CA 3.25Å; S28-A356 WeakPolarHBondContact CB-O 3.45Å; S28-A356 PolarHBondContact OG-N 3.14Å; S28-A356 PolarHBondContact OG-O 3.32Å; G353-A356 PolarHBondContact N-O 3.1Å; A356-F358 HydrophobicContact CB-CE2 3.72Å; A356-F358 HydrophobicContact CB-CZ 3.86Å
357N90.8Very high79.6Confident1 Ų148.5 Ų48.51%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-117.3149.9174.8-57.3-60.4000110.2H4 W5 H297 I299 F351 A352 G353H4-N357 WeakPolarHBondContact CA-O 3.19Å; W5-N357 HydrophobicContact CD2-CB 3.85Å; W5-N357 HydrophobicContact CE3-CB 4.44Å; W5-N357 HydrophobicContact CG-CB 4.3Å; W5-N357 HydrophobicContact CH2-CB 4.05Å; W5-N357 HydrophobicContact CZ2-CB 3.42Å; W5-N357 VanDerWaalsContact CZ2-CB 3.42Å; W5-N357 PolarHBondContact N-O 3.34Å; W5-N357 PolarHBondContact NE1-ND2 3.28Å; W5-N357 PolarHBondContact O-N 3.13Å; H297-N357 PolarHBondContact CE1-OD1 2.96Å; H297-N357 PolarHBondContact NE2-ND2 3.09Å; H297-N357 PolarHBondContact NE2-OD1 3.02Å; I299-N357 HydrophobicContact CD1-CB 3.85Å; I299-N357 VanDerWaalsContact CD1-CG 3.48Å; I299-N357 WeakPolarHBondContact CD1-OD1 3.31Å; F351-N357 CarbonylContact O-C 3.58Å; F351-N357 WeakPolarHBondContact O-CA 3.19Å; A352-N357 WeakPolarHBondContact CA-OD1 3.18Å; G353-N357 PolarHBondContact N-OD1 3.37Å
358F91.7Very high77.6Confident7 Ų758.1 Ų58.13%0.03127%0.273CS..EExtended strand (participates in β ladder)trans-136.9145.9-178.1-55.8-95.8000111.3Y2 F3 H4 L23 A26 L35 I350 F351 A356Y2-F358 HydrophobicContact CD2-CD1 4.28Å; Y2-F358 HydrophobicContact CE2-CD1 4.34Å; F3-F358 VanDerWaalsContact O-CA 3.28Å; F3-F358 WeakPolarHBondContact O-CA 3.33Å; H4-F358 HydrophobicContact CB-CD1 4.09Å; H4-F358 HydrophobicContact CB-CE1 4.14Å; H4-F358 AromaticContact CD2-CD1 3.94Å; H4-F358 AromaticContact CD2-CE1 3.32Å; H4-F358 WeakPolarHBondContact CD2-CE1 3.18Å; H4-F358 AromaticContact CD2-CZ 3.57Å; L23-F358 HydrophobicContact CD2-CD1 4.33Å; A26-F358 HydrophobicContact CB-CB 3.98Å; A26-F358 HydrophobicContact CB-CD1 4.3Å; A26-F358 HydrophobicContact CB-CD2 3.47Å; A26-F358 VanDerWaalsContact CB-CD2 3.47Å; A26-F358 HydrophobicContact CB-CE2 4.01Å; A26-F358 HydrophobicContact CB-CG 3.65Å; L35-F358 HydrophobicContact CD2-CD1 4.11Å; L35-F358 HydrophobicContact CD2-CE1 3.58Å; L35-F358 HydrophobicContact CD2-CE2 4.29Å; L35-F358 HydrophobicContact CD2-CZ 3.7Å; I350-F358 CarbonylContact C-O 3.58Å; I350-F358 WeakPolarHBondContact CA-O 3.38Å; F351-F358 HydrophobicContact CB-CB 4.22Å; F351-F358 HydrophobicContact CD2-CB 4.02Å; F351-F358 PolarHBondContact N-O 2.86Å; F351-F358 PolarHBondContact O-N 3.08Å; A356-F358 HydrophobicContact CB-CE2 3.72Å; A356-F358 HydrophobicContact CB-CZ 3.86Å
359A90.4Very high75.8Confident0 Ų059.6 Ų59.60%029%0.29CS..EExtended strand (participates in β ladder)trans-132.9119.8167.600000110Y2 F3 W5 L337 D349 I350Y2-A359 CarbonylContact C-O 3.6Å; Y2-A359 WeakPolarHBondContact CA-O 3.5Å; Y2-A359 WeakPolarHBondContact CB-O 3.19Å; F3-A359 HydrophobicContact CB-CB 4.34Å; F3-A359 PolarHBondContact N-O 2.77Å; F3-A359 PolarHBondContact O-N 2.81Å; W5-A359 HydrophobicContact CH2-CB 4.24Å; W5-A359 HydrophobicContact CZ3-CB 4.22Å; L337-A359 HydrophobicContact CD1-CB 4.09Å; D349-A359 CarbonylContact O-C 3.48Å; D349-A359 WeakPolarHBondContact O-CA 3.42Å; I350-A359 HydrophobicContact CG2-CB 4.18Å
360T88.9Confident74.3Confident1 Ų161 Ų611%0.00630%0.3CS..EExtended strand (participates in β ladder)trans-88.4150.8176.958.60000110L23 V347 K348 D349 F351L23-T360 HydrophobicContact CB-CG2 4.07Å; L23-T360 HydrophobicContact CD2-CG2 3.92Å; L23-T360 HydrophobicContact CG-CG2 4Å; L23-T360 VanDerWaalsContact O-CG2 3.29Å; L23-T360 WeakPolarHBondContact O-CG2 3.35Å; V347-T360 CarbonylContact C-O 3.53Å; V347-T360 WeakPolarHBondContact CA-O 3.38Å; K348-T360 PolarHBondContact N-O 2.93Å; D349-T360 PolarHBondContact N-OG1 3.22Å; D349-T360 PolarHBondContact O-N 2.89Å; D349-T360 PolarHBondContact O-OG1 2.86Å; F351-T360 HydrophobicContact CE2-CG2 3.86Å
361T85.8Confident72.6Confident4 Ų463.5 Ų63.53%0.02532%0.317CS..EExtended strand (participates in β ladder)trans-137.7148.4-176.761.20000112.2M1 F3 L342 V345 K346M1-T361 WeakPolarHBondContact CB-OG1 3.38Å; M1-T361 PolarHBondContact O-N 2.84Å; M1-T361 PolarHBondContact O-OG1 2.96Å; F3-T361 HydrophobicContact CD2-CG2 4.06Å; F3-T361 HydrophobicContact CE2-CG2 3.88Å; L342-T361 HydrophobicContact CD2-CG2 4.02Å; V345-T361 HydrophobicContact CG2-CG2 4.28Å; K346-T361 VanDerWaalsContact O-CA 3.23Å; K346-T361 WeakPolarHBondContact O-CA 3.38Å
362H80.8Confident71.3Confident65 Ų6565.8 Ų65.830%0.30133%0.329SS..EExtended strand (participates in β ladder)trans-121.5151.2172.564.4-80.5000110.6V345 K346V345-H362 WeakPolarHBondContact CA-O 3.45Å; K346-H362 PolarHBondContact N-O 3.28Å; K346-H362 PolarHBondContact O-N 2.85Å; K346-H362 PolarHBondContact O-ND1 3.31Å
363R73.8Confident70.2Confident197 Ų19767.2 Ų67.274%0.74333%0.332SS*.EExtended strand (participates in β ladder)trans-72145.8175.1-76.5-174.5176.6176.9-0.2110.1V345 A365V345-R363 HydrophobicContact CG1-CG 4.45Å; R363-A365 PolarHBondContact O-N 2.79Å
364H60Low69.4Low120 Ų12074.5 Ų74.556%0.55637%0.368SS*.  trans-48.1106179.4-99.3-80.1000113.1
365A47.3Very low69.2Low66 Ų6675.2 Ų75.255%0.54537%0.369SS..  trans-85.1146154.200000107.9R363 S367R363-A365 PolarHBondContact O-N 2.79Å; A365-S367 PolarHBondContact O-N 3.39Å
366R44.2Very low69.1Low263 Ų26374 Ų7499%0.99237%0.37SS*.SBendtrans-57.49-177.4-73.9179.6173175.5-2.5116
367S44.8Very low69Low66 Ų6679 Ų7946%0.46239%0.393SS..  trans-81.5127-179.5-172.20000112.5A365 S369A365-S367 PolarHBondContact O-N 3.39Å; S367-S369 VanDerWaalsContact C-N 3.28Å; S367-S369 WeakPolarHBondContact OG-CB 3.49Å; S367-S369 PolarHBondContact OG-N 2.87Å; S367-S369 VanDerWaalsContact OG-N 3.13Å; S367-S369 PolarHBondContact OG-OG 3.33Å
368K46.6Very low69.1Low206 Ų20679.1 Ų79.190%0.89639%0.393SS*.  trans-81.90.3168.1-70.5-176.9177-179.30112.9
369S47.7Very low69.2Low88 Ų8879.8 Ų79.862%0.61540%0.399SS*.  trans-72.3131.6-175.766.90000112.4S367 S371S367-S369 VanDerWaalsContact C-N 3.28Å; S367-S369 WeakPolarHBondContact OG-CB 3.49Å; S367-S369 PolarHBondContact OG-N 2.87Å; S367-S369 VanDerWaalsContact OG-N 3.13Å; S367-S369 PolarHBondContact OG-OG 3.33Å; S369-S371 PolarHBondContact O-N 3.44Å
370V56.4Low69.4Low65 Ų6584.1 Ų84.139%0.39442%0.416SS..  trans-65.2119.5175-176.60000109.6Y303 M372Y303-V370 HydrophobicContact CD1-CG1 4.04Å; Y303-V370 HydrophobicContact CD2-CG1 4.01Å; Y303-V370 HydrophobicContact CD2-CG2 3.96Å; Y303-V370 HydrophobicContact CE1-CG1 4.02Å; Y303-V370 HydrophobicContact CE2-CB 4.36Å; Y303-V370 HydrophobicContact CE2-CG1 4.02Å; Y303-V370 HydrophobicContact CE2-CG2 3.4Å; Y303-V370 VanDerWaalsContact CE2-CG2 3.4Å; Y303-V370 HydrophobicContact CG-CG1 4.02Å; V370-M372 HydrophobicContact CG1-CG 4.34Å; V370-M372 HydrophobicContact CG1-SD 4.07Å; V370-M372 PolarHBondContact O-N 2.73Å; V370-M372 VanDerWaalsContact O-N 3.15Å
371S57.5Low69.6Low54 Ų5484.6 Ų84.638%0.37842%0.418SS..  trans-79.190.7169.6158.70000108.3K290 S369K290-S371 PolarHBondContact NZ-O 2.72Å; K290-S371 PolarHBondContact NZ-OG 2.88Å; S369-S371 PolarHBondContact O-N 3.44Å
372M65.9Low69.7Low70 Ų7087.7 Ų87.735%0.34543%0.434SS..  trans-67.6153.7163.2-65.8-61.3-113.700109.3I238 V370 I374I238-M372 HydrophobicContact CD1-CE 3.47Å; I238-M372 VanDerWaalsContact CD1-CE 3.47Å; V370-M372 HydrophobicContact CG1-CG 4.34Å; V370-M372 HydrophobicContact CG1-SD 4.07Å; V370-M372 PolarHBondContact O-N 2.73Å; V370-M372 VanDerWaalsContact O-N 3.15Å; M372-I374 PolarHBondContact O-N 3.26Å
373K66.9Low70Confident47 Ų4791.1 Ų91.120%0.20445%0.45CS..  trans-59.2123.7173.4-168.8167.3-179.2174.50109.4Y239 K290 E292 L375Y239-K373 HydrophobicContact CD2-CD 4.09Å; Y239-K373 HydrophobicContact CE1-CD 4.26Å; Y239-K373 HydrophobicContact CE2-CD 3.65Å; Y239-K373 PolarHBondContact OH-NZ 3.47Å; K290-K373 HydrophobicContact CD-CB 4.49Å; K290-K373 HydrophobicContact CG-CB 4.22Å; E292-K373 VanDerWaalsContact CD-NZ 3.27Å; E292-K373 IonicContact OE1-NZ 2.5Å; E292-K373 PolarHBondContact OE1-NZ 3.4Å; E292-K373 IonicContact OE2-NZ 3.78Å; K373-L375 PolarHBondContact O-N 2.93Å
374I68.6Low70.8Confident158 Ų15885.7 Ų85.781%0.8144%0.443SS*.  trans-86.2110.4179.6-58.2175.2000107.2M372M372-I374 PolarHBondContact O-N 3.26Å
375L77.8Confident72.3Confident34 Ų3481.4 Ų81.418%0.17842%0.424CS..PPolyproline II helixtrans-80.9146.9171.3-69.3175.3000109.9Q183 Y239 K373 E377Q183-L375 HydrophobicContact CB-CD1 4.09Å; Q183-L375 HydrophobicContact CG-CD1 4.37Å; Q183-L375 HydrophobicContact CG-CD2 3.99Å; Y239-L375 HydrophobicContact CD2-CD1 4.13Å; Y239-L375 HydrophobicContact CD2-CD2 3.62Å; Y239-L375 HydrophobicContact CD2-CG 4.14Å; Y239-L375 HydrophobicContact CE2-CD2 3.52Å; K373-L375 PolarHBondContact O-N 2.93Å; L375-E377 PolarHBondContact O-N 2.84Å
376P76.8Confident74.4Confident42 Ų4278.8 Ų78.827%0.27340%0.402SS..PPolyproline II helixtrans-61134.4167.426.1-31.4000109.5I129 Q130I129-P376 HydrophobicContact CB-CB 4.17Å; I129-P376 HydrophobicContact CD1-CB 4.3Å; I129-P376 HydrophobicContact CG1-CB 4.42Å; I129-P376 VanDerWaalsContact O-CB 3.25Å; I129-P376 WeakPolarHBondContact O-CB 3.28Å; I129-P376 VanDerWaalsContact O-CG 3.28Å; I129-P376 WeakPolarHBondContact O-CG 3.45Å; Q130-P376 HydrophobicContact CB-CG 3.88Å; Q130-P376 HydrophobicContact CG-CG 3.89Å
377E86.3Confident76.7Confident104 Ų10473 Ų7349%0.48638%0.384SS..PPolyproline II helixtrans-103.9138.4-178.5-64.6-176.1149.600110.6L375 R380L375-E377 PolarHBondContact O-N 2.84Å; E377-R380 IonicContact OE1-CZ 3.34Å; E377-R380 IonicContact OE1-NH1 3.83Å; E377-R380 PolarHBondContact OE1-NH1 3.15Å; E377-R380 IonicContact OE1-NH2 2.69Å; E377-R380 PolarHBondContact OE1-NH2 2.71Å; E377-R380 IonicContact OE2-CZ 3.31Å; E377-R380 IonicContact OE2-NE 2.73Å; E377-R380 PolarHBondContact OE2-NE 2.97Å; E377-R380 IonicContact OE2-NH1 2.77Å; E377-R380 IonicContact OE2-NH2 3.21Å; E377-R380 PolarHBondContact OE2-NH2 2.8Å
378I93.4Very high79Confident4 Ų473.7 Ų73.72%0.02138%0.379CS..PPolyproline II helixtrans-62.5155.8166.766.1173.8000110.1I129 L141 E143 P180 L196 R380 A413 A417I129-I378 HydrophobicContact CD1-CG2 3.98Å; L141-I378 HydrophobicContact CD2-CG2 4.5Å; E143-I378 WeakPolarHBondContact O-CA 3.35Å; P180-I378 HydrophobicContact CB-CD1 4.42Å; L196-I378 HydrophobicContact CD1-CD1 4.33Å; L196-I378 HydrophobicContact CD1-CG1 4.28Å; I378-R380 PolarHBondContact O-N 3.44Å; I378-A413 HydrophobicContact CD1-CB 4.23Å; I378-A417 HydrophobicContact CD1-CB 3.76Å; I378-A417 HydrophobicContact CG1-CB 4.13Å
379S94.3Very high81.3Confident22 Ų2263.9 Ų63.915%0.15434%0.336CS..PPolyproline II helixtrans-60.5131.1-179.8-82.90000111.5E143 L407 C414E143-S379 VanDerWaalsContact CG-OG 3.27Å; E143-S379 WeakPolarHBondContact CG-OG 3.47Å; E143-S379 PolarHBondContact O-N 3.27Å; S379-L407 VanDerWaalsContact OG-CD2 3.25Å; S379-L407 WeakPolarHBondContact OG-CD2 3.35Å; S379-C414 WeakPolarHBondContact O-CA 3.45Å; S379-C414 WeakPolarHBondContact O-CB 3.27Å; S379-C414 PolarHBondContact O-SG 3Å
380R93.6Very high83.4Confident91 Ų9163 Ų6334%0.34332%0.324SS..  trans-143.3148.1-178.464.5-178.7-179-174.9-1.8111.8E377 I378 L385 S418E377-R380 IonicContact OE1-CZ 3.34Å; E377-R380 IonicContact OE1-NH1 3.83Å; E377-R380 PolarHBondContact OE1-NH1 3.15Å; E377-R380 IonicContact OE1-NH2 2.69Å; E377-R380 PolarHBondContact OE1-NH2 2.71Å; E377-R380 IonicContact OE2-CZ 3.31Å; E377-R380 IonicContact OE2-NE 2.73Å; E377-R380 PolarHBondContact OE2-NE 2.97Å; E377-R380 IonicContact OE2-NH1 2.77Å; E377-R380 IonicContact OE2-NH2 3.21Å; E377-R380 PolarHBondContact OE2-NH2 2.8Å; I378-R380 PolarHBondContact O-N 3.44Å; R380-L385 WeakPolarHBondContact O-CD2 3.49Å; R380-S418 WeakPolarHBondContact CA-OG 3.21Å
381I93.7Very high85.1Confident10 Ų1063 Ų635%0.05133%0.33CS..  trans-75.7129.2171.6-46.8-178.2000108.3A386 W389 I408 F409 L415 S418 F419 V441 L445I381-A386 HydrophobicContact CG2-CB 4.1Å; I381-W389 HydrophobicContact CD1-CH2 4.36Å; I381-W389 HydrophobicContact CD1-CZ3 4.08Å; I381-W389 HydrophobicContact CG1-CH2 3.94Å; I381-W389 HydrophobicContact CG1-CZ3 4.06Å; I381-W389 HydrophobicContact CG2-CZ3 4.18Å; I381-I408 HydrophobicContact CD1-CG2 4.04Å; I381-I408 HydrophobicContact CG1-CD1 4.3Å; I381-I408 HydrophobicContact CG1-CG2 3.73Å; I381-F409 HydrophobicContact CD1-CE2 3.82Å; I381-F409 HydrophobicContact CD1-CZ 3.85Å; I381-L415 HydrophobicContact CD1-CD2 4.48Å; I381-S418 PolarHBondContact N-OG 3.09Å; I381-F419 HydrophobicContact CD1-CZ 4.21Å; I381-V441 HydrophobicContact CG2-CG1 4.04Å; I381-L445 HydrophobicContact CD1-CD1 4.4Å
382N88.1Confident86.6Confident69 Ų6960.7 Ų60.737%0.36932%0.315SS..  trans-126.9168.8164.963.744000109.6S384 L385 A386N382-S384 VanDerWaalsContact C-N 3.27Å; N382-S384 PolarHBondContact O-N 2.65Å; N382-S384 PolarHBondContact OD1-N 3.37Å; N382-S384 PolarHBondContact OD1-OG 3.34Å; N382-L385 PolarHBondContact O-N 3.24Å; N382-L385 VanDerWaalsContact O-N 3.15Å; N382-L385 VanDerWaalsContact OD1-CB 3.26Å; N382-L385 WeakPolarHBondContact OD1-CB 3.37Å; N382-L385 PolarHBondContact OD1-N 2.9Å; N382-A386 PolarHBondContact O-N 3.16Å
383Q86.5Confident87.3Confident137 Ų13766.2 Ų66.264%0.6434%0.337SS*.Hα-helixtrans-60.3-36.1-175.7-67.8-171.31.400113.1K387Q383-K387 WeakPolarHBondContact O-CB 3.43Å; Q383-K387 VanDerWaalsContact O-CG 3.26Å; Q383-K387 WeakPolarHBondContact O-CG 3.36Å; Q383-K387 PolarHBondContact O-N 3.16Å; Q383-K387 VanDerWaalsContact O-N 3.16Å
384S89.7Confident87.7Confident84 Ų8469.1 Ų69.159%0.58735%0.354SS*.Hα-helixtrans-66.1-42.7175.933.50000112.1N382 K387 K388N382-S384 VanDerWaalsContact C-N 3.27Å; N382-S384 PolarHBondContact O-N 2.65Å; N382-S384 PolarHBondContact OD1-N 3.37Å; N382-S384 PolarHBondContact OD1-OG 3.34Å; S384-K387 PolarHBondContact O-N 2.9Å; S384-K388 PolarHBondContact O-N 3.29Å
385L91.9Very high88.2Confident30 Ų3068.3 Ų68.316%0.15735%0.351CS..Hα-helixtrans-68.6-44.3-178.2-169.363.8000111.1R380 N382 K387 K388 W389 E404 I408R380-L385 WeakPolarHBondContact O-CD2 3.49Å; N382-L385 PolarHBondContact O-N 3.24Å; N382-L385 VanDerWaalsContact O-N 3.15Å; N382-L385 VanDerWaalsContact OD1-CB 3.26Å; N382-L385 WeakPolarHBondContact OD1-CB 3.37Å; N382-L385 PolarHBondContact OD1-N 2.9Å; L385-K387 VanDerWaalsContact C-N 3.31Å; L385-K387 PolarHBondContact O-N 3.21Å; L385-K388 HydrophobicContact CD1-CD 4.31Å; L385-K388 WeakPolarHBondContact O-CB 3.27Å; L385-K388 PolarHBondContact O-N 2.98Å; L385-K388 VanDerWaalsContact O-N 3.13Å; L385-W389 HydrophobicContact CD1-CZ2 4.24Å; L385-W389 HydrophobicContact CD2-CH2 3.98Å; L385-W389 HydrophobicContact CD2-CZ2 3.42Å; L385-W389 VanDerWaalsContact CD2-CZ2 3.42Å; L385-W389 HydrophobicContact CG-CD2 4.32Å; L385-W389 HydrophobicContact CG-CH2 4.24Å; L385-W389 HydrophobicContact CG-CZ2 3.53Å; L385-W389 PolarHBondContact O-N 2.94Å; L385-E404 WeakPolarHBondContact CD1-OE2 3.25Å; L385-I408 HydrophobicContact CD2-CD1 4.17Å
386A91.9Very high88.5Confident11 Ų1175.3 Ų75.39%0.09138%0.38CS..Hα-helixtrans-59.4-41.7174.300000111.8I381 N382 W389 I390 L445I381-A386 HydrophobicContact CG2-CB 4.1Å; N382-A386 PolarHBondContact O-N 3.16Å; A386-W389 PolarHBondContact O-N 3.13Å; A386-I390 WeakPolarHBondContact O-CD1 3.15Å; A386-I390 VanDerWaalsContact O-CG1 3.22Å; A386-I390 WeakPolarHBondContact O-CG1 3.31Å; A386-I390 PolarHBondContact O-N 2.76Å; A386-I390 VanDerWaalsContact O-N 3.1Å; A386-L445 HydrophobicContact CB-CD2 4.36Å
387K92.6Very high89Confident142 Ų14277.6 Ų77.662%0.61739%0.387SS*.Hα-helixtrans-63.8-42174.3-74.3175.2-176.8-179.50111.9Q383 S384 L385 I390 A391Q383-K387 WeakPolarHBondContact O-CB 3.43Å; Q383-K387 VanDerWaalsContact O-CG 3.26Å; Q383-K387 WeakPolarHBondContact O-CG 3.36Å; Q383-K387 PolarHBondContact O-N 3.16Å; Q383-K387 VanDerWaalsContact O-N 3.16Å; S384-K387 PolarHBondContact O-N 2.9Å; L385-K387 VanDerWaalsContact C-N 3.31Å; L385-K387 PolarHBondContact O-N 3.21Å; K387-I390 PolarHBondContact O-N 2.84Å; K387-A391 WeakPolarHBondContact O-CB 3.3Å; K387-A391 PolarHBondContact O-N 2.94Å
388K93.5Very high89.2Confident79 Ų7974.3 Ų74.334%0.34337%0.373SS..Hα-helixtrans-57.6-48175.7-177.1-169.9173.1-165.80110.9S384 L385 I390 A391 A392 E400 E404S384-K388 PolarHBondContact O-N 3.29Å; L385-K388 HydrophobicContact CD1-CD 4.31Å; L385-K388 WeakPolarHBondContact O-CB 3.27Å; L385-K388 PolarHBondContact O-N 2.98Å; L385-K388 VanDerWaalsContact O-N 3.13Å; K388-I390 PolarHBondContact O-N 3.42Å; K388-A391 PolarHBondContact O-N 3.06Å; K388-A392 PolarHBondContact O-N 3.07Å; K388-E400 VanDerWaalsContact NZ-CD 3.31Å; K388-E400 IonicContact NZ-OE1 2.81Å; K388-E400 IonicContact NZ-OE2 3.47Å; K388-E400 PolarHBondContact NZ-OE2 3.1Å; K388-E404 IonicContact NZ-OE1 2.68Å
389W94.2Very high89Confident0 Ų077 Ų770%040%0.395CS..Hα-helixtrans-62.9-43178.8-62.1-18.6000113I381 L385 A386 A391 A392 A401 E404 I405 I408 F409 L445 I451I381-W389 HydrophobicContact CD1-CH2 4.36Å; I381-W389 HydrophobicContact CD1-CZ3 4.08Å; I381-W389 HydrophobicContact CG1-CH2 3.94Å; I381-W389 HydrophobicContact CG1-CZ3 4.06Å; I381-W389 HydrophobicContact CG2-CZ3 4.18Å; L385-W389 HydrophobicContact CD1-CZ2 4.24Å; L385-W389 HydrophobicContact CD2-CH2 3.98Å; L385-W389 HydrophobicContact CD2-CZ2 3.42Å; L385-W389 VanDerWaalsContact CD2-CZ2 3.42Å; L385-W389 HydrophobicContact CG-CD2 4.32Å; L385-W389 HydrophobicContact CG-CH2 4.24Å; L385-W389 HydrophobicContact CG-CZ2 3.53Å; L385-W389 PolarHBondContact O-N 2.94Å; A386-W389 PolarHBondContact O-N 3.13Å; W389-A391 VanDerWaalsContact C-N 3.29Å; W389-A391 PolarHBondContact O-N 3.48Å; W389-A392 WeakPolarHBondContact O-CB 3.5Å; W389-A392 PolarHBondContact O-N 3.27Å; W389-A401 HydrophobicContact CB-CB 4.49Å; W389-A401 VanDerWaalsContact CD1-CB 3.48Å; W389-A401 HydrophobicContact CG-CB 4.18Å; W389-E404 HydrophobicContact CZ2-CB 3.75Å; W389-E404 PolarHBondContact NE1-OE2 3.5Å; W389-I405 HydrophobicContact CB-CD1 4.34Å; W389-I405 HydrophobicContact CD2-CD1 4.06Å; W389-I405 HydrophobicContact CD2-CG1 3.71Å; W389-I405 HydrophobicContact CE3-CD1 4.19Å; W389-I405 HydrophobicContact CE3-CG1 3.72Å; W389-I405 HydrophobicContact CG-CD1 4.15Å; W389-I405 HydrophobicContact CG-CG1 4.27Å; W389-I405 HydrophobicContact CH2-CG1 4.11Å; W389-I405 HydrophobicContact CZ2-CG1 4.1Å; W389-I405 HydrophobicContact CZ3-CG1 3.93Å; W389-I408 HydrophobicContact CH2-CD1 3.66Å; W389-I408 HydrophobicContact CZ2-CD1 3.88Å; W389-F409 HydrophobicContact CZ3-CE2 4.28Å; W389-L445 HydrophobicContact CE3-CD1 4.18Å; W389-L445 HydrophobicContact CE3-CD2 3.93Å; W389-L445 HydrophobicContact CZ3-CD1 4.09Å; W389-I451 HydrophobicContact CB-CD1 4.23Å
390I92.1Very high88.9Confident69 Ų6980.4 Ų80.435%0.35441%0.409SS..Hα-helixtrans-65.1-36.1178.7-66.3164.9000111A386 K387 K388 K444 L445 V448A386-I390 WeakPolarHBondContact O-CD1 3.15Å; A386-I390 VanDerWaalsContact O-CG1 3.22Å; A386-I390 WeakPolarHBondContact O-CG1 3.31Å; A386-I390 PolarHBondContact O-N 2.76Å; A386-I390 VanDerWaalsContact O-N 3.1Å; K387-I390 PolarHBondContact O-N 2.84Å; K388-I390 PolarHBondContact O-N 3.42Å; I390-K444 HydrophobicContact CD1-CB 4.22Å; I390-L445 HydrophobicContact CD1-CD2 4.23Å; I390-L445 HydrophobicContact CG1-CD2 4.04Å; I390-V448 HydrophobicContact CB-CG2 4.49Å; I390-V448 HydrophobicContact CG1-CG2 4.08Å; I390-V448 HydrophobicContact CG2-CG2 4.15Å
391A90.9Very high88.9Confident65 Ų6576.1 Ų76.154%0.53739%0.393SS..Hα-helixtrans-81-13.1179.700000114.1K387 K388 W389 K393K387-A391 WeakPolarHBondContact O-CB 3.3Å; K387-A391 PolarHBondContact O-N 2.94Å; K388-A391 PolarHBondContact O-N 3.06Å; W389-A391 VanDerWaalsContact C-N 3.29Å; W389-A391 PolarHBondContact O-N 3.48Å; A391-K393 PolarHBondContact O-N 2.94Å; A391-K393 VanDerWaalsContact O-N 3.15Å
392A89.6Confident88.9Confident7 Ų780 Ų806%0.05841%0.41CS..  trans-64.1114.1-174.300000111.7K388 W389 E397 A401 W450K388-A392 PolarHBondContact O-N 3.07Å; W389-A392 WeakPolarHBondContact O-CB 3.5Å; W389-A392 PolarHBondContact O-N 3.27Å; A392-E397 HydrophobicContact CB-CB 4.44Å; A392-A401 HydrophobicContact CB-CB 4.28Å; A392-W450 HydrophobicContact CB-CZ2 4.49Å
393K80.2Confident89.2Confident185 Ų18586.2 Ų86.280%0.80443%0.428SS*.  trans-124-22.3179.8-68.9177.7-175.6-179.30113.5A391A391-K393 PolarHBondContact O-N 2.94Å; A391-K393 VanDerWaalsContact O-N 3.15Å
394I76.3Confident89.6Confident109 Ų10981.7 Ų81.756%0.55941%0.407SS*.SBendtrans-93.5145-174.9-57.6172.6000110.1K396 E397 L398I394-K396 VanDerWaalsContact C-N 3.32Å; I394-K396 PolarHBondContact O-N 3.13Å; I394-K396 VanDerWaalsContact O-N 3.14Å; I394-E397 PolarHBondContact O-N 3.15Å; I394-L398 VanDerWaalsContact O-CB 3.26Å; I394-L398 WeakPolarHBondContact O-CB 3.49Å; I394-L398 PolarHBondContact O-N 2.81Å
395N79.3Confident89.9Confident140 Ų14077.7 Ų77.775%0.74938%0.379SS*.Hα-helixtrans-51.4-41-173.2-76.5-16.5000115.1A399N395-A399 WeakPolarHBondContact O-CB 3.44Å; N395-A399 PolarHBondContact O-N 3.17Å
396K84.5Confident90.1Very high182 Ų18279.3 Ų79.379%0.79139%0.387SS*.Hα-helixtrans-72.5-47.9-178.9-170.7-179.4177.3-174.80112.3I394 L398 A399 E400I394-K396 VanDerWaalsContact C-N 3.32Å; I394-K396 PolarHBondContact O-N 3.13Å; I394-K396 VanDerWaalsContact O-N 3.14Å; K396-L398 VanDerWaalsContact C-N 3.29Å; K396-L398 PolarHBondContact O-N 3Å; K396-A399 PolarHBondContact O-N 2.72Å; K396-E400 PolarHBondContact O-N 3.39Å; K396-E400 VanDerWaalsContact O-N 3.08Å
397E86.3Confident90.2Very high90 Ų9081 Ų8142%0.42139%0.394SS..Hα-helixtrans-62.9-38.3177.3-63.9176.5166.500111.4A392 I394 E400 A401A392-E397 HydrophobicContact CB-CB 4.44Å; I394-E397 PolarHBondContact O-N 3.15Å; E397-E400 PolarHBondContact O-N 2.74Å; E397-A401 WeakPolarHBondContact O-CB 3.34Å; E397-A401 PolarHBondContact O-N 2.68Å
398L89.9Confident90.4Very high34 Ų3474.2 Ų74.218%0.17837%0.365CS..Hα-helixtrans-65.9-41.5176.5-176.565.1000111.8I394 K396 E400 A401 K402 W450I394-L398 VanDerWaalsContact O-CB 3.26Å; I394-L398 WeakPolarHBondContact O-CB 3.49Å; I394-L398 PolarHBondContact O-N 2.81Å; K396-L398 VanDerWaalsContact C-N 3.29Å; K396-L398 PolarHBondContact O-N 3Å; L398-E400 VanDerWaalsContact C-N 3.34Å; L398-A401 PolarHBondContact O-N 3.46Å; L398-K402 HydrophobicContact CG-CD 4.44Å; L398-K402 WeakPolarHBondContact O-CB 3.36Å; L398-K402 VanDerWaalsContact O-CG 3.25Å; L398-K402 WeakPolarHBondContact O-CG 3.25Å; L398-K402 PolarHBondContact O-N 2.79Å; L398-W450 HydrophobicContact CD1-CD2 3.82Å; L398-W450 VanDerWaalsContact CD1-CE2 3.49Å; L398-W450 HydrophobicContact CD1-CE3 4.01Å; L398-W450 HydrophobicContact CD1-CH2 3.66Å; L398-W450 HydrophobicContact CD1-CZ2 3.42Å; L398-W450 VanDerWaalsContact CD1-CZ2 3.42Å; L398-W450 HydrophobicContact CD1-CZ3 3.95Å
399A91.1Very high90.6Very high60 Ų6070.6 Ų70.650%0.49635%0.349SS..Hα-helixtrans-64.8-39.6176.900000112N395 K396 R403N395-A399 WeakPolarHBondContact O-CB 3.44Å; N395-A399 PolarHBondContact O-N 3.17Å; K396-A399 PolarHBondContact O-N 2.72Å; A399-R403 PolarHBondContact O-N 2.88Å; A399-R403 VanDerWaalsContact O-N 3.09Å
400E91.1Very high90.6Very high95 Ų9572 Ų7244%0.44436%0.359SS..Hα-helixtrans-64.9-50174.4-171.5177.5-140.100111.2K388 K396 E397 L398 K402 R403 E404K388-E400 VanDerWaalsContact NZ-CD 3.31Å; K388-E400 IonicContact NZ-OE1 2.81Å; K388-E400 IonicContact NZ-OE2 3.47Å; K388-E400 PolarHBondContact NZ-OE2 3.1Å; K396-E400 PolarHBondContact O-N 3.39Å; K396-E400 VanDerWaalsContact O-N 3.08Å; E397-E400 PolarHBondContact O-N 2.74Å; L398-E400 VanDerWaalsContact C-N 3.34Å; E400-K402 VanDerWaalsContact C-N 3.31Å; E400-K402 PolarHBondContact O-N 3.18Å; E400-R403 WeakPolarHBondContact O-CB 3.48Å; E400-R403 PolarHBondContact O-N 3.44Å; E400-E404 HydrophobicContact CG-CG 4.45Å; E400-E404 WeakPolarHBondContact O-CG 3.19Å; E400-E404 PolarHBondContact O-N 2.93Å
401A93.7Very high90.8Very high0 Ų069.3 Ų69.30%035%0.346CS..Hα-helixtrans-57.8-41.8176.800000112.2W389 A392 E397 L398 R403 E404 I405 W450W389-A401 HydrophobicContact CB-CB 4.49Å; W389-A401 VanDerWaalsContact CD1-CB 3.48Å; W389-A401 HydrophobicContact CG-CB 4.18Å; A392-A401 HydrophobicContact CB-CB 4.28Å; E397-A401 WeakPolarHBondContact O-CB 3.34Å; E397-A401 PolarHBondContact O-N 2.68Å; L398-A401 PolarHBondContact O-N 3.46Å; A401-R403 PolarHBondContact O-N 3.41Å; A401-E404 PolarHBondContact O-N 2.88Å; A401-I405 WeakPolarHBondContact O-CB 3.37Å; A401-I405 WeakPolarHBondContact O-CD1 3.48Å; A401-I405 WeakPolarHBondContact O-CG1 3.32Å; A401-I405 PolarHBondContact O-N 3.14Å; A401-W450 HydrophobicContact CB-CH2 3.93Å
402K94.6Very high91.1Very high93 Ų9366.6 Ų66.640%0.40432%0.324SS..Hα-helixtrans-60.1-43.8174.4-77.1176.9176.7-177.20112L398 E400 N406 W450 L454L398-K402 HydrophobicContact CG-CD 4.44Å; L398-K402 WeakPolarHBondContact O-CB 3.36Å; L398-K402 VanDerWaalsContact O-CG 3.25Å; L398-K402 WeakPolarHBondContact O-CG 3.25Å; L398-K402 PolarHBondContact O-N 2.79Å; E400-K402 VanDerWaalsContact C-N 3.31Å; E400-K402 PolarHBondContact O-N 3.18Å; K402-N406 VanDerWaalsContact O-CB 3.28Å; K402-N406 WeakPolarHBondContact O-CB 3.45Å; K402-N406 VanDerWaalsContact O-CG 3.24Å; K402-N406 PolarHBondContact O-N 3.4Å; K402-N406 PolarHBondContact O-ND2 2.83Å; K402-W450 HydrophobicContact CG-CE3 4.26Å; K402-W450 HydrophobicContact CG-CH2 4.35Å; K402-W450 HydrophobicContact CG-CZ3 3.61Å; K402-L454 HydrophobicContact CB-CD2 4.18Å; K402-L454 HydrophobicContact CG-CD2 3.96Å
403R93.1Very high91.4Very high198 Ų19866.4 Ų66.475%0.74732%0.322SS*.Hα-helixtrans-63.8-46.4177.5-178.3-172.9-77.3-179.4-4.8111.2A399 E400 A401 N406 L407A399-R403 PolarHBondContact O-N 2.88Å; A399-R403 VanDerWaalsContact O-N 3.09Å; E400-R403 WeakPolarHBondContact O-CB 3.48Å; E400-R403 PolarHBondContact O-N 3.44Å; A401-R403 PolarHBondContact O-N 3.41Å; R403-N406 PolarHBondContact O-N 3.01Å; R403-L407 WeakPolarHBondContact O-CB 3.29Å; R403-L407 PolarHBondContact O-N 3.18Å
404E94.9Very high92.1Very high43 Ų4357.6 Ų57.620%0.20128%0.284CS..Hα-helixtrans-64.4-43.3180-66.5169.6163.200111.6L385 K388 W389 E400 A401 L407 I408L385-E404 WeakPolarHBondContact CD1-OE2 3.25Å; K388-E404 IonicContact NZ-OE1 2.68Å; W389-E404 HydrophobicContact CZ2-CB 3.75Å; W389-E404 PolarHBondContact NE1-OE2 3.5Å; E400-E404 HydrophobicContact CG-CG 4.45Å; E400-E404 WeakPolarHBondContact O-CG 3.19Å; E400-E404 PolarHBondContact O-N 2.93Å; A401-E404 PolarHBondContact O-N 2.88Å; E404-L407 PolarHBondContact O-N 2.91Å; E404-I408 WeakPolarHBondContact O-CG1 3.48Å; E404-I408 PolarHBondContact O-N 2.91Å
405I96.1Very high93.1Very high0 Ų052.5 Ų52.50%026%0.257CS..Hα-helixtrans-62.3-47.6174.6-69.5164.3000110.5W389 A401 L407 I408 F409 W450 I451 L454 I455W389-I405 HydrophobicContact CB-CD1 4.34Å; W389-I405 HydrophobicContact CD2-CD1 4.06Å; W389-I405 HydrophobicContact CD2-CG1 3.71Å; W389-I405 HydrophobicContact CE3-CD1 4.19Å; W389-I405 HydrophobicContact CE3-CG1 3.72Å; W389-I405 HydrophobicContact CG-CD1 4.15Å; W389-I405 HydrophobicContact CG-CG1 4.27Å; W389-I405 HydrophobicContact CH2-CG1 4.11Å; W389-I405 HydrophobicContact CZ2-CG1 4.1Å; W389-I405 HydrophobicContact CZ3-CG1 3.93Å; A401-I405 WeakPolarHBondContact O-CB 3.37Å; A401-I405 WeakPolarHBondContact O-CD1 3.48Å; A401-I405 WeakPolarHBondContact O-CG1 3.32Å; A401-I405 PolarHBondContact O-N 3.14Å; I405-L407 VanDerWaalsContact C-N 3.3Å; I405-L407 PolarHBondContact O-N 3.25Å; I405-I408 PolarHBondContact O-N 2.91Å; I405-F409 HydrophobicContact CG2-CD2 3.78Å; I405-F409 HydrophobicContact CG2-CE2 4.28Å; I405-F409 WeakPolarHBondContact O-CB 3.29Å; I405-F409 WeakPolarHBondContact O-CD2 3.36Å; I405-F409 PolarHBondContact O-N 3.3Å; I405-W450 HydrophobicContact CD1-CH2 3.68Å; I405-W450 HydrophobicContact CD1-CZ3 3.92Å; I405-I451 HydrophobicContact CD1-CD1 4.32Å; I405-I451 HydrophobicContact CD1-CG1 4.16Å; I405-I451 HydrophobicContact CD1-CG2 4.15Å; I405-L454 HydrophobicContact CB-CD2 4.01Å; I405-L454 HydrophobicContact CD1-CD2 4.38Å; I405-L454 HydrophobicContact CG2-CD2 3.73Å; I405-L454 HydrophobicContact CG2-CG 4.08Å; I405-I455 HydrophobicContact CG2-CG1 3.94Å
406N95.8Very high93.8Very high64 Ų6445.8 Ų45.834%0.34222%0.222SC..Hα-helixtrans-57.1-45177.7-82.2-27.3000111.7K402 R403 S410 L454 C458K402-N406 VanDerWaalsContact O-CB 3.28Å; K402-N406 WeakPolarHBondContact O-CB 3.45Å; K402-N406 VanDerWaalsContact O-CG 3.24Å; K402-N406 PolarHBondContact O-N 3.4Å; K402-N406 PolarHBondContact O-ND2 2.83Å; R403-N406 PolarHBondContact O-N 3.01Å; N406-S410 WeakPolarHBondContact O-CB 3.4Å; N406-S410 PolarHBondContact O-N 3.28Å; N406-S410 PolarHBondContact O-OG 3.13Å; N406-L454 WeakPolarHBondContact OD1-CD1 3.49Å; N406-C458 PolarHBondContact OD1-SG 2.98Å
407L94.9Very high94.3Very high45 Ų4537.6 Ų37.624%0.23619%0.188CC..Hα-helixtrans-62.3-52.9179.2-176.270.1000111.4E143 D144 S379 R403 E404 I405E143-L407 HydrophobicContact CB-CD2 4.45Å; E143-L407 HydrophobicContact CG-CD2 3.99Å; E143-L407 WeakPolarHBondContact OE2-CD2 3.16Å; D144-L407 HydrophobicContact CB-CD1 3.79Å; D144-L407 HydrophobicContact CB-CG 4.5Å; S379-L407 VanDerWaalsContact OG-CD2 3.25Å; S379-L407 WeakPolarHBondContact OG-CD2 3.35Å; R403-L407 WeakPolarHBondContact O-CB 3.29Å; R403-L407 PolarHBondContact O-N 3.18Å; E404-L407 PolarHBondContact O-N 2.91Å; I405-L407 VanDerWaalsContact C-N 3.3Å; I405-L407 PolarHBondContact O-N 3.25Å
408I96.5Very high94.7Very high1 Ų133.9 Ų33.91%0.00517%0.172CC..Hα-helixtrans-69.8-48.1-172.9-70165.7000111.2I381 L385 W389 E404 I405 S410 S411 C414 L415I381-I408 HydrophobicContact CD1-CG2 4.04Å; I381-I408 HydrophobicContact CG1-CD1 4.3Å; I381-I408 HydrophobicContact CG1-CG2 3.73Å; L385-I408 HydrophobicContact CD2-CD1 4.17Å; W389-I408 HydrophobicContact CH2-CD1 3.66Å; W389-I408 HydrophobicContact CZ2-CD1 3.88Å; E404-I408 WeakPolarHBondContact O-CG1 3.48Å; E404-I408 PolarHBondContact O-N 2.91Å; I405-I408 PolarHBondContact O-N 2.91Å; I408-S410 PolarHBondContact O-N 2.91Å; I408-S411 PolarHBondContact O-N 3.01Å; I408-C414 HydrophobicContact CB-CB 4.4Å; I408-C414 HydrophobicContact CG1-CB 4.39Å; I408-C414 HydrophobicContact CG2-CB 4.18Å; I408-L415 HydrophobicContact CG2-CD2 4.14Å; I408-L415 HydrophobicContact CG2-CG 4.46Å
409F96.7Very high94.9Very high2 Ų232.5 Ų32.51%0.00916%0.164CC..Hα-helixtrans-75.5-8.6-176.3-77.9-90.7000114.2I381 W389 I405 L415 F442 L445 I455 C458 L459I381-F409 HydrophobicContact CD1-CE2 3.82Å; I381-F409 HydrophobicContact CD1-CZ 3.85Å; W389-F409 HydrophobicContact CZ3-CE2 4.28Å; I405-F409 HydrophobicContact CG2-CD2 3.78Å; I405-F409 HydrophobicContact CG2-CE2 4.28Å; I405-F409 WeakPolarHBondContact O-CB 3.29Å; I405-F409 WeakPolarHBondContact O-CD2 3.36Å; I405-F409 PolarHBondContact O-N 3.3Å; F409-L415 HydrophobicContact CD1-CD1 4.35Å; F409-L415 HydrophobicContact CD1-CD2 3.89Å; F409-L415 HydrophobicContact CE1-CD2 3.96Å; F409-L415 HydrophobicContact CG-CD2 4.34Å; F409-L415 HydrophobicContact CZ-CD2 4.44Å; F409-F442 AromaticContact CE1-CD1 3.94Å; F409-F442 HydrophobicContact CE1-CD1 3.94Å; F409-F442 AromaticContact CE1-CE1 3.63Å; F409-F442 HydrophobicContact CE1-CE1 3.63Å; F409-F442 HydrophobicContact CZ-CD1 4.12Å; F409-F442 AromaticContact CZ-CE1 3.98Å; F409-F442 HydrophobicContact CZ-CE1 3.98Å; F409-L445 HydrophobicContact CE2-CD1 4.18Å; F409-L445 HydrophobicContact CZ-CD1 3.9Å; F409-I455 HydrophobicContact CD1-CB 4.39Å; F409-I455 HydrophobicContact CD1-CD1 4.32Å; F409-I455 HydrophobicContact CD1-CG1 4.1Å; F409-I455 HydrophobicContact CD1-CG2 3.55Å; F409-I455 HydrophobicContact CD2-CD1 4.36Å; F409-I455 HydrophobicContact CD2-CG1 4.04Å; F409-I455 HydrophobicContact CE1-CD1 3.79Å; F409-I455 HydrophobicContact CE1-CG1 4.08Å; F409-I455 HydrophobicContact CE1-CG2 3.76Å; F409-I455 HydrophobicContact CE2-CD1 3.82Å; F409-I455 HydrophobicContact CE2-CG1 4.02Å; F409-I455 HydrophobicContact CG-CG1 4.06Å; F409-I455 HydrophobicContact CG-CG2 4.18Å; F409-I455 HydrophobicContact CZ-CD1 3.51Å; F409-I455 HydrophobicContact CZ-CG1 4.04Å; F409-C458 HydrophobicContact CB-CB 3.7Å; F409-L459 HydrophobicContact CD1-CD2 4.48Å
410S96.1Very high94.9Very high29 Ų2931.4 Ų31.420%0.20315%0.15CC..THydrogen-bonded Turntrans-94.2-6.7172.5-55.50000113.1N406 I408 N462N406-S410 WeakPolarHBondContact O-CB 3.4Å; N406-S410 PolarHBondContact O-N 3.28Å; N406-S410 PolarHBondContact O-OG 3.13Å; I408-S410 PolarHBondContact O-N 2.91Å; S410-N462 PolarHBondContact OG-ND2 2.9Å
411S96.3Very high94.7Very high13 Ų1331.6 Ų31.69%0.09115%0.149CC..  trans-117.2123.2-178.8168.50000112.8D144 I408 A413 C414 L415 L463D144-S411 PolarHBondContact O-OG 3.39Å; I408-S411 PolarHBondContact O-N 3.01Å; S411-A413 VanDerWaalsContact C-N 3.27Å; S411-A413 PolarHBondContact O-N 3Å; S411-A413 PolarHBondContact OG-N 3.39Å; S411-C414 PolarHBondContact O-N 3.27Å; S411-C414 PolarHBondContact OG-N 3.47Å; S411-L415 PolarHBondContact O-N 3.19Å; S411-L415 VanDerWaalsContact O-N 3.08Å; S411-L463 VanDerWaalsContact C-CD1 3.47Å
412S95.9Very high93.6Very high9 Ų940.5 Ų40.56%0.06319%0.188CC..Hα-helixtrans-60.2-37.8173.6-650000111.8T416 L463S412-T416 VanDerWaalsContact O-CB 3.29Å; S412-T416 WeakPolarHBondContact O-CB 3.25Å; S412-T416 PolarHBondContact O-N 3.17Å; S412-T416 PolarHBondContact O-OG1 3.46Å; S412-L463 WeakPolarHBondContact OG-CD1 3.27Å
413A95.4Very high92Very high2 Ų241.4 Ų41.42%0.01719%0.189CC..Hα-helixtrans-67.6-45.9179.400000111.4I179 I378 S411 T416 A417I179-A413 WeakPolarHBondContact O-CB 3.17Å; I378-A413 HydrophobicContact CD1-CB 4.23Å; S411-A413 VanDerWaalsContact C-N 3.27Å; S411-A413 PolarHBondContact O-N 3Å; S411-A413 PolarHBondContact OG-N 3.39Å; A413-T416 PolarHBondContact O-N 3.23Å; A413-A417 WeakPolarHBondContact O-CB 3.4Å; A413-A417 PolarHBondContact O-N 2.86Å
414C96.4Very high89.8Confident0 Ų038 Ų380%019%0.186CC..Hα-helixtrans-64.6-45.4178.8-72.50000112.8D144 S379 I408 S411 A417 S418D144-C414 VanDerWaalsContact CA-SG 3.55Å; S379-C414 WeakPolarHBondContact O-CA 3.45Å; S379-C414 WeakPolarHBondContact O-CB 3.27Å; S379-C414 PolarHBondContact O-SG 3Å; I408-C414 HydrophobicContact CB-CB 4.4Å; I408-C414 HydrophobicContact CG1-CB 4.39Å; I408-C414 HydrophobicContact CG2-CB 4.18Å; S411-C414 PolarHBondContact O-N 3.27Å; S411-C414 PolarHBondContact OG-N 3.47Å; C414-A417 PolarHBondContact O-N 3.19Å; C414-S418 PolarHBondContact O-N 3.14Å; C414-S418 PolarHBondContact O-OG 3.31Å
415L95.7Very high87.3Confident2 Ų241.9 Ų41.91%0.0121%0.212CC..Hα-helixtrans-63.4-44.9177-81.7173.2000111.5I381 I408 F409 S411 S418 F419 F442 L463 I479I381-L415 HydrophobicContact CD1-CD2 4.48Å; I408-L415 HydrophobicContact CG2-CD2 4.14Å; I408-L415 HydrophobicContact CG2-CG 4.46Å; F409-L415 HydrophobicContact CD1-CD1 4.35Å; F409-L415 HydrophobicContact CD1-CD2 3.89Å; F409-L415 HydrophobicContact CE1-CD2 3.96Å; F409-L415 HydrophobicContact CG-CD2 4.34Å; F409-L415 HydrophobicContact CZ-CD2 4.44Å; S411-L415 PolarHBondContact O-N 3.19Å; S411-L415 VanDerWaalsContact O-N 3.08Å; L415-S418 WeakPolarHBondContact O-CB 3.32Å; L415-S418 PolarHBondContact O-N 2.96Å; L415-F419 HydrophobicContact CD2-CE2 4.5Å; L415-F419 VanDerWaalsContact O-CD2 3.27Å; L415-F419 WeakPolarHBondContact O-CD2 3.44Å; L415-F442 HydrophobicContact CD2-CE1 4.14Å; L415-F442 HydrophobicContact CD2-CZ 4.28Å; L415-L463 HydrophobicContact CD1-CD1 4.42Å; L415-L463 HydrophobicContact CD1-CD2 3.61Å; L415-I479 HydrophobicContact CB-CD1 3.76Å; L415-I479 HydrophobicContact CD1-CD1 4.04Å
416T95.1Very high84.8Confident0 Ų054 Ų540%026%0.258CS..Hα-helixtrans-60.7-48.5176.9-56.10000110.7P180 S412 A413 S418 F419 L420 V433 L478P180-T416 HydrophobicContact CG-CG2 3.99Å; S412-T416 VanDerWaalsContact O-CB 3.29Å; S412-T416 WeakPolarHBondContact O-CB 3.25Å; S412-T416 PolarHBondContact O-N 3.17Å; S412-T416 PolarHBondContact O-OG1 3.46Å; A413-T416 PolarHBondContact O-N 3.23Å; T416-S418 PolarHBondContact O-N 2.93Å; T416-S418 VanDerWaalsContact O-N 3.17Å; T416-F419 PolarHBondContact O-N 3.31Å; T416-F419 VanDerWaalsContact O-N 3.12Å; T416-L420 HydrophobicContact CG2-CD2 4.14Å; T416-L420 WeakPolarHBondContact O-CG 3.41Å; T416-L420 PolarHBondContact O-N 2.73Å; T416-V433 HydrophobicContact CG2-CG1 4.31Å; T416-L478 HydrophobicContact CG2-CB 3.81Å; T416-L478 HydrophobicContact CG2-CD1 4.18Å
417A94.4Very high82.4Confident9 Ų958.2 Ų58.27%0.07428%0.276CS..Hα-helixtrans-59-28.1177.700000114.3P180 L196 I378 A413 C414 F419P180-A417 HydrophobicContact CB-CB 3.8Å; L196-A417 HydrophobicContact CD1-CB 3.53Å; I378-A417 HydrophobicContact CD1-CB 3.76Å; I378-A417 HydrophobicContact CG1-CB 4.13Å; A413-A417 WeakPolarHBondContact O-CB 3.4Å; A413-A417 PolarHBondContact O-N 2.86Å; C414-A417 PolarHBondContact O-N 3.19Å; A417-F419 PolarHBondContact O-N 3.46Å
418S95.3Very high80.1Confident12 Ų1264.6 Ų64.68%0.08430%0.304CS..Hα-helixtrans-68.6-23.4179.6-59.40000113.4R380 I381 C414 L415 T416R380-S418 WeakPolarHBondContact CA-OG 3.21Å; I381-S418 PolarHBondContact N-OG 3.09Å; C414-S418 PolarHBondContact O-N 3.14Å; C414-S418 PolarHBondContact O-OG 3.31Å; L415-S418 WeakPolarHBondContact O-CB 3.32Å; L415-S418 PolarHBondContact O-N 2.96Å; T416-S418 PolarHBondContact O-N 2.93Å; T416-S418 VanDerWaalsContact O-N 3.17Å
419F94.6Very high78.1Confident5 Ų568.6 Ų68.62%0.02233%0.326CS..THydrogen-bonded Turntrans-128.418.1-171.7-55.6-66.8000113.3I381 L415 T416 A417 V433 D434 M437 A438 V441 F442 L482I381-F419 HydrophobicContact CD1-CZ 4.21Å; L415-F419 HydrophobicContact CD2-CE2 4.5Å; L415-F419 VanDerWaalsContact O-CD2 3.27Å; L415-F419 WeakPolarHBondContact O-CD2 3.44Å; T416-F419 PolarHBondContact O-N 3.31Å; T416-F419 VanDerWaalsContact O-N 3.12Å; A417-F419 PolarHBondContact O-N 3.46Å; F419-V433 CarbonylContact O-C 3.57Å; F419-V433 VanDerWaalsContact O-CA 3.31Å; F419-V433 WeakPolarHBondContact O-CA 3.34Å; F419-D434 PolarHBondContact O-N 3.11Å; F419-M437 HydrophobicContact CD1-CG 4.2Å; F419-M437 HydrophobicContact CE1-CG 4.47Å; F419-A438 HydrophobicContact CB-CB 4.33Å; F419-A438 HydrophobicContact CD1-CB 3.84Å; F419-A438 HydrophobicContact CD2-CB 3.96Å; F419-A438 HydrophobicContact CE1-CB 4.11Å; F419-A438 HydrophobicContact CE2-CB 4.22Å; F419-A438 HydrophobicContact CG-CB 3.76Å; F419-A438 HydrophobicContact CZ-CB 4.28Å; F419-V441 HydrophobicContact CE1-CB 3.94Å; F419-V441 HydrophobicContact CE1-CG1 4.21Å; F419-V441 HydrophobicContact CE1-CG2 4.08Å; F419-V441 HydrophobicContact CZ-CB 4.14Å; F419-V441 HydrophobicContact CZ-CG1 4.05Å; F419-F442 HydrophobicContact CD2-CZ 4.35Å; F419-F442 AromaticContact CE2-CE1 3.72Å; F419-F442 HydrophobicContact CE2-CE1 3.72Å; F419-F442 HydrophobicContact CE2-CE2 4.38Å; F419-F442 AromaticContact CE2-CZ 3.53Å; F419-F442 HydrophobicContact CE2-CZ 3.53Å; F419-F442 AromaticContact CZ-CE1 3.9Å; F419-F442 HydrophobicContact CZ-CE1 3.9Å; F419-F442 HydrophobicContact CZ-CZ 4.05Å; F419-L482 HydrophobicContact CB-CD2 3.87Å; F419-L482 HydrophobicContact CD2-CD1 4.27Å; F419-L482 HydrophobicContact CD2-CD2 4Å; F419-L482 HydrophobicContact CG-CD2 4.19Å
420L90.7Very high76.3Confident37 Ų3774.2 Ų74.219%0.19435%0.35CS..BIsolated β-bridgetrans-64.7135.6171.7-70.9176.9000110.9P180 L196 T197 T416 D432 V433 L478P180-L420 HydrophobicContact CB-CD1 4.32Å; P180-L420 HydrophobicContact CG-CD1 4.08Å; L196-L420 HydrophobicContact CB-CD1 3.59Å; T197-L420 HydrophobicContact CG2-CD1 3.91Å; T197-L420 HydrophobicContact CG2-CD2 3.66Å; T197-L420 HydrophobicContact CG2-CG 4.44Å; T416-L420 HydrophobicContact CG2-CD2 4.14Å; T416-L420 WeakPolarHBondContact O-CG 3.41Å; T416-L420 PolarHBondContact O-N 2.73Å; L420-D432 WeakPolarHBondContact CA-O 3.37Å; L420-V433 HydrophobicContact CD2-CG1 4.09Å; L420-L478 HydrophobicContact CD2-CD1 4.28Å
421K87.3Confident75.1Confident99 Ų9973.5 Ų73.543%0.4335%0.345SS..PPolyproline II helixtrans-65.6145.4173.7-72.1176.2178.8164.50110.2R423 V431 D432 V433 D434K421-R423 PolarHBondContact O-N 3.05Å; K421-V431 PolarHBondContact NZ-O 3.39Å; K421-V431 VanDerWaalsContact NZ-O 3.08Å; K421-D432 PolarHBondContact N-O 3.22Å; K421-V433 VanDerWaalsContact CE-O 3.25Å; K421-V433 WeakPolarHBondContact CE-O 3.39Å; K421-D434 HydrophobicContact CG-CB 4.11Å
422K70.1Confident74.4Confident187 Ų18776.1 Ų76.181%0.81336%0.358SS*.PPolyproline II helixtrans-71.2127.6170.8-69.4-175.1179.8-179.30108.6D424K422-D424 PolarHBondContact O-N 2.95Å
423R59.8Low74.1Confident112 Ų11275.7 Ų75.742%0.42336%0.355SS..  trans-65.191.3175.1-81.3177.1162.3-166.6-15.1110.6T197 K252 K421T197-R423 PolarHBondContact O-NE 2.86Å; T197-R423 PolarHBondContact O-NH2 2.94Å; K252-R423 PolarHBondContact NZ-O 3.2Å; K421-R423 PolarHBondContact O-N 3.05Å
424D47.5Very low74Confident127 Ų12777.9 Ų77.968%0.67937%0.366SS*.  trans-109.9109.5162.4-71.9-31.2000108.1K422K422-D424 PolarHBondContact O-N 2.95Å
425T41.8Very low73.9Confident125 Ų12578.5 Ų78.577%0.76737%0.37SS*.SBendtrans45111.9165.548.10000120.1E427T425-E427 VanDerWaalsContact C-N 3.27Å; T425-E427 PolarHBondContact O-N 2.98Å
426R45.1Very low73.7Confident254 Ų25481.3 Ų81.396%0.95839%0.387SS*.  trans52.48.1139.2-68.1-171.9-179.7-179.50.5120.8
427E44.7Very low73.6Confident153 Ų15385 Ų8572%0.71541%0.405SS*.  trans-88.3118.5168-73.9-174.817700110.6T425 N429T425-E427 VanDerWaalsContact C-N 3.27Å; T425-E427 PolarHBondContact O-N 2.98Å; E427-N429 PolarHBondContact O-N 3.24Å; E427-N429 PolarHBondContact OE2-ND2 2.47Å; E427-N429 VanDerWaalsContact OE2-ND2 3.08Å
428E47.7Very low73.6Confident179 Ų17984.6 Ų84.684%0.83640%0.402SS*.  trans-71.765.2169.2-68.1-173.8165.100110.2
429N53.7Low73.6Confident84 Ų8486.9 Ų86.945%0.44941%0.408SS..  trans-80.7122.9171.1-77.4-37000109.1E427 V431E427-N429 PolarHBondContact O-N 3.24Å; E427-N429 PolarHBondContact OE2-ND2 2.47Å; E427-N429 VanDerWaalsContact OE2-ND2 3.08Å; N429-V431 PolarHBondContact O-N 2.98Å; N429-V431 VanDerWaalsContact O-N 3.13Å
430F59.7Low73.6Confident121 Ų12190.6 Ų90.653%0.53143%0.428SS..SBendtrans-66.4-11.5178.1-66-82.1000113.8
431V71.1Confident73.9Confident14 Ų1489.8 Ų89.89%0.08543%0.425CS..  trans-11797.4-177.4-176.50000110.4K421 N429 V433 L481 C520 L524K421-V431 PolarHBondContact NZ-O 3.39Å; K421-V431 VanDerWaalsContact NZ-O 3.08Å; N429-V431 PolarHBondContact O-N 2.98Å; N429-V431 VanDerWaalsContact O-N 3.13Å; V431-V433 VanDerWaalsContact C-N 3.26Å; V431-V433 HydrophobicContact CG1-CG2 3.66Å; V431-V433 PolarHBondContact O-N 3.17Å; V431-L481 HydrophobicContact CG1-CD1 3.94Å; V431-L481 HydrophobicContact CG2-CD1 4.17Å; V431-C520 HydrophobicContact CG2-CB 4.26Å; V431-L524 HydrophobicContact CG2-CD2 4.31Å
432D81.3Confident74.3Confident67 Ų6785.4 Ų85.436%0.35841%0.406SS..  trans-83.89.4-179.7-81-20.9000114.3L420 K421 L478L420-D432 WeakPolarHBondContact CA-O 3.37Å; K421-D432 PolarHBondContact N-O 3.22Å; D432-L478 HydrophobicContact CB-CD1 4.31Å
433V89.9Confident75.5Confident1 Ų183.3 Ų83.31%0.00640%0.397CS..BIsolated β-bridgetrans-111.3142.8178.1-69.90000112.9T416 F419 L420 K421 V431 L435 L478 L481 L482T416-V433 HydrophobicContact CG2-CG1 4.31Å; F419-V433 CarbonylContact O-C 3.57Å; F419-V433 VanDerWaalsContact O-CA 3.31Å; F419-V433 WeakPolarHBondContact O-CA 3.34Å; L420-V433 HydrophobicContact CD2-CG1 4.09Å; K421-V433 VanDerWaalsContact CE-O 3.25Å; K421-V433 WeakPolarHBondContact CE-O 3.39Å; V431-V433 VanDerWaalsContact C-N 3.26Å; V431-V433 HydrophobicContact CG1-CG2 3.66Å; V431-V433 PolarHBondContact O-N 3.17Å; V433-L435 HydrophobicContact CG2-CD2 3.69Å; V433-L435 HydrophobicContact CG2-CG 4.35Å; V433-L435 PolarHBondContact O-N 3.03Å; V433-L478 HydrophobicContact CG1-CB 4.04Å; V433-L478 HydrophobicContact CG1-CD1 4.16Å; V433-L481 HydrophobicContact CG2-CB 4.44Å; V433-L481 HydrophobicContact CG2-CD1 4.34Å; V433-L482 HydrophobicContact CB-CD2 4.19Å; V433-L482 HydrophobicContact CB-CG 4.46Å; V433-L482 HydrophobicContact CG1-CD1 4.16Å; V433-L482 HydrophobicContact CG1-CG 4.41Å; V433-L482 HydrophobicContact CG2-CD2 4.45Å
434D92.1Very high77.2Confident47 Ų4784.7 Ų84.725%0.25141%0.406SS..  trans-89.689.4174.5-172.4-20.1000110.4F419 K421 T436 M437 A438F419-D434 PolarHBondContact O-N 3.11Å; K421-D434 HydrophobicContact CG-CB 4.11Å; D434-T436 VanDerWaalsContact C-N 3.3Å; D434-T436 PolarHBondContact O-N 3.08Å; D434-T436 PolarHBondContact OD1-N 2.73Å; D434-M437 HydrophobicContact CB-CB 3.98Å; D434-M437 PolarHBondContact O-N 3.44Å; D434-M437 WeakPolarHBondContact OD1-CB 3.46Å; D434-M437 PolarHBondContact OD1-N 3.12Å; D434-M437 WeakPolarHBondContact OD2-CB 3.33Å; D434-A438 PolarHBondContact O-N 2.88Å
435L93.5Very high79.5Confident14 Ų1478.6 Ų78.67%0.07337%0.373CS..Hα-helixtrans-64.7-33.1-178.9-59.6-175.5000112.7V433 A438 R439 L481 L482 E485 L524V433-L435 HydrophobicContact CG2-CD2 3.69Å; V433-L435 HydrophobicContact CG2-CG 4.35Å; V433-L435 PolarHBondContact O-N 3.03Å; L435-A438 PolarHBondContact O-N 3.47Å; L435-R439 WeakPolarHBondContact O-CB 3.4Å; L435-R439 PolarHBondContact O-N 3.04Å; L435-L481 HydrophobicContact CD2-CB 4.03Å; L435-L482 HydrophobicContact CD2-CD2 3.92Å; L435-L482 HydrophobicContact CD2-CG 4.48Å; L435-E485 HydrophobicContact CB-CG 4.13Å; L435-E485 HydrophobicContact CD2-CG 4.19Å; L435-L524 HydrophobicContact CD1-CD2 3.52Å
436T92.8Very high82Confident61 Ų6173.7 Ų73.737%0.37434%0.343SS..Hα-helixtrans-68.6-43.2178.4-65.20000110.9D434 N440D434-T436 VanDerWaalsContact C-N 3.3Å; D434-T436 PolarHBondContact O-N 3.08Å; D434-T436 PolarHBondContact OD1-N 2.73Å; T436-N440 WeakPolarHBondContact O-CB 3.22Å; T436-N440 VanDerWaalsContact O-CG 3.3Å; T436-N440 PolarHBondContact O-N 3.38Å; T436-N440 VanDerWaalsContact O-N 3.09Å; T436-N440 PolarHBondContact O-ND2 3.22Å
437M92.9Very high84.4Confident78 Ų7865.5 Ų65.538%0.38433%0.33SS..Hα-helixtrans-62.1-45.6172.6-174.9178.2-60.600111.1F419 D434 N440 V441F419-M437 HydrophobicContact CD1-CG 4.2Å; F419-M437 HydrophobicContact CE1-CG 4.47Å; D434-M437 HydrophobicContact CB-CB 3.98Å; D434-M437 PolarHBondContact O-N 3.44Å; D434-M437 WeakPolarHBondContact OD1-CB 3.46Å; D434-M437 PolarHBondContact OD1-N 3.12Å; D434-M437 WeakPolarHBondContact OD2-CB 3.33Å; M437-N440 PolarHBondContact O-N 2.64Å; M437-V441 HydrophobicContact CG-CG2 4.36Å; M437-V441 WeakPolarHBondContact O-CG2 3.44Å; M437-V441 PolarHBondContact O-N 3.43Å
438A95.1Very high86.8Confident0 Ų059.6 Ų59.60%030%0.304CS..Hα-helixtrans-56.9-52.9177.400000111.8F419 D434 L435 N440 V441 F442 L482F419-A438 HydrophobicContact CB-CB 4.33Å; F419-A438 HydrophobicContact CD1-CB 3.84Å; F419-A438 HydrophobicContact CD2-CB 3.96Å; F419-A438 HydrophobicContact CE1-CB 4.11Å; F419-A438 HydrophobicContact CE2-CB 4.22Å; F419-A438 HydrophobicContact CG-CB 3.76Å; F419-A438 HydrophobicContact CZ-CB 4.28Å; D434-A438 PolarHBondContact O-N 2.88Å; L435-A438 PolarHBondContact O-N 3.47Å; A438-N440 VanDerWaalsContact C-N 3.3Å; A438-N440 PolarHBondContact O-N 2.87Å; A438-V441 PolarHBondContact O-N 2.87Å; A438-F442 HydrophobicContact CB-CD2 4.35Å; A438-F442 HydrophobicContact CB-CE2 3.95Å; A438-F442 WeakPolarHBondContact O-CB 3.26Å; A438-F442 VanDerWaalsContact O-CD2 3.24Å; A438-F442 WeakPolarHBondContact O-CD2 3.38Å; A438-F442 VanDerWaalsContact O-CG 3.27Å; A438-F442 WeakPolarHBondContact O-CG 3.19Å; A438-F442 PolarHBondContact O-N 3.4Å; A438-L482 HydrophobicContact CB-CD2 3.58Å
439R94.8Very high88.9Confident60 Ų6060.6 Ų60.623%0.22631%0.306CS..Hα-helixtrans-52.5-47176.5-173.7-174.5-64.31535.1111.9L435 K443 E485 S527 S528L435-R439 WeakPolarHBondContact O-CB 3.4Å; L435-R439 PolarHBondContact O-N 3.04Å; R439-K443 VanDerWaalsContact O-CB 3.24Å; R439-K443 WeakPolarHBondContact O-CB 3.33Å; R439-K443 PolarHBondContact O-N 2.68Å; R439-E485 HydrophobicContact CB-CB 4.26Å; R439-E485 IonicContact CZ-OE1 2.71Å; R439-E485 IonicContact CZ-OE2 3.46Å; R439-E485 IonicContact NE-OE2 2.67Å; R439-E485 PolarHBondContact NE-OE2 3.04Å; R439-E485 IonicContact NH2-OE1 3.83Å; R439-E485 PolarHBondContact NH2-OE1 3.15Å; R439-E485 IonicContact NH2-OE2 2.76Å; R439-E485 PolarHBondContact NH2-OE2 3.19Å; R439-S527 PolarHBondContact NH1-OG 3.1Å; R439-S528 PolarHBondContact NH2-OG 3.27Å
440N94.7Very high90.8Very high82 Ų8259.8 Ų59.844%0.43930%0.296SS..Hα-helixtrans-67.1-41.3-178.9-77.1-36.1000113T436 M437 A438 K444T436-N440 WeakPolarHBondContact O-CB 3.22Å; T436-N440 VanDerWaalsContact O-CG 3.3Å; T436-N440 PolarHBondContact O-N 3.38Å; T436-N440 VanDerWaalsContact O-N 3.09Å; T436-N440 PolarHBondContact O-ND2 3.22Å; M437-N440 PolarHBondContact O-N 2.64Å; A438-N440 VanDerWaalsContact C-N 3.3Å; A438-N440 PolarHBondContact O-N 2.87Å; N440-K444 WeakPolarHBondContact O-CG 3.22Å; N440-K444 PolarHBondContact O-N 3.43Å
441V95.6Very high92.5Very high21 Ų2154 Ų5413%0.12727%0.271CS..Hα-helixtrans-68.7-47.9177.71700000110.4I381 F419 M437 A438 K443 K444 L445I381-V441 HydrophobicContact CG2-CG1 4.04Å; F419-V441 HydrophobicContact CE1-CB 3.94Å; F419-V441 HydrophobicContact CE1-CG1 4.21Å; F419-V441 HydrophobicContact CE1-CG2 4.08Å; F419-V441 HydrophobicContact CZ-CB 4.14Å; F419-V441 HydrophobicContact CZ-CG1 4.05Å; M437-V441 HydrophobicContact CG-CG2 4.36Å; M437-V441 WeakPolarHBondContact O-CG2 3.44Å; M437-V441 PolarHBondContact O-N 3.43Å; A438-V441 PolarHBondContact O-N 2.87Å; V441-K443 PolarHBondContact O-N 3.09Å; V441-K444 PolarHBondContact O-N 2.94Å; V441-L445 HydrophobicContact CG1-CD1 3.85Å; V441-L445 HydrophobicContact CG1-CG 4.32Å; V441-L445 WeakPolarHBondContact O-CG 3.34Å; V441-L445 PolarHBondContact O-N 3.37Å
442F96.1Very high93.6Very high6 Ų654.6 Ų54.63%0.02628%0.276CS..Hα-helixtrans-58.2-47.8177.1-64.5-33.6000111.2F409 L415 F419 A438 K444 L445 T446 E485 C486F409-F442 AromaticContact CE1-CD1 3.94Å; F409-F442 HydrophobicContact CE1-CD1 3.94Å; F409-F442 AromaticContact CE1-CE1 3.63Å; F409-F442 HydrophobicContact CE1-CE1 3.63Å; F409-F442 HydrophobicContact CZ-CD1 4.12Å; F409-F442 AromaticContact CZ-CE1 3.98Å; F409-F442 HydrophobicContact CZ-CE1 3.98Å; L415-F442 HydrophobicContact CD2-CE1 4.14Å; L415-F442 HydrophobicContact CD2-CZ 4.28Å; F419-F442 HydrophobicContact CD2-CZ 4.35Å; F419-F442 AromaticContact CE2-CE1 3.72Å; F419-F442 HydrophobicContact CE2-CE1 3.72Å; F419-F442 HydrophobicContact CE2-CE2 4.38Å; F419-F442 AromaticContact CE2-CZ 3.53Å; F419-F442 HydrophobicContact CE2-CZ 3.53Å; F419-F442 AromaticContact CZ-CE1 3.9Å; F419-F442 HydrophobicContact CZ-CE1 3.9Å; F419-F442 HydrophobicContact CZ-CZ 4.05Å; A438-F442 HydrophobicContact CB-CD2 4.35Å; A438-F442 HydrophobicContact CB-CE2 3.95Å; A438-F442 WeakPolarHBondContact O-CB 3.26Å; A438-F442 VanDerWaalsContact O-CD2 3.24Å; A438-F442 WeakPolarHBondContact O-CD2 3.38Å; A438-F442 VanDerWaalsContact O-CG 3.27Å; A438-F442 WeakPolarHBondContact O-CG 3.19Å; A438-F442 PolarHBondContact O-N 3.4Å; F442-K444 VanDerWaalsContact C-N 3.29Å; F442-K444 PolarHBondContact O-N 3.2Å; F442-L445 PolarHBondContact O-N 3.02Å; F442-L445 VanDerWaalsContact O-N 3.14Å; F442-T446 WeakPolarHBondContact O-CB 3.47Å; F442-T446 VanDerWaalsContact O-CG2 3.29Å; F442-T446 WeakPolarHBondContact O-CG2 3.37Å; F442-T446 PolarHBondContact O-N 2.84Å; F442-T446 PolarHBondContact O-OG1 3.05Å; F442-E485 HydrophobicContact CD2-CB 4.36Å; F442-C486 HydrophobicContact CB-CB 4.49Å; F442-C486 HydrophobicContact CD2-CB 3.86Å; F442-C486 HydrophobicContact CE2-CB 4.27Å; F442-C486 HydrophobicContact CG-CB 4.21Å
443K95.4Very high94.3Very high143 Ų14354.8 Ų54.862%0.62228%0.281SS*.Hα-helixtrans-55.4-42.1177-172.2175.9-178.4177.70113R439 V441 T446 A447 P487R439-K443 VanDerWaalsContact O-CB 3.24Å; R439-K443 WeakPolarHBondContact O-CB 3.33Å; R439-K443 PolarHBondContact O-N 2.68Å; V441-K443 PolarHBondContact O-N 3.09Å; K443-T446 PolarHBondContact O-OG1 3.29Å; K443-A447 WeakPolarHBondContact O-CB 3.42Å; K443-A447 PolarHBondContact O-N 3.29Å; K443-P487 HydrophobicContact CB-CG 4.34Å
444K95.9Very high94.5Very high141 Ų14156.2 Ų56.261%0.61329%0.288SS*.Hα-helixtrans-67-44.4177.3-73.8172.6-178175.20112.2I390 N440 V441 F442I390-K444 HydrophobicContact CD1-CB 4.22Å; N440-K444 WeakPolarHBondContact O-CG 3.22Å; N440-K444 PolarHBondContact O-N 3.43Å; V441-K444 PolarHBondContact O-N 2.94Å; F442-K444 VanDerWaalsContact C-N 3.29Å; F442-K444 PolarHBondContact O-N 3.2Å
445L95.9Very high94.8Very high0 Ų054 Ų540%028%0.276CS..Hα-helixtrans-68.9-45.3-179.2-68178.2000111.9I381 A386 W389 I390 F409 V441 F442 A447 V448 I451 I455I381-L445 HydrophobicContact CD1-CD1 4.4Å; A386-L445 HydrophobicContact CB-CD2 4.36Å; W389-L445 HydrophobicContact CE3-CD1 4.18Å; W389-L445 HydrophobicContact CE3-CD2 3.93Å; W389-L445 HydrophobicContact CZ3-CD1 4.09Å; I390-L445 HydrophobicContact CD1-CD2 4.23Å; I390-L445 HydrophobicContact CG1-CD2 4.04Å; F409-L445 HydrophobicContact CE2-CD1 4.18Å; F409-L445 HydrophobicContact CZ-CD1 3.9Å; V441-L445 HydrophobicContact CG1-CD1 3.85Å; V441-L445 HydrophobicContact CG1-CG 4.32Å; V441-L445 WeakPolarHBondContact O-CG 3.34Å; V441-L445 PolarHBondContact O-N 3.37Å; F442-L445 PolarHBondContact O-N 3.02Å; F442-L445 VanDerWaalsContact O-N 3.14Å; L445-A447 PolarHBondContact O-N 2.71Å; L445-V448 WeakPolarHBondContact O-CB 3.46Å; L445-V448 PolarHBondContact O-N 3.05Å; L445-V448 VanDerWaalsContact O-N 3.08Å; L445-I451 HydrophobicContact CB-CG2 4.12Å; L445-I451 HydrophobicContact CD2-CD1 4.28Å; L445-I455 HydrophobicContact CB-CD1 4.14Å
446T94.6Very high94.9Very high22 Ų2254.1 Ų54.114%0.13528%0.278CS..Hα-helixtrans-72-14.6-177.961.10000113.2F442 K443 S452 I455 L488F442-T446 WeakPolarHBondContact O-CB 3.47Å; F442-T446 VanDerWaalsContact O-CG2 3.29Å; F442-T446 WeakPolarHBondContact O-CG2 3.37Å; F442-T446 PolarHBondContact O-N 2.84Å; F442-T446 PolarHBondContact O-OG1 3.05Å; K443-T446 PolarHBondContact O-OG1 3.29Å; T446-S452 WeakPolarHBondContact O-CB 3.49Å; T446-I455 HydrophobicContact CG2-CD1 4.47Å; T446-L488 HydrophobicContact CG2-CD1 3.78Å; T446-L488 HydrophobicContact CG2-CD2 4.21Å; T446-L488 HydrophobicContact CG2-CG 3.69Å
447A95.1Very high95Very high81 Ų8154.5 Ų54.567%0.66928%0.28SS*.THydrogen-bonded Turntrans-71.8-19.3170.800000112.8K443 L445K443-A447 WeakPolarHBondContact O-CB 3.42Å; K443-A447 PolarHBondContact O-N 3.29Å; L445-A447 PolarHBondContact O-N 2.71Å
448V94.3Very high95.1Very high30 Ų3050.8 Ų50.818%0.18226%0.262CS..SBendtrans-84.6122.3179.1-177.60000110.2I390 L445 W450 I451 S452I390-V448 HydrophobicContact CB-CG2 4.49Å; I390-V448 HydrophobicContact CG1-CG2 4.08Å; I390-V448 HydrophobicContact CG2-CG2 4.15Å; L445-V448 WeakPolarHBondContact O-CB 3.46Å; L445-V448 PolarHBondContact O-N 3.05Å; L445-V448 VanDerWaalsContact O-N 3.08Å; V448-W450 VanDerWaalsContact C-N 3.3Å; V448-W450 HydrophobicContact CG1-CG 4.33Å; V448-W450 PolarHBondContact O-N 2.9Å; V448-W450 VanDerWaalsContact O-N 3.14Å; V448-I451 HydrophobicContact CB-CB 4.07Å; V448-I451 HydrophobicContact CB-CD1 3.85Å; V448-I451 HydrophobicContact CB-CG1 3.97Å; V448-I451 HydrophobicContact CG1-CB 4.36Å; V448-I451 HydrophobicContact CG1-CD1 3.91Å; V448-I451 HydrophobicContact CG1-CG1 3.85Å; V448-I451 HydrophobicContact CG2-CD1 4.14Å; V448-I451 PolarHBondContact O-N 3.32Å; V448-I451 VanDerWaalsContact O-N 3.12Å; V448-S452 PolarHBondContact O-N 3.2Å; V448-S452 VanDerWaalsContact O-N 3.1Å
449K92.4Very high95.2Very high200 Ų20051 Ų5187%0.8726%0.263SS*.THydrogen-bonded Turntrans-52.9-37.8-171.8-73.1-173.3177.7-1790115P453K449-P453 WeakPolarHBondContact O-CD 3.31Å
450W93.3Very high95.2Very high66 Ų6650.7 Ų50.725%0.2526%0.264CS..THydrogen-bonded Turntrans-89-25.4-177.874.3-98.8000113.4A392 L398 A401 K402 I405 V448 L454A392-W450 HydrophobicContact CB-CZ2 4.49Å; L398-W450 HydrophobicContact CD1-CD2 3.82Å; L398-W450 VanDerWaalsContact CD1-CE2 3.49Å; L398-W450 HydrophobicContact CD1-CE3 4.01Å; L398-W450 HydrophobicContact CD1-CH2 3.66Å; L398-W450 HydrophobicContact CD1-CZ2 3.42Å; L398-W450 VanDerWaalsContact CD1-CZ2 3.42Å; L398-W450 HydrophobicContact CD1-CZ3 3.95Å; A401-W450 HydrophobicContact CB-CH2 3.93Å; K402-W450 HydrophobicContact CG-CE3 4.26Å; K402-W450 HydrophobicContact CG-CH2 4.35Å; K402-W450 HydrophobicContact CG-CZ3 3.61Å; I405-W450 HydrophobicContact CD1-CH2 3.68Å; I405-W450 HydrophobicContact CD1-CZ3 3.92Å; V448-W450 VanDerWaalsContact C-N 3.3Å; V448-W450 HydrophobicContact CG1-CG 4.33Å; V448-W450 PolarHBondContact O-N 2.9Å; V448-W450 VanDerWaalsContact O-N 3.14Å; W450-L454 HydrophobicContact CE3-CD2 4.48Å; W450-L454 HydrophobicContact CZ3-CD2 3.96Å
451I95.3Very high95Very high0 Ų051.7 Ų51.70%027%0.269CS..Hα-helixtrans-76.9-42.2-179.7-63.1-178.9000110.4W389 I405 L445 V448 L454 I455W389-I451 HydrophobicContact CB-CD1 4.23Å; I405-I451 HydrophobicContact CD1-CD1 4.32Å; I405-I451 HydrophobicContact CD1-CG1 4.16Å; I405-I451 HydrophobicContact CD1-CG2 4.15Å; L445-I451 HydrophobicContact CB-CG2 4.12Å; L445-I451 HydrophobicContact CD2-CD1 4.28Å; V448-I451 HydrophobicContact CB-CB 4.07Å; V448-I451 HydrophobicContact CB-CD1 3.85Å; V448-I451 HydrophobicContact CB-CG1 3.97Å; V448-I451 HydrophobicContact CG1-CB 4.36Å; V448-I451 HydrophobicContact CG1-CD1 3.91Å; V448-I451 HydrophobicContact CG1-CG1 3.85Å; V448-I451 HydrophobicContact CG2-CD1 4.14Å; V448-I451 PolarHBondContact O-N 3.32Å; V448-I451 VanDerWaalsContact O-N 3.12Å; I451-L454 WeakPolarHBondContact O-CB 3.14Å; I451-L454 PolarHBondContact O-N 3.1Å; I451-L454 VanDerWaalsContact O-N 3.14Å; I451-I455 HydrophobicContact CG2-CD1 3.49Å; I451-I455 VanDerWaalsContact CG2-CD1 3.49Å; I451-I455 HydrophobicContact CG2-CG1 3.93Å; I451-I455 PolarHBondContact O-N 3.47Å
452S95.1Very high94.9Very high27 Ų2754 Ų5419%0.18928%0.281CS..Hα-helixtrans-52-52.7-179.1-176.70000115T446 V448 L454 T456 L488T446-S452 WeakPolarHBondContact O-CB 3.49Å; V448-S452 PolarHBondContact O-N 3.2Å; V448-S452 VanDerWaalsContact O-N 3.1Å; S452-L454 VanDerWaalsContact C-N 3.33Å; S452-L454 PolarHBondContact O-N 3.44Å; S452-T456 PolarHBondContact O-N 3.08Å; S452-T456 PolarHBondContact O-OG1 3.45Å; S452-L488 WeakPolarHBondContact OG-CD2 3.46Å
453P94.8Very high94.8Very high70 Ų7053.7 Ų53.746%0.45528%0.28SS..Hα-helixtrans-66.5-35.5176.626.3-34.5000112.1K449 T456 T457K449-P453 WeakPolarHBondContact O-CD 3.31Å; P453-T456 WeakPolarHBondContact O-CB 3.24Å; P453-T456 PolarHBondContact O-N 3.28Å; P453-T457 PolarHBondContact O-N 3.3Å; P453-T457 PolarHBondContact O-OG1 3.03Å
454L96Very high94.7Very high32 Ų3247.4 Ų47.417%0.16825%0.253CS..Hα-helixtrans-62.4-48.3178.2-174.665.2000111.6K402 I405 N406 W450 I451 S452 T456 T457 C458K402-L454 HydrophobicContact CB-CD2 4.18Å; K402-L454 HydrophobicContact CG-CD2 3.96Å; I405-L454 HydrophobicContact CB-CD2 4.01Å; I405-L454 HydrophobicContact CD1-CD2 4.38Å; I405-L454 HydrophobicContact CG2-CD2 3.73Å; I405-L454 HydrophobicContact CG2-CG 4.08Å; N406-L454 WeakPolarHBondContact OD1-CD1 3.49Å; W450-L454 HydrophobicContact CE3-CD2 4.48Å; W450-L454 HydrophobicContact CZ3-CD2 3.96Å; I451-L454 WeakPolarHBondContact O-CB 3.14Å; I451-L454 PolarHBondContact O-N 3.1Å; I451-L454 VanDerWaalsContact O-N 3.14Å; S452-L454 VanDerWaalsContact C-N 3.33Å; S452-L454 PolarHBondContact O-N 3.44Å; L454-T456 VanDerWaalsContact C-N 3.29Å; L454-T456 PolarHBondContact O-N 2.94Å; L454-T457 PolarHBondContact O-N 2.88Å; L454-C458 PolarHBondContact O-N 3.43Å; L454-C458 PolarHBondContact O-SG 3.49Å
455I96.5Very high94.4Very high0 Ų043.8 Ų43.80%026%0.255CS..Hα-helixtrans-60.2-42.8174.8-67.6175.3000109.9I405 F409 L445 T446 I451 T457 C458 L459 L488I405-I455 HydrophobicContact CG2-CG1 3.94Å; F409-I455 HydrophobicContact CD1-CB 4.39Å; F409-I455 HydrophobicContact CD1-CD1 4.32Å; F409-I455 HydrophobicContact CD1-CG1 4.1Å; F409-I455 HydrophobicContact CD1-CG2 3.55Å; F409-I455 HydrophobicContact CD2-CD1 4.36Å; F409-I455 HydrophobicContact CD2-CG1 4.04Å; F409-I455 HydrophobicContact CE1-CD1 3.79Å; F409-I455 HydrophobicContact CE1-CG1 4.08Å; F409-I455 HydrophobicContact CE1-CG2 3.76Å; F409-I455 HydrophobicContact CE2-CD1 3.82Å; F409-I455 HydrophobicContact CE2-CG1 4.02Å; F409-I455 HydrophobicContact CG-CG1 4.06Å; F409-I455 HydrophobicContact CG-CG2 4.18Å; F409-I455 HydrophobicContact CZ-CD1 3.51Å; F409-I455 HydrophobicContact CZ-CG1 4.04Å; L445-I455 HydrophobicContact CB-CD1 4.14Å; T446-I455 HydrophobicContact CG2-CD1 4.47Å; I451-I455 HydrophobicContact CG2-CD1 3.49Å; I451-I455 VanDerWaalsContact CG2-CD1 3.49Å; I451-I455 HydrophobicContact CG2-CG1 3.93Å; I451-I455 PolarHBondContact O-N 3.47Å; I455-T457 VanDerWaalsContact C-N 3.33Å; I455-T457 PolarHBondContact O-N 3.43Å; I455-C458 WeakPolarHBondContact O-CB 3.35Å; I455-C458 PolarHBondContact O-N 3.28Å; I455-L459 HydrophobicContact CG2-CD1 3.83Å; I455-L459 HydrophobicContact CG2-CG 4.05Å; I455-L459 VanDerWaalsContact O-CG 3.28Å; I455-L459 WeakPolarHBondContact O-CG 3.49Å; I455-L459 PolarHBondContact O-N 3.36Å; I455-L488 HydrophobicContact CB-CD1 3.9Å; I455-L488 HydrophobicContact CG2-CD1 3.53Å
456T95.5Very high94.1Very high17 Ų1747.9 Ų47.910%0.10428%0.277CS..Hα-helixtrans-56-48.1178.2-56.40000111.1S452 P453 L454 L459 E460 L498S452-T456 PolarHBondContact O-N 3.08Å; S452-T456 PolarHBondContact O-OG1 3.45Å; P453-T456 WeakPolarHBondContact O-CB 3.24Å; P453-T456 PolarHBondContact O-N 3.28Å; L454-T456 VanDerWaalsContact C-N 3.29Å; L454-T456 PolarHBondContact O-N 2.94Å; T456-L459 PolarHBondContact O-N 2.88Å; T456-E460 VanDerWaalsContact O-CB 3.32Å; T456-E460 WeakPolarHBondContact O-CB 3.32Å; T456-E460 PolarHBondContact O-N 3.14Å; T456-L498 HydrophobicContact CG2-CD1 4.42Å
457T95.6Very high94Very high68 Ų6847.5 Ų47.542%0.41727%0.274SS..Hα-helixtrans-61.4-44.1175.8-57.40000112.1P453 L454 I455 L459 E460 D461P453-T457 PolarHBondContact O-N 3.3Å; P453-T457 PolarHBondContact O-OG1 3.03Å; L454-T457 PolarHBondContact O-N 2.88Å; I455-T457 VanDerWaalsContact C-N 3.33Å; I455-T457 PolarHBondContact O-N 3.43Å; T457-L459 VanDerWaalsContact C-N 3.33Å; T457-L459 PolarHBondContact O-N 3.25Å; T457-E460 PolarHBondContact O-N 3.15Å; T457-D461 VanDerWaalsContact CG2-OD2 3.22Å; T457-D461 WeakPolarHBondContact CG2-OD2 3.42Å; T457-D461 WeakPolarHBondContact O-CB 3.48Å; T457-D461 PolarHBondContact O-N 2.78Å
458C96.1Very high93.9Very high1 Ų144 Ų441%0.00725%0.245CC..Hα-helixtrans-59.5-43.9177.9-62.20000112.2N406 F409 L454 I455 N462 L463N406-C458 PolarHBondContact OD1-SG 2.98Å; F409-C458 HydrophobicContact CB-CB 3.7Å; L454-C458 PolarHBondContact O-N 3.43Å; L454-C458 PolarHBondContact O-SG 3.49Å; I455-C458 WeakPolarHBondContact O-CB 3.35Å; I455-C458 PolarHBondContact O-N 3.28Å; C458-N462 WeakPolarHBondContact O-CB 3.43Å; C458-N462 PolarHBondContact O-N 2.92Å; C458-L463 PolarHBondContact O-N 2.79Å
459L96.1Very high93.7Very high3 Ų343.3 Ų43.32%0.01624%0.241CC..Iπ-helixtrans-67.8-44.6179-64178.5000111.1F409 I455 T456 T457 L463 L464 L483 L498F409-L459 HydrophobicContact CD1-CD2 4.48Å; I455-L459 HydrophobicContact CG2-CD1 3.83Å; I455-L459 HydrophobicContact CG2-CG 4.05Å; I455-L459 VanDerWaalsContact O-CG 3.28Å; I455-L459 WeakPolarHBondContact O-CG 3.49Å; I455-L459 PolarHBondContact O-N 3.36Å; T456-L459 PolarHBondContact O-N 2.88Å; T457-L459 VanDerWaalsContact C-N 3.33Å; T457-L459 PolarHBondContact O-N 3.25Å; L459-L463 HydrophobicContact CD2-CB 4.31Å; L459-L463 HydrophobicContact CD2-CD2 3.38Å; L459-L463 HydrophobicContact CD2-CG 4.48Å; L459-L464 VanDerWaalsContact O-CB 3.3Å; L459-L464 WeakPolarHBondContact O-CB 3.44Å; L459-L464 WeakPolarHBondContact O-CD1 3.48Å; L459-L464 WeakPolarHBondContact O-CG 3.36Å; L459-L464 PolarHBondContact O-N 2.82Å; L459-L483 HydrophobicContact CD2-CD2 4Å; L459-L498 HydrophobicContact CB-CD2 3.82Å; L459-L498 HydrophobicContact CD1-CD1 4.45Å
460E94.1Very high93.4Very high55 Ų5539.7 Ų39.726%0.25723%0.227SC..Iπ-helixtrans-69.7-47-175.1-178.6172.2-179.700113.6T456 T457 T497 L498 K501T456-E460 VanDerWaalsContact O-CB 3.32Å; T456-E460 WeakPolarHBondContact O-CB 3.32Å; T456-E460 PolarHBondContact O-N 3.14Å; T457-E460 PolarHBondContact O-N 3.15Å; E460-T497 WeakPolarHBondContact OE1-CB 3.49Å; E460-T497 WeakPolarHBondContact OE1-CG2 3.41Å; E460-T497 WeakPolarHBondContact OE2-CB 3.35Å; E460-L498 HydrophobicContact CB-CD2 3.98Å; E460-K501 PolarHBondContact O-NZ 3.37Å
461D92.3Very high93.2Very high102 Ų10237.2 Ų37.255%0.54522%0.22SC..Iπ-helixtrans-91.3-29.1-167.9-66-17.2000112.4T457T457-D461 VanDerWaalsContact CG2-OD2 3.22Å; T457-D461 WeakPolarHBondContact CG2-OD2 3.42Å; T457-D461 WeakPolarHBondContact O-CB 3.48Å; T457-D461 PolarHBondContact O-N 2.78Å
462N91.9Very high92.7Very high69 Ų6944.2 Ų44.237%0.36925%0.252SS..Iπ-helixtrans-115.7-66.5-174.4-49.9-42.4000111.3S410 C458 L464 G465 D466S410-N462 PolarHBondContact OG-ND2 2.9Å; C458-N462 WeakPolarHBondContact O-CB 3.43Å; C458-N462 PolarHBondContact O-N 2.92Å; N462-L464 PolarHBondContact O-N 3.49Å; N462-G465 PolarHBondContact O-N 3.46Å; N462-D466 PolarHBondContact O-N 3.18Å
463L94.8Very high92.4Very high1 Ų143.7 Ų43.71%0.00525%0.247CC..Iπ-helixtrans-64.4-47.2-165.3-171.274.6000113.9S411 S412 L415 C458 L459 G465 D466 L467 L483S411-L463 VanDerWaalsContact C-CD1 3.47Å; S412-L463 WeakPolarHBondContact OG-CD1 3.27Å; L415-L463 HydrophobicContact CD1-CD1 4.42Å; L415-L463 HydrophobicContact CD1-CD2 3.61Å; C458-L463 PolarHBondContact O-N 2.79Å; L459-L463 HydrophobicContact CD2-CB 4.31Å; L459-L463 HydrophobicContact CD2-CD2 3.38Å; L459-L463 HydrophobicContact CD2-CG 4.48Å; L463-G465 VanDerWaalsContact C-N 3.26Å; L463-G465 PolarHBondContact O-N 2.94Å; L463-D466 CarbonylContact O-C 3.52Å; L463-D466 PolarHBondContact O-N 3.34Å; L463-L467 PolarHBondContact O-N 3.44Å; L463-L483 HydrophobicContact CD2-CD2 3.7Å
464L93.6Very high92Very high11 Ų1145 Ų456%0.05825%0.247CC..THydrogen-bonded Turntrans-69.3-24.1-174.6-72.1172000113.1L459 N462 L467 L483 L498 K501 F502L459-L464 VanDerWaalsContact O-CB 3.3Å; L459-L464 WeakPolarHBondContact O-CB 3.44Å; L459-L464 WeakPolarHBondContact O-CD1 3.48Å; L459-L464 WeakPolarHBondContact O-CG 3.36Å; L459-L464 PolarHBondContact O-N 2.82Å; N462-L464 PolarHBondContact O-N 3.49Å; L464-L467 HydrophobicContact CD2-CD1 3.78Å; L464-L483 HydrophobicContact CD2-CD1 4.01Å; L464-L498 HydrophobicContact CD1-CB 4.18Å; L464-L498 HydrophobicContact CD1-CD2 3.58Å; L464-L498 HydrophobicContact CD1-CG 4.49Å; L464-K501 HydrophobicContact CB-CB 4.27Å; L464-K501 HydrophobicContact CB-CD 4.36Å; L464-K501 HydrophobicContact CD1-CB 4.05Å; L464-K501 HydrophobicContact CD1-CD 4.49Å; L464-F502 HydrophobicContact CD2-CB 4.09Å
465G89.1Confident91.6Very high64 Ų6443.8 Ų43.866%0.6624%0.241SC*.THydrogen-bonded Turntrans-72.5-36.3172.700000112.5N462 L463N462-G465 PolarHBondContact O-N 3.46Å; L463-G465 VanDerWaalsContact C-N 3.26Å; L463-G465 PolarHBondContact O-N 2.94Å
466D89.4Confident91.4Very high87 Ų8743.8 Ų43.847%0.46524%0.241SC..SBendtrans-102.722.7-172.6-65.1-16.3000113N462 L463N462-D466 PolarHBondContact O-N 3.18Å; L463-D466 CarbonylContact O-C 3.52Å; L463-D466 PolarHBondContact O-N 3.34Å
467L93.8Very high91.3Very high13 Ų1343.2 Ų43.27%0.06824%0.237CC..  trans-64.6136.9176.3-81.3174.6000111L463 L464 C469 I479 F480 L483 A505L463-L467 PolarHBondContact O-N 3.44Å; L464-L467 HydrophobicContact CD2-CD1 3.78Å; L467-C469 PolarHBondContact O-N 2.91Å; L467-C469 PolarHBondContact O-SG 3.09Å; L467-I479 HydrophobicContact CD2-CG1 4.12Å; L467-I479 HydrophobicContact CD2-CG2 3.77Å; L467-F480 HydrophobicContact CB-CE1 4.44Å; L467-F480 HydrophobicContact CB-CZ 3.87Å; L467-F480 HydrophobicContact CD1-CE1 3.83Å; L467-F480 HydrophobicContact CD1-CZ 4.1Å; L467-F480 HydrophobicContact CD2-CE1 4.49Å; L467-F480 HydrophobicContact CD2-CE2 4.48Å; L467-F480 HydrophobicContact CD2-CZ 4.22Å; L467-F480 HydrophobicContact CG-CZ 4.3Å; L467-L483 HydrophobicContact CD1-CD1 4.31Å; L467-L483 HydrophobicContact CD2-CD1 4.02Å; L467-A505 HydrophobicContact CB-CB 4.39Å; L467-A505 HydrophobicContact CD1-CB 3.63Å
468P91.9Very high91.2Very high9 Ų940.1 Ų40.16%0.05822%0.218CC..  trans-77.857.4-173.832.5-36.4000112.8H470 S471 A476 L477 I479 F480P468-H470 PolarHBondContact O-N 2.97Å; P468-H470 VanDerWaalsContact O-N 3.13Å; P468-S471 WeakPolarHBondContact O-CB 3.41Å; P468-S471 PolarHBondContact O-N 3.38Å; P468-S471 VanDerWaalsContact O-N 3.14Å; P468-A476 HydrophobicContact CB-CB 4.04Å; P468-A476 HydrophobicContact CG-CB 4.02Å; P468-A476 WeakPolarHBondContact CG-O 3.23Å; P468-L477 WeakPolarHBondContact O-CD2 3.42Å; P468-I479 HydrophobicContact CG-CG2 4.2Å; P468-F480 HydrophobicContact CG-CE2 4.35Å
469C89.2Confident91.2Very high14 Ų1440.1 Ų40.110%0.09522%0.217CC..THydrogen-bonded Turntrans-62.2-25.4-171.5-54.60000113.6L467 A505 M509L467-C469 PolarHBondContact O-N 2.91Å; L467-C469 PolarHBondContact O-SG 3.09Å; C469-A505 PolarHBondContact SG-O 3.49Å; C469-M509 HydrophobicContact CB-CG 4.35Å; C469-M509 WeakPolarHBondContact O-CA 3.45Å; C469-M509 WeakPolarHBondContact O-CG 3.43Å
470H86.5Confident91.2Very high125 Ų12540 Ų4058%0.57922%0.217SC*.THydrogen-bonded Turntrans-109.910.3-177.5-54.6-63.4000112.9P468 K508P468-H470 PolarHBondContact O-N 2.97Å; P468-H470 VanDerWaalsContact O-N 3.13Å; H470-K508 PolarHBondContact CE1-O 2.68Å; H470-K508 PolarHBondContact ND1-O 2.9Å
471S88.8Confident91.3Very high14 Ų1437.6 Ų37.610%0.09821%0.206CC..  trans-67.7135.4180-175.40000111.2P468 H473 A476 S513P468-S471 WeakPolarHBondContact O-CB 3.41Å; P468-S471 PolarHBondContact O-N 3.38Å; P468-S471 VanDerWaalsContact O-N 3.14Å; S471-H473 VanDerWaalsContact C-N 3.26Å; S471-H473 PolarHBondContact OG-N 3.15Å; S471-H473 VanDerWaalsContact OG-N 3.15Å; S471-A476 WeakPolarHBondContact OG-CB 3.18Å; S471-S513 PolarHBondContact O-OG 2.81Å
472Q85.1Confident91.4Very high147 Ų14732.8 Ų32.869%0.68718%0.18SC*.  trans-84.3-5.8172.9-65.4177.7-15.600111.8
473H88.5Confident91.7Very high15 Ų1529.8 Ų29.87%0.06916%0.164CC..  trans-104.8124.3-172.2-54.5-50.6000110.8S175 I179 Y201 P226 S471 D475 A476S175-H473 PolarHBondContact O-CD2 3.31Å; S175-H473 VanDerWaalsContact O-CD2 3.25Å; I179-H473 HydrophobicContact CD1-CB 3.77Å; I179-H473 HydrophobicContact CG1-CB 4.33Å; Y201-H473 AromaticContact CD1-CE1 3.82Å; Y201-H473 AromaticContact CD1-ND1 3.89Å; Y201-H473 HydrophobicContact CE1-CB 3.93Å; Y201-H473 AromaticContact CE1-CE1 3.79Å; Y201-H473 AromaticContact CE1-CG 3.5Å; Y201-H473 VanDerWaalsContact CE1-CG 3.5Å; Y201-H473 AromaticContact CE1-ND1 3.37Å; Y201-H473 WeakPolarHBondContact CE1-ND1 3.47Å; P226-H473 PolarHBondContact O-NE2 3.48Å; S471-H473 VanDerWaalsContact C-N 3.26Å; S471-H473 PolarHBondContact OG-N 3.15Å; S471-H473 VanDerWaalsContact OG-N 3.15Å; H473-D475 VanDerWaalsContact C-N 3.29Å; H473-D475 PolarHBondContact O-N 3.14Å; H473-A476 PolarHBondContact O-N 3.2Å
474Q87.8Confident91.7Very high97 Ų9729.7 Ų29.745%0.45316%0.164SC..Hα-helixtrans-57.6-41.6-174.8-66.8178.7-13.500112.4A476 L477 F516Q474-A476 PolarHBondContact O-N 3.12Å; Q474-L477 PolarHBondContact O-N 3.18Å; Q474-F516 HydrophobicContact CB-CD2 4.43Å; Q474-F516 HydrophobicContact CB-CE1 4.11Å; Q474-F516 HydrophobicContact CB-CE2 3.85Å; Q474-F516 HydrophobicContact CB-CZ 3.67Å; Q474-F516 HydrophobicContact CG-CD2 3.77Å; Q474-F516 HydrophobicContact CG-CE1 4.41Å; Q474-F516 HydrophobicContact CG-CE2 3.6Å; Q474-F516 HydrophobicContact CG-CG 4.26Å; Q474-F516 HydrophobicContact CG-CZ 3.95Å
475D86.7Confident91.8Very high8 Ų829.4 Ų29.44%0.04316%0.162CC..Hα-helixtrans-54.6-37.7179.9-63.2-24.4000112.6I179 S195 T197 T199 Y201 H473 L477I179-D475 HydrophobicContact CG2-CB 4.08Å; S195-D475 WeakPolarHBondContact CB-OD2 3.46Å; S195-D475 PolarHBondContact OG-OD2 2.86Å; T197-D475 PolarHBondContact OG1-OD1 3.11Å; T197-D475 PolarHBondContact OG1-OD2 3.16Å; T199-D475 PolarHBondContact OG1-OD2 3.35Å; Y201-D475 PolarHBondContact OH-OD2 3.25Å; H473-D475 VanDerWaalsContact C-N 3.29Å; H473-D475 PolarHBondContact O-N 3.14Å; D475-L477 VanDerWaalsContact C-N 3.31Å; D475-L477 PolarHBondContact O-N 2.91Å
476A92.2Very high92.1Very high0 Ų026.5 Ų26.50%013%0.131CC..Hα-helixtrans-70.6-28.3-179.400000112.6E177 I179 P468 S471 H473 Q474 L478 I479E177-A476 WeakPolarHBondContact O-CB 3.32Å; I179-A476 HydrophobicContact CG1-CB 3.88Å; P468-A476 HydrophobicContact CB-CB 4.04Å; P468-A476 HydrophobicContact CG-CB 4.02Å; P468-A476 WeakPolarHBondContact CG-O 3.23Å; S471-A476 WeakPolarHBondContact OG-CB 3.18Å; H473-A476 PolarHBondContact O-N 3.2Å; Q474-A476 PolarHBondContact O-N 3.12Å; A476-L478 VanDerWaalsContact C-N 3.33Å; A476-I479 WeakPolarHBondContact O-CG2 3.39Å
477L94.3Very high92.4Very high4 Ų424.6 Ų24.62%0.02112%0.124CC..Hα-helixtrans-83.2-10-175.4-59.4176.9000112.9P468 Q474 D475 I479 F480 M509 F516P468-L477 WeakPolarHBondContact O-CD2 3.42Å; Q474-L477 PolarHBondContact O-N 3.18Å; D475-L477 VanDerWaalsContact C-N 3.31Å; D475-L477 PolarHBondContact O-N 2.91Å; L477-I479 PolarHBondContact O-N 3.41Å; L477-F480 HydrophobicContact CD2-CD2 4.39Å; L477-F480 HydrophobicContact CD2-CE2 4.12Å; L477-F480 WeakPolarHBondContact O-CB 3.23Å; L477-F480 WeakPolarHBondContact O-CD2 3.42Å; L477-F480 PolarHBondContact O-N 3.32Å; L477-F480 VanDerWaalsContact O-N 3.13Å; L477-M509 HydrophobicContact CD2-CE 4.23Å; L477-F516 HydrophobicContact CB-CD1 3.99Å; L477-F516 HydrophobicContact CB-CE1 4.03Å; L477-F516 HydrophobicContact CD1-CB 4.47Å; L477-F516 HydrophobicContact CD1-CD1 3.76Å; L477-F516 HydrophobicContact CD1-CG 4.46Å
478L93.7Very high92.4Very high4 Ų424.2 Ų24.22%0.02112%0.122CC..THydrogen-bonded Turntrans-62.7-24.8-179.7-64176.1000113T416 L420 D432 V433 A476 F480 L481 L482 F516T416-L478 HydrophobicContact CG2-CB 3.81Å; T416-L478 HydrophobicContact CG2-CD1 4.18Å; L420-L478 HydrophobicContact CD2-CD1 4.28Å; D432-L478 HydrophobicContact CB-CD1 4.31Å; V433-L478 HydrophobicContact CG1-CB 4.04Å; V433-L478 HydrophobicContact CG1-CD1 4.16Å; A476-L478 VanDerWaalsContact C-N 3.33Å; L478-F480 PolarHBondContact O-N 2.97Å; L478-L481 HydrophobicContact CD2-CD1 4.29Å; L478-L481 WeakPolarHBondContact O-CB 3.48Å; L478-L481 PolarHBondContact O-N 3.25Å; L478-L482 PolarHBondContact O-N 3.23Å; L478-F516 HydrophobicContact CD2-CZ 4.45Å
479I95.8Very high92.5Very high0 Ų023.9 Ų23.90%012%0.12CC..Hα-helixtrans-57.3-30.8174.9-170.158.5000112.8L415 L467 P468 A476 L477 L481 L482 L483L415-I479 HydrophobicContact CB-CD1 3.76Å; L415-I479 HydrophobicContact CD1-CD1 4.04Å; L467-I479 HydrophobicContact CD2-CG1 4.12Å; L467-I479 HydrophobicContact CD2-CG2 3.77Å; P468-I479 HydrophobicContact CG-CG2 4.2Å; A476-I479 WeakPolarHBondContact O-CG2 3.39Å; L477-I479 PolarHBondContact O-N 3.41Å; I479-L481 PolarHBondContact O-N 3.43Å; I479-L482 HydrophobicContact CD1-CB 4.44Å; I479-L482 PolarHBondContact O-N 3.3Å; I479-L482 VanDerWaalsContact O-N 3.15Å; I479-L483 HydrophobicContact CD1-CG 4.35Å; I479-L483 HydrophobicContact CG1-CD1 4.35Å; I479-L483 HydrophobicContact CG1-CG 4.27Å; I479-L483 PolarHBondContact O-N 3.42Å; I479-L483 VanDerWaalsContact O-N 3.1Å
480F96.1Very high92.5Very high0 Ų025.9 Ų25.90%013%0.128CC..Hα-helixtrans-68.5-19.5179.1-70.2-88.9000113.2L467 P468 L477 L478 P484 F502 A505 I506 M509 L517L467-F480 HydrophobicContact CB-CE1 4.44Å; L467-F480 HydrophobicContact CB-CZ 3.87Å; L467-F480 HydrophobicContact CD1-CE1 3.83Å; L467-F480 HydrophobicContact CD1-CZ 4.1Å; L467-F480 HydrophobicContact CD2-CE1 4.49Å; L467-F480 HydrophobicContact CD2-CE2 4.48Å; L467-F480 HydrophobicContact CD2-CZ 4.22Å; L467-F480 HydrophobicContact CG-CZ 4.3Å; P468-F480 HydrophobicContact CG-CE2 4.35Å; L477-F480 HydrophobicContact CD2-CD2 4.39Å; L477-F480 HydrophobicContact CD2-CE2 4.12Å; L477-F480 WeakPolarHBondContact O-CB 3.23Å; L477-F480 WeakPolarHBondContact O-CD2 3.42Å; L477-F480 PolarHBondContact O-N 3.32Å; L477-F480 VanDerWaalsContact O-N 3.13Å; L478-F480 PolarHBondContact O-N 2.97Å; F480-P484 VanDerWaalsContact O-CD 3.28Å; F480-P484 WeakPolarHBondContact O-CD 3.1Å; F480-F502 HydrophobicContact CB-CE2 4.39Å; F480-F502 HydrophobicContact CD1-CD2 4.35Å; F480-F502 AromaticContact CD1-CE2 3.74Å; F480-F502 HydrophobicContact CD1-CE2 3.74Å; F480-F502 HydrophobicContact CD1-CZ 4.33Å; F480-F502 HydrophobicContact CG-CE2 4.49Å; F480-A505 HydrophobicContact CE1-CB 4.17Å; F480-I506 HydrophobicContact CD1-CD1 4.26Å; F480-I506 HydrophobicContact CD1-CG1 3.7Å; F480-I506 HydrophobicContact CE1-CG1 3.89Å; F480-M509 HydrophobicContact CD1-CE 3.6Å; F480-M509 HydrophobicContact CD2-CE 3.44Å; F480-M509 VanDerWaalsContact CD2-CE 3.44Å; F480-M509 HydrophobicContact CE1-CE 3.38Å; F480-M509 HydrophobicContact CE2-CE 3.21Å; F480-M509 HydrophobicContact CG-CE 3.63Å; F480-M509 HydrophobicContact CZ-CE 3.17Å; F480-L517 HydrophobicContact CB-CD1 3.87Å; F480-L517 HydrophobicContact CB-CD2 4.23Å
481L95.4Very high92.6Very high6 Ų622.8 Ų22.83%0.03112%0.115CC..Hα-helixtrans-86.2-30.9173.5-55.1178.1000111.9V431 V433 L435 L478 I479 L517 C520 L524V431-L481 HydrophobicContact CG1-CD1 3.94Å; V431-L481 HydrophobicContact CG2-CD1 4.17Å; V433-L481 HydrophobicContact CG2-CB 4.44Å; V433-L481 HydrophobicContact CG2-CD1 4.34Å; L435-L481 HydrophobicContact CD2-CB 4.03Å; L478-L481 HydrophobicContact CD2-CD1 4.29Å; L478-L481 WeakPolarHBondContact O-CB 3.48Å; L478-L481 PolarHBondContact O-N 3.25Å; I479-L481 PolarHBondContact O-N 3.43Å; L481-L517 HydrophobicContact CD2-CD1 3.76Å; L481-L517 HydrophobicContact CG-CD1 4.41Å; L481-C520 HydrophobicContact CD1-CB 3.87Å; L481-C520 HydrophobicContact CD2-CB 3.91Å; L481-C520 HydrophobicContact CG-CB 4.45Å; L481-L524 HydrophobicContact CD2-CD1 4.48Å
482L95.8Very high92.6Very high1 Ų126 Ų261%0.00513%0.131CC..Hα-helixtrans-78.4-37.4-177.6-71.2169.8000113F419 V433 L435 A438 L478 I479 E485F419-L482 HydrophobicContact CB-CD2 3.87Å; F419-L482 HydrophobicContact CD2-CD1 4.27Å; F419-L482 HydrophobicContact CD2-CD2 4Å; F419-L482 HydrophobicContact CG-CD2 4.19Å; V433-L482 HydrophobicContact CB-CD2 4.19Å; V433-L482 HydrophobicContact CB-CG 4.46Å; V433-L482 HydrophobicContact CG1-CD1 4.16Å; V433-L482 HydrophobicContact CG1-CG 4.41Å; V433-L482 HydrophobicContact CG2-CD2 4.45Å; L435-L482 HydrophobicContact CD2-CD2 3.92Å; L435-L482 HydrophobicContact CD2-CG 4.48Å; A438-L482 HydrophobicContact CB-CD2 3.58Å; L478-L482 PolarHBondContact O-N 3.23Å; I479-L482 HydrophobicContact CD1-CB 4.44Å; I479-L482 PolarHBondContact O-N 3.3Å; I479-L482 VanDerWaalsContact O-N 3.15Å; L482-E485 WeakPolarHBondContact O-CB 3.36Å; L482-E485 PolarHBondContact O-N 3Å; L482-E485 VanDerWaalsContact O-N 3.15Å
483L96.4Very high92.7Very high5 Ų529.4 Ų29.43%0.02614%0.138CC..G310 helixtrans-58.5-47.1-176.2-72.8175.5000113.7L459 L463 L464 L467 I479 E485 C486 M489 F502L459-L483 HydrophobicContact CD2-CD2 4Å; L463-L483 HydrophobicContact CD2-CD2 3.7Å; L464-L483 HydrophobicContact CD2-CD1 4.01Å; L467-L483 HydrophobicContact CD1-CD1 4.31Å; L467-L483 HydrophobicContact CD2-CD1 4.02Å; I479-L483 HydrophobicContact CD1-CG 4.35Å; I479-L483 HydrophobicContact CG1-CD1 4.35Å; I479-L483 HydrophobicContact CG1-CG 4.27Å; I479-L483 PolarHBondContact O-N 3.42Å; I479-L483 VanDerWaalsContact O-N 3.1Å; L483-E485 PolarHBondContact O-N 3.45Å; L483-E485 VanDerWaalsContact O-N 3.1Å; L483-C486 VanDerWaalsContact O-CB 3.28Å; L483-C486 WeakPolarHBondContact O-CB 3.48Å; L483-C486 PolarHBondContact O-N 3.28Å; L483-M489 WeakPolarHBondContact O-CG 3.44Å; L483-F502 HydrophobicContact CB-CD2 4.23Å; L483-F502 HydrophobicContact CB-CE2 4.03Å; L483-F502 HydrophobicContact CD1-CD2 3.78Å; L483-F502 HydrophobicContact CD1-CE2 4.03Å
484P96.2Very high92.8Very high0 Ų029.6 Ų29.60%014%0.139CC..G310 helixtrans-57.3-25.6177.6-26.836.7000114.5F480 C486 F502 T531 V532 M535F480-P484 VanDerWaalsContact O-CD 3.28Å; F480-P484 WeakPolarHBondContact O-CD 3.1Å; P484-C486 PolarHBondContact O-N 3.14Å; P484-F502 HydrophobicContact CG-CE1 4.34Å; P484-F502 HydrophobicContact CG-CZ 3.89Å; P484-T531 VanDerWaalsContact O-CG2 3.25Å; P484-T531 WeakPolarHBondContact O-CG2 3.34Å; P484-V532 HydrophobicContact CB-CG2 3.78Å; P484-V532 HydrophobicContact CG-CG2 3.96Å; P484-M535 HydrophobicContact CB-CE 4.47Å; P484-M535 HydrophobicContact CB-SD 4.06Å; P484-M535 HydrophobicContact CG-CE 4.35Å; P484-M535 HydrophobicContact CG-SD 4.34Å
485E95.7Very high93Very high5 Ų526 Ų262%0.02312%0.122CC..G310 helixtrans-72.9-12.3177.5-58.5-63.6172.400113.2L435 R439 F442 L482 L483 P487 S528L435-E485 HydrophobicContact CB-CG 4.13Å; L435-E485 HydrophobicContact CD2-CG 4.19Å; R439-E485 HydrophobicContact CB-CB 4.26Å; R439-E485 IonicContact CZ-OE1 2.71Å; R439-E485 IonicContact CZ-OE2 3.46Å; R439-E485 IonicContact NE-OE2 2.67Å; R439-E485 PolarHBondContact NE-OE2 3.04Å; R439-E485 IonicContact NH2-OE1 3.83Å; R439-E485 PolarHBondContact NH2-OE1 3.15Å; R439-E485 IonicContact NH2-OE2 2.76Å; R439-E485 PolarHBondContact NH2-OE2 3.19Å; F442-E485 HydrophobicContact CD2-CB 4.36Å; L482-E485 WeakPolarHBondContact O-CB 3.36Å; L482-E485 PolarHBondContact O-N 3Å; L482-E485 VanDerWaalsContact O-N 3.15Å; L483-E485 PolarHBondContact O-N 3.45Å; L483-E485 VanDerWaalsContact O-N 3.1Å; E485-P487 WeakPolarHBondContact O-CD 3.47Å; E485-S528 VanDerWaalsContact OE1-CB 3.27Å; E485-S528 WeakPolarHBondContact OE1-CB 3.4Å; E485-S528 PolarHBondContact OE1-OG 3.31Å
486C95.5Very high93.1Very high2 Ų230.4 Ų30.41%0.01414%0.14CC..SBendtrans-80.4120.6175.4-175.30000110.8F442 L483 P484 L488 M489F442-C486 HydrophobicContact CB-CB 4.49Å; F442-C486 HydrophobicContact CD2-CB 3.86Å; F442-C486 HydrophobicContact CE2-CB 4.27Å; F442-C486 HydrophobicContact CG-CB 4.21Å; L483-C486 VanDerWaalsContact O-CB 3.28Å; L483-C486 WeakPolarHBondContact O-CB 3.48Å; L483-C486 PolarHBondContact O-N 3.28Å; P484-C486 PolarHBondContact O-N 3.14Å; C486-L488 PolarHBondContact O-N 3.38Å; C486-M489 HydrophobicContact CB-CG 4.23Å; C486-M489 WeakPolarHBondContact O-CB 3.25Å; C486-M489 PolarHBondContact O-N 3.41Å
487P94.6Very high93.1Very high47 Ų4732.1 Ų32.131%0.30515%0.151SC..G310 helixtrans-57.9-22.8-178.4-27.135.9000114.7K443 E485 M489 Q490 N491K443-P487 HydrophobicContact CB-CG 4.34Å; E485-P487 WeakPolarHBondContact O-CD 3.47Å; P487-M489 PolarHBondContact O-N 3.46Å; P487-Q490 PolarHBondContact O-N 3.35Å; P487-N491 PolarHBondContact O-N 2.7Å
488L93.9Very high93.1Very high6 Ų631.9 Ų31.93%0.03115%0.15CC..G310 helixtrans-65.1-27.7177.2-61.6174000112.8T446 S452 I455 C486 Q490 N491 N494 L498T446-L488 HydrophobicContact CG2-CD1 3.78Å; T446-L488 HydrophobicContact CG2-CD2 4.21Å; T446-L488 HydrophobicContact CG2-CG 3.69Å; S452-L488 WeakPolarHBondContact OG-CD2 3.46Å; I455-L488 HydrophobicContact CB-CD1 3.9Å; I455-L488 HydrophobicContact CG2-CD1 3.53Å; C486-L488 PolarHBondContact O-N 3.38Å; L488-Q490 PolarHBondContact O-N 2.93Å; L488-N491 WeakPolarHBondContact O-CB 3.27Å; L488-N491 PolarHBondContact O-N 3.46Å; L488-N494 PolarHBondContact O-ND2 3Å; L488-L498 HydrophobicContact CB-CD1 4.12Å
489M93.6Very high93.2Very high2 Ų231.8 Ų31.81%0.0115%0.149CC..G310 helixtrans-69.4-21.5176-62.6-62.7-71.800112.8L483 C486 P487 L498 T499 F502 M535L483-M489 WeakPolarHBondContact O-CG 3.44Å; C486-M489 HydrophobicContact CB-CG 4.23Å; C486-M489 WeakPolarHBondContact O-CB 3.25Å; C486-M489 PolarHBondContact O-N 3.41Å; P487-M489 PolarHBondContact O-N 3.46Å; M489-L498 HydrophobicContact CE-CB 4.34Å; M489-L498 HydrophobicContact SD-CB 3.68Å; M489-L498 HydrophobicContact SD-CD1 4.17Å; M489-L498 HydrophobicContact SD-CG 4.49Å; M489-T499 PolarHBondContact O-OG1 3.44Å; M489-F502 HydrophobicContact CE-CB 3.67Å; M489-F502 HydrophobicContact CE-CD1 4.4Å; M489-F502 HydrophobicContact CE-CD2 4.29Å; M489-F502 HydrophobicContact CE-CG 3.88Å; M489-M535 HydrophobicContact CB-CG 4.03Å; M489-M535 HydrophobicContact CB-SD 3.65Å; M489-M535 HydrophobicContact CE-SD 3.99Å; M489-M535 HydrophobicContact CG-SD 4.35Å; M489-M535 WeakPolarHBondContact O-CG 3.35Å
490Q89.9Confident93.1Very high56 Ų5631.9 Ų31.926%0.26215%0.15SC..G310 helixtrans-97.6-1.8178.7-59.5176.629.400112.4P487 L488 N492 M535 R538P487-Q490 PolarHBondContact O-N 3.35Å; L488-Q490 PolarHBondContact O-N 2.93Å; Q490-N492 PolarHBondContact O-N 3.02Å; Q490-M535 HydrophobicContact CG-CB 4.06Å; Q490-M535 HydrophobicContact CG-CG 4.33Å; Q490-R538 VanDerWaalsContact O-CD 3.26Å; Q490-R538 WeakPolarHBondContact O-CD 3.48Å; Q490-R538 PolarHBondContact O-NE 3.15Å; Q490-R538 VanDerWaalsContact O-NE 3.16Å; Q490-R538 PolarHBondContact O-NH1 2.92Å; Q490-R538 VanDerWaalsContact O-NH1 3.07Å
491N88.8Confident93.1Very high60 Ų6035.7 Ų35.732%0.32117%0.166SC..  trans-74129.2-177.3-173.4-14.9000111P487 L488 R493 N494 W495P487-N491 PolarHBondContact O-N 2.7Å; L488-N491 WeakPolarHBondContact O-CB 3.27Å; L488-N491 PolarHBondContact O-N 3.46Å; N491-R493 PolarHBondContact O-N 3.45Å; N491-R493 PolarHBondContact OD1-N 3.27Å; N491-R493 VanDerWaalsContact OD1-N 3.12Å; N491-N494 HydrophobicContact CB-CB 4.32Å; N491-N494 PolarHBondContact O-N 3.14Å; N491-W495 PolarHBondContact O-N 3.13Å
492N87.6Confident93.1Very high80 Ų8035.4 Ų35.443%0.42817%0.165SC..THydrogen-bonded Turntrans-53.3-25.6177.5-768000114.2Q490 R538 I542Q490-N492 PolarHBondContact O-N 3.02Å; N492-R538 PolarHBondContact OD1-NE 3.37Å; N492-R538 PolarHBondContact OD1-NH2 3.34Å; N492-I542 HydrophobicContact CB-CD1 4.01Å
493R88.7Confident93.2Very high219 Ų21935.4 Ų35.483%0.82617%0.165SC*.THydrogen-bonded Turntrans-83.1-23.2-179.9-64.1-175.4-179.7-176.3-0.6113.1N491N491-R493 PolarHBondContact O-N 3.45Å; N491-R493 PolarHBondContact OD1-N 3.27Å; N491-R493 VanDerWaalsContact OD1-N 3.12Å
494N90.9Very high93.1Very high19 Ų1938.2 Ų38.210%0.10218%0.177CC..THydrogen-bonded Turntrans-105.21-169.4-64.1-2.5000113L488 N491 K496 T497 L498L488-N494 PolarHBondContact O-ND2 3Å; N491-N494 HydrophobicContact CB-CB 4.32Å; N491-N494 PolarHBondContact O-N 3.14Å; N494-K496 VanDerWaalsContact C-N 3.25Å; N494-K496 PolarHBondContact O-N 3.32Å; N494-T497 PolarHBondContact O-N 3.01Å; N494-T497 PolarHBondContact O-OG1 3.33Å; N494-L498 HydrophobicContact CB-CB 4.44Å; N494-L498 HydrophobicContact CB-CD1 3.79Å; N494-L498 HydrophobicContact CB-CG 3.98Å; N494-L498 WeakPolarHBondContact O-CB 3.41Å; N494-L498 PolarHBondContact O-N 2.93Å
495W91.1Very high93Very high23 Ų2338.5 Ų38.59%0.08718%0.179CC..Iπ-helixtrans-55.2-40.1-174.274.5-84.1000112.9N491 T499 V500 A539 I542 I543 L546N491-W495 PolarHBondContact O-N 3.13Å; W495-T499 CarbonylContact O-C 3.16Å; W495-T499 WeakPolarHBondContact O-CA 3.12Å; W495-T499 VanDerWaalsContact O-CB 3.28Å; W495-T499 WeakPolarHBondContact O-CB 3.43Å; W495-T499 PolarHBondContact O-N 3.19Å; W495-T499 VanDerWaalsContact O-N 3.16Å; W495-V500 HydrophobicContact CE3-CG2 3.64Å; W495-V500 HydrophobicContact CZ3-CG2 3.61Å; W495-V500 WeakPolarHBondContact O-CG2 3.24Å; W495-V500 PolarHBondContact O-N 3.2Å; W495-A539 HydrophobicContact CB-CB 4.05Å; W495-A539 HydrophobicContact CE3-CB 4.5Å; W495-I542 HydrophobicContact CB-CD1 4.18Å; W495-I542 HydrophobicContact CD2-CG2 4.15Å; W495-I542 HydrophobicContact CG-CB 4.4Å; W495-I542 HydrophobicContact CG-CD1 4.15Å; W495-I542 HydrophobicContact CG-CG2 4.11Å; W495-I542 HydrophobicContact CZ2-CG2 4.38Å; W495-I543 HydrophobicContact CE3-CB 4.43Å; W495-I543 HydrophobicContact CH2-CB 3.72Å; W495-I543 HydrophobicContact CH2-CD1 3.81Å; W495-I543 HydrophobicContact CH2-CG1 3.72Å; W495-I543 HydrophobicContact CZ2-CB 4.48Å; W495-I543 HydrophobicContact CZ3-CB 3.71Å; W495-I543 HydrophobicContact CZ3-CD1 3.8Å; W495-I543 HydrophobicContact CZ3-CG1 4Å; W495-L546 HydrophobicContact CH2-CD1 4.45Å; W495-L546 HydrophobicContact CZ2-CD1 3.61Å
496K89.3Confident93Very high99 Ų9938.4 Ų38.443%0.4318%0.179SC..Iπ-helixtrans-77.6-41-178.5-171.2174-177.2175.80112.3N494N494-K496 VanDerWaalsContact C-N 3.25Å; N494-K496 PolarHBondContact O-N 3.32Å
497T90.8Very high92.9Very high36 Ų3641.4 Ų41.422%0.22120%0.199CC..Iπ-helixtrans-80.8-31.1-174.755.40000112.4E460 N494 K501E460-T497 WeakPolarHBondContact OE1-CB 3.49Å; E460-T497 WeakPolarHBondContact OE1-CG2 3.41Å; E460-T497 WeakPolarHBondContact OE2-CB 3.35Å; N494-T497 PolarHBondContact O-N 3.01Å; N494-T497 PolarHBondContact O-OG1 3.33Å; T497-K501 WeakPolarHBondContact O-CD 3.27Å; T497-K501 VanDerWaalsContact O-CG 3.29Å; T497-K501 WeakPolarHBondContact O-CG 3.24Å
498L95.2Very high92.8Very high0 Ų045.9 Ų45.90%021%0.213CC..Iπ-helixtrans-108.2-65.1-179.1-56.2-174.5000112.7T456 L459 E460 L464 L488 M489 N494 V500 K501 F502T456-L498 HydrophobicContact CG2-CD1 4.42Å; L459-L498 HydrophobicContact CB-CD2 3.82Å; L459-L498 HydrophobicContact CD1-CD1 4.45Å; E460-L498 HydrophobicContact CB-CD2 3.98Å; L464-L498 HydrophobicContact CD1-CB 4.18Å; L464-L498 HydrophobicContact CD1-CD2 3.58Å; L464-L498 HydrophobicContact CD1-CG 4.49Å; L488-L498 HydrophobicContact CB-CD1 4.12Å; M489-L498 HydrophobicContact CE-CB 4.34Å; M489-L498 HydrophobicContact SD-CB 3.68Å; M489-L498 HydrophobicContact SD-CD1 4.17Å; M489-L498 HydrophobicContact SD-CG 4.49Å; N494-L498 HydrophobicContact CB-CB 4.44Å; N494-L498 HydrophobicContact CB-CD1 3.79Å; N494-L498 HydrophobicContact CB-CG 3.98Å; N494-L498 WeakPolarHBondContact O-CB 3.41Å; N494-L498 PolarHBondContact O-N 2.93Å; L498-V500 PolarHBondContact O-N 3.27Å; L498-K501 PolarHBondContact O-N 3.39Å; L498-F502 WeakPolarHBondContact O-CB 3.45Å; L498-F502 PolarHBondContact O-N 3.4Å
499T95.8Very high92.8Very high1 Ų146.4 Ų46.41%0.00622%0.216CC..Iπ-helixtrans-64.5-42.1-169.7-39.50000112.9M489 W495 F502 A503 M535 A539 L562M489-T499 PolarHBondContact O-OG1 3.44Å; W495-T499 CarbonylContact O-C 3.16Å; W495-T499 WeakPolarHBondContact O-CA 3.12Å; W495-T499 VanDerWaalsContact O-CB 3.28Å; W495-T499 WeakPolarHBondContact O-CB 3.43Å; W495-T499 PolarHBondContact O-N 3.19Å; W495-T499 VanDerWaalsContact O-N 3.16Å; T499-F502 PolarHBondContact O-N 3.34Å; T499-A503 WeakPolarHBondContact O-CB 3.47Å; T499-A503 PolarHBondContact O-N 2.96Å; T499-M535 HydrophobicContact CG2-CE 4.08Å; T499-M535 HydrophobicContact CG2-CG 3.76Å; T499-M535 HydrophobicContact CG2-SD 4.14Å; T499-A539 HydrophobicContact CG2-CB 3.79Å; T499-L562 HydrophobicContact CG2-CD2 4.09Å
500V94.2Very high92.7Very high2 Ų248.4 Ų48.41%0.01223%0.227CC..Hα-helixtrans-68.4-42.5176.1169.50000111.6W495 L498 F502 A503 K504 D558 L562W495-V500 HydrophobicContact CE3-CG2 3.64Å; W495-V500 HydrophobicContact CZ3-CG2 3.61Å; W495-V500 WeakPolarHBondContact O-CG2 3.24Å; W495-V500 PolarHBondContact O-N 3.2Å; L498-V500 PolarHBondContact O-N 3.27Å; V500-F502 VanDerWaalsContact C-N 3.31Å; V500-F502 PolarHBondContact O-N 3.44Å; V500-A503 PolarHBondContact O-N 3.12Å; V500-K504 HydrophobicContact CG1-CD 4.16Å; V500-K504 HydrophobicContact CG1-CG 4.43Å; V500-K504 WeakPolarHBondContact O-CB 3.2Å; V500-K504 WeakPolarHBondContact O-CG 3.35Å; V500-K504 PolarHBondContact O-N 2.92Å; V500-D558 HydrophobicContact CG1-CB 3.77Å; V500-D558 HydrophobicContact CG2-CB 4.26Å; V500-L562 HydrophobicContact CG2-CD1 3.97Å; V500-L562 HydrophobicContact CG2-CD2 4.38Å; V500-L562 HydrophobicContact CG2-CG 4.28Å
501K95.1Very high92.8Very high80 Ų8054.9 Ų54.935%0.34825%0.254SS..Hα-helixtrans-60.8-43.2175.9-75.3-165.2-168.3172.60110.7E460 L464 T497 L498 K504 A505E460-K501 PolarHBondContact O-NZ 3.37Å; L464-K501 HydrophobicContact CB-CB 4.27Å; L464-K501 HydrophobicContact CB-CD 4.36Å; L464-K501 HydrophobicContact CD1-CB 4.05Å; L464-K501 HydrophobicContact CD1-CD 4.49Å; T497-K501 WeakPolarHBondContact O-CD 3.27Å; T497-K501 VanDerWaalsContact O-CG 3.29Å; T497-K501 WeakPolarHBondContact O-CG 3.24Å; L498-K501 PolarHBondContact O-N 3.39Å; K501-K504 PolarHBondContact O-N 3.18Å; K501-A505 WeakPolarHBondContact O-CB 3.44Å; K501-A505 PolarHBondContact O-N 2.98Å
502F96.8Very high92.8Very high1 Ų158.4 Ų58.40%0.00427%0.269CS..Hα-helixtrans-58.9-48.3173173.8-97.3000112.4L464 F480 L483 P484 M489 L498 T499 V500 K504 A505 I506 M535L464-F502 HydrophobicContact CD2-CB 4.09Å; F480-F502 HydrophobicContact CB-CE2 4.39Å; F480-F502 HydrophobicContact CD1-CD2 4.35Å; F480-F502 AromaticContact CD1-CE2 3.74Å; F480-F502 HydrophobicContact CD1-CE2 3.74Å; F480-F502 HydrophobicContact CD1-CZ 4.33Å; F480-F502 HydrophobicContact CG-CE2 4.49Å; L483-F502 HydrophobicContact CB-CD2 4.23Å; L483-F502 HydrophobicContact CB-CE2 4.03Å; L483-F502 HydrophobicContact CD1-CD2 3.78Å; L483-F502 HydrophobicContact CD1-CE2 4.03Å; P484-F502 HydrophobicContact CG-CE1 4.34Å; P484-F502 HydrophobicContact CG-CZ 3.89Å; M489-F502 HydrophobicContact CE-CB 3.67Å; M489-F502 HydrophobicContact CE-CD1 4.4Å; M489-F502 HydrophobicContact CE-CD2 4.29Å; M489-F502 HydrophobicContact CE-CG 3.88Å; L498-F502 WeakPolarHBondContact O-CB 3.45Å; L498-F502 PolarHBondContact O-N 3.4Å; T499-F502 PolarHBondContact O-N 3.34Å; V500-F502 VanDerWaalsContact C-N 3.31Å; V500-F502 PolarHBondContact O-N 3.44Å; F502-K504 VanDerWaalsContact C-N 3.33Å; F502-K504 PolarHBondContact O-N 3.37Å; F502-A505 WeakPolarHBondContact O-CB 3.42Å; F502-A505 PolarHBondContact O-N 3.38Å; F502-A505 VanDerWaalsContact O-N 3.14Å; F502-I506 HydrophobicContact CD1-CD1 4.04Å; F502-I506 HydrophobicContact CE1-CD1 3.39Å; F502-I506 HydrophobicContact CE2-CD1 4.23Å; F502-I506 HydrophobicContact CZ-CD1 3.53Å; F502-I506 HydrophobicContact CZ-CG1 4.46Å; F502-I506 PolarHBondContact O-N 3.15Å; F502-I506 VanDerWaalsContact O-N 3.1Å; F502-M535 HydrophobicContact CD1-CE 3.87Å; F502-M535 HydrophobicContact CE1-CE 3.75Å
503A96.4Very high93Very high0 Ų054.8 Ų54.80%025%0.249CC..Hα-helixtrans-63.3-39.9178.900000112.4T499 V500 A505 I506 C507 A561 L562 V565T499-A503 WeakPolarHBondContact O-CB 3.47Å; T499-A503 PolarHBondContact O-N 2.96Å; V500-A503 PolarHBondContact O-N 3.12Å; A503-A505 VanDerWaalsContact C-N 3.34Å; A503-A505 PolarHBondContact O-N 2.97Å; A503-I506 PolarHBondContact O-N 3.46Å; A503-C507 PolarHBondContact O-N 3.21Å; A503-C507 PolarHBondContact O-SG 3.19Å; A503-A561 HydrophobicContact CB-CB 4.31Å; A503-L562 HydrophobicContact CB-CD2 3.85Å; A503-L562 HydrophobicContact CB-CG 4.4Å; A503-V565 HydrophobicContact CB-CG2 3.93Å
504K94.5Very high93.3Very high65 Ų6545.8 Ų45.828%0.28322%0.218SC..Hα-helixtrans-63.6-37.2173.3-75.6178.1178.7172.60112.6V500 K501 F502 C507 K508 D558 A561V500-K504 HydrophobicContact CG1-CD 4.16Å; V500-K504 HydrophobicContact CG1-CG 4.43Å; V500-K504 WeakPolarHBondContact O-CB 3.2Å; V500-K504 WeakPolarHBondContact O-CG 3.35Å; V500-K504 PolarHBondContact O-N 2.92Å; K501-K504 PolarHBondContact O-N 3.18Å; F502-K504 VanDerWaalsContact C-N 3.33Å; F502-K504 PolarHBondContact O-N 3.37Å; K504-C507 PolarHBondContact O-N 3.45Å; K504-K508 WeakPolarHBondContact O-CG 3.44Å; K504-K508 PolarHBondContact O-N 2.87Å; K504-K508 VanDerWaalsContact O-N 3.13Å; K504-D558 WeakPolarHBondContact CE-OD1 3.28Å; K504-D558 IonicContact NZ-OD1 2.79Å; K504-D558 PolarHBondContact NZ-OD1 3.07Å; K504-A561 HydrophobicContact CG-CB 3.88Å
505A95Very high93.3Very high6 Ų647.2 Ų47.25%0.0523%0.232CC..Hα-helixtrans-61.8-45175.600000111L467 C469 F480 K501 F502 A503 C507 K508L467-A505 HydrophobicContact CB-CB 4.39Å; L467-A505 HydrophobicContact CD1-CB 3.63Å; C469-A505 PolarHBondContact SG-O 3.49Å; F480-A505 HydrophobicContact CE1-CB 4.17Å; K501-A505 WeakPolarHBondContact O-CB 3.44Å; K501-A505 PolarHBondContact O-N 2.98Å; F502-A505 WeakPolarHBondContact O-CB 3.42Å; F502-A505 PolarHBondContact O-N 3.38Å; F502-A505 VanDerWaalsContact O-N 3.14Å; A503-A505 VanDerWaalsContact C-N 3.34Å; A503-A505 PolarHBondContact O-N 2.97Å; A505-C507 PolarHBondContact O-N 3.27Å; A505-K508 PolarHBondContact O-N 3.03Å; A505-K508 VanDerWaalsContact O-N 3.16Å
506I95.9Very high93.3Very high2 Ų247 Ų471%0.0123%0.232CC..Hα-helixtrans-61.8-42.7174.4-65172000111.3F480 F502 A503 K508 M509 L514 L517 W521 V565F480-I506 HydrophobicContact CD1-CD1 4.26Å; F480-I506 HydrophobicContact CD1-CG1 3.7Å; F480-I506 HydrophobicContact CE1-CG1 3.89Å; F502-I506 HydrophobicContact CD1-CD1 4.04Å; F502-I506 HydrophobicContact CE1-CD1 3.39Å; F502-I506 HydrophobicContact CE2-CD1 4.23Å; F502-I506 HydrophobicContact CZ-CD1 3.53Å; F502-I506 HydrophobicContact CZ-CG1 4.46Å; F502-I506 PolarHBondContact O-N 3.15Å; F502-I506 VanDerWaalsContact O-N 3.1Å; A503-I506 PolarHBondContact O-N 3.46Å; I506-K508 PolarHBondContact O-N 3.1Å; I506-M509 HydrophobicContact CG1-CE 4.41Å; I506-M509 HydrophobicContact CG2-SD 4.42Å; I506-M509 VanDerWaalsContact O-CB 3.25Å; I506-M509 WeakPolarHBondContact O-CB 3.29Å; I506-M509 WeakPolarHBondContact O-CG 3.4Å; I506-M509 PolarHBondContact O-N 2.78Å; I506-L514 HydrophobicContact CG2-CD1 3.95Å; I506-L517 HydrophobicContact CD1-CD2 4.21Å; I506-L517 HydrophobicContact CG1-CD2 4.22Å; I506-L517 HydrophobicContact CG2-CD2 4.3Å; I506-W521 HydrophobicContact CD1-CH2 4.2Å; I506-W521 HydrophobicContact CD1-CZ2 4.15Å; I506-W521 HydrophobicContact CG2-CH2 4.33Å; I506-V565 HydrophobicContact CB-CG2 3.81Å; I506-V565 HydrophobicContact CD1-CG1 3.81Å; I506-V565 HydrophobicContact CD1-CG2 4.15Å; I506-V565 HydrophobicContact CG2-CG2 3.82Å
507C92.9Very high93.5Very high65 Ų6542.3 Ų42.344%0.43921%0.211SC..Hα-helixtrans-64.7-20.6178.4-65.70000113.7A503 K504 A505A503-C507 PolarHBondContact O-N 3.21Å; A503-C507 PolarHBondContact O-SG 3.19Å; K504-C507 PolarHBondContact O-N 3.45Å; A505-C507 PolarHBondContact O-N 3.27Å
508K93.4Very high93.7Very high141 Ų14145 Ų4561%0.61322%0.217SC*.THydrogen-bonded Turntrans-84-9.6174.2-70.9173.1-178.6-176.50113H470 K504 A505 I506H470-K508 PolarHBondContact CE1-O 2.68Å; H470-K508 PolarHBondContact ND1-O 2.9Å; K504-K508 WeakPolarHBondContact O-CG 3.44Å; K504-K508 PolarHBondContact O-N 2.87Å; K504-K508 VanDerWaalsContact O-N 3.13Å; A505-K508 PolarHBondContact O-N 3.03Å; A505-K508 VanDerWaalsContact O-N 3.16Å; I506-K508 PolarHBondContact O-N 3.1Å
509M93.5Very high93.5Very high17 Ų1751.2 Ų51.28%0.08425%0.245CC..  trans-60.9148.2-177.6-71.2-174.4169.200112.4C469 L477 F480 I506 L514 L517C469-M509 HydrophobicContact CB-CG 4.35Å; C469-M509 WeakPolarHBondContact O-CA 3.45Å; C469-M509 WeakPolarHBondContact O-CG 3.43Å; L477-M509 HydrophobicContact CD2-CE 4.23Å; F480-M509 HydrophobicContact CD1-CE 3.6Å; F480-M509 HydrophobicContact CD2-CE 3.44Å; F480-M509 VanDerWaalsContact CD2-CE 3.44Å; F480-M509 HydrophobicContact CE1-CE 3.38Å; F480-M509 HydrophobicContact CE2-CE 3.21Å; F480-M509 HydrophobicContact CG-CE 3.63Å; F480-M509 HydrophobicContact CZ-CE 3.17Å; I506-M509 HydrophobicContact CG1-CE 4.41Å; I506-M509 HydrophobicContact CG2-SD 4.42Å; I506-M509 VanDerWaalsContact O-CB 3.25Å; I506-M509 WeakPolarHBondContact O-CB 3.29Å; I506-M509 WeakPolarHBondContact O-CG 3.4Å; I506-M509 PolarHBondContact O-N 2.78Å; M509-L514 HydrophobicContact CB-CB 4.27Å; M509-L517 HydrophobicContact CE-CD2 4.04Å; M509-L517 HydrophobicContact SD-CD2 4.06Å
510N91Very high93.3Very high45 Ų4551.2 Ų51.224%0.24124%0.244CC..  trans-70.8167.3167.471.642.7000110.3E512 S513 L514N510-E512 VanDerWaalsContact C-N 3.26Å; N510-E512 PolarHBondContact O-N 3.12Å; N510-E512 PolarHBondContact OD1-N 2.78Å; N510-S513 PolarHBondContact ND2-OG 2.68Å; N510-S513 PolarHBondContact OD1-N 2.93Å; N510-S513 PolarHBondContact OD1-OG 3.15Å; N510-L514 WeakPolarHBondContact O-CB 3.48Å; N510-L514 PolarHBondContact O-N 3.28Å; N510-L514 VanDerWaalsContact O-N 3.12Å
511K91.3Very high93.3Very high191 Ų19151.2 Ų51.283%0.8324%0.244SC*.Hα-helixtrans-60.6-33.9-176.7-69.1179.8-179.6175.80113.2A515K511-A515 VanDerWaalsContact O-CB 3.25Å; K511-A515 WeakPolarHBondContact O-CB 3.25Å; K511-A515 PolarHBondContact O-N 2.92Å
512E90.3Very high93.2Very high135 Ų13549 Ų4963%0.63124%0.241SC*.Hα-helixtrans-73.8-49-177-65.6172.1-176.800111.5N510 L514 A515 F516N510-E512 VanDerWaalsContact C-N 3.26Å; N510-E512 PolarHBondContact O-N 3.12Å; N510-E512 PolarHBondContact OD1-N 2.78Å; E512-L514 VanDerWaalsContact C-N 3.3Å; E512-L514 PolarHBondContact O-N 3.27Å; E512-A515 PolarHBondContact O-N 3Å; E512-F516 PolarHBondContact O-N 3.37Å
513S91.9Very high92.9Very high3 Ų351.7 Ų51.72%0.02126%0.26CS..Hα-helixtrans-60.1-42.2176.7-50.20000111S471 N510 F516 L517S471-S513 PolarHBondContact O-OG 2.81Å; N510-S513 PolarHBondContact ND2-OG 2.68Å; N510-S513 PolarHBondContact OD1-N 2.93Å; N510-S513 PolarHBondContact OD1-OG 3.15Å; S513-F516 PolarHBondContact O-N 3.4Å; S513-L517 PolarHBondContact O-N 2.63Å
514L93.3Very high92.6Very high31 Ų3152 Ų5216%0.16226%0.262CS..Hα-helixtrans-68.1-37.5176.8-17562.7000112.4I506 M509 N510 E512 F516 L517 R518I506-L514 HydrophobicContact CG2-CD1 3.95Å; M509-L514 HydrophobicContact CB-CB 4.27Å; N510-L514 WeakPolarHBondContact O-CB 3.48Å; N510-L514 PolarHBondContact O-N 3.28Å; N510-L514 VanDerWaalsContact O-N 3.12Å; E512-L514 VanDerWaalsContact C-N 3.3Å; E512-L514 PolarHBondContact O-N 3.27Å; L514-F516 VanDerWaalsContact C-N 3.34Å; L514-L517 PolarHBondContact O-N 2.95Å; L514-R518 WeakPolarHBondContact O-CG 3.4Å; L514-R518 PolarHBondContact O-N 2.85Å
515A92.3Very high92.4Very high48 Ų4854.8 Ų54.840%0.39728%0.275SS..Hα-helixtrans-64.2-39.9175.100000111.6K511 E512 K519K511-A515 VanDerWaalsContact O-CB 3.25Å; K511-A515 WeakPolarHBondContact O-CB 3.25Å; K511-A515 PolarHBondContact O-N 2.92Å; E512-A515 PolarHBondContact O-N 3Å; A515-K519 WeakPolarHBondContact O-CG 3.18Å; A515-K519 PolarHBondContact O-N 2.87Å; A515-K519 VanDerWaalsContact O-N 3.14Å
516F91.3Very high92.3Very high19 Ų1956.3 Ų56.38%0.08329%0.288CS..Hα-helixtrans-61.8-49.4172.4175.4-104.9000111.6Q474 L477 L478 E512 S513 L514 R518 K519 C520Q474-F516 HydrophobicContact CB-CD2 4.43Å; Q474-F516 HydrophobicContact CB-CE1 4.11Å; Q474-F516 HydrophobicContact CB-CE2 3.85Å; Q474-F516 HydrophobicContact CB-CZ 3.67Å; Q474-F516 HydrophobicContact CG-CD2 3.77Å; Q474-F516 HydrophobicContact CG-CE1 4.41Å; Q474-F516 HydrophobicContact CG-CE2 3.6Å; Q474-F516 HydrophobicContact CG-CG 4.26Å; Q474-F516 HydrophobicContact CG-CZ 3.95Å; L477-F516 HydrophobicContact CB-CD1 3.99Å; L477-F516 HydrophobicContact CB-CE1 4.03Å; L477-F516 HydrophobicContact CD1-CB 4.47Å; L477-F516 HydrophobicContact CD1-CD1 3.76Å; L477-F516 HydrophobicContact CD1-CG 4.46Å; L478-F516 HydrophobicContact CD2-CZ 4.45Å; E512-F516 PolarHBondContact O-N 3.37Å; S513-F516 PolarHBondContact O-N 3.4Å; L514-F516 VanDerWaalsContact C-N 3.34Å; F516-R518 VanDerWaalsContact C-N 3.28Å; F516-R518 PolarHBondContact O-N 2.95Å; F516-K519 WeakPolarHBondContact O-CA 3.45Å; F516-K519 WeakPolarHBondContact O-CB 3.38Å; F516-K519 PolarHBondContact O-N 3.38Å; F516-C520 VanDerWaalsContact CZ-SG 3.51Å; F516-C520 PolarHBondContact O-N 3.26Å; F516-C520 PolarHBondContact O-SG 3.38Å; F516-C520 VanDerWaalsContact O-SG 3.41Å
517L93.6Very high92.1Very high1 Ų158.8 Ų58.81%0.00531%0.306CS..Hα-helixtrans-59.9-37.8179.9-171.561000112.5F480 L481 I506 M509 S513 L514 C520 W521F480-L517 HydrophobicContact CB-CD1 3.87Å; F480-L517 HydrophobicContact CB-CD2 4.23Å; L481-L517 HydrophobicContact CD2-CD1 3.76Å; L481-L517 HydrophobicContact CG-CD1 4.41Å; I506-L517 HydrophobicContact CD1-CD2 4.21Å; I506-L517 HydrophobicContact CG1-CD2 4.22Å; I506-L517 HydrophobicContact CG2-CD2 4.3Å; M509-L517 HydrophobicContact CE-CD2 4.04Å; M509-L517 HydrophobicContact SD-CD2 4.06Å; S513-L517 PolarHBondContact O-N 2.63Å; L514-L517 PolarHBondContact O-N 2.95Å; L517-C520 WeakPolarHBondContact O-CB 3.21Å; L517-C520 PolarHBondContact O-N 3.19Å; L517-W521 HydrophobicContact CD1-CZ2 4.14Å; L517-W521 HydrophobicContact CD2-CH2 3.39Å; L517-W521 HydrophobicContact CD2-CZ2 3.43Å; L517-W521 VanDerWaalsContact CD2-CZ2 3.43Å; L517-W521 HydrophobicContact CD2-CZ3 4.1Å; L517-W521 HydrophobicContact CG-CD2 4.11Å; L517-W521 HydrophobicContact CG-CE3 4.23Å; L517-W521 HydrophobicContact CG-CH2 3.69Å; L517-W521 HydrophobicContact CG-CZ2 3.56Å; L517-W521 HydrophobicContact CG-CZ3 4Å; L517-W521 PolarHBondContact O-N 3.27Å
518R93.3Very high92.1Very high91 Ų9155.9 Ų55.934%0.34329%0.286SS..Hα-helixtrans-63.3-39.1173-73.3177.468.4-172.6-5.6113L514 F516 C520 W521 A522 H568 A572L514-R518 WeakPolarHBondContact O-CG 3.4Å; L514-R518 PolarHBondContact O-N 2.85Å; F516-R518 VanDerWaalsContact C-N 3.28Å; F516-R518 PolarHBondContact O-N 2.95Å; R518-C520 VanDerWaalsContact C-N 3.34Å; R518-W521 HydrophobicContact CG-CE3 4.18Å; R518-W521 HydrophobicContact CG-CZ3 4.29Å; R518-W521 PolarHBondContact O-N 3.38Å; R518-A522 PolarHBondContact O-N 2.93Å; R518-H568 HydrophobicContact CG-CB 4.39Å; R518-A572 WeakPolarHBondContact O-CB 3.4Å
519K92.4Very high92.1Very high132 Ų13249.2 Ų49.257%0.57426%0.257SS*.Hα-helixtrans-63-42.8173.3-70.6177.1179.8-175.50110.8A515 F516 A522 S523A515-K519 WeakPolarHBondContact O-CG 3.18Å; A515-K519 PolarHBondContact O-N 2.87Å; A515-K519 VanDerWaalsContact O-N 3.14Å; F516-K519 WeakPolarHBondContact O-CA 3.45Å; F516-K519 WeakPolarHBondContact O-CB 3.38Å; F516-K519 PolarHBondContact O-N 3.38Å; K519-A522 PolarHBondContact O-N 3.24Å; K519-S523 PolarHBondContact O-N 3.48Å; K519-S523 PolarHBondContact O-OG 3.09Å
520C91.6Very high92.2Very high0 Ų050.9 Ų50.90%027%0.267CS..Hα-helixtrans-59.5-49.9175.5-62.90000111.4V431 L481 F516 L517 R518 A522 S523 L524V431-C520 HydrophobicContact CG2-CB 4.26Å; L481-C520 HydrophobicContact CD1-CB 3.87Å; L481-C520 HydrophobicContact CD2-CB 3.91Å; L481-C520 HydrophobicContact CG-CB 4.45Å; F516-C520 VanDerWaalsContact CZ-SG 3.51Å; F516-C520 PolarHBondContact O-N 3.26Å; F516-C520 PolarHBondContact O-SG 3.38Å; F516-C520 VanDerWaalsContact O-SG 3.41Å; L517-C520 WeakPolarHBondContact O-CB 3.21Å; L517-C520 PolarHBondContact O-N 3.19Å; R518-C520 VanDerWaalsContact C-N 3.34Å; C520-A522 VanDerWaalsContact C-N 3.3Å; C520-A522 PolarHBondContact O-N 3.47Å; C520-S523 CarbonylContact O-C 3.58Å; C520-S523 PolarHBondContact O-N 3.43Å; C520-S523 PolarHBondContact O-OG 2.83Å; C520-L524 WeakPolarHBondContact O-CG 3.31Å; C520-L524 PolarHBondContact O-N 3.14Å; C520-L524 VanDerWaalsContact O-N 3.14Å
521W94.1Very high92.3Very high2 Ų249.6 Ų49.61%0.00826%0.26CS..Hα-helixtrans-58-38.8177.2-70.8-33.9000113.4I506 L517 R518 S523 L524 L529 V565 H568 V569 A572I506-W521 HydrophobicContact CD1-CH2 4.2Å; I506-W521 HydrophobicContact CD1-CZ2 4.15Å; I506-W521 HydrophobicContact CG2-CH2 4.33Å; L517-W521 HydrophobicContact CD1-CZ2 4.14Å; L517-W521 HydrophobicContact CD2-CH2 3.39Å; L517-W521 HydrophobicContact CD2-CZ2 3.43Å; L517-W521 VanDerWaalsContact CD2-CZ2 3.43Å; L517-W521 HydrophobicContact CD2-CZ3 4.1Å; L517-W521 HydrophobicContact CG-CD2 4.11Å; L517-W521 HydrophobicContact CG-CE3 4.23Å; L517-W521 HydrophobicContact CG-CH2 3.69Å; L517-W521 HydrophobicContact CG-CZ2 3.56Å; L517-W521 HydrophobicContact CG-CZ3 4Å; L517-W521 PolarHBondContact O-N 3.27Å; R518-W521 HydrophobicContact CG-CE3 4.18Å; R518-W521 HydrophobicContact CG-CZ3 4.29Å; R518-W521 PolarHBondContact O-N 3.38Å; W521-S523 PolarHBondContact O-N 2.92Å; W521-L524 PolarHBondContact O-N 2.98Å; W521-L529 HydrophobicContact CB-CD1 4.2Å; W521-V565 HydrophobicContact CH2-CG1 4.15Å; W521-V565 HydrophobicContact CZ2-CG1 4.49Å; W521-H568 HydrophobicContact CE3-CB 4.47Å; W521-H568 HydrophobicContact CZ3-CB 3.72Å; W521-V569 HydrophobicContact CD2-CG2 3.96Å; W521-V569 HydrophobicContact CE3-CG2 3.99Å; W521-V569 HydrophobicContact CH2-CG2 4.1Å; W521-V569 HydrophobicContact CZ2-CG2 4.04Å; W521-V569 HydrophobicContact CZ3-CG2 4.09Å; W521-A572 HydrophobicContact CB-CB 3.83Å
522A92.2Very high92.5Very high35 Ų3540.7 Ų40.729%0.28922%0.222SC..Hα-helixtrans-65.3-25.5176.400000113.5R518 K519 C520 A572R518-A522 PolarHBondContact O-N 2.93Å; K519-A522 PolarHBondContact O-N 3.24Å; C520-A522 VanDerWaalsContact C-N 3.3Å; C520-A522 PolarHBondContact O-N 3.47Å; A522-A572 VanDerWaalsContact CA-O 3.23Å; A522-A572 WeakPolarHBondContact CA-O 3.37Å; A522-A572 HydrophobicContact CB-CB 4.34Å; A522-A572 WeakPolarHBondContact CB-O 3.33Å
523S90.3Very high92.8Very high56 Ų5634.3 Ų34.339%0.39219%0.192SC..Hα-helixtrans-94.7-4.8177.867.40000114.6K519 C520 W521K519-S523 PolarHBondContact O-N 3.48Å; K519-S523 PolarHBondContact O-OG 3.09Å; C520-S523 CarbonylContact O-C 3.58Å; C520-S523 PolarHBondContact O-N 3.43Å; C520-S523 PolarHBondContact O-OG 2.83Å; W521-S523 PolarHBondContact O-N 2.92Å
524L90.8Very high92.9Very high8 Ų837.5 Ų37.54%0.04221%0.207CC..SBendtrans-69.7150.4-178.8-72-173.3000111.9V431 L435 L481 C520 W521 L529 Q575V431-L524 HydrophobicContact CG2-CD2 4.31Å; L435-L524 HydrophobicContact CD1-CD2 3.52Å; L481-L524 HydrophobicContact CD2-CD1 4.48Å; C520-L524 WeakPolarHBondContact O-CG 3.31Å; C520-L524 PolarHBondContact O-N 3.14Å; C520-L524 VanDerWaalsContact O-N 3.14Å; W521-L524 PolarHBondContact O-N 2.98Å; L524-L529 HydrophobicContact CB-CB 4.41Å; L524-L529 HydrophobicContact CD1-CD1 4.49Å; L524-Q575 PolarHBondContact O-NE2 3.05Å; L524-Q575 PolarHBondContact O-OE1 2.95Å; L524-Q575 VanDerWaalsContact O-OE1 3.12Å
525E90.9Very high93Very high122 Ų12236 Ų3657%0.5720%0.199SC*.  trans-64.6147.6165.7-64.4177.2-169.200111.2S527 S528 L529E525-S527 PolarHBondContact O-N 3.08Å; E525-S528 PolarHBondContact O-N 3.26Å; E525-L529 PolarHBondContact O-N 2.9Å
526A91.9Very high93.2Very high39 Ų3933.8 Ų33.832%0.32218%0.18SC..Hα-helixtrans-53.2-36.2-177.500000112.5L529 D530 Q575 L576A526-L529 PolarHBondContact O-N 2.81Å; A526-D530 VanDerWaalsContact O-CB 3.25Å; A526-D530 WeakPolarHBondContact O-CB 3.37Å; A526-D530 PolarHBondContact O-N 3.07Å; A526-Q575 HydrophobicContact CB-CB 4.22Å; A526-L576 HydrophobicContact CB-CD2 4.06Å
527S92.3Very high93.3Very high54 Ų5434.9 Ų34.938%0.37819%0.185SC..Hα-helixtrans-66-39.117979.40000113.5R439 E525 T531R439-S527 PolarHBondContact NH1-OG 3.1Å; E525-S527 PolarHBondContact O-N 3.08Å; S527-T531 WeakPolarHBondContact O-CB 3.25Å; S527-T531 PolarHBondContact O-N 3.36Å; S527-T531 VanDerWaalsContact O-N 3.12Å; S527-T531 PolarHBondContact O-OG1 2.88Å
528S92.5Very high93.2Very high3 Ų340 Ų402%0.02120%0.204CC..Hα-helixtrans-76.3-38.9176.8-78.10000111.6R439 E485 E525 T531 V532R439-S528 PolarHBondContact NH2-OG 3.27Å; E485-S528 VanDerWaalsContact OE1-CB 3.27Å; E485-S528 WeakPolarHBondContact OE1-CB 3.4Å; E485-S528 PolarHBondContact OE1-OG 3.31Å; E525-S528 PolarHBondContact O-N 3.26Å; S528-T531 WeakPolarHBondContact O-CB 3.25Å; S528-T531 PolarHBondContact O-N 3.03Å; S528-V532 PolarHBondContact O-N 3.06Å
529L94.3Very high93.1Very high1 Ų135.8 Ų35.81%0.00519%0.189CC..Hα-helixtrans-63.8-43.3175.1-166.864.6000111.1W521 L524 E525 A526 T531 V532 V533 V569 N573 L576W521-L529 HydrophobicContact CB-CD1 4.2Å; L524-L529 HydrophobicContact CB-CB 4.41Å; L524-L529 HydrophobicContact CD1-CD1 4.49Å; E525-L529 PolarHBondContact O-N 2.9Å; A526-L529 PolarHBondContact O-N 2.81Å; L529-T531 VanDerWaalsContact C-N 3.3Å; L529-T531 PolarHBondContact O-N 2.83Å; L529-V532 WeakPolarHBondContact O-CB 3.33Å; L529-V532 PolarHBondContact O-N 3.26Å; L529-V533 WeakPolarHBondContact O-CG2 3.2Å; L529-V533 PolarHBondContact O-N 2.75Å; L529-V533 VanDerWaalsContact O-N 3.1Å; L529-V569 HydrophobicContact CD1-CG1 3.72Å; L529-V569 HydrophobicContact CG-CG1 4.43Å; L529-N573 HydrophobicContact CD2-CB 4.25Å; L529-N573 VanDerWaalsContact CD2-OD1 3.28Å; L529-N573 WeakPolarHBondContact CD2-OD1 3.49Å; L529-L576 HydrophobicContact CB-CD1 4.03Å; L529-L576 HydrophobicContact CD2-CD1 3.95Å; L529-L576 HydrophobicContact CD2-CG 4.12Å; L529-L576 HydrophobicContact CG-CD1 3.79Å; L529-L576 HydrophobicContact CG-CG 4.43Å
530D94.3Very high93Very high53 Ų5329.5 Ų29.528%0.28316%0.161SC..Hα-helixtrans-62-40175.9-178.760.3000110.9A526 V532 V533 Q534 L576 T580A526-D530 VanDerWaalsContact O-CB 3.25Å; A526-D530 WeakPolarHBondContact O-CB 3.37Å; A526-D530 PolarHBondContact O-N 3.07Å; D530-V532 VanDerWaalsContact C-N 3.28Å; D530-V532 PolarHBondContact O-N 3.18Å; D530-V533 PolarHBondContact O-N 3.31Å; D530-Q534 WeakPolarHBondContact O-CG 3.43Å; D530-Q534 PolarHBondContact O-N 3.03Å; D530-Q534 PolarHBondContact OD1-NE2 2.83Å; D530-L576 HydrophobicContact CB-CD1 4.16Å; D530-L576 HydrophobicContact CB-CD2 4.07Å; D530-T580 WeakPolarHBondContact OD1-CG2 3.49Å
531T94.4Very high92.9Very high18 Ų1830.3 Ų30.311%0.1117%0.167CC..Hα-helixtrans-54.5-43174.9-64.90000112.2P484 S527 S528 L529 M535P484-T531 VanDerWaalsContact O-CG2 3.25Å; P484-T531 WeakPolarHBondContact O-CG2 3.34Å; S527-T531 WeakPolarHBondContact O-CB 3.25Å; S527-T531 PolarHBondContact O-N 3.36Å; S527-T531 VanDerWaalsContact O-N 3.12Å; S527-T531 PolarHBondContact O-OG1 2.88Å; S528-T531 WeakPolarHBondContact O-CB 3.25Å; S528-T531 PolarHBondContact O-N 3.03Å; L529-T531 VanDerWaalsContact C-N 3.3Å; L529-T531 PolarHBondContact O-N 2.83Å; T531-M535 VanDerWaalsContact O-CB 3.3Å; T531-M535 WeakPolarHBondContact O-CB 3.25Å; T531-M535 PolarHBondContact O-N 3.49Å; T531-M535 VanDerWaalsContact O-N 3.09Å
532V95.6Very high92.6Very high4 Ų431.3 Ų31.32%0.02417%0.172CC..Hα-helixtrans-65.6-45.5175.3-178.50000111.2P484 S528 L529 D530 M535 L536 V569P484-V532 HydrophobicContact CB-CG2 3.78Å; P484-V532 HydrophobicContact CG-CG2 3.96Å; S528-V532 PolarHBondContact O-N 3.06Å; L529-V532 WeakPolarHBondContact O-CB 3.33Å; L529-V532 PolarHBondContact O-N 3.26Å; D530-V532 VanDerWaalsContact C-N 3.28Å; D530-V532 PolarHBondContact O-N 3.18Å; V532-M535 PolarHBondContact O-N 3.12Å; V532-L536 HydrophobicContact CG1-CD1 4.07Å; V532-L536 WeakPolarHBondContact O-CG 3.35Å; V532-L536 PolarHBondContact O-N 3.28Å; V532-L536 VanDerWaalsContact O-N 3.1Å; V532-V569 HydrophobicContact CG1-CG1 4.5Å; V532-V569 HydrophobicContact CG1-CG2 3.87Å
533V95.3Very high92.2Very high0 Ų030.4 Ų30.40%016%0.162CC..Hα-helixtrans-63.1-47.6-179.6176.30000111L529 D530 M535 L536 K537 M566 V569 L576 T580 F581L529-V533 WeakPolarHBondContact O-CG2 3.2Å; L529-V533 PolarHBondContact O-N 2.75Å; L529-V533 VanDerWaalsContact O-N 3.1Å; D530-V533 PolarHBondContact O-N 3.31Å; V533-M535 VanDerWaalsContact C-N 3.34Å; V533-M535 PolarHBondContact O-N 2.83Å; V533-L536 PolarHBondContact O-N 3.02Å; V533-K537 WeakPolarHBondContact O-CB 3.47Å; V533-K537 PolarHBondContact O-N 3Å; V533-M566 HydrophobicContact CG1-CE 4.23Å; V533-M566 HydrophobicContact CG1-SD 4.03Å; V533-M566 HydrophobicContact CG2-SD 4.45Å; V533-V569 HydrophobicContact CG2-CG1 3.82Å; V533-L576 HydrophobicContact CG2-CD1 4.14Å; V533-T580 HydrophobicContact CG1-CG2 4.05Å; V533-F581 HydrophobicContact CG1-CD1 4.16Å; V533-F581 HydrophobicContact CG1-CE1 4.29Å; V533-F581 HydrophobicContact CG2-CD1 4.17Å; V533-F581 HydrophobicContact CG2-CE1 3.48Å; V533-F581 VanDerWaalsContact CG2-CE1 3.48Å; V533-F581 HydrophobicContact CG2-CZ 3.83Å
534Q94.6Very high91.6Very high70 Ų7028 Ų2833%0.32715%0.145SC..Hα-helixtrans-63.6-39.4178.7-62.4-49.3-37.500112D530 R538D530-Q534 WeakPolarHBondContact O-CG 3.43Å; D530-Q534 PolarHBondContact O-N 3.03Å; D530-Q534 PolarHBondContact OD1-NE2 2.83Å; Q534-R538 WeakPolarHBondContact O-CB 3.33Å; Q534-R538 PolarHBondContact O-N 3.41Å
535M95.8Very high91.1Very high1 Ų133.8 Ų33.81%0.00517%0.172CC..Hα-helixtrans-57.6-49.8174.8-179.2-162.269.400111.4P484 M489 Q490 T499 F502 T531 V532 V533 A539P484-M535 HydrophobicContact CB-CE 4.47Å; P484-M535 HydrophobicContact CB-SD 4.06Å; P484-M535 HydrophobicContact CG-CE 4.35Å; P484-M535 HydrophobicContact CG-SD 4.34Å; M489-M535 HydrophobicContact CB-CG 4.03Å; M489-M535 HydrophobicContact CB-SD 3.65Å; M489-M535 HydrophobicContact CE-SD 3.99Å; M489-M535 HydrophobicContact CG-SD 4.35Å; M489-M535 WeakPolarHBondContact O-CG 3.35Å; Q490-M535 HydrophobicContact CG-CB 4.06Å; Q490-M535 HydrophobicContact CG-CG 4.33Å; T499-M535 HydrophobicContact CG2-CE 4.08Å; T499-M535 HydrophobicContact CG2-CG 3.76Å; T499-M535 HydrophobicContact CG2-SD 4.14Å; F502-M535 HydrophobicContact CD1-CE 3.87Å; F502-M535 HydrophobicContact CE1-CE 3.75Å; T531-M535 VanDerWaalsContact O-CB 3.3Å; T531-M535 WeakPolarHBondContact O-CB 3.25Å; T531-M535 PolarHBondContact O-N 3.49Å; T531-M535 VanDerWaalsContact O-N 3.09Å; V532-M535 PolarHBondContact O-N 3.12Å; V533-M535 VanDerWaalsContact C-N 3.34Å; V533-M535 PolarHBondContact O-N 2.83Å; M535-A539 PolarHBondContact O-N 2.75Å
536L95.4Very high90.3Very high0 Ų032.7 Ų32.70%017%0.169CC..Hα-helixtrans-67.8-47.3179.4-67.1169.2000111.5V532 V533 R538 A539 I540 L562 V565 M566 V569V532-L536 HydrophobicContact CG1-CD1 4.07Å; V532-L536 WeakPolarHBondContact O-CG 3.35Å; V532-L536 PolarHBondContact O-N 3.28Å; V532-L536 VanDerWaalsContact O-N 3.1Å; V533-L536 PolarHBondContact O-N 3.02Å; L536-R538 VanDerWaalsContact C-N 3.31Å; L536-R538 PolarHBondContact O-N 3.13Å; L536-A539 PolarHBondContact O-N 3Å; L536-A539 VanDerWaalsContact O-N 3.16Å; L536-I540 VanDerWaalsContact O-CG1 3.26Å; L536-I540 WeakPolarHBondContact O-CG1 3.48Å; L536-I540 PolarHBondContact O-N 3.3Å; L536-L562 HydrophobicContact CD2-CD2 3.92Å; L536-V565 HydrophobicContact CD1-CB 4.29Å; L536-V565 HydrophobicContact CD1-CG1 3.81Å; L536-V565 HydrophobicContact CD2-CB 4.31Å; L536-V565 HydrophobicContact CD2-CG1 4.21Å; L536-M566 HydrophobicContact CB-CE 3.53Å; L536-M566 HydrophobicContact CB-SD 4.22Å; L536-M566 HydrophobicContact CD1-CB 4.31Å; L536-M566 HydrophobicContact CD1-SD 4.13Å; L536-V569 HydrophobicContact CD1-CG2 4.38Å
537K92.9Very high88.6Confident43 Ų4336.9 Ų36.919%0.18718%0.182CC..Hα-helixtrans-56-46-180177.3163.9175.2172.70111.2V533 A539 I540 T541 M566 V582 I583V533-K537 WeakPolarHBondContact O-CB 3.47Å; V533-K537 PolarHBondContact O-N 3Å; K537-A539 PolarHBondContact O-N 3.14Å; K537-I540 PolarHBondContact O-N 2.53Å; K537-T541 PolarHBondContact O-N 3.31Å; K537-T541 PolarHBondContact O-OG1 3.38Å; K537-T541 VanDerWaalsContact O-OG1 3.06Å; K537-M566 HydrophobicContact CB-CE 4.02Å; K537-V582 VanDerWaalsContact CE-O 3.25Å; K537-V582 WeakPolarHBondContact CE-O 3.38Å; K537-V582 PolarHBondContact NZ-O 3.09Å; K537-I583 HydrophobicContact CB-CD1 4.38Å; K537-I583 HydrophobicContact CD-CG1 4.19Å; K537-I583 HydrophobicContact CG-CD1 4.13Å; K537-I583 HydrophobicContact CG-CG1 3.96Å
538R92Very high86.8Confident108 Ų10838.4 Ų38.441%0.40819%0.186SC..Hα-helixtrans-62.5-42.7178.3-167.6164.6-178-179.6-1.6112.7Q490 N492 Q534 L536 T541 I542Q490-R538 VanDerWaalsContact O-CD 3.26Å; Q490-R538 WeakPolarHBondContact O-CD 3.48Å; Q490-R538 PolarHBondContact O-NE 3.15Å; Q490-R538 VanDerWaalsContact O-NE 3.16Å; Q490-R538 PolarHBondContact O-NH1 2.92Å; Q490-R538 VanDerWaalsContact O-NH1 3.07Å; N492-R538 PolarHBondContact OD1-NE 3.37Å; N492-R538 PolarHBondContact OD1-NH2 3.34Å; Q534-R538 WeakPolarHBondContact O-CB 3.33Å; Q534-R538 PolarHBondContact O-N 3.41Å; L536-R538 VanDerWaalsContact C-N 3.31Å; L536-R538 PolarHBondContact O-N 3.13Å; R538-T541 PolarHBondContact O-N 2.66Å; R538-I542 HydrophobicContact CG-CD1 4.27Å; R538-I542 WeakPolarHBondContact O-CD1 3.47Å; R538-I542 VanDerWaalsContact O-CG1 3.23Å; R538-I542 WeakPolarHBondContact O-CG1 3.23Å; R538-I542 PolarHBondContact O-N 2.76Å
539A92.1Very high84.7Confident2 Ų243.2 Ų43.22%0.01722%0.217CC..Hα-helixtrans-64.7-40.4175.200000112W495 T499 M535 L536 K537 I542 I543 L562W495-A539 HydrophobicContact CB-CB 4.05Å; W495-A539 HydrophobicContact CE3-CB 4.5Å; T499-A539 HydrophobicContact CG2-CB 3.79Å; M535-A539 PolarHBondContact O-N 2.75Å; L536-A539 PolarHBondContact O-N 3Å; L536-A539 VanDerWaalsContact O-N 3.16Å; K537-A539 PolarHBondContact O-N 3.14Å; A539-I542 PolarHBondContact O-N 2.78Å; A539-I543 WeakPolarHBondContact O-CG2 3.4Å; A539-I543 PolarHBondContact O-N 3.45Å; A539-L562 HydrophobicContact CB-CD1 3.89Å; A539-L562 HydrophobicContact CB-CD2 3.95Å
540I89.8Confident82.4Confident0 Ų053 Ų530%026%0.255CS..Hα-helixtrans-62.7-49175.4-66.5163.8000110.4L536 K537 I542 I543 S544 L559 L562 L563 M566 I583 L586L536-I540 VanDerWaalsContact O-CG1 3.26Å; L536-I540 WeakPolarHBondContact O-CG1 3.48Å; L536-I540 PolarHBondContact O-N 3.3Å; K537-I540 PolarHBondContact O-N 2.53Å; I540-I542 VanDerWaalsContact C-N 3.31Å; I540-I542 PolarHBondContact O-N 2.99Å; I540-I543 WeakPolarHBondContact O-CG2 3.3Å; I540-I543 PolarHBondContact O-N 3.13Å; I540-S544 WeakPolarHBondContact O-CB 3.44Å; I540-S544 PolarHBondContact O-N 2.76Å; I540-S544 PolarHBondContact O-OG 3.26Å; I540-L559 HydrophobicContact CG1-CD1 4.34Å; I540-L559 HydrophobicContact CG2-CD1 3.88Å; I540-L562 HydrophobicContact CD1-CB 4.14Å; I540-L562 HydrophobicContact CG1-CB 3.68Å; I540-L562 HydrophobicContact CG1-CD1 4.05Å; I540-L562 HydrophobicContact CG1-CG 4.43Å; I540-L563 HydrophobicContact CD1-CD2 3.93Å; I540-L563 HydrophobicContact CD1-CG 4.44Å; I540-M566 HydrophobicContact CD1-CE 4Å; I540-I583 HydrophobicContact CB-CD1 3.96Å; I540-I583 HydrophobicContact CD1-CD1 3.74Å; I540-I583 HydrophobicContact CG1-CD1 4.47Å; I540-I583 HydrophobicContact CG2-CD1 3.69Å; I540-I583 HydrophobicContact CG2-CG2 4.45Å; I540-L586 HydrophobicContact CG2-CD1 4.02Å; I540-L586 HydrophobicContact CG2-CD2 3.81Å; I540-L586 HydrophobicContact CG2-CG 4.06Å
541T88.9Confident80.4Confident18 Ų1852.5 Ų52.511%0.1126%0.257CS..Hα-helixtrans-58.3-42.8177.9-60.40000111.8K537 R538 S544 Q545 E585K537-T541 PolarHBondContact O-N 3.31Å; K537-T541 PolarHBondContact O-OG1 3.38Å; K537-T541 VanDerWaalsContact O-OG1 3.06Å; R538-T541 PolarHBondContact O-N 2.66Å; T541-S544 PolarHBondContact O-N 3.46Å; T541-Q545 VanDerWaalsContact O-CG 3.31Å; T541-Q545 WeakPolarHBondContact O-CG 3.46Å; T541-Q545 PolarHBondContact O-N 3.13Å; T541-E585 HydrophobicContact CG2-CB 4.17Å; T541-E585 HydrophobicContact CG2-CG 3.74Å; T541-E585 PolarHBondContact OG1-OE2 3.32Å
542I87.6Confident78.7Confident23 Ų2359.7 Ų59.712%0.11829%0.286CS..Hα-helixtrans-65.7-49.1179-65.6161000111.3N492 W495 R538 A539 I540 S544 Q545 L546N492-I542 HydrophobicContact CB-CD1 4.01Å; W495-I542 HydrophobicContact CB-CD1 4.18Å; W495-I542 HydrophobicContact CD2-CG2 4.15Å; W495-I542 HydrophobicContact CG-CB 4.4Å; W495-I542 HydrophobicContact CG-CD1 4.15Å; W495-I542 HydrophobicContact CG-CG2 4.11Å; W495-I542 HydrophobicContact CZ2-CG2 4.38Å; R538-I542 HydrophobicContact CG-CD1 4.27Å; R538-I542 WeakPolarHBondContact O-CD1 3.47Å; R538-I542 VanDerWaalsContact O-CG1 3.23Å; R538-I542 WeakPolarHBondContact O-CG1 3.23Å; R538-I542 PolarHBondContact O-N 2.76Å; A539-I542 PolarHBondContact O-N 2.78Å; I540-I542 VanDerWaalsContact C-N 3.31Å; I540-I542 PolarHBondContact O-N 2.99Å; I542-S544 PolarHBondContact O-N 3.41Å; I542-Q545 PolarHBondContact O-N 3.19Å; I542-Q545 VanDerWaalsContact O-N 3.13Å; I542-L546 HydrophobicContact CG2-CD1 4.13Å; I542-L546 WeakPolarHBondContact O-CG 3.49Å; I542-L546 PolarHBondContact O-N 3.22Å
543I84.3Confident77.2Confident15 Ų1564.7 Ų64.78%0.07731%0.312CS..Hα-helixtrans-62.9-32.9179.7-166.9169.8000111.4W495 A539 I540 H555 D558 L559 L562W495-I543 HydrophobicContact CE3-CB 4.43Å; W495-I543 HydrophobicContact CH2-CB 3.72Å; W495-I543 HydrophobicContact CH2-CD1 3.81Å; W495-I543 HydrophobicContact CH2-CG1 3.72Å; W495-I543 HydrophobicContact CZ2-CB 4.48Å; W495-I543 HydrophobicContact CZ3-CB 3.71Å; W495-I543 HydrophobicContact CZ3-CD1 3.8Å; W495-I543 HydrophobicContact CZ3-CG1 4Å; A539-I543 WeakPolarHBondContact O-CG2 3.4Å; A539-I543 PolarHBondContact O-N 3.45Å; I540-I543 WeakPolarHBondContact O-CG2 3.3Å; I540-I543 PolarHBondContact O-N 3.13Å; I543-H555 HydrophobicContact CD1-CB 4.29Å; I543-H555 VanDerWaalsContact CD1-O 3.28Å; I543-H555 WeakPolarHBondContact CD1-O 3.28Å; I543-D558 HydrophobicContact CD1-CB 3.77Å; I543-L559 HydrophobicContact CD1-CB 4.19Å; I543-L559 HydrophobicContact CG2-CB 4.39Å; I543-L559 HydrophobicContact CG2-CD1 3.84Å; I543-L562 HydrophobicContact CG2-CD1 4.47Å
544S78.6Confident76Confident7 Ų769 Ų695%0.04933%0.332CS..Hα-helixtrans-67.6-36.1174.4-65.30000113.2I540 T541 I542 L586 M589I540-S544 WeakPolarHBondContact O-CB 3.44Å; I540-S544 PolarHBondContact O-N 2.76Å; I540-S544 PolarHBondContact O-OG 3.26Å; T541-S544 PolarHBondContact O-N 3.46Å; I542-S544 PolarHBondContact O-N 3.41Å; S544-L586 VanDerWaalsContact OG-CD2 3.24Å; S544-L586 WeakPolarHBondContact OG-CD2 3.33Å; S544-M589 VanDerWaalsContact O-CE 3.23Å; S544-M589 WeakPolarHBondContact O-CE 3.28Å
545Q79.1Confident75.2Confident128 Ų12868.2 Ų68.260%0.59833%0.328SS*.Hα-helixtrans-75.9-19.9179.9-74.5173.4-2.300114.2T541 I542 H547T541-Q545 VanDerWaalsContact O-CG 3.31Å; T541-Q545 WeakPolarHBondContact O-CG 3.46Å; T541-Q545 PolarHBondContact O-N 3.13Å; I542-Q545 PolarHBondContact O-N 3.19Å; I542-Q545 VanDerWaalsContact O-N 3.13Å; Q545-H547 PolarHBondContact O-N 3.08Å
546L75.7Confident74.2Confident99 Ų9971.7 Ų71.752%0.51834%0.344SS..SBendtrans-7632-177.9-69.3169.7000113.6W495 I542 D548W495-L546 HydrophobicContact CH2-CD1 4.45Å; W495-L546 HydrophobicContact CZ2-CD1 3.61Å; I542-L546 HydrophobicContact CG2-CD1 4.13Å; I542-L546 WeakPolarHBondContact O-CG 3.49Å; I542-L546 PolarHBondContact O-N 3.22Å; L546-D548 PolarHBondContact O-N 3.48Å
547H55.6Low73.4Confident128 Ų12873.4 Ų73.459%0.59336%0.356SS*.  trans-37.295.4-172.1-168-52.4000114Q545 M589Q545-H547 PolarHBondContact O-N 3.08Å; H547-M589 HydrophobicContact CB-CE 4.24Å
548D54.3Low73.2Confident85 Ų8571.5 Ų71.546%0.45535%0.348SS..  trans-116.8110.9165.7-171.1-4.2000108.5L546 Y550 S551L546-D548 PolarHBondContact O-N 3.48Å; D548-Y550 PolarHBondContact O-N 3.03Å; D548-Y550 VanDerWaalsContact O-N 3.09Å; D548-Y550 PolarHBondContact OD1-N 3.03Å; D548-S551 WeakPolarHBondContact O-CB 3.46Å; D548-S551 PolarHBondContact O-N 3.09Å; D548-S551 PolarHBondContact O-OG 3.22Å
549P47.6Very low72.9Confident105 Ų10567.3 Ų67.368%0.68233%0.333SS*.THydrogen-bonded Turntrans-63.9-9.5177.725.6-31.4000113.1
550Y46.2Very low72.6Confident205 Ų20570.7 Ų70.780%0.80435%0.348SS*.THydrogen-bonded Turntrans-102.111.5170.2-63.4-82.2000113.6D548 K552D548-Y550 PolarHBondContact O-N 3.03Å; D548-Y550 VanDerWaalsContact O-N 3.09Å; D548-Y550 PolarHBondContact OD1-N 3.03Å; Y550-K552 PolarHBondContact O-N 3.16Å
551S53.2Low72.7Confident44 Ų4471 Ų7131%0.30835%0.351SS..  trans-51.3116-168.958.60000112.4D548 I553D548-S551 WeakPolarHBondContact O-CB 3.46Å; D548-S551 PolarHBondContact O-N 3.09Å; D548-S551 PolarHBondContact O-OG 3.22Å; S551-I553 PolarHBondContact O-N 3.45Å
552K59.3Low72.9Confident169 Ų16970.2 Ų70.274%0.73535%0.345SS*.  trans-43.9137.9178.3-65.2171.7-180175.70109.8Y550 Q554 H555Y550-K552 PolarHBondContact O-N 3.16Å; K552-Q554 CarbonylContact O-C 3.52Å; K552-Q554 PolarHBondContact O-N 2.8Å; K552-H555 PolarHBondContact O-N 3.1Å
553I63.3Low73.1Confident108 Ų10869.1 Ų69.155%0.55434%0.34SS*.Hα-helixtrans-32.5-36.7173-65.9167.4000113.2S551 H555 Q556 C557 N612S551-I553 PolarHBondContact O-N 3.45Å; I553-H555 PolarHBondContact O-N 3.24Å; I553-Q556 PolarHBondContact O-N 3.17Å; I553-C557 PolarHBondContact O-N 2.89Å; I553-C557 VanDerWaalsContact O-N 3.08Å; I553-C557 PolarHBondContact O-SG 3.23Å; I553-C557 VanDerWaalsContact O-SG 3.41Å; I553-N612 HydrophobicContact CG2-CB 4.36Å
554Q69.9Low73.4Confident92 Ų9270.6 Ų70.643%0.4335%0.347SS..Hα-helixtrans-54.2-41.3176-166.456.261.200115.4K552 Q556 C557 D558K552-Q554 CarbonylContact O-C 3.52Å; K552-Q554 PolarHBondContact O-N 2.8Å; Q554-Q556 VanDerWaalsContact C-N 3.33Å; Q554-Q556 PolarHBondContact O-N 3.42Å; Q554-C557 PolarHBondContact O-N 3.26Å; Q554-D558 PolarHBondContact NE2-OD1 2.85Å; Q554-D558 WeakPolarHBondContact O-CB 3.43Å; Q554-D558 PolarHBondContact O-N 3.09Å
555H77.2Confident74.2Confident52 Ų5270.3 Ų70.324%0.24134%0.344CS..Hα-helixtrans-65.9-37.4179.1-78.9-91000111.8I543 K552 I553 D558 L559I543-H555 HydrophobicContact CD1-CB 4.29Å; I543-H555 VanDerWaalsContact CD1-O 3.28Å; I543-H555 WeakPolarHBondContact CD1-O 3.28Å; K552-H555 PolarHBondContact O-N 3.1Å; I553-H555 PolarHBondContact O-N 3.24Å; H555-D558 PolarHBondContact O-N 3.29Å; H555-L559 WeakPolarHBondContact O-CB 3.48Å; H555-L559 PolarHBondContact O-N 2.79Å
556Q74.6Confident75Confident75 Ų7564.2 Ų64.235%0.3532%0.316SS..Hα-helixtrans-67.7-40.8175.2-66.2-176.2-13.300111.3I553 Q554 D558 L559 K560 V614I553-Q556 PolarHBondContact O-N 3.17Å; Q554-Q556 VanDerWaalsContact C-N 3.33Å; Q554-Q556 PolarHBondContact O-N 3.42Å; Q556-D558 VanDerWaalsContact C-N 3.33Å; Q556-D558 PolarHBondContact O-N 3.35Å; Q556-L559 PolarHBondContact O-N 3.07Å; Q556-K560 VanDerWaalsContact O-CB 3.3Å; Q556-K560 WeakPolarHBondContact O-CB 3.25Å; Q556-K560 PolarHBondContact O-N 3.05Å; Q556-V614 HydrophobicContact CB-CG2 4.39Å
557C80.3Confident75.7Confident36 Ų3661.2 Ų61.224%0.24330%0.299CS..Hα-helixtrans-62.5-39.7173.5-65.90000112.5I553 Q554 A561I553-C557 PolarHBondContact O-N 2.89Å; I553-C557 VanDerWaalsContact O-N 3.08Å; I553-C557 PolarHBondContact O-SG 3.23Å; I553-C557 VanDerWaalsContact O-SG 3.41Å; Q554-C557 PolarHBondContact O-N 3.26Å; C557-A561 PolarHBondContact O-N 3.1Å
558D87.4Confident77.5Confident2 Ų256.9 Ų56.91%0.01128%0.279CS..Hα-helixtrans-66.3-46.7178.5-66.3-7.8000111.1V500 K504 I543 Q554 H555 Q556 A561 L562V500-D558 HydrophobicContact CG1-CB 3.77Å; V500-D558 HydrophobicContact CG2-CB 4.26Å; K504-D558 WeakPolarHBondContact CE-OD1 3.28Å; K504-D558 IonicContact NZ-OD1 2.79Å; K504-D558 PolarHBondContact NZ-OD1 3.07Å; I543-D558 HydrophobicContact CD1-CB 3.77Å; Q554-D558 PolarHBondContact NE2-OD1 2.85Å; Q554-D558 WeakPolarHBondContact O-CB 3.43Å; Q554-D558 PolarHBondContact O-N 3.09Å; H555-D558 PolarHBondContact O-N 3.29Å; Q556-D558 VanDerWaalsContact C-N 3.33Å; Q556-D558 PolarHBondContact O-N 3.35Å; D558-A561 PolarHBondContact O-N 3.34Å; D558-L562 WeakPolarHBondContact O-CG 3.34Å; D558-L562 PolarHBondContact O-N 3.39Å; D558-L562 VanDerWaalsContact O-N 3.15Å
559L86.6Confident79.4Confident21 Ų2152.9 Ų52.911%0.1126%0.257CS..Hα-helixtrans-62.3-42.7175.7179.854.8000111.7I540 I543 H555 Q556 A561 L562 L563 F616I540-L559 HydrophobicContact CG1-CD1 4.34Å; I540-L559 HydrophobicContact CG2-CD1 3.88Å; I543-L559 HydrophobicContact CD1-CB 4.19Å; I543-L559 HydrophobicContact CG2-CB 4.39Å; I543-L559 HydrophobicContact CG2-CD1 3.84Å; H555-L559 WeakPolarHBondContact O-CB 3.48Å; H555-L559 PolarHBondContact O-N 2.79Å; Q556-L559 PolarHBondContact O-N 3.07Å; L559-A561 VanDerWaalsContact C-N 3.35Å; L559-A561 PolarHBondContact O-N 2.95Å; L559-L562 PolarHBondContact O-N 3.37Å; L559-L563 HydrophobicContact CD1-CD1 3.94Å; L559-L563 HydrophobicContact CD1-CG 4.12Å; L559-L563 HydrophobicContact CG-CD1 3.95Å; L559-L563 WeakPolarHBondContact O-CG 3.28Å; L559-L563 PolarHBondContact O-N 2.9Å; L559-F616 HydrophobicContact CD2-CE1 3.81Å; L559-F616 HydrophobicContact CD2-CZ 3.64Å; L559-F616 HydrophobicContact CG-CE1 4.26Å; L559-F616 HydrophobicContact CG-CZ 4.39Å
560K85.6Confident81.6Confident72 Ų7249.5 Ų49.531%0.31323%0.232SC..Hα-helixtrans-57.8-46.9175.6-170.2178.4179.6174.70111.4Q556 L562 L563 E564 P611 V614Q556-K560 VanDerWaalsContact O-CB 3.3Å; Q556-K560 WeakPolarHBondContact O-CB 3.25Å; Q556-K560 PolarHBondContact O-N 3.05Å; K560-L562 VanDerWaalsContact C-N 3.34Å; K560-L562 PolarHBondContact O-N 2.93Å; K560-L563 PolarHBondContact O-N 2.98Å; K560-E564 HydrophobicContact CG-CG 4.48Å; K560-E564 WeakPolarHBondContact O-CG 3.49Å; K560-E564 PolarHBondContact O-N 2.97Å; K560-P611 PolarHBondContact NZ-O 3.31Å; K560-V614 HydrophobicContact CB-CG2 3.76Å; K560-V614 HydrophobicContact CD-CG2 4.2Å; K560-V614 HydrophobicContact CG-CG2 4.14Å
561A91.1Very high83.7Confident8 Ų845 Ų457%0.06622%0.217CC..Hα-helixtrans-60.9-43.6179.500000111.7A503 K504 C557 D558 L559 E564 V565A503-A561 HydrophobicContact CB-CB 4.31Å; K504-A561 HydrophobicContact CG-CB 3.88Å; C557-A561 PolarHBondContact O-N 3.1Å; D558-A561 PolarHBondContact O-N 3.34Å; L559-A561 VanDerWaalsContact C-N 3.35Å; L559-A561 PolarHBondContact O-N 2.95Å; A561-E564 PolarHBondContact O-N 3.09Å; A561-V565 WeakPolarHBondContact O-CG2 3.18Å; A561-V565 PolarHBondContact O-N 3.11Å
562L93.3Very high85.5Confident0 Ų043.1 Ų43.10%020%0.204CC..Hα-helixtrans-62.1-44.7176.9-68.7167.7000112.1T499 V500 A503 L536 A539 I540 I543 D558 L559 K560 V565 M566T499-L562 HydrophobicContact CG2-CD2 4.09Å; V500-L562 HydrophobicContact CG2-CD1 3.97Å; V500-L562 HydrophobicContact CG2-CD2 4.38Å; V500-L562 HydrophobicContact CG2-CG 4.28Å; A503-L562 HydrophobicContact CB-CD2 3.85Å; A503-L562 HydrophobicContact CB-CG 4.4Å; L536-L562 HydrophobicContact CD2-CD2 3.92Å; A539-L562 HydrophobicContact CB-CD1 3.89Å; A539-L562 HydrophobicContact CB-CD2 3.95Å; I540-L562 HydrophobicContact CD1-CB 4.14Å; I540-L562 HydrophobicContact CG1-CB 3.68Å; I540-L562 HydrophobicContact CG1-CD1 4.05Å; I540-L562 HydrophobicContact CG1-CG 4.43Å; I543-L562 HydrophobicContact CG2-CD1 4.47Å; D558-L562 WeakPolarHBondContact O-CG 3.34Å; D558-L562 PolarHBondContact O-N 3.39Å; D558-L562 VanDerWaalsContact O-N 3.15Å; L559-L562 PolarHBondContact O-N 3.37Å; K560-L562 VanDerWaalsContact C-N 3.34Å; K560-L562 PolarHBondContact O-N 2.93Å; L562-V565 PolarHBondContact O-N 3.39Å; L562-M566 WeakPolarHBondContact O-CB 3.3Å; L562-M566 PolarHBondContact O-N 3.29Å
563L91.4Very high86.9Confident0 Ų036 Ų360%017%0.174CC..Hα-helixtrans-68.1-36.9179.7-72.7170.7000112.9I540 L559 K560 M566 K567 L586 F616 F619I540-L563 HydrophobicContact CD1-CD2 3.93Å; I540-L563 HydrophobicContact CD1-CG 4.44Å; L559-L563 HydrophobicContact CD1-CD1 3.94Å; L559-L563 HydrophobicContact CD1-CG 4.12Å; L559-L563 HydrophobicContact CG-CD1 3.95Å; L559-L563 WeakPolarHBondContact O-CG 3.28Å; L559-L563 PolarHBondContact O-N 2.9Å; K560-L563 PolarHBondContact O-N 2.98Å; L563-M566 WeakPolarHBondContact O-CB 3.33Å; L563-M566 PolarHBondContact O-N 3.43Å; L563-K567 WeakPolarHBondContact O-CB 3.42Å; L563-K567 PolarHBondContact O-N 3.1Å; L563-L586 HydrophobicContact CD2-CD1 4.37Å; L563-F616 HydrophobicContact CD1-CD1 3.83Å; L563-F616 HydrophobicContact CD1-CE1 3.56Å; L563-F619 VanDerWaalsContact C-CE1 3.46Å; L563-F619 HydrophobicContact CB-CD1 3.69Å; L563-F619 HydrophobicContact CB-CD2 4.16Å; L563-F619 HydrophobicContact CB-CE1 3.72Å; L563-F619 HydrophobicContact CB-CE2 4.18Å; L563-F619 HydrophobicContact CB-CG 3.91Å; L563-F619 HydrophobicContact CB-CZ 3.96Å; L563-F619 HydrophobicContact CD1-CD2 4.09Å; L563-F619 HydrophobicContact CD1-CE2 4.45Å; L563-F619 HydrophobicContact CD1-CG 4.32Å; L563-F619 HydrophobicContact CD2-CB 4.4Å; L563-F619 HydrophobicContact CD2-CG 4.49Å; L563-F619 HydrophobicContact CG-CG 4.48Å; L563-F619 WeakPolarHBondContact O-CD1 3.28Å; L563-F619 WeakPolarHBondContact O-CE1 3.14Å
564E91.9Very high88Confident47 Ų4738.1 Ų38.122%0.2218%0.181CC..Hα-helixtrans-64.4-42.9174.9-75.4-64173.100112K560 A561 K567 H568 F619K560-E564 HydrophobicContact CG-CG 4.48Å; K560-E564 WeakPolarHBondContact O-CG 3.49Å; K560-E564 PolarHBondContact O-N 2.97Å; A561-E564 PolarHBondContact O-N 3.09Å; E564-K567 WeakPolarHBondContact O-CB 3.42Å; E564-K567 PolarHBondContact O-N 3.12Å; E564-H568 PolarHBondContact O-CD2 3.27Å; E564-H568 PolarHBondContact O-N 3.04Å; E564-F619 HydrophobicContact CG-CE1 4.11Å; E564-F619 HydrophobicContact CG-CZ 3.93Å; E564-F619 VanDerWaalsContact OE1-CZ 3.27Å; E564-F619 WeakPolarHBondContact OE1-CZ 3.04Å
565V95.3Very high88.8Confident0 Ų038.3 Ų38.30%018%0.182CC..Hα-helixtrans-63.9-44.3173.7-178.80000110.6A503 I506 W521 L536 A561 L562 K567 H568 V569A503-V565 HydrophobicContact CB-CG2 3.93Å; I506-V565 HydrophobicContact CB-CG2 3.81Å; I506-V565 HydrophobicContact CD1-CG1 3.81Å; I506-V565 HydrophobicContact CD1-CG2 4.15Å; I506-V565 HydrophobicContact CG2-CG2 3.82Å; W521-V565 HydrophobicContact CH2-CG1 4.15Å; W521-V565 HydrophobicContact CZ2-CG1 4.49Å; L536-V565 HydrophobicContact CD1-CB 4.29Å; L536-V565 HydrophobicContact CD1-CG1 3.81Å; L536-V565 HydrophobicContact CD2-CB 4.31Å; L536-V565 HydrophobicContact CD2-CG1 4.21Å; A561-V565 WeakPolarHBondContact O-CG2 3.18Å; A561-V565 PolarHBondContact O-N 3.11Å; L562-V565 PolarHBondContact O-N 3.39Å; V565-K567 VanDerWaalsContact C-N 3.26Å; V565-K567 PolarHBondContact O-N 2.9Å; V565-H568 PolarHBondContact O-N 3.47Å; V565-H568 VanDerWaalsContact O-N 3.07Å; V565-V569 HydrophobicContact CG1-CG2 4.37Å; V565-V569 WeakPolarHBondContact O-CG2 3.1Å; V565-V569 PolarHBondContact O-N 2.79Å
566M94.6Very high89.3Confident0 Ų036.9 Ų36.90%018%0.176CC..Hα-helixtrans-56.5-41.2176.4-171.670.889.300111.8V533 L536 K537 I540 L562 L563 H568 V569 H570 F581 I583 F621V533-M566 HydrophobicContact CG1-CE 4.23Å; V533-M566 HydrophobicContact CG1-SD 4.03Å; V533-M566 HydrophobicContact CG2-SD 4.45Å; L536-M566 HydrophobicContact CB-CE 3.53Å; L536-M566 HydrophobicContact CB-SD 4.22Å; L536-M566 HydrophobicContact CD1-CB 4.31Å; L536-M566 HydrophobicContact CD1-SD 4.13Å; K537-M566 HydrophobicContact CB-CE 4.02Å; I540-M566 HydrophobicContact CD1-CE 4Å; L562-M566 WeakPolarHBondContact O-CB 3.3Å; L562-M566 PolarHBondContact O-N 3.29Å; L563-M566 WeakPolarHBondContact O-CB 3.33Å; L563-M566 PolarHBondContact O-N 3.43Å; M566-H568 PolarHBondContact O-N 3.14Å; M566-V569 PolarHBondContact O-N 3.48Å; M566-H570 VanDerWaalsContact O-CB 3.31Å; M566-H570 WeakPolarHBondContact O-CB 3.43Å; M566-H570 PolarHBondContact O-N 2.71Å; M566-F581 HydrophobicContact CG-CD1 4.39Å; M566-F581 HydrophobicContact SD-CD1 3.91Å; M566-F581 HydrophobicContact SD-CE1 4.35Å; M566-I583 HydrophobicContact CE-CD1 4.36Å; M566-F621 HydrophobicContact CB-CZ 4.26Å; M566-F621 HydrophobicContact CG-CE2 3.68Å; M566-F621 HydrophobicContact CG-CZ 3.87Å
567K91.9Very high89.9Confident36 Ų3637.1 Ų37.116%0.15718%0.184CC..Hα-helixtrans-64-38.7176.4-179.8178.9-178.7170.90112.6L563 E564 V565 K571 D618 F619 F621L563-K567 WeakPolarHBondContact O-CB 3.42Å; L563-K567 PolarHBondContact O-N 3.1Å; E564-K567 WeakPolarHBondContact O-CB 3.42Å; E564-K567 PolarHBondContact O-N 3.12Å; V565-K567 VanDerWaalsContact C-N 3.26Å; V565-K567 PolarHBondContact O-N 2.9Å; K567-K571 HydrophobicContact CG-CD 4.44Å; K567-K571 WeakPolarHBondContact O-CB 3.3Å; K567-K571 VanDerWaalsContact O-CG 3.28Å; K567-K571 WeakPolarHBondContact O-CG 3.38Å; K567-K571 PolarHBondContact O-N 3.14Å; K567-D618 PolarHBondContact NZ-O 2.8Å; K567-F619 HydrophobicContact CB-CD1 4.13Å; K567-F619 HydrophobicContact CB-CE1 4.18Å; K567-F619 HydrophobicContact CD-CD1 4.03Å; K567-F619 HydrophobicContact CD-CE1 3.8Å; K567-F621 HydrophobicContact CB-CE1 3.84Å; K567-F621 HydrophobicContact CB-CZ 4.01Å; K567-F621 HydrophobicContact CG-CE1 4.16Å
568H93.5Very high90Very high38 Ų3838.7 Ų38.718%0.17619%0.188CC..Hα-helixtrans-68.5-39.3175.7-73-61.3000112.6R518 W521 E564 V565 M566 A572R518-H568 HydrophobicContact CG-CB 4.39Å; W521-H568 HydrophobicContact CE3-CB 4.47Å; W521-H568 HydrophobicContact CZ3-CB 3.72Å; E564-H568 PolarHBondContact O-CD2 3.27Å; E564-H568 PolarHBondContact O-N 3.04Å; V565-H568 PolarHBondContact O-N 3.47Å; V565-H568 VanDerWaalsContact O-N 3.07Å; M566-H568 PolarHBondContact O-N 3.14Å; H568-A572 WeakPolarHBondContact O-CB 3.34Å; H568-A572 PolarHBondContact O-N 3.15Å; H568-A572 VanDerWaalsContact O-N 3.16Å
569V94.3Very high89.8Confident0 Ų042.7 Ų42.70%022%0.216CC..Hα-helixtrans-65.1-46.6174.6177.30000110.4W521 L529 V532 V533 L536 V565 M566 K571 A572 N573 F581W521-V569 HydrophobicContact CD2-CG2 3.96Å; W521-V569 HydrophobicContact CE3-CG2 3.99Å; W521-V569 HydrophobicContact CH2-CG2 4.1Å; W521-V569 HydrophobicContact CZ2-CG2 4.04Å; W521-V569 HydrophobicContact CZ3-CG2 4.09Å; L529-V569 HydrophobicContact CD1-CG1 3.72Å; L529-V569 HydrophobicContact CG-CG1 4.43Å; V532-V569 HydrophobicContact CG1-CG1 4.5Å; V532-V569 HydrophobicContact CG1-CG2 3.87Å; V533-V569 HydrophobicContact CG2-CG1 3.82Å; L536-V569 HydrophobicContact CD1-CG2 4.38Å; V565-V569 HydrophobicContact CG1-CG2 4.37Å; V565-V569 WeakPolarHBondContact O-CG2 3.1Å; V565-V569 PolarHBondContact O-N 2.79Å; M566-V569 PolarHBondContact O-N 3.48Å; V569-K571 PolarHBondContact O-N 2.99Å; V569-A572 CarbonylContact O-C 3.58Å; V569-A572 PolarHBondContact O-N 3.17Å; V569-A572 VanDerWaalsContact O-N 3.09Å; V569-N573 PolarHBondContact O-N 3.31Å; V569-F581 HydrophobicContact CG1-CE1 4.23Å
570H92.4Very high89.9Confident34 Ų3443 Ų4316%0.15722%0.218CC..Hα-helixtrans-57-47.5175.1176.1-94.8000112M566 A572 N573 E578 F581 F621M566-H570 VanDerWaalsContact O-CB 3.31Å; M566-H570 WeakPolarHBondContact O-CB 3.43Å; M566-H570 PolarHBondContact O-N 2.71Å; H570-A572 PolarHBondContact O-N 2.72Å; H570-N573 VanDerWaalsContact O-CB 3.23Å; H570-N573 WeakPolarHBondContact O-CB 3.24Å; H570-N573 PolarHBondContact O-N 2.8Å; H570-E578 IonicContact CD2-OE2 3.38Å; H570-E578 IonicContact CE1-OE2 3.5Å; H570-E578 IonicContact NE2-OE1 2.74Å; H570-E578 PolarHBondContact NE2-OE1 3.2Å; H570-E578 IonicContact NE2-OE2 3.4Å; H570-E578 PolarHBondContact NE2-OE2 3.16Å; H570-F581 HydrophobicContact CB-CD1 3.92Å; H570-F581 HydrophobicContact CB-CE1 3.85Å; H570-F581 HydrophobicContact CB-CZ 4.44Å; H570-F581 AromaticContact CD2-CD2 3.85Å; H570-F581 AromaticContact CD2-CG 3.78Å; H570-F621 HydrophobicContact CB-CD2 3.99Å; H570-F621 HydrophobicContact CB-CE2 3.81Å; H570-F621 HydrophobicContact CB-CZ 4.23Å; H570-F621 AromaticContact CD2-CD2 3.69Å; H570-F621 AromaticContact CG-CD2 3.66Å; H570-F621 AromaticContact CG-CG 3.97Å
571K90.3Very high90.1Very high112 Ų11239.5 Ų39.549%0.48720%0.203SC..Hα-helixtrans-66.3-19.7176.9-75.3-179.6178.4-172.80114.7K567 V569K567-K571 HydrophobicContact CG-CD 4.44Å; K567-K571 WeakPolarHBondContact O-CB 3.3Å; K567-K571 VanDerWaalsContact O-CG 3.28Å; K567-K571 WeakPolarHBondContact O-CG 3.38Å; K567-K571 PolarHBondContact O-N 3.14Å; V569-K571 PolarHBondContact O-N 2.99Å
572A90.4Very high89.9Confident4 Ų440 Ų403%0.03321%0.205CC..Hα-helixtrans-94.2-7.8175.300000112R518 W521 A522 H568 V569 H570 H574R518-A572 WeakPolarHBondContact O-CB 3.4Å; W521-A572 HydrophobicContact CB-CB 3.83Å; A522-A572 VanDerWaalsContact CA-O 3.23Å; A522-A572 WeakPolarHBondContact CA-O 3.37Å; A522-A572 HydrophobicContact CB-CB 4.34Å; A522-A572 WeakPolarHBondContact CB-O 3.33Å; H568-A572 WeakPolarHBondContact O-CB 3.34Å; H568-A572 PolarHBondContact O-N 3.15Å; H568-A572 VanDerWaalsContact O-N 3.16Å; V569-A572 CarbonylContact O-C 3.58Å; V569-A572 PolarHBondContact O-N 3.17Å; V569-A572 VanDerWaalsContact O-N 3.09Å; H570-A572 PolarHBondContact O-N 2.72Å; A572-H574 PolarHBondContact O-CD2 3.48Å; A572-H574 PolarHBondContact O-N 2.98Å
573N90.5Very high89.4Confident18 Ų1840 Ų4010%0.09621%0.205CC..  trans-74.1127.2-174.4176.749.3000111.8L529 V569 H570 Q575 L576 F581L529-N573 HydrophobicContact CD2-CB 4.25Å; L529-N573 VanDerWaalsContact CD2-OD1 3.28Å; L529-N573 WeakPolarHBondContact CD2-OD1 3.49Å; V569-N573 PolarHBondContact O-N 3.31Å; H570-N573 VanDerWaalsContact O-CB 3.23Å; H570-N573 WeakPolarHBondContact O-CB 3.24Å; H570-N573 PolarHBondContact O-N 2.8Å; N573-Q575 PolarHBondContact OD1-N 3.35Å; N573-L576 PolarHBondContact ND2-O 3.48Å; N573-L576 WeakPolarHBondContact OD1-CB 3.36Å; N573-L576 PolarHBondContact OD1-N 3.49Å; N573-F581 HydrophobicContact CB-CE2 4.24Å; N573-F581 HydrophobicContact CB-CZ 3.84Å; N573-F581 WeakPolarHBondContact ND2-CE2 3.22Å
574H85.3Confident88.9Confident154 Ų15444.8 Ų44.871%0.71323%0.228SC*.SBendtrans-127-2.3169.6-64.2-65.2000112.8A572A572-H574 PolarHBondContact O-CD2 3.48Å; A572-H574 PolarHBondContact O-N 2.98Å
575Q86Confident88.3Confident96 Ų9645.9 Ų45.945%0.44923%0.233SC..SBendtrans-118.1-33.8-169.1-62.5-168.18.200113.8L524 A526 N573L524-Q575 PolarHBondContact O-NE2 3.05Å; L524-Q575 PolarHBondContact O-OE1 2.95Å; L524-Q575 VanDerWaalsContact O-OE1 3.12Å; A526-Q575 HydrophobicContact CB-CB 4.22Å; N573-Q575 PolarHBondContact OD1-N 3.35Å
576L89.3Confident87.4Confident22 Ų2246 Ų4612%0.11523%0.233CC..SBendtrans-90.1146.2-177-61174.7000111.5A526 L529 D530 V533 N573 T580 F581A526-L576 HydrophobicContact CB-CD2 4.06Å; L529-L576 HydrophobicContact CB-CD1 4.03Å; L529-L576 HydrophobicContact CD2-CD1 3.95Å; L529-L576 HydrophobicContact CD2-CG 4.12Å; L529-L576 HydrophobicContact CG-CD1 3.79Å; L529-L576 HydrophobicContact CG-CG 4.43Å; D530-L576 HydrophobicContact CB-CD1 4.16Å; D530-L576 HydrophobicContact CB-CD2 4.07Å; V533-L576 HydrophobicContact CG2-CD1 4.14Å; N573-L576 PolarHBondContact ND2-O 3.48Å; N573-L576 WeakPolarHBondContact OD1-CB 3.36Å; N573-L576 PolarHBondContact OD1-N 3.49Å; L576-T580 HydrophobicContact CD1-CG2 4.44Å; L576-F581 HydrophobicContact CB-CE2 4.21Å; L576-F581 HydrophobicContact CD1-CZ 4.45Å
577P87.5Confident86.4Confident79 Ų7946.9 Ų46.951%0.51324%0.24SC..  trans-60.7147.4169-22.133.2000112.3S579 T580P577-S579 PolarHBondContact O-N 3.44Å; P577-T580 VanDerWaalsContact O-CB 3.28Å; P577-T580 WeakPolarHBondContact O-CB 3.49Å; P577-T580 PolarHBondContact O-N 2.97Å; P577-T580 VanDerWaalsContact O-N 3.09Å; P577-T580 PolarHBondContact O-OG1 3.07Å; P577-T580 VanDerWaalsContact O-OG1 3.1Å
578E82Confident85.3Confident69 Ų6953 Ų5332%0.32227%0.268SS..G310 helixtrans-57.5-34176.2-72.3-69.4142.700112.7H570 T580 F581 Q874H570-E578 IonicContact CD2-OE2 3.38Å; H570-E578 IonicContact CE1-OE2 3.5Å; H570-E578 IonicContact NE2-OE1 2.74Å; H570-E578 PolarHBondContact NE2-OE1 3.2Å; H570-E578 IonicContact NE2-OE2 3.4Å; H570-E578 PolarHBondContact NE2-OE2 3.16Å; E578-T580 PolarHBondContact O-N 3.01Å; E578-T580 VanDerWaalsContact O-N 3.12Å; E578-F581 PolarHBondContact O-N 3.23Å; E578-F581 VanDerWaalsContact O-N 3.11Å; E578-Q874 VanDerWaalsContact CD-NE2 3.35Å; E578-Q874 HydrophobicContact CG-CG 4.41Å; E578-Q874 PolarHBondContact OE2-NE2 3.45Å
579S83.3Confident84Confident87 Ų8754.8 Ų54.861%0.60828%0.278SS*.G310 helixtrans-60.2-22.9178.256.40000113.7P577 F581 V582P577-S579 PolarHBondContact O-N 3.44Å; S579-F581 PolarHBondContact O-N 3.03Å; S579-V582 PolarHBondContact O-N 3.22Å
580T87.8Confident82.9Confident26 Ų2656.2 Ų56.216%0.1629%0.285CS..G310 helixtrans-63.4-30.8177.6-53.10000111.9D530 V533 L576 P577 E578D530-T580 WeakPolarHBondContact OD1-CG2 3.49Å; V533-T580 HydrophobicContact CG1-CG2 4.05Å; L576-T580 HydrophobicContact CD1-CG2 4.44Å; P577-T580 VanDerWaalsContact O-CB 3.28Å; P577-T580 WeakPolarHBondContact O-CB 3.49Å; P577-T580 PolarHBondContact O-N 2.97Å; P577-T580 VanDerWaalsContact O-N 3.09Å; P577-T580 PolarHBondContact O-OG1 3.07Å; P577-T580 VanDerWaalsContact O-OG1 3.1Å; E578-T580 PolarHBondContact O-N 3.01Å; E578-T580 VanDerWaalsContact O-N 3.12Å
581F89.3Confident82Confident0 Ų058.8 Ų58.80%030%0.3CS..G310 helixtrans-85.2-12-176.6-63.3-92.4000113.8V533 M566 V569 H570 N573 L576 E578 S579 F621 S622V533-F581 HydrophobicContact CG1-CD1 4.16Å; V533-F581 HydrophobicContact CG1-CE1 4.29Å; V533-F581 HydrophobicContact CG2-CD1 4.17Å; V533-F581 HydrophobicContact CG2-CE1 3.48Å; V533-F581 VanDerWaalsContact CG2-CE1 3.48Å; V533-F581 HydrophobicContact CG2-CZ 3.83Å; M566-F581 HydrophobicContact CG-CD1 4.39Å; M566-F581 HydrophobicContact SD-CD1 3.91Å; M566-F581 HydrophobicContact SD-CE1 4.35Å; V569-F581 HydrophobicContact CG1-CE1 4.23Å; H570-F581 HydrophobicContact CB-CD1 3.92Å; H570-F581 HydrophobicContact CB-CE1 3.85Å; H570-F581 HydrophobicContact CB-CZ 4.44Å; H570-F581 AromaticContact CD2-CD2 3.85Å; H570-F581 AromaticContact CD2-CG 3.78Å; N573-F581 HydrophobicContact CB-CE2 4.24Å; N573-F581 HydrophobicContact CB-CZ 3.84Å; N573-F581 WeakPolarHBondContact ND2-CE2 3.22Å; L576-F581 HydrophobicContact CB-CE2 4.21Å; L576-F581 HydrophobicContact CD1-CZ 4.45Å; E578-F581 PolarHBondContact O-N 3.23Å; E578-F581 VanDerWaalsContact O-N 3.11Å; S579-F581 PolarHBondContact O-N 3.03Å; F581-F621 HydrophobicContact CB-CD2 3.93Å; F581-F621 HydrophobicContact CB-CE2 4.25Å; F581-F621 HydrophobicContact CD1-CE2 4.31Å; F581-F621 HydrophobicContact CG-CD2 4.49Å; F581-S622 WeakPolarHBondContact O-CA 3.28Å
582V86.8Confident81.2Confident17 Ų1754.5 Ų54.510%0.10328%0.284CS..  trans-71.3133.7-179.4177.80000110.8K537 S579 D624K537-V582 VanDerWaalsContact CE-O 3.25Å; K537-V582 WeakPolarHBondContact CE-O 3.38Å; K537-V582 PolarHBondContact NZ-O 3.09Å; S579-V582 PolarHBondContact O-N 3.22Å; V582-D624 HydrophobicContact CG1-CB 3.89Å
583I84.7Confident80.2Confident0 Ų057.6 Ų57.60%030%0.3CS..  trans-123.997.3-179.7-47.5-177.5000108.8K537 I540 M566 E585 L586 S622K537-I583 HydrophobicContact CB-CD1 4.38Å; K537-I583 HydrophobicContact CD-CG1 4.19Å; K537-I583 HydrophobicContact CG-CD1 4.13Å; K537-I583 HydrophobicContact CG-CG1 3.96Å; I540-I583 HydrophobicContact CB-CD1 3.96Å; I540-I583 HydrophobicContact CD1-CD1 3.74Å; I540-I583 HydrophobicContact CG1-CD1 4.47Å; I540-I583 HydrophobicContact CG2-CD1 3.69Å; I540-I583 HydrophobicContact CG2-CG2 4.45Å; M566-I583 HydrophobicContact CE-CD1 4.36Å; I583-E585 VanDerWaalsContact C-N 3.27Å; I583-E585 WeakPolarHBondContact CG2-OE2 3.35Å; I583-E585 PolarHBondContact O-N 2.78Å; I583-L586 HydrophobicContact CB-CD1 3.89Å; I583-L586 HydrophobicContact CB-CG 4.04Å; I583-L586 HydrophobicContact CD1-CD1 4.08Å; I583-L586 HydrophobicContact CG1-CD1 4.39Å; I583-L586 HydrophobicContact CG2-CD1 4.27Å; I583-L586 HydrophobicContact CG2-CG 3.95Å; I583-L586 WeakPolarHBondContact O-CB 3.26Å; I583-L586 PolarHBondContact O-N 3.49Å; I583-S622 PolarHBondContact N-O 3.45Å
584H80.6Confident79.3Confident102 Ų10258.9 Ų58.947%0.47231%0.313SS..Hα-helixtrans-62-32.3-174.4-64.7-68.5000113.3L586 S587 H588 D624H584-L586 PolarHBondContact O-N 2.72Å; H584-S587 WeakPolarHBondContact O-CB 3.31Å; H584-S587 PolarHBondContact O-N 2.71Å; H584-H588 PolarHBondContact O-CD2 2.77Å; H584-D624 IonicContact ND1-OD2 3.46Å; H584-D624 PolarHBondContact ND1-OD2 3.17Å
585E79.7Confident78.6Confident69 Ų6951.9 Ų51.932%0.32228%0.28SS..Hα-helixtrans-66.2-23.7-179.5-59.786172.600112.9T541 I583 M589T541-E585 HydrophobicContact CG2-CB 4.17Å; T541-E585 HydrophobicContact CG2-CG 3.74Å; T541-E585 PolarHBondContact OG1-OE2 3.32Å; I583-E585 VanDerWaalsContact C-N 3.27Å; I583-E585 WeakPolarHBondContact CG2-OE2 3.35Å; I583-E585 PolarHBondContact O-N 2.78Å; E585-M589 WeakPolarHBondContact O-CG 3.25Å
586L75.9Confident78Confident2 Ų247.3 Ų47.31%0.0126%0.259CS..Hα-helixtrans-67.5-38174.8-72.2178.3000112.1I540 S544 L563 I583 H584 H588 M589 L590 F623I540-L586 HydrophobicContact CG2-CD1 4.02Å; I540-L586 HydrophobicContact CG2-CD2 3.81Å; I540-L586 HydrophobicContact CG2-CG 4.06Å; S544-L586 VanDerWaalsContact OG-CD2 3.24Å; S544-L586 WeakPolarHBondContact OG-CD2 3.33Å; L563-L586 HydrophobicContact CD2-CD1 4.37Å; I583-L586 HydrophobicContact CB-CD1 3.89Å; I583-L586 HydrophobicContact CB-CG 4.04Å; I583-L586 HydrophobicContact CD1-CD1 4.08Å; I583-L586 HydrophobicContact CG1-CD1 4.39Å; I583-L586 HydrophobicContact CG2-CD1 4.27Å; I583-L586 HydrophobicContact CG2-CG 3.95Å; I583-L586 WeakPolarHBondContact O-CB 3.26Å; I583-L586 PolarHBondContact O-N 3.49Å; H584-L586 PolarHBondContact O-N 2.72Å; L586-H588 PolarHBondContact O-N 3.27Å; L586-M589 PolarHBondContact O-N 2.82Å; L586-M589 VanDerWaalsContact O-N 3.12Å; L586-L590 PolarHBondContact O-N 3.33Å; L586-F623 HydrophobicContact CB-CD1 4.26Å; L586-F623 HydrophobicContact CB-CE1 3.69Å; L586-F623 HydrophobicContact CB-CZ 4.18Å; L586-F623 HydrophobicContact CD1-CZ 4.33Å
587S73.1Confident77Confident20 Ų2049.4 Ų49.414%0.1428%0.275CS..Hα-helixtrans-63.3-27.1-177.2-62.60000112.9H584 D624 F627H584-S587 WeakPolarHBondContact O-CB 3.31Å; H584-S587 PolarHBondContact O-N 2.71Å; S587-D624 WeakPolarHBondContact CB-OD1 3.35Å; S587-D624 PolarHBondContact OG-OD1 3.33Å; S587-F627 WeakPolarHBondContact OG-CB 3.21Å
588H68.4Low76.3Confident164 Ų16447.7 Ų47.776%0.75926%0.259SS*.Hα-helixtrans-82.8-22177.7-66.1-70.4000113.7H584 L586H584-H588 PolarHBondContact O-CD2 2.77Å; L586-H588 PolarHBondContact O-N 3.27Å
589M66.1Low75.8Confident76 Ų7645.3 Ų45.337%0.37425%0.248SC..Hα-helixtrans-88.7-30.3-174.3-73.9-62.1-5900113.5S544 H547 E585 L586S544-M589 VanDerWaalsContact O-CE 3.23Å; S544-M589 WeakPolarHBondContact O-CE 3.28Å; H547-M589 HydrophobicContact CB-CE 4.24Å; E585-M589 WeakPolarHBondContact O-CG 3.25Å; L586-M589 PolarHBondContact O-N 2.82Å; L586-M589 VanDerWaalsContact O-N 3.12Å
590L71.1Confident75.1Confident29 Ų2942.5 Ų42.515%0.15223%0.226CC..  trans-92.8133.2-175.3-63.6-176.7000111.1L586 P592 E595 F616 F623 F627L586-L590 PolarHBondContact O-N 3.33Å; L590-P592 VanDerWaalsContact O-CD 3.32Å; L590-P592 WeakPolarHBondContact O-CD 3.38Å; L590-E595 HydrophobicContact CB-CG 4.47Å; L590-E595 HydrophobicContact CD1-CG 4.34Å; L590-F616 HydrophobicContact CD1-CB 3.66Å; L590-F616 HydrophobicContact CD1-CD1 3.75Å; L590-F616 HydrophobicContact CD1-CD2 3.77Å; L590-F616 HydrophobicContact CD1-CE1 4.27Å; L590-F616 HydrophobicContact CD1-CE2 4.3Å; L590-F616 HydrophobicContact CD1-CG 3.45Å; L590-F616 VanDerWaalsContact CD1-CG 3.45Å; L590-F616 HydrophobicContact CD2-CD2 3.86Å; L590-F616 HydrophobicContact CD2-CE2 3.69Å; L590-F616 HydrophobicContact CD2-CG 4.34Å; L590-F616 HydrophobicContact CD2-CZ 4.03Å; L590-F623 HydrophobicContact CD1-CE1 3.59Å; L590-F623 HydrophobicContact CD1-CZ 3.38Å; L590-F623 HydrophobicContact CG-CE1 4.49Å; L590-F627 HydrophobicContact CB-CE2 3.93Å; L590-F627 HydrophobicContact CB-CZ 3.86Å; L590-F627 HydrophobicContact CD1-CZ 4.18Å
591N73.5Confident74.2Confident89 Ų8945.1 Ų45.148%0.47624%0.239SC..  trans-81.9114.4165.4-177.3-12.6000108.8D593 A594 E595N591-D593 PolarHBondContact O-N 2.98Å; N591-D593 WeakPolarHBondContact OD1-CB 3.38Å; N591-D593 PolarHBondContact OD1-N 3.07Å; N591-A594 HydrophobicContact CB-CB 4.03Å; N591-A594 PolarHBondContact O-N 3.06Å; N591-A594 VanDerWaalsContact O-N 3.09Å; N591-E595 PolarHBondContact O-N 3.29Å
592P73.3Confident73.1Confident22 Ų2252.1 Ų52.114%0.14327%0.265CS..Hα-helixtrans-58.4-32.9-179.8-2334.2000113.3L590 E595 I596 F627 K630 L631 C634L590-P592 VanDerWaalsContact O-CD 3.32Å; L590-P592 WeakPolarHBondContact O-CD 3.38Å; P592-E595 PolarHBondContact O-N 3.49Å; P592-I596 WeakPolarHBondContact O-CG1 3.49Å; P592-I596 PolarHBondContact O-N 3.41Å; P592-F627 HydrophobicContact CG-CD2 4.46Å; P592-F627 HydrophobicContact CG-CE2 3.94Å; P592-F627 HydrophobicContact CG-CZ 4.49Å; P592-K630 HydrophobicContact CG-CB 4.25Å; P592-L631 HydrophobicContact CB-CD1 4.36Å; P592-C634 HydrophobicContact CB-CB 4.33Å
593D70.1Confident72.1Confident69 Ų6956.7 Ų56.737%0.36929%0.285SS..Hα-helixtrans-65.3-41.4176.8-71.4-45.5000111.6N591 I596 C597 C634N591-D593 PolarHBondContact O-N 2.98Å; N591-D593 WeakPolarHBondContact OD1-CB 3.38Å; N591-D593 PolarHBondContact OD1-N 3.07Å; D593-I596 PolarHBondContact O-N 3.35Å; D593-C597 PolarHBondContact O-N 3.24Å; D593-C597 PolarHBondContact O-SG 3.47Å; D593-C634 WeakPolarHBondContact OD1-CB 3.47Å; D593-C634 PolarHBondContact OD1-SG 2.88Å
594A71.3Confident70.9Confident44 Ų4459.5 Ų59.536%0.36430%0.301SS..Hα-helixtrans-66-39.4178.200000111.4N591 C597 K598N591-A594 HydrophobicContact CB-CB 4.03Å; N591-A594 PolarHBondContact O-N 3.06Å; N591-A594 VanDerWaalsContact O-N 3.09Å; A594-C597 WeakPolarHBondContact O-CB 3.28Å; A594-C597 PolarHBondContact O-N 3.1Å; A594-K598 WeakPolarHBondContact O-CG 3.38Å; A594-K598 PolarHBondContact O-N 3.49Å; A594-K598 VanDerWaalsContact O-N 3.09Å
595E71.4Confident69.5Low7 Ų760.2 Ų60.23%0.03332%0.317CS..Hα-helixtrans-66.9-41.6177.6-72.7-55.512700112.8L590 N591 P592 C597 K598 L599 F616 L631L590-E595 HydrophobicContact CB-CG 4.47Å; L590-E595 HydrophobicContact CD1-CG 4.34Å; N591-E595 PolarHBondContact O-N 3.29Å; P592-E595 PolarHBondContact O-N 3.49Å; E595-C597 VanDerWaalsContact C-N 3.33Å; E595-C597 PolarHBondContact O-N 3.1Å; E595-K598 WeakPolarHBondContact O-CB 3.39Å; E595-K598 PolarHBondContact O-N 3.33Å; E595-K598 IonicContact OE1-NZ 3.57Å; E595-K598 PolarHBondContact OE1-NZ 3.14Å; E595-L599 PolarHBondContact O-N 3.36Å; E595-F616 WeakPolarHBondContact OE1-CD2 3.37Å; E595-F616 WeakPolarHBondContact OE2-CD2 3.22Å; E595-F616 PolarHBondContact OE2-N 2.84Å; E595-L631 HydrophobicContact CB-CD1 4.1Å
596I72.3Confident68Low1 Ų166.2 Ų66.21%0.00534%0.343CS..Hα-helixtrans-62.9-40.9174-71.5-60.5000111.2P592 D593 K598 L599 L600 L631 C634 D635 A638 I869P592-I596 WeakPolarHBondContact O-CG1 3.49Å; P592-I596 PolarHBondContact O-N 3.41Å; D593-I596 PolarHBondContact O-N 3.35Å; I596-K598 VanDerWaalsContact C-N 3.31Å; I596-K598 PolarHBondContact O-N 3.19Å; I596-L599 HydrophobicContact CD1-CD1 4.1Å; I596-L599 WeakPolarHBondContact O-CB 3.48Å; I596-L599 PolarHBondContact O-N 3.42Å; I596-L600 HydrophobicContact CG2-CD1 3.91Å; I596-L600 HydrophobicContact CG2-CG 4.27Å; I596-L600 WeakPolarHBondContact O-CG 3.18Å; I596-L600 PolarHBondContact O-N 3.26Å; I596-L631 HydrophobicContact CD1-CD1 3.71Å; I596-L631 HydrophobicContact CD1-CG 3.84Å; I596-L631 HydrophobicContact CG1-CD1 3.72Å; I596-L631 HydrophobicContact CG1-CG 4.28Å; I596-C634 HydrophobicContact CG1-CB 3.95Å; I596-D635 HydrophobicContact CD1-CB 3.8Å; I596-D635 HydrophobicContact CG1-CB 4.4Å; I596-A638 HydrophobicContact CB-CB 4.44Å; I596-A638 HydrophobicContact CG2-CB 3.28Å; I596-I869 HydrophobicContact CD1-CD1 3.85Å
597C69.8Low66.6Low66 Ų6669.6 Ų69.645%0.44636%0.363SS..Hα-helixtrans-58.3-43.4174.1-73.60000111.7D593 A594 E595 L599 L600 L601D593-C597 PolarHBondContact O-N 3.24Å; D593-C597 PolarHBondContact O-SG 3.47Å; A594-C597 WeakPolarHBondContact O-CB 3.28Å; A594-C597 PolarHBondContact O-N 3.1Å; E595-C597 VanDerWaalsContact C-N 3.33Å; E595-C597 PolarHBondContact O-N 3.1Å; C597-L599 PolarHBondContact O-N 3.09Å; C597-L600 PolarHBondContact O-N 2.85Å; C597-L601 WeakPolarHBondContact O-CB 3.3Å; C597-L601 WeakPolarHBondContact O-CG 3.19Å; C597-L601 PolarHBondContact O-N 3.28Å
598K72.1Confident65.3Low43 Ų4374 Ų7419%0.18739%0.391CS..Hα-helixtrans-62.2-41.4175.1-64.8175.7-175.1171.20112.3A594 E595 I596 L601 R602 L613 V614A594-K598 WeakPolarHBondContact O-CG 3.38Å; A594-K598 PolarHBondContact O-N 3.49Å; A594-K598 VanDerWaalsContact O-N 3.09Å; E595-K598 WeakPolarHBondContact O-CB 3.39Å; E595-K598 PolarHBondContact O-N 3.33Å; E595-K598 IonicContact OE1-NZ 3.57Å; E595-K598 PolarHBondContact OE1-NZ 3.14Å; I596-K598 VanDerWaalsContact C-N 3.31Å; I596-K598 PolarHBondContact O-N 3.19Å; K598-L601 PolarHBondContact O-N 2.89Å; K598-R602 PolarHBondContact O-N 3.1Å; K598-L613 HydrophobicContact CB-CD2 4.32Å; K598-L613 HydrophobicContact CD-CD1 4.38Å; K598-L613 HydrophobicContact CD-CD2 4.06Å; K598-L613 HydrophobicContact CD-CG 4.05Å; K598-L613 HydrophobicContact CG-CD2 3.83Å; K598-L613 HydrophobicContact CG-CG 4.39Å; K598-V614 PolarHBondContact NZ-O 3.37Å
599L70.9Confident64.2Low18 Ų1875 Ų759%0.09440%0.397CS..Hα-helixtrans-60.1-49.9175.3-104.6165.4000111.4E595 I596 C597 L601 R602 H603 V615E595-L599 PolarHBondContact O-N 3.36Å; I596-L599 HydrophobicContact CD1-CD1 4.1Å; I596-L599 WeakPolarHBondContact O-CB 3.48Å; I596-L599 PolarHBondContact O-N 3.42Å; C597-L599 PolarHBondContact O-N 3.09Å; L599-L601 VanDerWaalsContact C-N 3.34Å; L599-L601 PolarHBondContact O-N 3Å; L599-R602 WeakPolarHBondContact O-CB 3.21Å; L599-R602 PolarHBondContact O-N 3.43Å; L599-R602 VanDerWaalsContact O-N 3.16Å; L599-H603 PolarHBondContact O-CD2 2.92Å; L599-H603 VanDerWaalsContact O-CD2 3.22Å; L599-H603 PolarHBondContact O-N 2.81Å; L599-V615 HydrophobicContact CG-CG1 4.06Å
600L69.6Low63.4Low28 Ų2877 Ų7715%0.14741%0.408CS..Hα-helixtrans-63.1-40.1178.9-69.7172.3000111.9I596 C597 R602 H603 N604 A638I596-L600 HydrophobicContact CG2-CD1 3.91Å; I596-L600 HydrophobicContact CG2-CG 4.27Å; I596-L600 WeakPolarHBondContact O-CG 3.18Å; I596-L600 PolarHBondContact O-N 3.26Å; C597-L600 PolarHBondContact O-N 2.85Å; L600-R602 VanDerWaalsContact C-N 3.3Å; L600-R602 PolarHBondContact O-N 3.41Å; L600-H603 PolarHBondContact O-N 2.8Å; L600-N604 WeakPolarHBondContact O-CB 3.44Å; L600-N604 PolarHBondContact O-N 3.32Å; L600-A638 HydrophobicContact CD1-CB 3.68Å
601L68.3Low62.3Low81 Ų8180.5 Ų80.542%0.42443%0.432SS..Hα-helixtrans-63.6-32.1174.6-73.7168.8000112.9C597 K598 L599 V607C597-L601 WeakPolarHBondContact O-CB 3.3Å; C597-L601 WeakPolarHBondContact O-CG 3.19Å; C597-L601 PolarHBondContact O-N 3.28Å; K598-L601 PolarHBondContact O-N 2.89Å; L599-L601 VanDerWaalsContact C-N 3.34Å; L599-L601 PolarHBondContact O-N 3Å; L601-V607 HydrophobicContact CD2-CG2 4Å
602R66.4Low61.3Low147 Ų14779.8 Ų79.856%0.55543%0.429SS*.Hα-helixtrans-68.8-36.1174.9-175.8-177.5179.2175.33.1112.4K598 L599 L600 D618K598-R602 PolarHBondContact O-N 3.1Å; L599-R602 WeakPolarHBondContact O-CB 3.21Å; L599-R602 PolarHBondContact O-N 3.43Å; L599-R602 VanDerWaalsContact O-N 3.16Å; L600-R602 VanDerWaalsContact C-N 3.3Å; L600-R602 PolarHBondContact O-N 3.41Å; R602-D618 IonicContact CZ-OD2 2.66Å; R602-D618 IonicContact NH1-OD1 2.68Å; R602-D618 PolarHBondContact NH1-OD1 2.96Å; R602-D618 IonicContact NH1-OD2 3.59Å; R602-D618 PolarHBondContact NH1-OD2 3.22Å; R602-D618 IonicContact NH2-OD2 2.84Å
603H64.9Low60.4Low113 Ų11382 Ų8252%0.52344%0.439SS..Hα-helixtrans-81.6-29.5-179.4-75.9-73.1000113.3L599 L600L599-H603 PolarHBondContact O-CD2 2.92Å; L599-H603 VanDerWaalsContact O-CD2 3.22Å; L599-H603 PolarHBondContact O-N 2.81Å; L600-H603 PolarHBondContact O-N 2.8Å
604N59.7Low59.9Low60 Ų6079 Ų7932%0.32142%0.423SS..SBendtrans-95.399.6177.6-67.4-23.9000109L600 F606 F642L600-N604 WeakPolarHBondContact O-CB 3.44Å; L600-N604 PolarHBondContact O-N 3.32Å; N604-F606 PolarHBondContact O-N 2.94Å; N604-F642 HydrophobicContact CB-CZ 4.41Å; N604-F642 WeakPolarHBondContact ND2-CE1 3.39Å; N604-F642 WeakPolarHBondContact ND2-CZ 3.43Å
605S52.6Low59.7Low117 Ų11777.9 Ų77.982%0.81841%0.411SS*.SBendtrans-5718.3-170.2-14.90000117.7
606F47.7Very low59.5Low195 Ų19578.3 Ų78.386%0.85541%0.413SS*.  trans-87.2-2.4-174-79.2-83000114.8N604N604-F606 PolarHBondContact O-N 2.94Å
607V46.2Very low59.2Low72 Ų7279 Ų7944%0.43642%0.418SS..SBendtrans-123.8126.2178.6-171.70000109.9L601 E609 L610L601-V607 HydrophobicContact CD2-CG2 4Å; V607-E609 PolarHBondContact O-N 2.97Å; V607-L610 HydrophobicContact CG1-CD1 4.29Å
608P45.6Very low59.2Low114 Ų11478.5 Ų78.574%0.7441%0.411SS*.  trans-58.4131.6172.421.3-28.2000109.2L610P608-L610 PolarHBondContact O-N 3.17Å
609E45.3Very low59.5Low185 Ų18576.6 Ų76.686%0.86440%0.403SS*.  trans-44.6109.3-177.8-70.1-175153.100110.7V607 P611V607-E609 PolarHBondContact O-N 2.97Å; E609-P611 WeakPolarHBondContact O-CD 3.32Å
610L49.2Very low59.7Low117 Ų11776 Ų7661%0.61340%0.399SS*.  trans-72109.2164.3-95.891000106.8V607 P608 N612 L613V607-L610 HydrophobicContact CG1-CD1 4.29Å; P608-L610 PolarHBondContact O-N 3.17Å; L610-N612 PolarHBondContact O-N 3.39Å; L610-L613 HydrophobicContact CB-CB 4.3Å; L610-L613 PolarHBondContact O-N 3.17Å
611P48.2Very low60.1Low102 Ų10275.4 Ų75.466%0.66240%0.396SS*.THydrogen-bonded Turntrans-64.2-15.4-170-20.133.4000113.8K560 E609K560-P611 PolarHBondContact NZ-O 3.31Å; E609-P611 WeakPolarHBondContact O-CD 3.32Å
612N51.5Low60.6Low75 Ų7571.6 Ų71.640%0.40138%0.376SS..THydrogen-bonded Turntrans-110.40.1-170.1-62.5-25.8000114.1I553 L610 V614I553-N612 HydrophobicContact CG2-CB 4.36Å; L610-N612 PolarHBondContact O-N 3.39Å; N612-V614 PolarHBondContact O-N 3.48Å
613L55.8Low61.4Low69 Ų6964.6 Ų64.636%0.36135%0.349SS..  trans-78.1109.1177.9-160.469.8000109.5K598 L610 V615K598-L613 HydrophobicContact CB-CD2 4.32Å; K598-L613 HydrophobicContact CD-CD1 4.38Å; K598-L613 HydrophobicContact CD-CD2 4.06Å; K598-L613 HydrophobicContact CD-CG 4.05Å; K598-L613 HydrophobicContact CG-CD2 3.83Å; K598-L613 HydrophobicContact CG-CG 4.39Å; L610-L613 HydrophobicContact CB-CB 4.3Å; L610-L613 PolarHBondContact O-N 3.17Å; L613-V615 PolarHBondContact O-N 3.47Å
614V60.1Low62.3Low5 Ų560.5 Ų60.53%0.0333%0.331CS..  trans-69.3119.7172.4-173.40000108.2Q556 K560 K598 N612 F616 F619Q556-V614 HydrophobicContact CB-CG2 4.39Å; K560-V614 HydrophobicContact CB-CG2 3.76Å; K560-V614 HydrophobicContact CD-CG2 4.2Å; K560-V614 HydrophobicContact CG-CG2 4.14Å; K598-V614 PolarHBondContact NZ-O 3.37Å; N612-V614 PolarHBondContact O-N 3.48Å; V614-F616 HydrophobicContact CB-CD2 4.3Å; V614-F616 HydrophobicContact CB-CE2 3.87Å; V614-F616 HydrophobicContact CB-CZ 4.19Å; V614-F616 HydrophobicContact CG1-CD1 4.16Å; V614-F616 HydrophobicContact CG1-CD2 3.89Å; V614-F616 HydrophobicContact CG1-CE1 4.01Å; V614-F616 HydrophobicContact CG1-CE2 3.72Å; V614-F616 HydrophobicContact CG1-CG 4.12Å; V614-F616 HydrophobicContact CG1-CZ 3.79Å; V614-F619 HydrophobicContact CG1-CE2 4.23Å
615V65.8Low63.4Low20 Ų2058.8 Ų58.812%0.12132%0.322CS..  trans-97.2104.8168.5-166.80000106.6L599 L613 S617 D618L599-V615 HydrophobicContact CG-CG1 4.06Å; L613-V615 PolarHBondContact O-N 3.47Å; V615-S617 WeakPolarHBondContact CG1-OG 3.45Å; V615-S617 PolarHBondContact O-N 3.15Å; V615-S617 VanDerWaalsContact O-N 3.17Å; V615-D618 PolarHBondContact O-N 3.21Å
616F68.4Low64.9Low17 Ų1754.2 Ų54.28%0.07529%0.29CS..G310 helixtrans-71.6-10.1-172.7-72.9-93.5000113.1L559 L563 L590 E595 V614 D618 F619 F623L559-F616 HydrophobicContact CD2-CE1 3.81Å; L559-F616 HydrophobicContact CD2-CZ 3.64Å; L559-F616 HydrophobicContact CG-CE1 4.26Å; L559-F616 HydrophobicContact CG-CZ 4.39Å; L563-F616 HydrophobicContact CD1-CD1 3.83Å; L563-F616 HydrophobicContact CD1-CE1 3.56Å; L590-F616 HydrophobicContact CD1-CB 3.66Å; L590-F616 HydrophobicContact CD1-CD1 3.75Å; L590-F616 HydrophobicContact CD1-CD2 3.77Å; L590-F616 HydrophobicContact CD1-CE1 4.27Å; L590-F616 HydrophobicContact CD1-CE2 4.3Å; L590-F616 HydrophobicContact CD1-CG 3.45Å; L590-F616 VanDerWaalsContact CD1-CG 3.45Å; L590-F616 HydrophobicContact CD2-CD2 3.86Å; L590-F616 HydrophobicContact CD2-CE2 3.69Å; L590-F616 HydrophobicContact CD2-CG 4.34Å; L590-F616 HydrophobicContact CD2-CZ 4.03Å; E595-F616 WeakPolarHBondContact OE1-CD2 3.37Å; E595-F616 WeakPolarHBondContact OE2-CD2 3.22Å; E595-F616 PolarHBondContact OE2-N 2.84Å; V614-F616 HydrophobicContact CB-CD2 4.3Å; V614-F616 HydrophobicContact CB-CE2 3.87Å; V614-F616 HydrophobicContact CB-CZ 4.19Å; V614-F616 HydrophobicContact CG1-CD1 4.16Å; V614-F616 HydrophobicContact CG1-CD2 3.89Å; V614-F616 HydrophobicContact CG1-CE1 4.01Å; V614-F616 HydrophobicContact CG1-CE2 3.72Å; V614-F616 HydrophobicContact CG1-CG 4.12Å; V614-F616 HydrophobicContact CG1-CZ 3.79Å; F616-D618 PolarHBondContact O-N 3.04Å; F616-F619 PolarHBondContact O-N 3.16Å; F616-F623 HydrophobicContact CB-CE2 4.26Å; F616-F623 HydrophobicContact CB-CZ 4.09Å; F616-F623 HydrophobicContact CD1-CZ 4.15Å; F616-F623 HydrophobicContact CG-CZ 4.47Å
617S64.4Low66.6Low14 Ų1445.2 Ų45.210%0.09825%0.25CS..G310 helixtrans-55.4-30.5171.567.10000113.2V615 F619 L620V615-S617 WeakPolarHBondContact CG1-OG 3.45Å; V615-S617 PolarHBondContact O-N 3.15Å; V615-S617 VanDerWaalsContact O-N 3.17Å; S617-F619 PolarHBondContact O-N 2.97Å; S617-L620 WeakPolarHBondContact O-CD1 3.4Å; S617-L620 WeakPolarHBondContact O-CG 3.43Å
618D70.2Confident68.5Low56 Ų5642.1 Ų42.130%0.29923%0.231SC..G310 helixtrans-75.4-3.6-179.4-70.1-12.7000113.1K567 R602 V615 F616K567-D618 PolarHBondContact NZ-O 2.8Å; R602-D618 IonicContact CZ-OD2 2.66Å; R602-D618 IonicContact NH1-OD1 2.68Å; R602-D618 PolarHBondContact NH1-OD1 2.96Å; R602-D618 IonicContact NH1-OD2 3.59Å; R602-D618 PolarHBondContact NH1-OD2 3.22Å; R602-D618 IonicContact NH2-OD2 2.84Å; V615-D618 PolarHBondContact O-N 3.21Å; F616-D618 PolarHBondContact O-N 3.04Å
619F78.7Confident70.3Confident4 Ų436.9 Ų36.92%0.01820%0.196CC..G310 helixtrans-129.724.2-177.7-49.6-75.7000112.7L563 E564 K567 V614 F616 S617 F621 S622L563-F619 VanDerWaalsContact C-CE1 3.46Å; L563-F619 HydrophobicContact CB-CD1 3.69Å; L563-F619 HydrophobicContact CB-CD2 4.16Å; L563-F619 HydrophobicContact CB-CE1 3.72Å; L563-F619 HydrophobicContact CB-CE2 4.18Å; L563-F619 HydrophobicContact CB-CG 3.91Å; L563-F619 HydrophobicContact CB-CZ 3.96Å; L563-F619 HydrophobicContact CD1-CD2 4.09Å; L563-F619 HydrophobicContact CD1-CE2 4.45Å; L563-F619 HydrophobicContact CD1-CG 4.32Å; L563-F619 HydrophobicContact CD2-CB 4.4Å; L563-F619 HydrophobicContact CD2-CG 4.49Å; L563-F619 HydrophobicContact CG-CG 4.48Å; L563-F619 WeakPolarHBondContact O-CD1 3.28Å; L563-F619 WeakPolarHBondContact O-CE1 3.14Å; E564-F619 HydrophobicContact CG-CE1 4.11Å; E564-F619 HydrophobicContact CG-CZ 3.93Å; E564-F619 VanDerWaalsContact OE1-CZ 3.27Å; E564-F619 WeakPolarHBondContact OE1-CZ 3.04Å; K567-F619 HydrophobicContact CB-CD1 4.13Å; K567-F619 HydrophobicContact CB-CE1 4.18Å; K567-F619 HydrophobicContact CD-CD1 4.03Å; K567-F619 HydrophobicContact CD-CE1 3.8Å; V614-F619 HydrophobicContact CG1-CE2 4.23Å; F616-F619 PolarHBondContact O-N 3.16Å; S617-F619 PolarHBondContact O-N 2.97Å; F619-F621 HydrophobicContact CB-CE1 4.13Å; F619-F621 HydrophobicContact CD1-CE1 4.17Å; F619-F621 PolarHBondContact O-N 3.19Å; F619-S622 PolarHBondContact O-N 2.89Å; F619-S622 PolarHBondContact O-OG 3.42Å
620L74.5Confident72Confident4 Ų432.4 Ų32.42%0.02117%0.174CC..G310 helixtrans-59-19.4-174.3-81.5165.7000115.1S617 S622 F623 F627 K628 L631 Q872S617-L620 WeakPolarHBondContact O-CD1 3.4Å; S617-L620 WeakPolarHBondContact O-CG 3.43Å; L620-S622 PolarHBondContact O-N 2.89Å; L620-F623 HydrophobicContact CD2-CD2 4.07Å; L620-F623 HydrophobicContact CD2-CG 4.44Å; L620-F623 PolarHBondContact O-N 3.18Å; L620-F623 VanDerWaalsContact O-N 3.1Å; L620-F627 HydrophobicContact CD2-CD1 4.49Å; L620-F627 HydrophobicContact CD2-CE1 4.39Å; L620-K628 WeakPolarHBondContact O-CE 3.32Å; L620-L631 HydrophobicContact CD1-CD2 3.85Å; L620-L631 HydrophobicContact CD2-CD2 3.73Å; L620-L631 HydrophobicContact CG-CD2 4.42Å; L620-Q872 HydrophobicContact CB-CB 3.7Å; L620-Q872 HydrophobicContact CB-CG 3.96Å; L620-Q872 HydrophobicContact CD1-CB 4.05Å; L620-Q872 HydrophobicContact CD1-CG 3.8Å
621F78.4Confident73.5Confident17 Ų1727 Ų278%0.07515%0.146CC..G310 helixtrans-60.4-24.117273.2-90000113.2M566 K567 H570 F581 F619 F623M566-F621 HydrophobicContact CB-CZ 4.26Å; M566-F621 HydrophobicContact CG-CE2 3.68Å; M566-F621 HydrophobicContact CG-CZ 3.87Å; K567-F621 HydrophobicContact CB-CE1 3.84Å; K567-F621 HydrophobicContact CB-CZ 4.01Å; K567-F621 HydrophobicContact CG-CE1 4.16Å; H570-F621 HydrophobicContact CB-CD2 3.99Å; H570-F621 HydrophobicContact CB-CE2 3.81Å; H570-F621 HydrophobicContact CB-CZ 4.23Å; H570-F621 AromaticContact CD2-CD2 3.69Å; H570-F621 AromaticContact CG-CD2 3.66Å; H570-F621 AromaticContact CG-CG 3.97Å; F581-F621 HydrophobicContact CB-CD2 3.93Å; F581-F621 HydrophobicContact CB-CE2 4.25Å; F581-F621 HydrophobicContact CD1-CE2 4.31Å; F581-F621 HydrophobicContact CG-CD2 4.49Å; F619-F621 HydrophobicContact CB-CE1 4.13Å; F619-F621 HydrophobicContact CD1-CE1 4.17Å; F619-F621 PolarHBondContact O-N 3.19Å; F621-F623 VanDerWaalsContact C-N 3.3Å
622S79.8Confident75Confident0 Ų022.2 Ų22.20%012%0.115CC..G310 helixtrans-84.7-0.8177.269.70000113.8F581 I583 F619 L620F581-S622 WeakPolarHBondContact O-CA 3.28Å; I583-S622 PolarHBondContact N-O 3.45Å; F619-S622 PolarHBondContact O-N 2.89Å; F619-S622 PolarHBondContact O-OG 3.42Å; L620-S622 PolarHBondContact O-N 2.89Å
623F82.6Confident76.3Confident0 Ų024.3 Ų24.30%012%0.12CC..SBendtrans-104.6151.6-178.5-68.1-91.1000111.7L586 L590 F616 L620 F621 F627 K628L586-F623 HydrophobicContact CB-CD1 4.26Å; L586-F623 HydrophobicContact CB-CE1 3.69Å; L586-F623 HydrophobicContact CB-CZ 4.18Å; L586-F623 HydrophobicContact CD1-CZ 4.33Å; L590-F623 HydrophobicContact CD1-CE1 3.59Å; L590-F623 HydrophobicContact CD1-CZ 3.38Å; L590-F623 HydrophobicContact CG-CE1 4.49Å; F616-F623 HydrophobicContact CB-CE2 4.26Å; F616-F623 HydrophobicContact CB-CZ 4.09Å; F616-F623 HydrophobicContact CD1-CZ 4.15Å; F616-F623 HydrophobicContact CG-CZ 4.47Å; L620-F623 HydrophobicContact CD2-CD2 4.07Å; L620-F623 HydrophobicContact CD2-CG 4.44Å; L620-F623 PolarHBondContact O-N 3.18Å; L620-F623 VanDerWaalsContact O-N 3.1Å; F621-F623 VanDerWaalsContact C-N 3.3Å; F623-F627 HydrophobicContact CB-CB 4.31Å; F623-F627 HydrophobicContact CB-CD1 3.81Å; F623-F627 HydrophobicContact CB-CG 4.37Å; F623-F627 HydrophobicContact CD1-CB 4.29Å; F623-F627 AromaticContact CD1-CD1 3.24Å; F623-F627 HydrophobicContact CD1-CD1 3.24Å; F623-F627 HydrophobicContact CD1-CD2 4.25Å; F623-F627 AromaticContact CD1-CE1 3.48Å; F623-F627 HydrophobicContact CD1-CE1 3.48Å; F623-F627 VanDerWaalsContact CD1-CE1 3.48Å; F623-F627 HydrophobicContact CD1-CE2 4.43Å; F623-F627 AromaticContact CD1-CG 3.67Å; F623-F627 HydrophobicContact CD1-CG 3.67Å; F623-F627 HydrophobicContact CD1-CZ 4.09Å; F623-F627 AromaticContact CE1-CD1 3.92Å; F623-F627 HydrophobicContact CE1-CD1 3.92Å; F623-F627 AromaticContact CE1-CE1 3.65Å; F623-F627 HydrophobicContact CE1-CE1 3.65Å; F623-F627 HydrophobicContact CE1-CE2 4.39Å; F623-F627 HydrophobicContact CE1-CG 4.4Å; F623-F627 AromaticContact CE1-CZ 3.91Å; F623-F627 HydrophobicContact CE1-CZ 3.91Å; F623-F627 AromaticContact CG-CD1 3.59Å; F623-F627 HydrophobicContact CG-CD1 3.59Å; F623-F627 AromaticContact CG-CE1 3.95Å; F623-F627 HydrophobicContact CG-CE1 3.95Å; F623-F627 HydrophobicContact CG-CG 4.31Å; F623-F627 HydrophobicContact CZ-CE1 4.24Å; F623-K628 VanDerWaalsContact O-CE 3.31Å; F623-K628 WeakPolarHBondContact O-CE 3.31Å
624D82.8Confident77.3Confident28 Ų2821.9 Ų21.915%0.1511%0.109CC..  trans-77159.3174.559.15.3000112.3V582 H584 S587 P626 F627 K628V582-D624 HydrophobicContact CG1-CB 3.89Å; H584-D624 IonicContact ND1-OD2 3.46Å; H584-D624 PolarHBondContact ND1-OD2 3.17Å; S587-D624 WeakPolarHBondContact CB-OD1 3.35Å; S587-D624 PolarHBondContact OG-OD1 3.33Å; D624-P626 VanDerWaalsContact C-CD 3.45Å; D624-P626 VanDerWaalsContact C-N 3.34Å; D624-F627 PolarHBondContact O-N 2.97Å; D624-F627 VanDerWaalsContact O-N 3.12Å; D624-F627 VanDerWaalsContact OD1-CB 3.23Å; D624-F627 WeakPolarHBondContact OD1-CB 3.2Å; D624-F627 PolarHBondContact OD1-N 3.37Å; D624-K628 PolarHBondContact O-N 3.12Å; D624-K628 VanDerWaalsContact O-N 3.16Å
625L84.1Confident78.1Confident23 Ų2321.8 Ų21.812%0.1211%0.108CC..Hα-helixtrans-53.3-42.5179.9-179.857.1000113.4F627 K628 I629 F873 E877 T880 A881 V940L625-F627 VanDerWaalsContact C-N 3.33Å; L625-F627 PolarHBondContact O-N 3.23Å; L625-K628 PolarHBondContact O-N 3.07Å; L625-I629 HydrophobicContact CD1-CD1 3.81Å; L625-I629 HydrophobicContact CD1-CG1 4.07Å; L625-I629 HydrophobicContact CG-CD1 3.81Å; L625-I629 WeakPolarHBondContact O-CG1 3.49Å; L625-I629 PolarHBondContact O-N 3.17Å; L625-F873 HydrophobicContact CD1-CD1 3.87Å; L625-F873 HydrophobicContact CD1-CE1 3.59Å; L625-E877 HydrophobicContact CD1-CB 3.85Å; L625-E877 HydrophobicContact CD1-CG 4.23Å; L625-E877 HydrophobicContact CD2-CB 4.46Å; L625-T880 HydrophobicContact CD2-CG2 4.13Å; L625-A881 HydrophobicContact CD1-CB 4.4Å; L625-V940 HydrophobicContact CD2-CG1 4.01Å; L625-V940 HydrophobicContact CD2-CG2 3.98Å; L625-V940 HydrophobicContact CG-CG1 4.22Å; L625-V940 HydrophobicContact CG-CG2 4.46Å
626P83.8Confident78.3Confident22 Ų2221.6 Ų21.614%0.14311%0.107CC..Hα-helixtrans-58.7-40.3176.9-25.736000113.4D624 I629 K630 V940 K941 L943D624-P626 VanDerWaalsContact C-CD 3.45Å; D624-P626 VanDerWaalsContact C-N 3.34Å; P626-I629 PolarHBondContact O-N 3.46Å; P626-K630 WeakPolarHBondContact O-CG 3.37Å; P626-K630 PolarHBondContact O-N 2.97Å; P626-V940 HydrophobicContact CG-CG1 4.13Å; P626-K941 VanDerWaalsContact CG-O 3.3Å; P626-K941 WeakPolarHBondContact CG-O 3.42Å; P626-L943 HydrophobicContact CB-CD2 4.11Å; P626-L943 HydrophobicContact CB-CG 4.36Å; P626-L943 WeakPolarHBondContact O-CD2 2.98Å
627F83.1Confident78.2Confident6 Ų623 Ų233%0.02612%0.119CC..Hα-helixtrans-67.3-42.9176.9-175.3-91.3000112S587 L590 P592 L620 F623 D624 L625 I629 K630 L631S587-F627 WeakPolarHBondContact OG-CB 3.21Å; L590-F627 HydrophobicContact CB-CE2 3.93Å; L590-F627 HydrophobicContact CB-CZ 3.86Å; L590-F627 HydrophobicContact CD1-CZ 4.18Å; P592-F627 HydrophobicContact CG-CD2 4.46Å; P592-F627 HydrophobicContact CG-CE2 3.94Å; P592-F627 HydrophobicContact CG-CZ 4.49Å; L620-F627 HydrophobicContact CD2-CD1 4.49Å; L620-F627 HydrophobicContact CD2-CE1 4.39Å; F623-F627 HydrophobicContact CB-CB 4.31Å; F623-F627 HydrophobicContact CB-CD1 3.81Å; F623-F627 HydrophobicContact CB-CG 4.37Å; F623-F627 HydrophobicContact CD1-CB 4.29Å; F623-F627 AromaticContact CD1-CD1 3.24Å; F623-F627 HydrophobicContact CD1-CD1 3.24Å; F623-F627 HydrophobicContact CD1-CD2 4.25Å; F623-F627 AromaticContact CD1-CE1 3.48Å; F623-F627 HydrophobicContact CD1-CE1 3.48Å; F623-F627 VanDerWaalsContact CD1-CE1 3.48Å; F623-F627 HydrophobicContact CD1-CE2 4.43Å; F623-F627 AromaticContact CD1-CG 3.67Å; F623-F627 HydrophobicContact CD1-CG 3.67Å; F623-F627 HydrophobicContact CD1-CZ 4.09Å; F623-F627 AromaticContact CE1-CD1 3.92Å; F623-F627 HydrophobicContact CE1-CD1 3.92Å; F623-F627 AromaticContact CE1-CE1 3.65Å; F623-F627 HydrophobicContact CE1-CE1 3.65Å; F623-F627 HydrophobicContact CE1-CE2 4.39Å; F623-F627 HydrophobicContact CE1-CG 4.4Å; F623-F627 AromaticContact CE1-CZ 3.91Å; F623-F627 HydrophobicContact CE1-CZ 3.91Å; F623-F627 AromaticContact CG-CD1 3.59Å; F623-F627 HydrophobicContact CG-CD1 3.59Å; F623-F627 AromaticContact CG-CE1 3.95Å; F623-F627 HydrophobicContact CG-CE1 3.95Å; F623-F627 HydrophobicContact CG-CG 4.31Å; F623-F627 HydrophobicContact CZ-CE1 4.24Å; D624-F627 PolarHBondContact O-N 2.97Å; D624-F627 VanDerWaalsContact O-N 3.12Å; D624-F627 VanDerWaalsContact OD1-CB 3.23Å; D624-F627 WeakPolarHBondContact OD1-CB 3.2Å; D624-F627 PolarHBondContact OD1-N 3.37Å; L625-F627 VanDerWaalsContact C-N 3.33Å; L625-F627 PolarHBondContact O-N 3.23Å; F627-I629 VanDerWaalsContact C-N 3.28Å; F627-I629 PolarHBondContact O-N 3.19Å; F627-K630 PolarHBondContact O-N 3.1Å; F627-K630 VanDerWaalsContact O-N 3.17Å; F627-L631 WeakPolarHBondContact O-CB 3.16Å; F627-L631 PolarHBondContact O-N 3.32Å
628K85.3Confident78.5Confident7 Ų722.7 Ų22.73%0.0312%0.118CC..Hα-helixtrans-57.4-41.2176.2-64.5174.9-178.6169.60111.8L620 F623 D624 L625 M632 F873 E877L620-K628 WeakPolarHBondContact O-CE 3.32Å; F623-K628 VanDerWaalsContact O-CE 3.31Å; F623-K628 WeakPolarHBondContact O-CE 3.31Å; D624-K628 PolarHBondContact O-N 3.12Å; D624-K628 VanDerWaalsContact O-N 3.16Å; L625-K628 PolarHBondContact O-N 3.07Å; K628-M632 PolarHBondContact O-N 2.91Å; K628-F873 HydrophobicContact CB-CE1 4.01Å; K628-F873 HydrophobicContact CB-CE2 3.84Å; K628-F873 HydrophobicContact CB-CZ 3.5Å; K628-F873 VanDerWaalsContact CB-CZ 3.5Å; K628-E877 IonicContact NZ-OE1 3.88Å; K628-E877 PolarHBondContact NZ-OE1 3.04Å; K628-E877 IonicContact NZ-OE2 2.77Å; K628-E877 PolarHBondContact NZ-OE2 2.94Å
629I83.9Confident78.3Confident3 Ų322.2 Ų22.22%0.01511%0.113CC..Hα-helixtrans-69.3-41.4177.1-66166000111.4L625 P626 F627 L631 M632 K633 V755 F873 A881 V940 L943L625-I629 HydrophobicContact CD1-CD1 3.81Å; L625-I629 HydrophobicContact CD1-CG1 4.07Å; L625-I629 HydrophobicContact CG-CD1 3.81Å; L625-I629 WeakPolarHBondContact O-CG1 3.49Å; L625-I629 PolarHBondContact O-N 3.17Å; P626-I629 PolarHBondContact O-N 3.46Å; F627-I629 VanDerWaalsContact C-N 3.28Å; F627-I629 PolarHBondContact O-N 3.19Å; I629-L631 PolarHBondContact O-N 3Å; I629-M632 HydrophobicContact CG2-CE 4.35Å; I629-M632 PolarHBondContact O-N 3.09Å; I629-K633 PolarHBondContact O-N 3.28Å; I629-K633 VanDerWaalsContact O-N 3.07Å; I629-V755 HydrophobicContact CG2-CG1 3.82Å; I629-V755 HydrophobicContact CG2-CG2 4.1Å; I629-F873 HydrophobicContact CG1-CE1 4.1Å; I629-F873 HydrophobicContact CG1-CZ 4.33Å; I629-A881 HydrophobicContact CD1-CB 3.7Å; I629-A881 HydrophobicContact CG1-CB 3.97Å; I629-V940 HydrophobicContact CD1-CB 4.37Å; I629-V940 HydrophobicContact CD1-CG2 3.91Å; I629-L943 HydrophobicContact CB-CD1 4.1Å; I629-L943 HydrophobicContact CB-CD2 4.02Å; I629-L943 HydrophobicContact CD1-CD1 3.65Å; I629-L943 HydrophobicContact CG1-CD1 4.47Å; I629-L943 HydrophobicContact CG2-CD1 3.7Å; I629-L943 HydrophobicContact CG2-CD2 3.92Å; I629-L943 HydrophobicContact CG2-CG 4.49Å
630K81.9Confident77.7Confident92 Ų9224.1 Ų24.140%0.412%0.123SC..Hα-helixtrans-60.2-44174.4-74.9172.2-175.6174.10111.9P592 P626 F627 M632 K633 C634 G942 L943P592-K630 HydrophobicContact CG-CB 4.25Å; P626-K630 WeakPolarHBondContact O-CG 3.37Å; P626-K630 PolarHBondContact O-N 2.97Å; F627-K630 PolarHBondContact O-N 3.1Å; F627-K630 VanDerWaalsContact O-N 3.17Å; K630-M632 VanDerWaalsContact C-N 3.29Å; K630-M632 PolarHBondContact O-N 2.79Å; K630-K633 WeakPolarHBondContact O-CB 3.42Å; K630-K633 PolarHBondContact O-N 2.93Å; K630-C634 PolarHBondContact O-N 3.19Å; K630-C634 PolarHBondContact O-SG 3.13Å; K630-G942 PolarHBondContact NZ-O 3.25Å; K630-L943 HydrophobicContact CG-CD2 4.01Å
631L80.3Confident77.4Confident3 Ų330.1 Ų30.12%0.01615%0.149CC..Hα-helixtrans-58.6-42.5177.8-171.472.6000111.7P592 E595 I596 L620 F627 I629 C634 D635 I869P592-L631 HydrophobicContact CB-CD1 4.36Å; E595-L631 HydrophobicContact CB-CD1 4.1Å; I596-L631 HydrophobicContact CD1-CD1 3.71Å; I596-L631 HydrophobicContact CD1-CG 3.84Å; I596-L631 HydrophobicContact CG1-CD1 3.72Å; I596-L631 HydrophobicContact CG1-CG 4.28Å; L620-L631 HydrophobicContact CD1-CD2 3.85Å; L620-L631 HydrophobicContact CD2-CD2 3.73Å; L620-L631 HydrophobicContact CG-CD2 4.42Å; F627-L631 WeakPolarHBondContact O-CB 3.16Å; F627-L631 PolarHBondContact O-N 3.32Å; I629-L631 PolarHBondContact O-N 3Å; L631-C634 PolarHBondContact O-N 3Å; L631-D635 PolarHBondContact O-N 3.14Å; L631-I869 HydrophobicContact CG-CD1 4.45Å
632M79.8Confident76.7Confident2 Ų233.5 Ų33.51%0.0116%0.164CC..Hα-helixtrans-67.4-36.5177.9-177.1-82-53.200112.8K628 I629 K630 D635 L752 S753 I869K628-M632 PolarHBondContact O-N 2.91Å; I629-M632 HydrophobicContact CG2-CE 4.35Å; I629-M632 PolarHBondContact O-N 3.09Å; K630-M632 VanDerWaalsContact C-N 3.29Å; K630-M632 PolarHBondContact O-N 2.79Å; M632-D635 PolarHBondContact O-N 2.82Å; M632-L752 HydrophobicContact CE-CD1 3.7Å; M632-L752 HydrophobicContact CE-CG 3.61Å; M632-L752 WeakPolarHBondContact CE-O 3.27Å; M632-L752 HydrophobicContact SD-CG 4.09Å; M632-S753 VanDerWaalsContact SD-CA 3.53Å; M632-I869 HydrophobicContact CB-CG2 4.06Å
633K79.1Confident75.9Confident118 Ų11836.9 Ų36.951%0.51318%0.18SC..Hα-helixtrans-61.9-43.2170.8-175.5-175.9178.2179.60111.8I629 K630 S636 S637 V755I629-K633 PolarHBondContact O-N 3.28Å; I629-K633 VanDerWaalsContact O-N 3.07Å; K630-K633 WeakPolarHBondContact O-CB 3.42Å; K630-K633 PolarHBondContact O-N 2.93Å; K633-S636 PolarHBondContact O-N 3.3Å; K633-S637 PolarHBondContact O-N 3.32Å; K633-S637 PolarHBondContact O-OG 3.44Å; K633-V755 HydrophobicContact CB-CG2 3.98Å; K633-V755 HydrophobicContact CD-CG2 3.96Å; K633-V755 HydrophobicContact CG-CG2 4.15Å
634C77.2Confident74.9Confident18 Ų1839.6 Ų39.612%0.12220%0.202CC..Hα-helixtrans-66.5-36.7179-71.20000112.6P592 D593 I596 K630 L631 S636 S637 A638P592-C634 HydrophobicContact CB-CB 4.33Å; D593-C634 WeakPolarHBondContact OD1-CB 3.47Å; D593-C634 PolarHBondContact OD1-SG 2.88Å; I596-C634 HydrophobicContact CG1-CB 3.95Å; K630-C634 PolarHBondContact O-N 3.19Å; K630-C634 PolarHBondContact O-SG 3.13Å; L631-C634 PolarHBondContact O-N 3Å; C634-S636 VanDerWaalsContact C-N 3.3Å; C634-S636 PolarHBondContact O-N 2.87Å; C634-S637 PolarHBondContact O-N 2.97Å; C634-S637 VanDerWaalsContact O-N 3.1Å; C634-A638 WeakPolarHBondContact O-CB 3.45Å; C634-A638 PolarHBondContact O-N 3.27Å
635D76.2Confident74Confident4 Ų445.7 Ų45.72%0.02123%0.232CC..Hα-helixtrans-53.9-45.8174.817782.3000112.2I596 L631 M632 S637 A638 K639 N866 I869I596-D635 HydrophobicContact CD1-CB 3.8Å; I596-D635 HydrophobicContact CG1-CB 4.4Å; L631-D635 PolarHBondContact O-N 3.14Å; M632-D635 PolarHBondContact O-N 2.82Å; D635-S637 VanDerWaalsContact C-N 3.33Å; D635-S637 PolarHBondContact O-N 3.46Å; D635-A638 PolarHBondContact O-N 2.85Å; D635-K639 WeakPolarHBondContact O-CG 3.2Å; D635-K639 PolarHBondContact O-N 2.91Å; D635-K639 VanDerWaalsContact O-N 3.1Å; D635-K639 WeakPolarHBondContact OD1-CE 3.3Å; D635-K639 IonicContact OD1-NZ 2.77Å; D635-K639 PolarHBondContact OD1-NZ 3.45Å; D635-K639 VanDerWaalsContact OD2-CE 3.26Å; D635-K639 WeakPolarHBondContact OD2-CE 2.98Å; D635-K639 IonicContact OD2-NZ 3.73Å; D635-K639 PolarHBondContact OD2-NZ 3.29Å; D635-N866 PolarHBondContact OD1-ND2 3.2Å; D635-N866 WeakPolarHBondContact OD2-CB 3.31Å; D635-I869 HydrophobicContact CB-CD1 3.69Å
636S68.9Low72.9Confident15 Ų1548.7 Ų48.711%0.10526%0.26CS..Hα-helixtrans-62.8-40.7177.9-55.20000111.8K633 C634K633-S636 PolarHBondContact O-N 3.3Å; C634-S636 VanDerWaalsContact C-N 3.3Å; C634-S636 PolarHBondContact O-N 2.87Å
637S68.2Low71.7Confident46 Ų4650.1 Ų50.132%0.32227%0.27SS..Hα-helixtrans-73.2-34.2-179.9-56.70000113K633 C634 D635 K641K633-S637 PolarHBondContact O-N 3.32Å; K633-S637 PolarHBondContact O-OG 3.44Å; C634-S637 PolarHBondContact O-N 2.97Å; C634-S637 VanDerWaalsContact O-N 3.1Å; D635-S637 VanDerWaalsContact C-N 3.33Å; D635-S637 PolarHBondContact O-N 3.46Å; S637-K641 PolarHBondContact O-N 3.49Å
638A69.5Low70.2Confident8 Ų859 Ų597%0.06631%0.312CS..Hα-helixtrans-77-36.8-17800000112.5I596 L600 C634 D635 L640 K641 F642I596-A638 HydrophobicContact CB-CB 4.44Å; I596-A638 HydrophobicContact CG2-CB 3.28Å; L600-A638 HydrophobicContact CD1-CB 3.68Å; C634-A638 WeakPolarHBondContact O-CB 3.45Å; C634-A638 PolarHBondContact O-N 3.27Å; D635-A638 PolarHBondContact O-N 2.85Å; A638-L640 VanDerWaalsContact C-N 3.31Å; A638-L640 PolarHBondContact O-N 3.15Å; A638-K641 PolarHBondContact O-N 2.92Å; A638-K641 VanDerWaalsContact O-N 3.15Å; A638-F642 PolarHBondContact O-N 3.17Å
639K66.8Low68.5Low47 Ų4762 Ų6220%0.20434%0.344CS..Hα-helixtrans-57.3-44.2173.5-76.4169.1176.2166.60111.8D635 K641 F642 E643D635-K639 WeakPolarHBondContact O-CG 3.2Å; D635-K639 PolarHBondContact O-N 2.91Å; D635-K639 VanDerWaalsContact O-N 3.1Å; D635-K639 WeakPolarHBondContact OD1-CE 3.3Å; D635-K639 IonicContact OD1-NZ 2.77Å; D635-K639 PolarHBondContact OD1-NZ 3.45Å; D635-K639 VanDerWaalsContact OD2-CE 3.26Å; D635-K639 WeakPolarHBondContact OD2-CE 2.98Å; D635-K639 IonicContact OD2-NZ 3.73Å; D635-K639 PolarHBondContact OD2-NZ 3.29Å; K639-K641 PolarHBondContact O-N 3.38Å; K639-F642 PolarHBondContact O-N 3.48Å; K639-E643 WeakPolarHBondContact O-CB 3.21Å; K639-E643 WeakPolarHBondContact O-CG 3.36Å; K639-E643 PolarHBondContact O-N 3.11Å
640L66Low66.8Low44 Ų4473 Ų7323%0.2339%0.386CS..Hα-helixtrans-56.1-47.1172.8-79.6172.2000112.9A638 F642 E643 A644 K682 P683A638-L640 VanDerWaalsContact C-N 3.31Å; A638-L640 PolarHBondContact O-N 3.15Å; L640-F642 VanDerWaalsContact C-N 3.31Å; L640-F642 PolarHBondContact O-N 2.89Å; L640-E643 PolarHBondContact O-N 3.32Å; L640-A644 WeakPolarHBondContact O-CB 3.12Å; L640-A644 PolarHBondContact O-N 2.92Å; L640-K682 HydrophobicContact CD2-CB 4.39Å; L640-K682 HydrophobicContact CD2-CD 4.46Å; L640-K682 HydrophobicContact CD2-CG 3.91Å; L640-P683 HydrophobicContact CD1-CG 3.59Å
641K66.9Low65.4Low130 Ų13073.3 Ų73.357%0.56539%0.39SS*.Hα-helixtrans-62.6-40.9180-70.2174.9-177.1173.80111S637 A638 K639 M645S637-K641 PolarHBondContact O-N 3.49Å; A638-K641 PolarHBondContact O-N 2.92Å; A638-K641 VanDerWaalsContact O-N 3.15Å; K639-K641 PolarHBondContact O-N 3.38Å; K641-M645 VanDerWaalsContact O-CG 3.28Å; K641-M645 WeakPolarHBondContact O-CG 3.17Å; K641-M645 PolarHBondContact O-N 3.27Å; K641-M645 VanDerWaalsContact O-N 3.12Å
642F64.6Low64.3Low87 Ų8782.9 Ų82.938%0.38243%0.426SS..Hα-helixtrans-70.4-42.3179.9-144-81.4000112.1N604 A638 K639 L640 M645 A646N604-F642 HydrophobicContact CB-CZ 4.41Å; N604-F642 WeakPolarHBondContact ND2-CE1 3.39Å; N604-F642 WeakPolarHBondContact ND2-CZ 3.43Å; A638-F642 PolarHBondContact O-N 3.17Å; K639-F642 PolarHBondContact O-N 3.48Å; L640-F642 VanDerWaalsContact C-N 3.31Å; L640-F642 PolarHBondContact O-N 2.89Å; F642-M645 PolarHBondContact O-N 2.67Å; F642-A646 PolarHBondContact O-N 2.9Å
643E63.1Low63.6Low71 Ų7187 Ų8733%0.33245%0.451SS..Hα-helixtrans-66-40.8175.4-74.2176.6-179.700111.7K639 L640 M645 A646 S647K639-E643 WeakPolarHBondContact O-CB 3.21Å; K639-E643 WeakPolarHBondContact O-CG 3.36Å; K639-E643 PolarHBondContact O-N 3.11Å; L640-E643 PolarHBondContact O-N 3.32Å; E643-M645 VanDerWaalsContact C-N 3.31Å; E643-M645 PolarHBondContact O-N 3.12Å; E643-A646 WeakPolarHBondContact O-CB 3.42Å; E643-A646 PolarHBondContact O-N 3.27Å; E643-S647 WeakPolarHBondContact O-CB 3.42Å; E643-S647 PolarHBondContact O-N 3.42Å; E643-S647 PolarHBondContact O-OG 2.88Å
644A61.9Low63.4Low58 Ų5886.3 Ų86.348%0.47945%0.448SS..Hα-helixtrans-63.2-35.1175.600000112.8L640 A646L640-A644 WeakPolarHBondContact O-CB 3.12Å; L640-A644 PolarHBondContact O-N 2.92Å; A644-A646 VanDerWaalsContact C-N 3.31Å
645M63.7Low63.7Low156 Ų15686 Ų8677%0.76845%0.445SS*.Hα-helixtrans-66.4-32.8171.8-73.7176.9-169.100112.1K641 F642 E643K641-M645 VanDerWaalsContact O-CG 3.28Å; K641-M645 WeakPolarHBondContact O-CG 3.17Å; K641-M645 PolarHBondContact O-N 3.27Å; K641-M645 VanDerWaalsContact O-N 3.12Å; F642-M645 PolarHBondContact O-N 2.67Å; E643-M645 VanDerWaalsContact C-N 3.31Å; E643-M645 PolarHBondContact O-N 3.12Å
646A61.5Low64.2Low85 Ų8588.3 Ų88.370%0.70246%0.46SS*.Hα-helixtrans-79.5-26.8178.900000113.7F642 E643 A644F642-A646 PolarHBondContact O-N 2.9Å; E643-A646 WeakPolarHBondContact O-CB 3.42Å; E643-A646 PolarHBondContact O-N 3.27Å; A644-A646 VanDerWaalsContact C-N 3.31Å
647S57.9Low65.1Low52 Ų5287.7 Ų87.736%0.36446%0.455SS..THydrogen-bonded Turntrans-107.317.1-166.675.30000116.3E643 G649E643-S647 WeakPolarHBondContact O-CB 3.42Å; E643-S647 PolarHBondContact O-N 3.42Å; E643-S647 PolarHBondContact O-OG 2.88Å; S647-G649 VanDerWaalsContact C-N 3.29Å; S647-G649 PolarHBondContact O-N 2.7Å
648Q51.2Low66Low193 Ų19390.3 Ų90.390%0.90246%0.462SS*.THydrogen-bonded Turntrans42.744.9176-68.9-169.6-7.700115.5
649G50.5Low67Low69 Ų6990 Ų9071%0.71146%0.459SS*.THydrogen-bonded Turntrans8413.6155.700000119.5S647S647-G649 VanDerWaalsContact C-N 3.29Å; S647-G649 PolarHBondContact O-N 2.7Å
650R48.5Very low68Low235 Ų23592 Ų9289%0.88747%0.466SS*.  trans-125.882168.8-82-172.4176.8-177.40.3112.7
651M52.6Low68.8Low98 Ų9893.6 Ų93.648%0.48347%0.469SS..SBendtrans-139.1143164.8-73.8-128.793.700110.7T653M651-T653 PolarHBondContact O-N 3.33Å
652R55.8Low69.7Low205 Ų20592 Ų9277%0.77447%0.474SS*.  trans-56.4128164.2-76.9-178.6173.2-176.4-4.5108.7K682R652-K682 WeakPolarHBondContact O-CD 3.26Å; R652-K682 WeakPolarHBondContact O-CE 3.32Å; R652-K682 PolarHBondContact O-NZ 3.05Å
653T65.8Low70.9Confident88 Ų8891.3 Ų91.354%0.5447%0.472SS..SBendtrans-80.6-15.4-175.244.70000113.9M651M651-T653 PolarHBondContact O-N 3.33Å
654F73.9Confident72.2Confident103 Ų10388.2 Ų88.245%0.45246%0.457SS..SBendtrans-134.1153.4-174.2-57.1-73.2000111.2P683 V685F654-P683 WeakPolarHBondContact CA-O 3.47Å; F654-P683 HydrophobicContact CD1-CB 4.01Å; F654-P683 HydrophobicContact CD1-CG 4.38Å; F654-P683 HydrophobicContact CE1-CB 4.35Å; F654-V685 HydrophobicContact CB-CG2 3.87Å; F654-V685 HydrophobicContact CD1-CG2 3.9Å; F654-V685 HydrophobicContact CG-CG2 3.86Å
655L84.3Confident73.6Confident12 Ų1285.8 Ų85.86%0.06344%0.437CS..EExtended strand (participates in β ladder)trans-87.5109.9161.6175.264.7000107.2L672 A675 D679 L680 K682 P683 L684 V685 L750L655-L672 HydrophobicContact CD2-CD2 4.46Å; L655-A675 HydrophobicContact CD1-CB 4.26Å; L655-D679 HydrophobicContact CD1-CB 4.32Å; L655-L680 HydrophobicContact CD2-CD2 4.31Å; L655-K682 HydrophobicContact CB-CB 4.31Å; L655-P683 PolarHBondContact N-O 3.35Å; L655-L684 HydrophobicContact CB-CD1 4.44Å; L655-L684 HydrophobicContact CD2-CD1 3.99Å; L655-L684 HydrophobicContact CG-CD1 4.04Å; L655-L684 WeakPolarHBondContact O-CA 3.45Å; L655-V685 PolarHBondContact O-N 2.73Å; L655-L750 HydrophobicContact CD2-CD1 4.06Å; L655-L750 HydrophobicContact CD2-CD2 4.31Å
656T85.6Confident74.9Confident53 Ų5383.7 Ų83.733%0.32543%0.425SS..EExtended strand (participates in β ladder)trans-97.8128.8178.4-54.40000110E658 V685T656-E658 HydrophobicContact CG2-CG 4.32Å; T656-V685 CarbonylContact C-O 3.57Å; T656-V685 WeakPolarHBondContact CA-O 3.34Å
657L87.9Confident76.4Confident1 Ų179.6 Ų79.61%0.00539%0.391CS..EExtended strand (participates in β ladder)trans-113.9113.5171.4-63.8-177.8000110.3V659 T668 Q671 L672 L684 V685 V686 E687 F703L657-V659 HydrophobicContact CB-CG1 4.4Å; L657-T668 HydrophobicContact CD1-CG2 4.2Å; L657-Q671 HydrophobicContact CD2-CB 3.74Å; L657-L672 HydrophobicContact CD2-CD2 4.37Å; L657-L684 HydrophobicContact CD1-CD1 3.67Å; L657-L684 HydrophobicContact CG-CD1 3.74Å; L657-V685 PolarHBondContact N-O 3.06Å; L657-V686 WeakPolarHBondContact O-CA 3.4Å; L657-E687 PolarHBondContact O-N 2.82Å; L657-F703 HydrophobicContact CD1-CE1 4.25Å; L657-F703 HydrophobicContact CD1-CE2 4.5Å; L657-F703 HydrophobicContact CD1-CZ 3.82Å
658E88.6Confident78.1Confident102 Ų10277.1 Ų77.148%0.47737%0.374SS..EExtended strand (participates in β ladder)trans-97.9107.5176.2-67.9176.3-158.900109.7T656 Q671 E687 I689T656-E658 HydrophobicContact CG2-CG 4.32Å; E658-Q671 PolarHBondContact O-NE2 2.73Å; E658-E687 CarbonylContact C-O 3.56Å; E658-E687 WeakPolarHBondContact CA-O 3.34Å; E658-E687 HydrophobicContact CG-CB 4.43Å; E658-I689 HydrophobicContact CB-CD1 4.35Å; E658-I689 HydrophobicContact CB-CG1 4.36Å
659V89.4Confident80Confident0 Ų068.3 Ų68.30%033%0.333CS..EExtended strand (participates in β ladder)trans-126.7144.2-167.8-66.10000112.8L657 L664 D667 V686 E687 F688 I689 F703L657-V659 HydrophobicContact CB-CG1 4.4Å; V659-L664 HydrophobicContact CB-CD1 4.05Å; V659-L664 HydrophobicContact CG2-CD1 3.84Å; V659-D667 HydrophobicContact CB-CB 4.3Å; V659-D667 HydrophobicContact CG1-CB 4.01Å; V659-V686 HydrophobicContact CG2-CG1 3.94Å; V659-E687 PolarHBondContact N-O 3.22Å; V659-F688 HydrophobicContact CG2-CD1 3.77Å; V659-F688 HydrophobicContact CG2-CE1 3.69Å; V659-F688 HydrophobicContact CG2-CZ 4.43Å; V659-F688 WeakPolarHBondContact O-CA 3.45Å; V659-I689 PolarHBondContact O-N 3.46Å; V659-F703 HydrophobicContact CG1-CE2 4.45Å; V659-F703 HydrophobicContact CG2-CD2 4.24Å; V659-F703 HydrophobicContact CG2-CE2 4.42Å
660R88.8Confident82Confident89 Ų8969.7 Ų69.734%0.33632%0.317SS..  trans-92.8135170.9-63.9168.8-68.6168.53.9109.5S662 H663 L664 D667 I689R660-S662 PolarHBondContact O-N 2.91Å; R660-S662 VanDerWaalsContact O-N 3.16Å; R660-H663 HydrophobicContact CB-CB 4.47Å; R660-H663 CarbonylContact O-C 3.59Å; R660-H663 PolarHBondContact O-N 3.19Å; R660-L664 WeakPolarHBondContact O-CA 3.38Å; R660-L664 PolarHBondContact O-N 3.35Å; R660-L664 VanDerWaalsContact O-N 3.08Å; R660-D667 WeakPolarHBondContact CB-OD2 3.49Å; R660-D667 WeakPolarHBondContact CG-OD2 3.46Å; R660-D667 IonicContact CZ-OD1 2.87Å; R660-D667 IonicContact CZ-OD2 3.91Å; R660-D667 PolarHBondContact N-OD2 2.96Å; R660-D667 IonicContact NE-OD1 3.67Å; R660-D667 IonicContact NE-OD2 3.51Å; R660-D667 PolarHBondContact NE-OD2 3.01Å; R660-D667 IonicContact NH2-OD1 3.4Å; R660-D667 PolarHBondContact NH2-OD1 3.07Å; R660-D667 IonicContact NH2-OD2 2.88Å; R660-D667 PolarHBondContact NH2-OD2 3.16Å; R660-I689 HydrophobicContact CG-CB 4.14Å; R660-I689 HydrophobicContact CG-CD1 3.77Å; R660-I689 HydrophobicContact CG-CG2 4.5Å
661R83.3Confident84.2Confident78 Ų7860.1 Ų60.129%0.29428%0.282SS..G310 helixtrans-55.6-34.5176.2-69.2-169.1-178.9-92.6-6113.4H663 F688 E691 E702 G995R661-H663 VanDerWaalsContact C-N 3.32Å; R661-H663 PolarHBondContact O-N 2.83Å; R661-F688 HydrophobicContact CG-CD1 3.66Å; R661-F688 HydrophobicContact CG-CE1 3.83Å; R661-F688 HydrophobicContact CG-CG 4.39Å; R661-E691 IonicContact CZ-OE1 3.3Å; R661-E691 IonicContact CZ-OE2 2.63Å; R661-E691 IonicContact NE-OE1 2.73Å; R661-E691 PolarHBondContact NE-OE1 3.32Å; R661-E691 IonicContact NE-OE2 2.79Å; R661-E691 IonicContact NH2-OE1 3.55Å; R661-E691 IonicContact NH2-OE2 3.17Å; R661-E691 PolarHBondContact NH2-OE2 3.16Å; R661-E702 IonicContact CZ-OE1 2.82Å; R661-E702 IonicContact CZ-OE2 3.94Å; R661-E702 VanDerWaalsContact NH1-CD 3.32Å; R661-E702 IonicContact NH1-OE1 3.59Å; R661-E702 PolarHBondContact NH1-OE1 3.34Å; R661-E702 IonicContact NH1-OE2 3.71Å; R661-E702 PolarHBondContact NH1-OE2 2.63Å; R661-E702 IonicContact NH2-OE1 2.7Å; R661-E702 PolarHBondContact NH2-OE1 3.05Å; R661-E702 IonicContact NH2-OE2 3.44Å; R661-E702 PolarHBondContact NH2-OE2 2.79Å; R661-G995 VanDerWaalsContact CZ-CA 3.48Å
662S84.4Confident86Confident96 Ų9655.6 Ų55.667%0.67126%0.26SS*.G310 helixtrans-77.1-13.5179.452.10000114.7R660R660-S662 PolarHBondContact O-N 2.91Å; R660-S662 VanDerWaalsContact O-N 3.16Å
663H89.6Confident87.7Confident74 Ų7451.2 Ų51.234%0.34324%0.243SC..G310 helixtrans-139.539.3-175.4-60.475.9000110.5R660 R661 V665 E666 D667R660-H663 HydrophobicContact CB-CB 4.47Å; R660-H663 CarbonylContact O-C 3.59Å; R660-H663 PolarHBondContact O-N 3.19Å; R661-H663 VanDerWaalsContact C-N 3.32Å; R661-H663 PolarHBondContact O-N 2.83Å; H663-V665 PolarHBondContact O-N 3.24Å; H663-E666 HydrophobicContact CB-CB 4.45Å; H663-E666 IonicContact CD2-OE2 3.44Å; H663-E666 PolarHBondContact CD2-OE2 2.63Å; H663-E666 PolarHBondContact O-N 3.16Å; H663-D667 WeakPolarHBondContact O-CB 3.42Å; H663-D667 PolarHBondContact O-N 3.5Å
664L90.4Very high88.8Confident6 Ų654 Ų543%0.03125%0.25CS..Hα-helixtrans-57.4-51.2-168178.861000112.3V659 R660 T668 F688 F703 C706 I707V659-L664 HydrophobicContact CB-CD1 4.05Å; V659-L664 HydrophobicContact CG2-CD1 3.84Å; R660-L664 WeakPolarHBondContact O-CA 3.38Å; R660-L664 PolarHBondContact O-N 3.35Å; R660-L664 VanDerWaalsContact O-N 3.08Å; L664-T668 VanDerWaalsContact O-CB 3.31Å; L664-T668 WeakPolarHBondContact O-CB 3.43Å; L664-T668 PolarHBondContact O-N 3.12Å; L664-T668 VanDerWaalsContact O-N 3.12Å; L664-T668 PolarHBondContact O-OG1 3.34Å; L664-F688 HydrophobicContact CD1-CE1 4.11Å; L664-F703 HydrophobicContact CD1-CD2 3.79Å; L664-F703 HydrophobicContact CD1-CE2 3.81Å; L664-C706 HydrophobicContact CD2-CB 3.54Å; L664-I707 HydrophobicContact CD2-CB 3.99Å; L664-I707 HydrophobicContact CG-CB 4.31Å; L664-I707 HydrophobicContact CG-CG1 4.42Å
665V91.2Very high89.4Confident7 Ų750.4 Ų50.44%0.04224%0.24CC..Hα-helixtrans-68.8-43.1-177.5179.30000111.1H663 T668 M669 I707 E710 M711 Y716H663-V665 PolarHBondContact O-N 3.24Å; V665-T668 PolarHBondContact O-N 2.83Å; V665-M669 HydrophobicContact CG1-CG 4.07Å; V665-M669 WeakPolarHBondContact O-CB 3.45Å; V665-M669 WeakPolarHBondContact O-CG 3.45Å; V665-M669 PolarHBondContact O-N 2.78Å; V665-I707 HydrophobicContact CG2-CG1 4.29Å; V665-E710 HydrophobicContact CG2-CB 4.12Å; V665-E710 VanDerWaalsContact CG2-CD 3.42Å; V665-E710 HydrophobicContact CG2-CG 3.89Å; V665-E710 WeakPolarHBondContact CG2-OE1 3.46Å; V665-M711 HydrophobicContact CG1-CE 4.4Å; V665-M711 HydrophobicContact CG1-CG 4.07Å; V665-M711 HydrophobicContact CG1-SD 4.31Å; V665-M711 HydrophobicContact CG2-CG 3.73Å; V665-Y716 HydrophobicContact CG1-CE2 4.26Å; V665-Y716 VanDerWaalsContact CG1-OH 3.3Å; V665-Y716 WeakPolarHBondContact CG1-OH 3.42Å
666E91.3Very high89.3Confident111 Ų11155.6 Ų55.652%0.51926%0.263SS..Hα-helixtrans-61-51.4179.7-170.9-164.2150.300111.8H663 T668 M669 R670H663-E666 HydrophobicContact CB-CB 4.45Å; H663-E666 IonicContact CD2-OE2 3.44Å; H663-E666 PolarHBondContact CD2-OE2 2.63Å; H663-E666 PolarHBondContact O-N 3.16Å; E666-T668 VanDerWaalsContact C-N 3.33Å; E666-T668 PolarHBondContact O-N 3.34Å; E666-M669 PolarHBondContact O-N 3Å; E666-R670 WeakPolarHBondContact O-CB 3.46Å; E666-R670 PolarHBondContact O-N 3.37Å
667D93.3Very high88.9Confident0 Ų058.4 Ų58.40%027%0.271CS..Hα-helixtrans-63.8-39.6-178.8-73.8-24000111.6V659 R660 H663 R670 Q671V659-D667 HydrophobicContact CB-CB 4.3Å; V659-D667 HydrophobicContact CG1-CB 4.01Å; R660-D667 WeakPolarHBondContact CB-OD2 3.49Å; R660-D667 WeakPolarHBondContact CG-OD2 3.46Å; R660-D667 IonicContact CZ-OD1 2.87Å; R660-D667 IonicContact CZ-OD2 3.91Å; R660-D667 PolarHBondContact N-OD2 2.96Å; R660-D667 IonicContact NE-OD1 3.67Å; R660-D667 IonicContact NE-OD2 3.51Å; R660-D667 PolarHBondContact NE-OD2 3.01Å; R660-D667 IonicContact NH2-OD1 3.4Å; R660-D667 PolarHBondContact NH2-OD1 3.07Å; R660-D667 IonicContact NH2-OD2 2.88Å; R660-D667 PolarHBondContact NH2-OD2 3.16Å; H663-D667 WeakPolarHBondContact O-CB 3.42Å; H663-D667 PolarHBondContact O-N 3.5Å; D667-R670 IonicContact OD1-CZ 3.54Å; D667-R670 VanDerWaalsContact OD1-CZ 3.25Å; D667-R670 IonicContact OD1-NH1 3.84Å; D667-R670 PolarHBondContact OD1-NH1 3.38Å; D667-R670 IonicContact OD1-NH2 2.89Å; D667-R670 PolarHBondContact OD1-NH2 3.42Å; D667-Q671 WeakPolarHBondContact O-CG 3.5Å; D667-Q671 PolarHBondContact O-N 3.45Å; D667-Q671 VanDerWaalsContact O-N 3.16Å; D667-Q671 PolarHBondContact O-NE2 3.1Å
668T93.3Very high88.3Confident0 Ų059.9 Ų59.90%028%0.282CS..Hα-helixtrans-64.4-52.8177-59.10000111.2L657 L664 V665 E666 R670 Q671 L672 F703 I707 L747L657-T668 HydrophobicContact CD1-CG2 4.2Å; L664-T668 VanDerWaalsContact O-CB 3.31Å; L664-T668 WeakPolarHBondContact O-CB 3.43Å; L664-T668 PolarHBondContact O-N 3.12Å; L664-T668 VanDerWaalsContact O-N 3.12Å; L664-T668 PolarHBondContact O-OG1 3.34Å; V665-T668 PolarHBondContact O-N 2.83Å; E666-T668 VanDerWaalsContact C-N 3.33Å; E666-T668 PolarHBondContact O-N 3.34Å; T668-R670 VanDerWaalsContact C-N 3.29Å; T668-R670 PolarHBondContact O-N 2.81Å; T668-Q671 PolarHBondContact O-N 2.99Å; T668-L672 HydrophobicContact CG2-CD1 3.84Å; T668-L672 HydrophobicContact CG2-CG 4.18Å; T668-L672 WeakPolarHBondContact O-CG 3.29Å; T668-L672 PolarHBondContact O-N 2.81Å; T668-F703 HydrophobicContact CG2-CE2 4.45Å; T668-F703 HydrophobicContact CG2-CZ 3.94Å; T668-F703 WeakPolarHBondContact OG1-CE2 3.37Å; T668-I707 HydrophobicContact CG2-CD1 3.52Å; T668-L747 HydrophobicContact CG2-CD2 4.17Å
669M91.8Very high87.8Confident8 Ų856.6 Ų56.64%0.03927%0.267CS..Hα-helixtrans-64.1-36.1-177.1-67.9-66.5-80.300111.3V665 E666 R673 M711 D740 F743V665-M669 HydrophobicContact CG1-CG 4.07Å; V665-M669 WeakPolarHBondContact O-CB 3.45Å; V665-M669 WeakPolarHBondContact O-CG 3.45Å; V665-M669 PolarHBondContact O-N 2.78Å; E666-M669 PolarHBondContact O-N 3Å; M669-R673 WeakPolarHBondContact O-CB 3.3Å; M669-R673 WeakPolarHBondContact O-CG 3.42Å; M669-R673 PolarHBondContact O-N 3.2Å; M669-R673 VanDerWaalsContact O-N 3.08Å; M669-R673 PolarHBondContact O-NE 3.4Å; M669-M711 HydrophobicContact SD-CE 4.28Å; M669-D740 HydrophobicContact CE-CB 3.85Å; M669-D740 VanDerWaalsContact CE-OD1 3.27Å; M669-D740 WeakPolarHBondContact CE-OD1 3.38Å; M669-F743 HydrophobicContact CE-CB 3.79Å; M669-F743 HydrophobicContact CE-CD2 4.25Å; M669-F743 HydrophobicContact CE-CG 4.42Å; M669-F743 HydrophobicContact SD-CB 3.78Å
670R93Very high87.5Confident97 Ų9756.8 Ų56.837%0.36627%0.269SS..Hα-helixtrans-60.6-47.5173.7-176.1179.167.3-120.4-5.7111.7E666 D667 T668 R673 Q674E666-R670 WeakPolarHBondContact O-CB 3.46Å; E666-R670 PolarHBondContact O-N 3.37Å; D667-R670 IonicContact OD1-CZ 3.54Å; D667-R670 VanDerWaalsContact OD1-CZ 3.25Å; D667-R670 IonicContact OD1-NH1 3.84Å; D667-R670 PolarHBondContact OD1-NH1 3.38Å; D667-R670 IonicContact OD1-NH2 2.89Å; D667-R670 PolarHBondContact OD1-NH2 3.42Å; T668-R670 VanDerWaalsContact C-N 3.29Å; T668-R670 PolarHBondContact O-N 2.81Å; R670-R673 PolarHBondContact O-N 2.88Å; R670-Q674 WeakPolarHBondContact O-CG 3.15Å; R670-Q674 PolarHBondContact O-N 3.45Å
671Q93.4Very high86.9Confident35 Ų3555.6 Ų55.616%0.16427%0.266CS..Hα-helixtrans-69.5-42.5-179.2-76.9172.182.400112.6L657 E658 D667 T668 R673 Q674 A675L657-Q671 HydrophobicContact CD2-CB 3.74Å; E658-Q671 PolarHBondContact O-NE2 2.73Å; D667-Q671 WeakPolarHBondContact O-CG 3.5Å; D667-Q671 PolarHBondContact O-N 3.45Å; D667-Q671 VanDerWaalsContact O-N 3.16Å; D667-Q671 PolarHBondContact O-NE2 3.1Å; T668-Q671 PolarHBondContact O-N 2.99Å; Q671-R673 VanDerWaalsContact C-N 3.26Å; Q671-R673 PolarHBondContact O-N 3.04Å; Q671-Q674 PolarHBondContact O-N 3.3Å; Q671-A675 PolarHBondContact O-N 2.6Å
672L91.6Very high86.6Confident2 Ų252.1 Ų52.11%0.0125%0.253CS..Hα-helixtrans-62.2-34.5175.8-69179.6000112.4L655 L657 T668 Q674 L680 F743 L747 L750L655-L672 HydrophobicContact CD2-CD2 4.46Å; L657-L672 HydrophobicContact CD2-CD2 4.37Å; T668-L672 HydrophobicContact CG2-CD1 3.84Å; T668-L672 HydrophobicContact CG2-CG 4.18Å; T668-L672 WeakPolarHBondContact O-CG 3.29Å; T668-L672 PolarHBondContact O-N 2.81Å; L672-Q674 VanDerWaalsContact C-N 3.28Å; L672-Q674 PolarHBondContact O-N 3.06Å; L672-L680 HydrophobicContact CD2-CD2 3.92Å; L672-F743 HydrophobicContact CB-CD1 3.66Å; L672-F743 HydrophobicContact CB-CE1 4.06Å; L672-F743 HydrophobicContact CB-CG 4.35Å; L672-F743 HydrophobicContact CD1-CB 4.36Å; L672-F743 HydrophobicContact CD1-CD1 4.47Å; L672-F743 VanDerWaalsContact O-CE1 3.25Å; L672-F743 WeakPolarHBondContact O-CE1 3.37Å; L672-L747 HydrophobicContact CD1-CD1 4.43Å; L672-L747 HydrophobicContact CD1-CD2 3.9Å; L672-L747 HydrophobicContact CD1-CG 3.93Å; L672-L750 HydrophobicContact CD2-CD1 4.43Å
673R90.9Very high86.3Confident113 Ų11349.2 Ų49.243%0.42623%0.232SC..Hα-helixtrans-67.3-27.1173.9-77.1178.5-127.9-87.58.9113.6M669 R670 Q671 D740 F743M669-R673 WeakPolarHBondContact O-CB 3.3Å; M669-R673 WeakPolarHBondContact O-CG 3.42Å; M669-R673 PolarHBondContact O-N 3.2Å; M669-R673 VanDerWaalsContact O-N 3.08Å; M669-R673 PolarHBondContact O-NE 3.4Å; R670-R673 PolarHBondContact O-N 2.88Å; Q671-R673 VanDerWaalsContact C-N 3.26Å; Q671-R673 PolarHBondContact O-N 3.04Å; R673-D740 IonicContact CZ-OD1 3.57Å; R673-D740 IonicContact NH1-OD1 2.79Å; R673-D740 PolarHBondContact NH1-OD1 3.47Å; R673-D740 IonicContact NH2-OD1 3.25Å; R673-D740 PolarHBondContact NH2-OD1 2.72Å; R673-F743 HydrophobicContact CB-CE2 4.44Å; R673-F743 HydrophobicContact CB-CZ 4.19Å; R673-F743 HydrophobicContact CG-CD2 4.06Å; R673-F743 HydrophobicContact CG-CE1 4.43Å; R673-F743 HydrophobicContact CG-CE2 3.37Å; R673-F743 HydrophobicContact CG-CZ 3.59Å
674Q88.6Confident86.1Confident147 Ų14746.1 Ų46.169%0.68722%0.217SC*.Hα-helixtrans-92-18.6-179.2-69.8173-2.600113R670 Q671 L672R670-Q674 WeakPolarHBondContact O-CG 3.15Å; R670-Q674 PolarHBondContact O-N 3.45Å; Q671-Q674 PolarHBondContact O-N 3.3Å; L672-Q674 VanDerWaalsContact C-N 3.28Å; L672-Q674 PolarHBondContact O-N 3.06Å
675A86.4Confident85.8Confident28 Ų2848.1 Ų48.123%0.23123%0.23CC..SBendtrans-69143.2-179.400000112.3L655 Q671 D679 L680L655-A675 HydrophobicContact CD1-CB 4.26Å; Q671-A675 PolarHBondContact O-N 2.6Å; A675-D679 HydrophobicContact CB-CB 4.4Å; A675-L680 HydrophobicContact CB-CD2 3.91Å
676E83.3Confident85.5Confident120 Ų12048.1 Ų48.156%0.56123%0.23SC*.  trans-71.6154.9170.9-64.9-169.6170.900111S678 D679 L680E676-S678 PolarHBondContact O-N 2.97Å; E676-D679 PolarHBondContact N-OD2 2.89Å; E676-D679 WeakPolarHBondContact O-CB 3.25Å; E676-D679 PolarHBondContact O-N 2.6Å; E676-L680 PolarHBondContact O-N 3.02Å
677F77.1Confident85.2Confident112 Ų11247.2 Ų47.249%0.49123%0.225SC..THydrogen-bonded Turntrans-61.7-29.4-179.3-165.9-90.1000113.2T863F677-T863 HydrophobicContact CD1-CG2 4.36Å; F677-T863 HydrophobicContact CD2-CG2 3.72Å; F677-T863 HydrophobicContact CE1-CG2 3.93Å; F677-T863 HydrophobicContact CE2-CG2 3.22Å; F677-T863 WeakPolarHBondContact CE2-OG1 3.44Å; F677-T863 HydrophobicContact CG-CG2 4.28Å; F677-T863 HydrophobicContact CZ-CG2 3.34Å; F677-T863 WeakPolarHBondContact CZ-OG1 3.4Å
678S74Confident84.6Confident32 Ų3247.7 Ų47.722%0.22423%0.228CC..THydrogen-bonded Turntrans-68.1-36.5172.447.80000111.9E676 L680 K681E676-S678 PolarHBondContact O-N 2.97Å; S678-L680 VanDerWaalsContact C-N 3.33Å; S678-L680 PolarHBondContact O-N 3.19Å; S678-K681 PolarHBondContact O-N 3.37Å
679D79.4Confident84Confident33 Ų3351.3 Ų51.318%0.17625%0.246CC..G310 helixtrans-67.2-33.7179.1-66.5-36.9000112.3L655 A675 E676 K681 K682L655-D679 HydrophobicContact CD1-CB 4.32Å; A675-D679 HydrophobicContact CB-CB 4.4Å; E676-D679 PolarHBondContact N-OD2 2.89Å; E676-D679 WeakPolarHBondContact O-CB 3.25Å; E676-D679 PolarHBondContact O-N 2.6Å; D679-K681 PolarHBondContact O-N 3.31Å; D679-K682 WeakPolarHBondContact O-CB 3.38Å; D679-K682 WeakPolarHBondContact O-CG 3.36Å; D679-K682 PolarHBondContact O-N 3.19Å; D679-K682 VanDerWaalsContact OD1-CE 3.24Å; D679-K682 WeakPolarHBondContact OD1-CE 3.28Å; D679-K682 IonicContact OD1-NZ 3.58Å; D679-K682 PolarHBondContact OD1-NZ 3.23Å
680L82.4Confident83.1Confident5 Ų560.9 Ų60.93%0.02629%0.288CS..G310 helixtrans-64.2-12.3178.9-61.3-178.7000114.2L655 L672 A675 E676 S678 V746 L750 T863L655-L680 HydrophobicContact CD2-CD2 4.31Å; L672-L680 HydrophobicContact CD2-CD2 3.92Å; A675-L680 HydrophobicContact CB-CD2 3.91Å; E676-L680 PolarHBondContact O-N 3.02Å; S678-L680 VanDerWaalsContact C-N 3.33Å; S678-L680 PolarHBondContact O-N 3.19Å; L680-V746 HydrophobicContact CD1-CG1 4.28Å; L680-V746 HydrophobicContact CD1-CG2 4.25Å; L680-V746 HydrophobicContact CD2-CG1 4.07Å; L680-L750 WeakPolarHBondContact O-CD2 3.47Å; L680-T863 HydrophobicContact CB-CG2 4.09Å; L680-T863 HydrophobicContact CD1-CG2 3.88Å
681K75.8Confident82Confident64 Ų6458.9 Ų58.928%0.27828%0.283SS..G310 helixtrans-96.4-5.5177.1-61.5176.7-174.7173.20113S678 D679 T863S678-K681 PolarHBondContact O-N 3.37Å; D679-K681 PolarHBondContact O-N 3.31Å; K681-T863 VanDerWaalsContact CE-O 3.29Å; K681-T863 WeakPolarHBondContact CE-O 3.11Å; K681-T863 WeakPolarHBondContact CG-O 3.02Å
682K78.4Confident80.2Confident5 Ų564.7 Ų64.72%0.02231%0.313CS..SBendtrans-81.6155.7-177-56.2-175.5178.1171.60110.8L640 R652 L655 D679 L684L640-K682 HydrophobicContact CD2-CB 4.39Å; L640-K682 HydrophobicContact CD2-CD 4.46Å; L640-K682 HydrophobicContact CD2-CG 3.91Å; R652-K682 WeakPolarHBondContact O-CD 3.26Å; R652-K682 WeakPolarHBondContact O-CE 3.32Å; R652-K682 PolarHBondContact O-NZ 3.05Å; L655-K682 HydrophobicContact CB-CB 4.31Å; D679-K682 WeakPolarHBondContact O-CB 3.38Å; D679-K682 WeakPolarHBondContact O-CG 3.36Å; D679-K682 PolarHBondContact O-N 3.19Å; D679-K682 VanDerWaalsContact OD1-CE 3.24Å; D679-K682 WeakPolarHBondContact OD1-CE 3.28Å; D679-K682 IonicContact OD1-NZ 3.58Å; D679-K682 PolarHBondContact OD1-NZ 3.23Å; K682-L684 PolarHBondContact O-N 3.21Å
683P77.3Confident78.5Confident35 Ų3567.4 Ų67.423%0.22733%0.332CS..PPolyproline II helixtrans-58.7138.9173.5-17.728.3000110.3L640 F654 L655L640-P683 HydrophobicContact CD1-CG 3.59Å; F654-P683 WeakPolarHBondContact CA-O 3.47Å; F654-P683 HydrophobicContact CD1-CB 4.01Å; F654-P683 HydrophobicContact CD1-CG 4.38Å; F654-P683 HydrophobicContact CE1-CB 4.35Å; L655-P683 PolarHBondContact N-O 3.35Å
684L85.4Confident76.5Confident8 Ų871 Ų714%0.04235%0.351CS..EExtended strand (participates in β ladder)trans-90.3127.3-172.2178.267.8000110.5L655 L657 K682 V686 T700 F703 F704 N754L655-L684 HydrophobicContact CB-CD1 4.44Å; L655-L684 HydrophobicContact CD2-CD1 3.99Å; L655-L684 HydrophobicContact CG-CD1 4.04Å; L655-L684 WeakPolarHBondContact O-CA 3.45Å; L657-L684 HydrophobicContact CD1-CD1 3.67Å; L657-L684 HydrophobicContact CG-CD1 3.74Å; K682-L684 PolarHBondContact O-N 3.21Å; L684-V686 HydrophobicContact CD1-CG2 4.25Å; L684-V686 HydrophobicContact CD2-CG2 3.97Å; L684-V686 HydrophobicContact CG-CG2 3.89Å; L684-T700 HydrophobicContact CD2-CG2 3.99Å; L684-T700 HydrophobicContact CG-CG2 4.35Å; L684-F703 HydrophobicContact CD2-CD1 4.46Å; L684-F703 HydrophobicContact CD2-CE1 4.26Å; L684-F704 HydrophobicContact CD2-CE1 4.24Å; L684-F704 HydrophobicContact CD2-CE2 3.84Å; L684-F704 HydrophobicContact CD2-CZ 3.45Å; L684-F704 VanDerWaalsContact CD2-CZ 3.45Å; L684-N754 PolarHBondContact N-OD1 3.4Å
685V83.8Confident74.7Confident48 Ų4873.3 Ų73.329%0.29136%0.361SS..EExtended strand (participates in β ladder)trans-115132.2168.6178.60000107.8F654 L655 T656 L657 E687F654-V685 HydrophobicContact CB-CG2 3.87Å; F654-V685 HydrophobicContact CD1-CG2 3.9Å; F654-V685 HydrophobicContact CG-CG2 3.86Å; L655-V685 PolarHBondContact O-N 2.73Å; T656-V685 CarbonylContact C-O 3.57Å; T656-V685 WeakPolarHBondContact CA-O 3.34Å; L657-V685 PolarHBondContact N-O 3.06Å; V685-E687 HydrophobicContact CG1-CG 4.5Å
686V85.1Confident73.2Confident7 Ų773.2 Ų73.24%0.04236%0.361CS..EExtended strand (participates in β ladder)trans-120.2134.3179.6-175.40000109.3L657 V659 L684 V699 T700 F703L657-V686 WeakPolarHBondContact O-CA 3.4Å; V659-V686 HydrophobicContact CG2-CG1 3.94Å; L684-V686 HydrophobicContact CD1-CG2 4.25Å; L684-V686 HydrophobicContact CD2-CG2 3.97Å; L684-V686 HydrophobicContact CG-CG2 3.89Å; V686-V699 HydrophobicContact CB-CG1 4.37Å; V686-V699 WeakPolarHBondContact O-CG1 3.32Å; V686-T700 HydrophobicContact CG2-CG2 4.28Å; V686-F703 HydrophobicContact CB-CB 4.24Å; V686-F703 HydrophobicContact CB-CG 4.3Å; V686-F703 HydrophobicContact CG1-CB 3.84Å; V686-F703 HydrophobicContact CG1-CD2 3.71Å; V686-F703 HydrophobicContact CG1-CE2 4.43Å; V686-F703 HydrophobicContact CG1-CG 3.78Å; V686-F703 HydrophobicContact CG2-CB 4.09Å; V686-F703 HydrophobicContact CG2-CD1 3.77Å; V686-F703 HydrophobicContact CG2-CD2 4.34Å; V686-F703 HydrophobicContact CG2-CE1 4.3Å; V686-F703 HydrophobicContact CG2-CG 3.79Å
687E84.3Confident72Confident92 Ų9269.5 Ų69.543%0.4335%0.354SS..EExtended strand (participates in β ladder)trans-127123.8178.9-64.9-177.4-168.900109.9L657 E658 V659 V685L657-E687 PolarHBondContact O-N 2.82Å; E658-E687 CarbonylContact C-O 3.56Å; E658-E687 WeakPolarHBondContact CA-O 3.34Å; E658-E687 HydrophobicContact CG-CB 4.43Å; V659-E687 PolarHBondContact N-O 3.22Å; V685-E687 HydrophobicContact CG1-CG 4.5Å
688F82.4Confident71.4Confident11 Ų1164.2 Ų64.25%0.04833%0.331CS..EExtended strand (participates in β ladder)trans-85.6120.5172.4-76.8-70.3000110.1V659 R661 L664 K690 E691 V699 F703V659-F688 HydrophobicContact CG2-CD1 3.77Å; V659-F688 HydrophobicContact CG2-CE1 3.69Å; V659-F688 HydrophobicContact CG2-CZ 4.43Å; V659-F688 WeakPolarHBondContact O-CA 3.45Å; R661-F688 HydrophobicContact CG-CD1 3.66Å; R661-F688 HydrophobicContact CG-CE1 3.83Å; R661-F688 HydrophobicContact CG-CG 4.39Å; L664-F688 HydrophobicContact CD1-CE1 4.11Å; F688-K690 PolarHBondContact O-N 2.79Å; F688-E691 HydrophobicContact CB-CB 4.14Å; F688-E691 HydrophobicContact CB-CG 4.19Å; F688-E691 PolarHBondContact O-N 2.98Å; F688-V699 HydrophobicContact CD2-CG1 3.88Å; F688-V699 HydrophobicContact CE2-CG1 4.04Å; F688-F703 HydrophobicContact CZ-CB 4.49Å
689I80.6Confident71.5Confident76 Ų7663 Ų6339%0.3932%0.322SS..THydrogen-bonded Turntrans-60.7126.1-176-70162.5000110.2E658 V659 R660E658-I689 HydrophobicContact CB-CD1 4.35Å; E658-I689 HydrophobicContact CB-CG1 4.36Å; V659-I689 PolarHBondContact O-N 3.46Å; R660-I689 HydrophobicContact CG-CB 4.14Å; R660-I689 HydrophobicContact CG-CD1 3.77Å; R660-I689 HydrophobicContact CG-CG2 4.5Å
690K71.1Confident71.6Confident209 Ų20962 Ų6291%0.90932%0.318SS*.THydrogen-bonded Turntrans78.69.3-175-55168.2179.9-178.30115.9F688F688-K690 PolarHBondContact O-N 2.79Å
691E71.1Confident71.5Confident55 Ų5562.2 Ų62.226%0.25732%0.32SS..  trans-105.9132.7169-66.2176.1-160.100109.4R661 F688 C693R661-E691 IonicContact CZ-OE1 3.3Å; R661-E691 IonicContact CZ-OE2 2.63Å; R661-E691 IonicContact NE-OE1 2.73Å; R661-E691 PolarHBondContact NE-OE1 3.32Å; R661-E691 IonicContact NE-OE2 2.79Å; R661-E691 IonicContact NH2-OE1 3.55Å; R661-E691 IonicContact NH2-OE2 3.17Å; R661-E691 PolarHBondContact NH2-OE2 3.16Å; F688-E691 HydrophobicContact CB-CB 4.14Å; F688-E691 HydrophobicContact CB-CG 4.19Å; F688-E691 PolarHBondContact O-N 2.98Å; E691-C693 PolarHBondContact O-N 3.1Å
692I55.8Low71.8Confident156 Ų15659.6 Ų59.680%0.831%0.309SS*.  trans-81.3116.7175.5-56.8172000107.5F694I692-F694 HydrophobicContact CG2-CD2 4.31Å; I692-F694 HydrophobicContact CG2-CE2 4.42Å
693C55Low72.2Confident60 Ų6059.4 Ų59.441%0.40531%0.308SS..  trans-140.5112.4167.4-96.10000111.1E691 V699E691-C693 PolarHBondContact O-N 3.1Å; C693-V699 HydrophobicContact CB-CG2 4.28Å
694F48.9Very low72.8Confident189 Ų18957.8 Ų57.883%0.82930%0.297SS*.SBendtrans-85.7115.4162.4-79.4-93.2000107.6I692I692-F694 HydrophobicContact CG2-CD2 4.31Å; I692-F694 HydrophobicContact CG2-CE2 4.42Å
695E51.6Low72.9Confident194 Ų19458.6 Ų58.691%0.90730%0.301SS*.SBendtrans44.490.6166.4-64.8-174.3157.500116.5
696A53.9Low73.1Confident27 Ų2757.2 Ų57.222%0.22329%0.293CS..  trans-14794.4-169.200000113.4G698 V699 C967A696-G698 PolarHBondContact O-N 3.25Å; A696-V699 HydrophobicContact CB-CG2 3.71Å; A696-V699 WeakPolarHBondContact O-CB 3.43Å; A696-V699 PolarHBondContact O-N 2.93Å; A696-C967 WeakPolarHBondContact CA-SG 3.33Å; A696-C967 WeakPolarHBondContact CB-SG 3.3Å
697G58.3Low73.4Confident41 Ų4156.9 Ų56.942%0.42329%0.291SS..Hα-helixtrans-59.9-10.4177.100000116K756G697-K756 WeakPolarHBondContact O-CE 3.37Å; G697-K756 PolarHBondContact O-NZ 3Å
698G64.1Low73.8Confident1 Ų152.6 Ų52.61%0.0127%0.271CS..Hα-helixtrans-78.4-27.4171.500000113.5A696 T700 S701 E702 C967A696-G698 PolarHBondContact O-N 3.25Å; G698-T700 VanDerWaalsContact C-N 3.34Å; G698-S701 WeakPolarHBondContact O-CB 3.5Å; G698-S701 PolarHBondContact O-N 3.02Å; G698-E702 PolarHBondContact O-N 2.99Å; G698-C967 VanDerWaalsContact CA-SG 3.58Å; G698-C967 PolarHBondContact N-SG 2.92Å
699V76.5Confident74.1Confident6 Ų656.6 Ų56.64%0.03629%0.29CS..Hα-helixtrans-64.1-42.2173-179.90000110.2V686 F688 C693 A696 S701 E702 F703 F996V686-V699 HydrophobicContact CB-CG1 4.37Å; V686-V699 WeakPolarHBondContact O-CG1 3.32Å; F688-V699 HydrophobicContact CD2-CG1 3.88Å; F688-V699 HydrophobicContact CE2-CG1 4.04Å; C693-V699 HydrophobicContact CB-CG2 4.28Å; A696-V699 HydrophobicContact CB-CG2 3.71Å; A696-V699 WeakPolarHBondContact O-CB 3.43Å; A696-V699 PolarHBondContact O-N 2.93Å; V699-S701 VanDerWaalsContact C-N 3.33Å; V699-S701 PolarHBondContact O-N 3.31Å; V699-E702 PolarHBondContact O-N 3.45Å; V699-F703 WeakPolarHBondContact O-CB 3.4Å; V699-F703 PolarHBondContact O-N 2.94Å; V699-F996 HydrophobicContact CB-CE2 4.06Å; V699-F996 HydrophobicContact CB-CZ 4.49Å; V699-F996 HydrophobicContact CG1-CE2 4.19Å; V699-F996 HydrophobicContact CG2-CD2 4.2Å; V699-F996 HydrophobicContact CG2-CE2 3.59Å; V699-F996 HydrophobicContact CG2-CZ 3.97Å
700T81.4Confident74.6Confident12 Ų1256.6 Ų56.67%0.07429%0.288CS..Hα-helixtrans-64.2-36.1175.6-480000112.3L684 V686 G698 F704L684-T700 HydrophobicContact CD2-CG2 3.99Å; L684-T700 HydrophobicContact CG-CG2 4.35Å; V686-T700 HydrophobicContact CG2-CG2 4.28Å; G698-T700 VanDerWaalsContact C-N 3.34Å; T700-F704 HydrophobicContact CG2-CD2 3.92Å; T700-F704 HydrophobicContact CG2-CE2 3.63Å; T700-F704 WeakPolarHBondContact O-CD2 3.24Å; T700-F704 PolarHBondContact O-N 2.88Å; T700-F704 VanDerWaalsContact O-N 3.13Å
701S80.3Confident75.7Confident11 Ų1146.7 Ų46.78%0.07725%0.245CC..Hα-helixtrans-63.4-49.3173.7-61.50000111.1G698 V699 F703 F704 H705 K756 G934G698-S701 WeakPolarHBondContact O-CB 3.5Å; G698-S701 PolarHBondContact O-N 3.02Å; V699-S701 VanDerWaalsContact C-N 3.33Å; V699-S701 PolarHBondContact O-N 3.31Å; S701-F703 VanDerWaalsContact C-N 3.34Å; S701-F703 PolarHBondContact O-N 3.33Å; S701-F704 PolarHBondContact O-N 3.38Å; S701-H705 PolarHBondContact O-N 2.81Å; S701-K756 PolarHBondContact OG-NZ 3.47Å; S701-G934 CarbonylContact C-O 3.55Å; S701-G934 WeakPolarHBondContact CB-O 3.33Å
702E81.7Confident76.7Confident9 Ų944.6 Ų44.64%0.04224%0.236CC..Hα-helixtrans-61.2-44.6179.6-169.7-165.8-166.400110.8R661 G698 V699 F704 H705 C706 G934 G995 F996R661-E702 IonicContact CZ-OE1 2.82Å; R661-E702 IonicContact CZ-OE2 3.94Å; R661-E702 VanDerWaalsContact NH1-CD 3.32Å; R661-E702 IonicContact NH1-OE1 3.59Å; R661-E702 PolarHBondContact NH1-OE1 3.34Å; R661-E702 IonicContact NH1-OE2 3.71Å; R661-E702 PolarHBondContact NH1-OE2 2.63Å; R661-E702 IonicContact NH2-OE1 2.7Å; R661-E702 PolarHBondContact NH2-OE1 3.05Å; R661-E702 IonicContact NH2-OE2 3.44Å; R661-E702 PolarHBondContact NH2-OE2 2.79Å; G698-E702 PolarHBondContact O-N 2.99Å; V699-E702 PolarHBondContact O-N 3.45Å; E702-F704 VanDerWaalsContact C-N 3.34Å; E702-F704 PolarHBondContact O-N 2.8Å; E702-H705 PolarHBondContact O-N 2.94Å; E702-C706 PolarHBondContact O-N 3.4Å; E702-C706 PolarHBondContact O-SG 3.18Å; E702-G934 WeakPolarHBondContact CA-O 3.24Å; E702-G934 PolarHBondContact N-O 3.47Å; E702-G995 PolarHBondContact OE1-N 2.89Å; E702-G995 VanDerWaalsContact OE1-N 3.09Å; E702-F996 HydrophobicContact CB-CE2 4.41Å; E702-F996 HydrophobicContact CB-CZ 4.34Å; E702-F996 WeakPolarHBondContact OE2-CD2 3.39Å; E702-F996 WeakPolarHBondContact OE2-CE2 3.29Å; E702-F996 WeakPolarHBondContact OE2-CZ 3.24Å
703F88.4Confident78.3Confident0 Ų038 Ų380%021%0.205CC..Hα-helixtrans-52.3-51.9174.8166.3-100.3000111.9L657 V659 L664 T668 L684 V686 F688 V699 S701 H705 C706 I707 L747L657-F703 HydrophobicContact CD1-CE1 4.25Å; L657-F703 HydrophobicContact CD1-CE2 4.5Å; L657-F703 HydrophobicContact CD1-CZ 3.82Å; V659-F703 HydrophobicContact CG1-CE2 4.45Å; V659-F703 HydrophobicContact CG2-CD2 4.24Å; V659-F703 HydrophobicContact CG2-CE2 4.42Å; L664-F703 HydrophobicContact CD1-CD2 3.79Å; L664-F703 HydrophobicContact CD1-CE2 3.81Å; T668-F703 HydrophobicContact CG2-CE2 4.45Å; T668-F703 HydrophobicContact CG2-CZ 3.94Å; T668-F703 WeakPolarHBondContact OG1-CE2 3.37Å; L684-F703 HydrophobicContact CD2-CD1 4.46Å; L684-F703 HydrophobicContact CD2-CE1 4.26Å; V686-F703 HydrophobicContact CB-CB 4.24Å; V686-F703 HydrophobicContact CB-CG 4.3Å; V686-F703 HydrophobicContact CG1-CB 3.84Å; V686-F703 HydrophobicContact CG1-CD2 3.71Å; V686-F703 HydrophobicContact CG1-CE2 4.43Å; V686-F703 HydrophobicContact CG1-CG 3.78Å; V686-F703 HydrophobicContact CG2-CB 4.09Å; V686-F703 HydrophobicContact CG2-CD1 3.77Å; V686-F703 HydrophobicContact CG2-CD2 4.34Å; V686-F703 HydrophobicContact CG2-CE1 4.3Å; V686-F703 HydrophobicContact CG2-CG 3.79Å; F688-F703 HydrophobicContact CZ-CB 4.49Å; V699-F703 WeakPolarHBondContact O-CB 3.4Å; V699-F703 PolarHBondContact O-N 2.94Å; S701-F703 VanDerWaalsContact C-N 3.34Å; S701-F703 PolarHBondContact O-N 3.33Å; F703-H705 PolarHBondContact O-N 2.82Å; F703-C706 PolarHBondContact O-N 3.3Å; F703-I707 HydrophobicContact CE1-CG2 4.27Å; F703-I707 HydrophobicContact CE2-CB 4.49Å; F703-I707 HydrophobicContact CE2-CD1 4.03Å; F703-I707 HydrophobicContact CZ-CD1 3.75Å; F703-I707 HydrophobicContact CZ-CG2 4.3Å; F703-I707 WeakPolarHBondContact O-CB 3.43Å; F703-I707 VanDerWaalsContact O-CG2 3.26Å; F703-I707 WeakPolarHBondContact O-CG2 3.46Å; F703-I707 PolarHBondContact O-N 3.27Å; F703-L747 HydrophobicContact CE1-CD2 4.38Å; F703-L747 HydrophobicContact CZ-CD2 4.4Å
704F89.9Confident79.9Confident1 Ų139.3 Ų39.30%0.00421%0.212CC..Hα-helixtrans-63.7-41.9179.4-80.5-55.3000111.7L684 T700 S701 E702 F708 L750 K756 V758L684-F704 HydrophobicContact CD2-CE1 4.24Å; L684-F704 HydrophobicContact CD2-CE2 3.84Å; L684-F704 HydrophobicContact CD2-CZ 3.45Å; L684-F704 VanDerWaalsContact CD2-CZ 3.45Å; T700-F704 HydrophobicContact CG2-CD2 3.92Å; T700-F704 HydrophobicContact CG2-CE2 3.63Å; T700-F704 WeakPolarHBondContact O-CD2 3.24Å; T700-F704 PolarHBondContact O-N 2.88Å; T700-F704 VanDerWaalsContact O-N 3.13Å; S701-F704 PolarHBondContact O-N 3.38Å; E702-F704 VanDerWaalsContact C-N 3.34Å; E702-F704 PolarHBondContact O-N 2.8Å; F704-F708 HydrophobicContact CB-CD2 4.44Å; F704-F708 HydrophobicContact CD1-CD2 4.27Å; F704-F708 AromaticContact CD1-CE2 3.78Å; F704-F708 HydrophobicContact CD1-CE2 3.78Å; F704-F708 HydrophobicContact CE1-CE2 4.44Å; F704-F708 WeakPolarHBondContact O-CB 3.49Å; F704-F708 WeakPolarHBondContact O-CD2 3.43Å; F704-F708 PolarHBondContact O-N 3.46Å; F704-F708 VanDerWaalsContact O-N 3.12Å; F704-L750 HydrophobicContact CE1-CB 4.3Å; F704-L750 HydrophobicContact CZ-CB 3.91Å; F704-K756 HydrophobicContact CD2-CB 3.66Å; F704-K756 HydrophobicContact CD2-CG 3.84Å; F704-K756 HydrophobicContact CE2-CB 4.02Å; F704-K756 HydrophobicContact CE2-CG 3.98Å; F704-V758 HydrophobicContact CB-CG1 3.7Å; F704-V758 HydrophobicContact CG-CG1 4.26Å
705H86.4Confident81.9Confident25 Ų2539 Ų3912%0.11621%0.211CC..Hα-helixtrans-57.4-52.7175.2177.684.7000111.2S701 E702 F703 E709 L930 D936S701-H705 PolarHBondContact O-N 2.81Å; E702-H705 PolarHBondContact O-N 2.94Å; F703-H705 PolarHBondContact O-N 2.82Å; H705-E709 VanDerWaalsContact O-CB 3.23Å; H705-E709 WeakPolarHBondContact O-CB 3.38Å; H705-E709 PolarHBondContact O-N 2.95Å; H705-L930 HydrophobicContact CB-CD1 4.32Å; H705-D936 IonicContact CE1-OD1 2.6Å; H705-D936 IonicContact ND1-OD1 2.73Å; H705-D936 PolarHBondContact ND1-OD1 3.12Å
706C87.5Confident83.8Confident19 Ų1932.4 Ų32.413%0.12818%0.178CC..Hα-helixtrans-65.5-44.4-177.5-68.10000113.2L664 E702 F703 E709 E710L664-C706 HydrophobicContact CD2-CB 3.54Å; E702-C706 PolarHBondContact O-N 3.4Å; E702-C706 PolarHBondContact O-SG 3.18Å; F703-C706 PolarHBondContact O-N 3.3Å; C706-E709 PolarHBondContact O-N 3.33Å; C706-E710 PolarHBondContact O-N 3.34Å
707I91.7Very high85.6Confident0 Ų035.8 Ų35.80%019%0.189CC..Hα-helixtrans-67.9-39.9-176.8-163.2171000111.4L664 V665 T668 F703 E710 M711 L747L664-I707 HydrophobicContact CD2-CB 3.99Å; L664-I707 HydrophobicContact CG-CB 4.31Å; L664-I707 HydrophobicContact CG-CG1 4.42Å; V665-I707 HydrophobicContact CG2-CG1 4.29Å; T668-I707 HydrophobicContact CG2-CD1 3.52Å; F703-I707 HydrophobicContact CE1-CG2 4.27Å; F703-I707 HydrophobicContact CE2-CB 4.49Å; F703-I707 HydrophobicContact CE2-CD1 4.03Å; F703-I707 HydrophobicContact CZ-CD1 3.75Å; F703-I707 HydrophobicContact CZ-CG2 4.3Å; F703-I707 WeakPolarHBondContact O-CB 3.43Å; F703-I707 VanDerWaalsContact O-CG2 3.26Å; F703-I707 WeakPolarHBondContact O-CG2 3.46Å; F703-I707 PolarHBondContact O-N 3.27Å; I707-E710 PolarHBondContact O-N 3.45Å; I707-M711 HydrophobicContact CD1-SD 4.21Å; I707-M711 HydrophobicContact CG1-CG 4.24Å; I707-M711 HydrophobicContact CG1-SD 3.81Å; I707-M711 WeakPolarHBondContact O-CB 3.27Å; I707-M711 VanDerWaalsContact O-CG 3.26Å; I707-M711 WeakPolarHBondContact O-CG 3.23Å; I707-M711 PolarHBondContact O-N 3.35Å; I707-L747 HydrophobicContact CD1-CD1 3.81Å; I707-L747 HydrophobicContact CD1-CD2 4.34Å
708F92.4Very high87.2Confident3 Ų333.9 Ų33.91%0.01317%0.17CC..Hα-helixtrans-71.9-37.1175.3-77.9-70.2000111.4F704 E710 T712 F744 L747 V758 L760F704-F708 HydrophobicContact CB-CD2 4.44Å; F704-F708 HydrophobicContact CD1-CD2 4.27Å; F704-F708 AromaticContact CD1-CE2 3.78Å; F704-F708 HydrophobicContact CD1-CE2 3.78Å; F704-F708 HydrophobicContact CE1-CE2 4.44Å; F704-F708 WeakPolarHBondContact O-CB 3.49Å; F704-F708 WeakPolarHBondContact O-CD2 3.43Å; F704-F708 PolarHBondContact O-N 3.46Å; F704-F708 VanDerWaalsContact O-N 3.12Å; F708-E710 VanDerWaalsContact C-N 3.28Å; F708-E710 PolarHBondContact O-N 2.95Å; F708-T712 HydrophobicContact CD1-CG2 4.31Å; F708-T712 VanDerWaalsContact O-CB 3.23Å; F708-T712 WeakPolarHBondContact O-CB 3.48Å; F708-T712 VanDerWaalsContact O-CG2 3.24Å; F708-T712 WeakPolarHBondContact O-CG2 3.33Å; F708-T712 PolarHBondContact O-N 3.49Å; F708-T712 PolarHBondContact O-OG1 3.05Å; F708-F744 AromaticContact CD1-CE2 3.79Å; F708-F744 HydrophobicContact CD1-CE2 3.79Å; F708-F744 AromaticContact CD1-CZ 3.95Å; F708-F744 HydrophobicContact CD1-CZ 3.95Å; F708-F744 HydrophobicContact CE1-CD2 4.31Å; F708-F744 HydrophobicContact CE1-CE1 4.39Å; F708-F744 AromaticContact CE1-CE2 3.61Å; F708-F744 HydrophobicContact CE1-CE2 3.61Å; F708-F744 AromaticContact CE1-CZ 3.67Å; F708-F744 HydrophobicContact CE1-CZ 3.67Å; F708-L747 HydrophobicContact CZ-CB 3.94Å; F708-V758 HydrophobicContact CD2-CB 3.69Å; F708-V758 HydrophobicContact CD2-CG1 3.52Å; F708-V758 HydrophobicContact CD2-CG2 4.15Å; F708-V758 HydrophobicContact CE2-CB 4.02Å; F708-V758 HydrophobicContact CE2-CG1 3.71Å; F708-V758 HydrophobicContact CE2-CG2 4.04Å; F708-V758 HydrophobicContact CG-CB 4.24Å; F708-V758 HydrophobicContact CZ-CG2 4.44Å; F708-L760 HydrophobicContact CD1-CD2 3.5Å; F708-L760 HydrophobicContact CD1-CG 4.33Å; F708-L760 HydrophobicContact CE1-CD1 4.45Å; F708-L760 HydrophobicContact CE1-CD2 3.59Å; F708-L760 HydrophobicContact CE1-CG 4.35Å; F708-L760 HydrophobicContact CG-CD2 4.4Å
709E89.3Confident88.7Confident95 Ų9534.3 Ų34.344%0.44417%0.171SC..Hα-helixtrans-56.5-42.4172.6-174.4-172.5-154.300111.3H705 C706 A713 K994H705-E709 VanDerWaalsContact O-CB 3.23Å; H705-E709 WeakPolarHBondContact O-CB 3.38Å; H705-E709 PolarHBondContact O-N 2.95Å; C706-E709 PolarHBondContact O-N 3.33Å; E709-A713 WeakPolarHBondContact O-CB 3.4Å; E709-A713 PolarHBondContact O-N 3.14Å; E709-K994 VanDerWaalsContact CD-NZ 3.28Å; E709-K994 IonicContact OE1-NZ 3.27Å; E709-K994 PolarHBondContact OE1-NZ 3.46Å; E709-K994 IonicContact OE2-NZ 3.72Å; E709-K994 PolarHBondContact OE2-NZ 3.27Å
710E91.6Very high89.5Confident75 Ų7535 Ų3535%0.3517%0.174SC..Hα-helixtrans-73.6-52.1179.3-167.3177.1156.400112.5V665 C706 I707 F708 T712 A713 Y716V665-E710 HydrophobicContact CG2-CB 4.12Å; V665-E710 VanDerWaalsContact CG2-CD 3.42Å; V665-E710 HydrophobicContact CG2-CG 3.89Å; V665-E710 WeakPolarHBondContact CG2-OE1 3.46Å; C706-E710 PolarHBondContact O-N 3.34Å; I707-E710 PolarHBondContact O-N 3.45Å; F708-E710 VanDerWaalsContact C-N 3.28Å; F708-E710 PolarHBondContact O-N 2.95Å; E710-T712 VanDerWaalsContact C-N 3.32Å; E710-T712 PolarHBondContact O-N 3.03Å; E710-A713 WeakPolarHBondContact O-CB 3.47Å; E710-A713 PolarHBondContact O-N 3.45Å; E710-Y716 VanDerWaalsContact O-CB 3.27Å; E710-Y716 WeakPolarHBondContact O-CB 3.31Å
711M93.2Very high90Very high1 Ų137.2 Ų37.21%0.00518%0.182CC..Hα-helixtrans-69.8-26.4-175.4-66-177.481.400113.6V665 M669 I707 Y716 M718 F744 L747V665-M711 HydrophobicContact CG1-CE 4.4Å; V665-M711 HydrophobicContact CG1-CG 4.07Å; V665-M711 HydrophobicContact CG1-SD 4.31Å; V665-M711 HydrophobicContact CG2-CG 3.73Å; M669-M711 HydrophobicContact SD-CE 4.28Å; I707-M711 HydrophobicContact CD1-SD 4.21Å; I707-M711 HydrophobicContact CG1-CG 4.24Å; I707-M711 HydrophobicContact CG1-SD 3.81Å; I707-M711 WeakPolarHBondContact O-CB 3.27Å; I707-M711 VanDerWaalsContact O-CG 3.26Å; I707-M711 WeakPolarHBondContact O-CG 3.23Å; I707-M711 PolarHBondContact O-N 3.35Å; M711-Y716 HydrophobicContact CB-CD1 4.33Å; M711-Y716 HydrophobicContact CB-CE1 4.31Å; M711-Y716 HydrophobicContact CG-CE1 4.25Å; M711-Y716 WeakPolarHBondContact O-CD1 3.1Å; M711-M718 HydrophobicContact CE-CE 4.39Å; M711-M718 HydrophobicContact CE-SD 3.72Å; M711-F744 HydrophobicContact CB-CD2 4.49Å; M711-F744 HydrophobicContact CB-CE2 4.24Å; M711-F744 HydrophobicContact CE-CD2 3.78Å; M711-F744 HydrophobicContact SD-CD2 4.14Å; M711-L747 HydrophobicContact SD-CD1 3.9Å
712T91.9Very high90.3Very high12 Ų1238.6 Ų38.67%0.07419%0.19CC..THydrogen-bonded Turntrans-98.49.4177.572.90000112.6F708 E710 Y721 M728 F744 L760F708-T712 HydrophobicContact CD1-CG2 4.31Å; F708-T712 VanDerWaalsContact O-CB 3.23Å; F708-T712 WeakPolarHBondContact O-CB 3.48Å; F708-T712 VanDerWaalsContact O-CG2 3.24Å; F708-T712 WeakPolarHBondContact O-CG2 3.33Å; F708-T712 PolarHBondContact O-N 3.49Å; F708-T712 PolarHBondContact O-OG1 3.05Å; E710-T712 VanDerWaalsContact C-N 3.32Å; E710-T712 PolarHBondContact O-N 3.03Å; T712-Y721 PolarHBondContact O-OH 3Å; T712-M728 HydrophobicContact CG2-CE 3.57Å; T712-M728 HydrophobicContact CG2-SD 3.76Å; T712-F744 HydrophobicContact CG2-CE2 4.26Å; T712-F744 HydrophobicContact CG2-CZ 4.17Å; T712-L760 HydrophobicContact CG2-CD2 4.28Å
713A90.3Very high90.4Very high18 Ų1840.9 Ų40.915%0.14920%0.201CC..SBendtrans-75.5137.1172.300000109.9E709 E710 K715 Y716E709-A713 WeakPolarHBondContact O-CB 3.4Å; E709-A713 PolarHBondContact O-N 3.14Å; E710-A713 WeakPolarHBondContact O-CB 3.47Å; E710-A713 PolarHBondContact O-N 3.45Å; A713-K715 HydrophobicContact CB-CD 4.48Å; A713-K715 HydrophobicContact CB-CG 3.77Å; A713-K715 PolarHBondContact O-N 2.65Å; A713-Y716 WeakPolarHBondContact O-CB 3.48Å; A713-Y716 PolarHBondContact O-N 3.11Å
714P88.9Confident89.7Confident86 Ų8650.8 Ų50.856%0.55824%0.244SC*.G310 helixtrans-54.1-30.9176.2-28.634.9000114.1Y716 E717 Y721P714-Y716 VanDerWaalsContact C-N 3.29Å; P714-Y716 PolarHBondContact O-N 3.05Å; P714-E717 PolarHBondContact O-N 3.04Å; P714-Y721 HydrophobicContact CB-CD2 4.09Å; P714-Y721 HydrophobicContact CB-CE2 4.02Å; P714-Y721 HydrophobicContact CG-CD1 4.48Å; P714-Y721 HydrophobicContact CG-CD2 4.08Å; P714-Y721 HydrophobicContact CG-CE1 4.23Å; P714-Y721 HydrophobicContact CG-CE2 3.88Å; P714-Y721 HydrophobicContact CG-CG 4.42Å
715K89.8Confident88.7Confident182 Ų18257.1 Ų57.179%0.79129%0.289SS*.G310 helixtrans-67.8-21.5176.364.5177.3-179.81770114.6A713A713-K715 HydrophobicContact CB-CD 4.48Å; A713-K715 HydrophobicContact CB-CG 3.77Å; A713-K715 PolarHBondContact O-N 2.65Å
716Y91.7Very high88.3Confident56 Ų5656.9 Ų56.922%0.2229%0.289CS..G310 helixtrans-83.5-18.7177.9-172.8-103.2000111.7V665 E710 M711 A713 P714 M718 F736V665-Y716 HydrophobicContact CG1-CE2 4.26Å; V665-Y716 VanDerWaalsContact CG1-OH 3.3Å; V665-Y716 WeakPolarHBondContact CG1-OH 3.42Å; E710-Y716 VanDerWaalsContact O-CB 3.27Å; E710-Y716 WeakPolarHBondContact O-CB 3.31Å; M711-Y716 HydrophobicContact CB-CD1 4.33Å; M711-Y716 HydrophobicContact CB-CE1 4.31Å; M711-Y716 HydrophobicContact CG-CE1 4.25Å; M711-Y716 WeakPolarHBondContact O-CD1 3.1Å; A713-Y716 WeakPolarHBondContact O-CB 3.48Å; A713-Y716 PolarHBondContact O-N 3.11Å; P714-Y716 VanDerWaalsContact C-N 3.29Å; P714-Y716 PolarHBondContact O-N 3.05Å; Y716-M718 HydrophobicContact CD1-CB 3.65Å; Y716-M718 HydrophobicContact CE1-CB 3.82Å; Y716-M718 HydrophobicContact CE1-SD 4.21Å; Y716-M718 PolarHBondContact O-N 3.17Å; Y716-M718 VanDerWaalsContact O-N 3.1Å; Y716-F736 HydrophobicContact CD1-CZ 4.07Å; Y716-F736 AromaticContact CE1-CE1 3.91Å; Y716-F736 HydrophobicContact CE1-CE1 3.91Å; Y716-F736 HydrophobicContact CE1-CE2 4.25Å; Y716-F736 AromaticContact CE1-CZ 3.56Å; Y716-F736 HydrophobicContact CE1-CZ 3.56Å; Y716-F736 HydrophobicContact CE2-CE1 4.49Å; Y716-F736 HydrophobicContact CE2-CZ 4.22Å; Y716-F736 AromaticContact CZ-CE1 3.69Å; Y716-F736 AromaticContact CZ-CZ 3.62Å; Y716-F736 VanDerWaalsContact O-CE2 3.29Å; Y716-F736 WeakPolarHBondContact O-CE2 3.44Å; Y716-F736 WeakPolarHBondContact O-CZ 3.38Å; Y716-F736 WeakPolarHBondContact OH-CE1 3.18Å
717E91.5Very high88.4Confident99 Ų9957.1 Ų57.146%0.46329%0.291SS..  trans61.716.6169.7-51.5-176.2119.600116.2P714 F719 K735P714-E717 PolarHBondContact O-N 3.04Å; E717-F719 VanDerWaalsContact C-N 3.29Å; E717-K735 HydrophobicContact CB-CD 4.12Å; E717-K735 IonicContact OE1-NZ 3.59Å; E717-K735 PolarHBondContact OE1-NZ 3.44Å; E717-K735 WeakPolarHBondContact OE2-CD 3.33Å; E717-K735 IonicContact OE2-NZ 3.68Å; E717-K735 PolarHBondContact OE2-NZ 3.2Å
718M93.6Very high88.5Confident1 Ų157.1 Ų57.11%0.00529%0.291CS..SBendtrans-68.8-30.4173.3-176.6170.2-172.800112.5M711 Y716 F736 Y741 F744M711-M718 HydrophobicContact CE-CE 4.39Å; M711-M718 HydrophobicContact CE-SD 3.72Å; Y716-M718 HydrophobicContact CD1-CB 3.65Å; Y716-M718 HydrophobicContact CE1-CB 3.82Å; Y716-M718 HydrophobicContact CE1-SD 4.21Å; Y716-M718 PolarHBondContact O-N 3.17Å; Y716-M718 VanDerWaalsContact O-N 3.1Å; M718-F736 HydrophobicContact CB-CD2 4.15Å; M718-F736 HydrophobicContact CB-CE2 4Å; M718-F736 HydrophobicContact CG-CD2 4.41Å; M718-Y741 HydrophobicContact CE-CD1 3.68Å; M718-Y741 HydrophobicContact CE-CE1 3.9Å; M718-Y741 HydrophobicContact CE-CG 4.17Å; M718-Y741 HydrophobicContact CG-CE1 3.95Å; M718-Y741 WeakPolarHBondContact O-CE1 3.14Å; M718-Y741 PolarHBondContact O-OH 2.96Å; M718-F744 HydrophobicContact CE-CB 3.49Å; M718-F744 VanDerWaalsContact CE-CB 3.49Å; M718-F744 HydrophobicContact CE-CD2 4.08Å; M718-F744 HydrophobicContact CE-CG 3.83Å; M718-F744 HydrophobicContact SD-CB 4.48Å; M718-F744 HydrophobicContact SD-CD2 4.03Å; M718-F744 HydrophobicContact SD-CG 4.38Å
719F94.6Very high88.7Confident10 Ų1057 Ų574%0.04429%0.291CS..SBendtrans-125.3156.6-178.8-60.6-71.6000111.5E717 Y721 M728 W729 F730 Y741 F744 F762E717-F719 VanDerWaalsContact C-N 3.29Å; F719-Y721 HydrophobicContact CB-CE2 4.38Å; F719-M728 HydrophobicContact CB-CB 4.06Å; F719-M728 HydrophobicContact CB-CG 4.39Å; F719-M728 HydrophobicContact CB-SD 4.37Å; F719-M728 HydrophobicContact CD2-CE 4.38Å; F719-M728 HydrophobicContact CD2-SD 3.8Å; F719-M728 HydrophobicContact CE2-CE 4.35Å; F719-M728 HydrophobicContact CE2-SD 4.34Å; F719-M728 HydrophobicContact CG-CG 4.39Å; F719-M728 HydrophobicContact CG-SD 4.09Å; F719-W729 WeakPolarHBondContact CA-O 3.26Å; F719-W729 WeakPolarHBondContact CB-O 3.49Å; F719-F730 HydrophobicContact CD1-CD1 4.31Å; F719-F730 AromaticContact CE1-CD1 3.82Å; F719-F730 HydrophobicContact CE1-CD1 3.82Å; F719-F730 AromaticContact CE1-CE1 3.81Å; F719-F730 HydrophobicContact CE1-CE1 3.81Å; F719-Y741 HydrophobicContact CE1-CD1 4.3Å; F719-Y741 HydrophobicContact CE1-CE1 4.05Å; F719-F744 HydrophobicContact CE2-CD1 4.46Å; F719-F744 HydrophobicContact CE2-CD2 4.29Å; F719-F744 HydrophobicContact CE2-CE1 4Å; F719-F744 AromaticContact CE2-CE2 3.79Å; F719-F744 HydrophobicContact CE2-CE2 3.79Å; F719-F744 AromaticContact CE2-CZ 3.63Å; F719-F744 HydrophobicContact CE2-CZ 3.63Å; F719-F744 AromaticContact CZ-CD1 3.77Å; F719-F744 HydrophobicContact CZ-CD1 3.77Å; F719-F744 HydrophobicContact CZ-CD2 4.3Å; F719-F744 AromaticContact CZ-CE1 3.52Å; F719-F744 HydrophobicContact CZ-CE1 3.52Å; F719-F744 HydrophobicContact CZ-CE2 4.06Å; F719-F744 HydrophobicContact CZ-CG 4.15Å; F719-F744 AromaticContact CZ-CZ 3.67Å; F719-F744 HydrophobicContact CZ-CZ 3.67Å; F719-F762 HydrophobicContact CD1-CE1 4.29Å; F719-F762 HydrophobicContact CD1-CZ 4Å; F719-F762 HydrophobicContact CE1-CE1 4.26Å; F719-F762 AromaticContact CE1-CZ 3.6Å; F719-F762 HydrophobicContact CE1-CZ 3.6Å; F719-F762 AromaticContact CZ-CZ 3.96Å; F719-F762 HydrophobicContact CZ-CZ 3.96Å
720M92.4Very high89Confident21 Ų2152.5 Ų52.510%0.10327%0.27CS..BIsolated β-bridgetrans-96.2153.3172.462.7162.3-69.300111.2P722 M728 W729 P731 W813 D814M720-P722 HydrophobicContact CE-CG 3.89Å; M720-M728 WeakPolarHBondContact O-CA 3.28Å; M720-W729 HydrophobicContact CG-CB 4.21Å; M720-W729 VanDerWaalsContact CG-O 3.31Å; M720-W729 WeakPolarHBondContact CG-O 3.48Å; M720-W729 PolarHBondContact N-O 2.95Å; M720-W729 PolarHBondContact O-N 3.27Å; M720-P731 HydrophobicContact CB-CB 4.43Å; M720-W813 HydrophobicContact CE-CH2 4.25Å; M720-W813 HydrophobicContact CE-CZ2 3.81Å; M720-W813 HydrophobicContact SD-CZ2 4.14Å; M720-D814 HydrophobicContact CE-CB 4.21Å; M720-D814 HydrophobicContact SD-CB 3.8Å
721Y92.2Very high89.1Confident58 Ų5849.3 Ų49.323%0.22726%0.256CS..  trans-127.1105.6177.2-61.8-98.1000107.6T712 P714 F719 E723 M728T712-Y721 PolarHBondContact O-OH 3Å; P714-Y721 HydrophobicContact CB-CD2 4.09Å; P714-Y721 HydrophobicContact CB-CE2 4.02Å; P714-Y721 HydrophobicContact CG-CD1 4.48Å; P714-Y721 HydrophobicContact CG-CD2 4.08Å; P714-Y721 HydrophobicContact CG-CE1 4.23Å; P714-Y721 HydrophobicContact CG-CE2 3.88Å; P714-Y721 HydrophobicContact CG-CG 4.42Å; F719-Y721 HydrophobicContact CB-CE2 4.38Å; Y721-E723 VanDerWaalsContact C-N 3.27Å; Y721-E723 PolarHBondContact O-N 2.75Å; Y721-M728 HydrophobicContact CD1-CB 4.12Å; Y721-M728 HydrophobicContact CE1-CB 3.5Å; Y721-M728 VanDerWaalsContact CE1-CB 3.5Å; Y721-M728 HydrophobicContact CE2-CB 4.41Å
722P87.9Confident89Confident39 Ų3950.6 Ų50.625%0.25326%0.263SS..SBendtrans-53.3-43.2179.3-27.733.3000113.2M720 S726 L783 W813M720-P722 HydrophobicContact CE-CG 3.89Å; P722-S726 WeakPolarHBondContact CD-OG 3.3Å; P722-L783 HydrophobicContact CG-CD1 3.9Å; P722-L783 HydrophobicContact CG-CG 4.11Å; P722-W813 HydrophobicContact CB-CH2 4.46Å; P722-W813 HydrophobicContact CG-CH2 3.81Å; P722-W813 HydrophobicContact CG-CZ3 4.47Å
723E83.5Confident88.8Confident58 Ų5853.8 Ų53.827%0.27128%0.28SS..SBendtrans-129.2166.7176-54.494.9-152.400112.9Y721 S725 S726 S784 P786Y721-E723 VanDerWaalsContact C-N 3.27Å; Y721-E723 PolarHBondContact O-N 2.75Å; E723-S725 PolarHBondContact O-N 3.46Å; E723-S726 PolarHBondContact N-OG 2.88Å; E723-S726 VanDerWaalsContact N-OG 3.09Å; E723-S726 PolarHBondContact O-N 3.17Å; E723-S726 PolarHBondContact O-OG 3.46Å; E723-S726 WeakPolarHBondContact OE2-CB 2.94Å; E723-S784 VanDerWaalsContact OE1-CA 3.3Å; E723-S784 WeakPolarHBondContact OE1-CA 3.28Å; E723-S784 WeakPolarHBondContact OE1-CB 3.49Å; E723-S784 PolarHBondContact OE1-OG 3.29Å; E723-S784 WeakPolarHBondContact OE2-CA 3.3Å; E723-P786 HydrophobicContact CG-CG 4.4Å; E723-P786 WeakPolarHBondContact OE1-CD 3.49Å
724K73.3Confident88.9Confident207 Ų20755 Ų5590%0.929%0.286SS*.THydrogen-bonded Turntrans-64121.3169.4-70.6-178179.3178.50108.6S726K724-S726 VanDerWaalsContact C-N 3.34Å
725S68.5Low89Confident135 Ų13557.9 Ų57.994%0.94429%0.29SS*.THydrogen-bonded Turntrans71.517.6-177.2-45.60000115.6E723E723-S725 PolarHBondContact O-N 3.46Å
726S79.4Confident89.1Confident19 Ų1951.7 Ų51.713%0.13326%0.263CS..PPolyproline II helixtrans-78.6170.2170.871.40000112.2P722 E723 K724P722-S726 WeakPolarHBondContact CD-OG 3.3Å; E723-S726 PolarHBondContact N-OG 2.88Å; E723-S726 VanDerWaalsContact N-OG 3.09Å; E723-S726 PolarHBondContact O-N 3.17Å; E723-S726 PolarHBondContact O-OG 3.46Å; E723-S726 WeakPolarHBondContact OE2-CB 2.94Å; K724-S726 VanDerWaalsContact C-N 3.34Å
727C89.1Confident89.1Confident25 Ų2555.1 Ų55.117%0.16928%0.281CS..PPolyproline II helixtrans-57.9152.5164.2-72.20000111.4P761 P763 L783C727-P761 CarbonylContact C-O 3.32Å; C727-P761 WeakPolarHBondContact CA-O 3.32Å; C727-P761 WeakPolarHBondContact CB-O 3.46Å; C727-P763 HydrophobicContact CB-CB 4.41Å; C727-L783 HydrophobicContact CB-CD1 4.18Å
728M93.9Very high88.9Confident0 Ų053.7 Ų53.70%028%0.277CS..PPolyproline II helixtrans-83.9149.9172.376.1-172.8178.900111.1T712 F719 M720 Y721 F744 L760 P761 F762T712-M728 HydrophobicContact CG2-CE 3.57Å; T712-M728 HydrophobicContact CG2-SD 3.76Å; F719-M728 HydrophobicContact CB-CB 4.06Å; F719-M728 HydrophobicContact CB-CG 4.39Å; F719-M728 HydrophobicContact CB-SD 4.37Å; F719-M728 HydrophobicContact CD2-CE 4.38Å; F719-M728 HydrophobicContact CD2-SD 3.8Å; F719-M728 HydrophobicContact CE2-CE 4.35Å; F719-M728 HydrophobicContact CE2-SD 4.34Å; F719-M728 HydrophobicContact CG-CG 4.39Å; F719-M728 HydrophobicContact CG-SD 4.09Å; M720-M728 WeakPolarHBondContact O-CA 3.28Å; Y721-M728 HydrophobicContact CD1-CB 4.12Å; Y721-M728 HydrophobicContact CE1-CB 3.5Å; Y721-M728 VanDerWaalsContact CE1-CB 3.5Å; Y721-M728 HydrophobicContact CE2-CB 4.41Å; M728-F744 HydrophobicContact CE-CZ 4.34Å; M728-L760 HydrophobicContact CE-CD2 3.83Å; M728-P761 HydrophobicContact CB-CG 4.42Å; M728-P761 HydrophobicContact CE-CG 4.22Å; M728-P761 HydrophobicContact CG-CG 4.01Å; M728-P761 PolarHBondContact N-O 3.38Å; M728-P761 HydrophobicContact SD-CG 3.72Å; M728-F762 HydrophobicContact CE-CD1 4.48Å; M728-F762 HydrophobicContact CE-CD2 3.33Å; M728-F762 HydrophobicContact CE-CE1 4.28Å; M728-F762 HydrophobicContact CE-CE2 3.09Å; M728-F762 HydrophobicContact CE-CG 4.06Å; M728-F762 HydrophobicContact CE-CZ 3.61Å; M728-F762 HydrophobicContact CG-CD1 3.96Å; M728-F762 HydrophobicContact CG-CD2 4.39Å; M728-F762 HydrophobicContact CG-CE1 3.94Å; M728-F762 HydrophobicContact CG-CE2 4.4Å; M728-F762 HydrophobicContact CG-CG 4.19Å; M728-F762 HydrophobicContact CG-CZ 4.17Å; M728-F762 WeakPolarHBondContact O-CD1 3.42Å; M728-F762 HydrophobicContact SD-CE2 4.46Å
729W95.4Very high88.8Confident0 Ų059.8 Ų59.80%030%0.303CS..BIsolated β-bridgetrans-139.6164.8172.8-163-116.4000112.4F719 M720 F762 P763 A765 L766 K769 L783 I845 F846 V850F719-W729 WeakPolarHBondContact CA-O 3.26Å; F719-W729 WeakPolarHBondContact CB-O 3.49Å; M720-W729 HydrophobicContact CG-CB 4.21Å; M720-W729 VanDerWaalsContact CG-O 3.31Å; M720-W729 WeakPolarHBondContact CG-O 3.48Å; M720-W729 PolarHBondContact N-O 2.95Å; M720-W729 PolarHBondContact O-N 3.27Å; W729-F762 AromaticContact CE3-CD1 3.98Å; W729-F762 HydrophobicContact CE3-CD1 3.98Å; W729-F762 HydrophobicContact CE3-CE1 4.36Å; W729-F762 HydrophobicContact CZ3-CD1 4.21Å; W729-P763 HydrophobicContact CE3-CG 3.82Å; W729-P763 HydrophobicContact CZ3-CG 3.88Å; W729-A765 HydrophobicContact CH2-CB 4.42Å; W729-A765 HydrophobicContact CZ3-CB 4.47Å; W729-L766 HydrophobicContact CZ3-CB 4.17Å; W729-K769 HydrophobicContact CH2-CD 3.88Å; W729-K769 HydrophobicContact CZ2-CD 4.26Å; W729-L783 HydrophobicContact CB-CD1 3.74Å; W729-L783 HydrophobicContact CB-CD2 4.05Å; W729-L783 HydrophobicContact CD2-CD2 4.09Å; W729-L783 HydrophobicContact CG-CD1 4.37Å; W729-L783 HydrophobicContact CG-CD2 3.84Å; W729-I845 PolarHBondContact NE1-O 3.3Å; W729-F846 HydrophobicContact CD2-CD1 4.46Å; W729-F846 AromaticContact CE2-CD1 3.84Å; W729-F846 AromaticContact CH2-CD1 3.73Å; W729-F846 HydrophobicContact CH2-CD1 3.73Å; W729-F846 HydrophobicContact CH2-CE1 4.29Å; W729-F846 HydrophobicContact CZ2-CB 4.37Å; W729-F846 AromaticContact CZ2-CD1 3.49Å; W729-F846 HydrophobicContact CZ2-CD1 3.49Å; W729-F846 VanDerWaalsContact CZ2-CD1 3.49Å; W729-F846 HydrophobicContact CZ2-CE1 4.3Å; W729-F846 HydrophobicContact CZ2-CG 4.41Å; W729-F846 HydrophobicContact CZ3-CD1 4.3Å; W729-F846 HydrophobicContact CZ3-CE1 4.43Å; W729-V850 HydrophobicContact CZ2-CG2 4.29Å
730F95.6Very high88.7Confident0 Ų060 Ų600%031%0.305CS..  trans-66.6134.1175.5-64.3-81.3000110.5F719 Y741 F762 L766 V850 I853 Y854 F857F719-F730 HydrophobicContact CD1-CD1 4.31Å; F719-F730 AromaticContact CE1-CD1 3.82Å; F719-F730 HydrophobicContact CE1-CD1 3.82Å; F719-F730 AromaticContact CE1-CE1 3.81Å; F719-F730 HydrophobicContact CE1-CE1 3.81Å; F730-Y741 AromaticContact CD1-CD1 3.88Å; F730-Y741 HydrophobicContact CD1-CD1 3.88Å; F730-Y741 HydrophobicContact CD1-CE1 4.06Å; F730-Y741 AromaticContact CE1-CD1 3.97Å; F730-Y741 HydrophobicContact CE1-CD1 3.97Å; F730-F762 HydrophobicContact CD2-CE1 4.33Å; F730-F762 HydrophobicContact CE2-CE1 4.03Å; F730-F762 HydrophobicContact CE2-CZ 4.32Å; F730-F762 HydrophobicContact CZ-CE1 4.29Å; F730-F762 HydrophobicContact CZ-CZ 4.12Å; F730-L766 HydrophobicContact CE2-CD1 3.82Å; F730-L766 HydrophobicContact CZ-CD1 4.23Å; F730-V850 HydrophobicContact CB-CB 3.91Å; F730-V850 HydrophobicContact CB-CG1 3.61Å; F730-V850 WeakPolarHBondContact O-CG1 3.47Å; F730-I853 HydrophobicContact CB-CD1 3.64Å; F730-I853 HydrophobicContact CB-CG1 4.18Å; F730-I853 HydrophobicContact CD1-CD1 4.42Å; F730-I853 HydrophobicContact CD1-CG1 4.42Å; F730-I853 HydrophobicContact CG-CD1 4.4Å; F730-Y854 AromaticContact CE2-CD2 3.88Å; F730-Y854 HydrophobicContact CE2-CD2 3.88Å; F730-Y854 HydrophobicContact CZ-CD2 4.29Å; F730-F857 HydrophobicContact CE1-CB 4.01Å; F730-F857 HydrophobicContact CE1-CD2 4.33Å; F730-F857 HydrophobicContact CE1-CG 4.08Å; F730-F857 HydrophobicContact CZ-CB 4Å; F730-F857 AromaticContact CZ-CD1 3.85Å; F730-F857 HydrophobicContact CZ-CD1 3.85Å; F730-F857 HydrophobicContact CZ-CD2 4.09Å; F730-F857 HydrophobicContact CZ-CE1 4.39Å; F730-F857 AromaticContact CZ-CG 3.69Å; F730-F857 HydrophobicContact CZ-CG 3.69Å
731P93.9Very high88.9Confident9 Ų959 Ų596%0.05830%0.3CS..  trans-74.7149.1-179.231.5-35000111.1M720 N733 P734 Y741 I853M720-P731 HydrophobicContact CB-CB 4.43Å; P731-N733 VanDerWaalsContact C-N 3.3Å; P731-P734 HydrophobicContact CG-CB 4.01Å; P731-Y741 WeakPolarHBondContact CG-OH 3.32Å; P731-I853 WeakPolarHBondContact O-CD1 3.5Å
732V91.4Very high89.1Confident27 Ų2757.1 Ų57.116%0.16429%0.293CS..SBendtrans-69.7-34.5174.4-1780000110.4D814V732-D814 HydrophobicContact CB-CB 4.06Å; V732-D814 VanDerWaalsContact CB-OD2 3.3Å; V732-D814 WeakPolarHBondContact CB-OD2 3.37Å; V732-D814 HydrophobicContact CG2-CB 3.48Å; V732-D814 VanDerWaalsContact CG2-CB 3.48Å; V732-D814 PolarHBondContact N-OD2 2.87Å
733N89Confident89.4Confident80 Ų8056.2 Ų56.243%0.42829%0.285SS..SBendtrans-122.589.1177.1-50.4-81.9000109.2P731 K816P731-N733 VanDerWaalsContact C-N 3.3Å; N733-K816 WeakPolarHBondContact ND2-CE 3.29Å; N733-K816 PolarHBondContact ND2-NZ 2.94Å; N733-K816 PolarHBondContact OD1-NZ 3.45Å
734P91.3Very high90Very high43 Ų4353.5 Ų53.528%0.27927%0.272SS..  trans-66.8138.3-177.928.8-36.2000111.3P731 F736 Y741 I853P731-P734 HydrophobicContact CG-CB 4.01Å; P734-F736 VanDerWaalsContact C-N 3.34Å; P734-Y741 HydrophobicContact CB-CE2 3.67Å; P734-Y741 VanDerWaalsContact CB-OH 3.32Å; P734-Y741 WeakPolarHBondContact CB-OH 3.33Å; P734-I853 HydrophobicContact CB-CG2 4.33Å; P734-I853 HydrophobicContact CG-CG2 3.91Å
735K90.9Very high91Very high146 Ų14643.6 Ų43.664%0.63523%0.229SC*.SBendtrans-76.7-24.8168.7-71.1-176.3171.3-176.20112.5E717E717-K735 HydrophobicContact CB-CD 4.12Å; E717-K735 IonicContact OE1-NZ 3.59Å; E717-K735 PolarHBondContact OE1-NZ 3.44Å; E717-K735 WeakPolarHBondContact OE2-CD 3.33Å; E717-K735 IonicContact OE2-NZ 3.68Å; E717-K735 PolarHBondContact OE2-NZ 3.2Å
736F91.8Very high92.2Very high52 Ų5237.2 Ų37.223%0.22818%0.184CC..SBendtrans-94159.8-178.4-68.3-93.9000111.6Y716 M718 P734 D740 Y741Y716-F736 HydrophobicContact CD1-CZ 4.07Å; Y716-F736 AromaticContact CE1-CE1 3.91Å; Y716-F736 HydrophobicContact CE1-CE1 3.91Å; Y716-F736 HydrophobicContact CE1-CE2 4.25Å; Y716-F736 AromaticContact CE1-CZ 3.56Å; Y716-F736 HydrophobicContact CE1-CZ 3.56Å; Y716-F736 HydrophobicContact CE2-CE1 4.49Å; Y716-F736 HydrophobicContact CE2-CZ 4.22Å; Y716-F736 AromaticContact CZ-CE1 3.69Å; Y716-F736 AromaticContact CZ-CZ 3.62Å; Y716-F736 VanDerWaalsContact O-CE2 3.29Å; Y716-F736 WeakPolarHBondContact O-CE2 3.44Å; Y716-F736 WeakPolarHBondContact O-CZ 3.38Å; Y716-F736 WeakPolarHBondContact OH-CE1 3.18Å; M718-F736 HydrophobicContact CB-CD2 4.15Å; M718-F736 HydrophobicContact CB-CE2 4Å; M718-F736 HydrophobicContact CG-CD2 4.41Å; P734-F736 VanDerWaalsContact C-N 3.34Å; F736-D740 HydrophobicContact CB-CB 4.1Å; F736-Y741 HydrophobicContact CB-CE2 4.26Å
737E91.2Very high92.9Very high129 Ų12936.3 Ų36.360%0.60318%0.178SC*.  trans-68.6150.8175.9-65.6-172.2175.200110.7K739 D740E737-K739 PolarHBondContact O-N 3.14Å; E737-D740 PolarHBondContact N-OD2 3.07Å; E737-D740 WeakPolarHBondContact O-CB 3.42Å; E737-D740 PolarHBondContact O-N 2.91Å
738N88.9Confident93.2Very high68 Ų6835.2 Ų35.236%0.36417%0.171SC..Hα-helixtrans-52.8-32.7175.5-72-23.5000112.7D740 Y741 T852 I853 E856N738-D740 VanDerWaalsContact C-N 3.31Å; N738-D740 PolarHBondContact O-N 3.2Å; N738-Y741 PolarHBondContact O-N 3.38Å; N738-T852 WeakPolarHBondContact ND2-CG2 3.5Å; N738-I853 WeakPolarHBondContact OD1-CG2 3.23Å; N738-E856 HydrophobicContact CB-CG 4.09Å; N738-E856 VanDerWaalsContact O-CB 3.3Å; N738-E856 WeakPolarHBondContact O-CB 3.28Å
739K90.1Very high93Very high129 Ų12935.2 Ų35.256%0.56117%0.171SC*.Hα-helixtrans-67.8-26177.3-70.9-177.11801760113.4E737 Y741 F742 F743E737-K739 PolarHBondContact O-N 3.14Å; K739-Y741 VanDerWaalsContact C-N 3.29Å; K739-Y741 PolarHBondContact O-N 3.14Å; K739-F742 WeakPolarHBondContact O-CB 3.4Å; K739-F742 PolarHBondContact O-N 2.91Å; K739-F742 VanDerWaalsContact O-N 3.17Å; K739-F743 WeakPolarHBondContact O-CD2 3.38Å; K739-F743 PolarHBondContact O-N 3.49Å
740D93.2Very high92.8Very high16 Ų1635.2 Ų35.29%0.08617%0.171CC..Hα-helixtrans-66.7-35.9177.8-63.5-45.4000111M669 R673 F736 E737 N738 F742 F743 F744M669-D740 HydrophobicContact CE-CB 3.85Å; M669-D740 VanDerWaalsContact CE-OD1 3.27Å; M669-D740 WeakPolarHBondContact CE-OD1 3.38Å; R673-D740 IonicContact CZ-OD1 3.57Å; R673-D740 IonicContact NH1-OD1 2.79Å; R673-D740 PolarHBondContact NH1-OD1 3.47Å; R673-D740 IonicContact NH2-OD1 3.25Å; R673-D740 PolarHBondContact NH2-OD1 2.72Å; F736-D740 HydrophobicContact CB-CB 4.1Å; E737-D740 PolarHBondContact N-OD2 3.07Å; E737-D740 WeakPolarHBondContact O-CB 3.42Å; E737-D740 PolarHBondContact O-N 2.91Å; N738-D740 VanDerWaalsContact C-N 3.31Å; N738-D740 PolarHBondContact O-N 3.2Å; D740-F742 VanDerWaalsContact C-N 3.31Å; D740-F742 PolarHBondContact O-N 2.98Å; D740-F743 PolarHBondContact O-N 2.92Å; D740-F744 PolarHBondContact O-N 3.09Å
741Y96.1Very high92.5Very high0 Ų035.2 Ų35.20%017%0.171CC..Hα-helixtrans-66.5-31.6172.8-63.5-82.3000112.7M718 F719 F730 P731 P734 F736 N738 K739 G745 I853 F857M718-Y741 HydrophobicContact CE-CD1 3.68Å; M718-Y741 HydrophobicContact CE-CE1 3.9Å; M718-Y741 HydrophobicContact CE-CG 4.17Å; M718-Y741 HydrophobicContact CG-CE1 3.95Å; M718-Y741 WeakPolarHBondContact O-CE1 3.14Å; M718-Y741 PolarHBondContact O-OH 2.96Å; F719-Y741 HydrophobicContact CE1-CD1 4.3Å; F719-Y741 HydrophobicContact CE1-CE1 4.05Å; F730-Y741 AromaticContact CD1-CD1 3.88Å; F730-Y741 HydrophobicContact CD1-CD1 3.88Å; F730-Y741 HydrophobicContact CD1-CE1 4.06Å; F730-Y741 AromaticContact CE1-CD1 3.97Å; F730-Y741 HydrophobicContact CE1-CD1 3.97Å; P731-Y741 WeakPolarHBondContact CG-OH 3.32Å; P734-Y741 HydrophobicContact CB-CE2 3.67Å; P734-Y741 VanDerWaalsContact CB-OH 3.32Å; P734-Y741 WeakPolarHBondContact CB-OH 3.33Å; F736-Y741 HydrophobicContact CB-CE2 4.26Å; N738-Y741 PolarHBondContact O-N 3.38Å; K739-Y741 VanDerWaalsContact C-N 3.29Å; K739-Y741 PolarHBondContact O-N 3.14Å; Y741-G745 PolarHBondContact O-N 3.46Å; Y741-I853 HydrophobicContact CD2-CB 4.08Å; Y741-I853 HydrophobicContact CD2-CG2 3.78Å; Y741-I853 HydrophobicContact CE2-CB 4.38Å; Y741-I853 HydrophobicContact CE2-CG2 3.84Å; Y741-I853 HydrophobicContact CG-CB 4.18Å; Y741-I853 HydrophobicContact CG-CG2 4.39Å; Y741-F857 WeakPolarHBondContact O-CA 3.46Å
742F95.8Very high92.2Very high18 Ų1834.9 Ų34.98%0.07917%0.169CC..Hα-helixtrans-61-49.8170.7170.6-89.7000111K739 D740 F744 G745 V746 E856 R859 G860K739-F742 WeakPolarHBondContact O-CB 3.4Å; K739-F742 PolarHBondContact O-N 2.91Å; K739-F742 VanDerWaalsContact O-N 3.17Å; D740-F742 VanDerWaalsContact C-N 3.31Å; D740-F742 PolarHBondContact O-N 2.98Å; F742-F744 PolarHBondContact O-N 3.33Å; F742-G745 CarbonylContact O-C 3.42Å; F742-G745 WeakPolarHBondContact O-CA 3.38Å; F742-G745 PolarHBondContact O-N 3.43Å; F742-G745 VanDerWaalsContact O-N 3.09Å; F742-V746 HydrophobicContact CD1-CG2 4.22Å; F742-V746 HydrophobicContact CE1-CG2 3.78Å; F742-V746 HydrophobicContact CZ-CG2 3.99Å; F742-V746 WeakPolarHBondContact O-CG2 3.5Å; F742-V746 PolarHBondContact O-N 3.48Å; F742-E856 WeakPolarHBondContact CA-O 3.4Å; F742-E856 HydrophobicContact CB-CB 4.15Å; F742-R859 HydrophobicContact CD2-CB 4.09Å; F742-R859 HydrophobicContact CD2-CG 4.31Å; F742-R859 HydrophobicContact CE2-CB 4.24Å; F742-R859 HydrophobicContact CE2-CG 4.02Å; F742-G860 VanDerWaalsContact CD2-CA 3.45Å; F742-G860 VanDerWaalsContact CD2-N 3.31Å; F742-G860 VanDerWaalsContact CE2-CA 3.48Å; F742-G860 WeakPolarHBondContact O-CA 3.4Å
743F95Very high91.9Very high20 Ų2034.1 Ų34.19%0.08817%0.165CC..Hα-helixtrans-69.2-32.6-180-66.8-65.6000113.2M669 L672 R673 K739 D740 G745 V746 L747M669-F743 HydrophobicContact CE-CB 3.79Å; M669-F743 HydrophobicContact CE-CD2 4.25Å; M669-F743 HydrophobicContact CE-CG 4.42Å; M669-F743 HydrophobicContact SD-CB 3.78Å; L672-F743 HydrophobicContact CB-CD1 3.66Å; L672-F743 HydrophobicContact CB-CE1 4.06Å; L672-F743 HydrophobicContact CB-CG 4.35Å; L672-F743 HydrophobicContact CD1-CB 4.36Å; L672-F743 HydrophobicContact CD1-CD1 4.47Å; L672-F743 VanDerWaalsContact O-CE1 3.25Å; L672-F743 WeakPolarHBondContact O-CE1 3.37Å; R673-F743 HydrophobicContact CB-CE2 4.44Å; R673-F743 HydrophobicContact CB-CZ 4.19Å; R673-F743 HydrophobicContact CG-CD2 4.06Å; R673-F743 HydrophobicContact CG-CE1 4.43Å; R673-F743 HydrophobicContact CG-CE2 3.37Å; R673-F743 HydrophobicContact CG-CZ 3.59Å; K739-F743 WeakPolarHBondContact O-CD2 3.38Å; K739-F743 PolarHBondContact O-N 3.49Å; D740-F743 PolarHBondContact O-N 2.92Å; F743-G745 VanDerWaalsContact C-N 3.3Å; F743-G745 PolarHBondContact O-N 3.06Å; F743-V746 WeakPolarHBondContact O-CB 3.39Å; F743-V746 PolarHBondContact O-N 3.27Å; F743-V746 VanDerWaalsContact O-N 3.17Å; F743-L747 WeakPolarHBondContact O-CG 3.34Å; F743-L747 PolarHBondContact O-N 3.48Å
744F95.6Very high91.6Very high0 Ų032 Ų320%015%0.154CC..Hα-helixtrans-62-40168.6-174.2-90.6000111.7F708 M711 T712 M718 F719 M728 D740 F742 V746 L747 C748 L760 F762 F857F708-F744 AromaticContact CD1-CE2 3.79Å; F708-F744 HydrophobicContact CD1-CE2 3.79Å; F708-F744 AromaticContact CD1-CZ 3.95Å; F708-F744 HydrophobicContact CD1-CZ 3.95Å; F708-F744 HydrophobicContact CE1-CD2 4.31Å; F708-F744 HydrophobicContact CE1-CE1 4.39Å; F708-F744 AromaticContact CE1-CE2 3.61Å; F708-F744 HydrophobicContact CE1-CE2 3.61Å; F708-F744 AromaticContact CE1-CZ 3.67Å; F708-F744 HydrophobicContact CE1-CZ 3.67Å; M711-F744 HydrophobicContact CB-CD2 4.49Å; M711-F744 HydrophobicContact CB-CE2 4.24Å; M711-F744 HydrophobicContact CE-CD2 3.78Å; M711-F744 HydrophobicContact SD-CD2 4.14Å; T712-F744 HydrophobicContact CG2-CE2 4.26Å; T712-F744 HydrophobicContact CG2-CZ 4.17Å; M718-F744 HydrophobicContact CE-CB 3.49Å; M718-F744 VanDerWaalsContact CE-CB 3.49Å; M718-F744 HydrophobicContact CE-CD2 4.08Å; M718-F744 HydrophobicContact CE-CG 3.83Å; M718-F744 HydrophobicContact SD-CB 4.48Å; M718-F744 HydrophobicContact SD-CD2 4.03Å; M718-F744 HydrophobicContact SD-CG 4.38Å; F719-F744 HydrophobicContact CE2-CD1 4.46Å; F719-F744 HydrophobicContact CE2-CD2 4.29Å; F719-F744 HydrophobicContact CE2-CE1 4Å; F719-F744 AromaticContact CE2-CE2 3.79Å; F719-F744 HydrophobicContact CE2-CE2 3.79Å; F719-F744 AromaticContact CE2-CZ 3.63Å; F719-F744 HydrophobicContact CE2-CZ 3.63Å; F719-F744 AromaticContact CZ-CD1 3.77Å; F719-F744 HydrophobicContact CZ-CD1 3.77Å; F719-F744 HydrophobicContact CZ-CD2 4.3Å; F719-F744 AromaticContact CZ-CE1 3.52Å; F719-F744 HydrophobicContact CZ-CE1 3.52Å; F719-F744 HydrophobicContact CZ-CE2 4.06Å; F719-F744 HydrophobicContact CZ-CG 4.15Å; F719-F744 AromaticContact CZ-CZ 3.67Å; F719-F744 HydrophobicContact CZ-CZ 3.67Å; M728-F744 HydrophobicContact CE-CZ 4.34Å; D740-F744 PolarHBondContact O-N 3.09Å; F742-F744 PolarHBondContact O-N 3.33Å; F744-V746 VanDerWaalsContact C-N 3.35Å; F744-V746 PolarHBondContact O-N 3.01Å; F744-L747 PolarHBondContact O-N 3.37Å; F744-C748 PolarHBondContact O-N 3.42Å; F744-C748 PolarHBondContact O-SG 3.32Å; F744-C748 VanDerWaalsContact O-SG 3.37Å; F744-L760 HydrophobicContact CE1-CD2 4.32Å; F744-L760 HydrophobicContact CZ-CD2 3.74Å; F744-F762 HydrophobicContact CE1-CE2 4.03Å; F744-F762 HydrophobicContact CE1-CZ 4.45Å; F744-F762 HydrophobicContact CZ-CE2 4.47Å; F744-F857 AromaticContact CD1-CD2 3.9Å; F744-F857 HydrophobicContact CD1-CD2 3.9Å; F744-F857 AromaticContact CD1-CE2 3.75Å; F744-F857 HydrophobicContact CD1-CE2 3.75Å; F744-F857 HydrophobicContact CE1-CE2 4.07Å
745G95.2Very high91.3Very high0 Ų030.8 Ų30.80%015%0.145CC..Hα-helixtrans-58.9-43.2170.200000112.8Y741 F742 F743 C748 G749 G860 F861Y741-G745 PolarHBondContact O-N 3.46Å; F742-G745 CarbonylContact O-C 3.42Å; F742-G745 WeakPolarHBondContact O-CA 3.38Å; F742-G745 PolarHBondContact O-N 3.43Å; F742-G745 VanDerWaalsContact O-N 3.09Å; F743-G745 VanDerWaalsContact C-N 3.3Å; F743-G745 PolarHBondContact O-N 3.06Å; G745-C748 PolarHBondContact O-N 3.36Å; G745-G749 PolarHBondContact O-N 2.98Å; G745-G860 VanDerWaalsContact C-C 3.48Å; G745-F861 VanDerWaalsContact O-CA 3.26Å; G745-F861 WeakPolarHBondContact O-CA 3.29Å; G745-F861 PolarHBondContact O-N 3.3Å
746V94Very high91Very high0 Ų025 Ų250%012%0.12CC..Hα-helixtrans-60.4-45174.4172.20000111L680 F742 F743 F744 C748 G749 L750 V864L680-V746 HydrophobicContact CD1-CG1 4.28Å; L680-V746 HydrophobicContact CD1-CG2 4.25Å; L680-V746 HydrophobicContact CD2-CG1 4.07Å; F742-V746 HydrophobicContact CD1-CG2 4.22Å; F742-V746 HydrophobicContact CE1-CG2 3.78Å; F742-V746 HydrophobicContact CZ-CG2 3.99Å; F742-V746 WeakPolarHBondContact O-CG2 3.5Å; F742-V746 PolarHBondContact O-N 3.48Å; F743-V746 WeakPolarHBondContact O-CB 3.39Å; F743-V746 PolarHBondContact O-N 3.27Å; F743-V746 VanDerWaalsContact O-N 3.17Å; F744-V746 VanDerWaalsContact C-N 3.35Å; F744-V746 PolarHBondContact O-N 3.01Å; V746-C748 PolarHBondContact O-N 3.01Å; V746-G749 CarbonylContact O-C 3.54Å; V746-G749 WeakPolarHBondContact O-CA 3.36Å; V746-G749 PolarHBondContact O-N 3.25Å; V746-G749 VanDerWaalsContact O-N 3.09Å; V746-L750 HydrophobicContact CG1-CD1 3.92Å; V746-L750 HydrophobicContact CG1-CG 4.22Å; V746-L750 WeakPolarHBondContact O-CG 3.26Å; V746-L750 PolarHBondContact O-N 3.34Å; V746-V864 HydrophobicContact CB-CG2 4.47Å; V746-V864 HydrophobicContact CG1-CG2 3.91Å
747L94.1Very high90.7Very high0 Ų023 Ų230%011%0.112CC..Hα-helixtrans-60-43176.7-73.8171.2000112.2T668 L672 F703 I707 F708 M711 F743 F744 G749 L750 S751T668-L747 HydrophobicContact CG2-CD2 4.17Å; L672-L747 HydrophobicContact CD1-CD1 4.43Å; L672-L747 HydrophobicContact CD1-CD2 3.9Å; L672-L747 HydrophobicContact CD1-CG 3.93Å; F703-L747 HydrophobicContact CE1-CD2 4.38Å; F703-L747 HydrophobicContact CZ-CD2 4.4Å; I707-L747 HydrophobicContact CD1-CD1 3.81Å; I707-L747 HydrophobicContact CD1-CD2 4.34Å; F708-L747 HydrophobicContact CZ-CB 3.94Å; M711-L747 HydrophobicContact SD-CD1 3.9Å; F743-L747 WeakPolarHBondContact O-CG 3.34Å; F743-L747 PolarHBondContact O-N 3.48Å; F744-L747 PolarHBondContact O-N 3.37Å; L747-G749 VanDerWaalsContact C-N 3.3Å; L747-G749 PolarHBondContact O-N 2.94Å; L747-L750 PolarHBondContact O-N 3.38Å; L747-S751 PolarHBondContact O-N 2.59Å
748C94.1Very high90.6Very high3 Ų317 Ų172%0.028%0.084CC..Hα-helixtrans-62.5-36.4173.5-67.50000112.4F744 G745 V746 S751 L752 F857 F861F744-C748 PolarHBondContact O-N 3.42Å; F744-C748 PolarHBondContact O-SG 3.32Å; F744-C748 VanDerWaalsContact O-SG 3.37Å; G745-C748 PolarHBondContact O-N 3.36Å; V746-C748 PolarHBondContact O-N 3.01Å; C748-S751 PolarHBondContact O-OG 3.23Å; C748-L752 PolarHBondContact O-N 3.38Å; C748-F857 HydrophobicContact CB-CE2 4.45Å; C748-F861 HydrophobicContact CB-CD2 3.98Å; C748-F861 HydrophobicContact CB-CE2 4.38Å
749G91.3Very high90.4Very high0 Ų016.7 Ų16.70%08%0.083CC..Hα-helixtrans-69.7-40.4175.300000112.7G745 V746 L747 L752 S753 C865G745-G749 PolarHBondContact O-N 2.98Å; V746-G749 CarbonylContact O-C 3.54Å; V746-G749 WeakPolarHBondContact O-CA 3.36Å; V746-G749 PolarHBondContact O-N 3.25Å; V746-G749 VanDerWaalsContact O-N 3.09Å; L747-G749 VanDerWaalsContact C-N 3.3Å; L747-G749 PolarHBondContact O-N 2.94Å; G749-L752 PolarHBondContact O-N 2.93Å; G749-S753 PolarHBondContact O-N 2.98Å; G749-S753 PolarHBondContact O-OG 3.33Å; G749-C865 VanDerWaalsContact CA-SG 3.56Å
750L89.8Confident90.4Very high0 Ų010.9 Ų10.90%06%0.057CC..Hα-helixtrans-66.7-38.7176.8-73.2172.4000111.9L655 L672 L680 F704 V746 L747 L752 S753 N754 V864L655-L750 HydrophobicContact CD2-CD1 4.06Å; L655-L750 HydrophobicContact CD2-CD2 4.31Å; L672-L750 HydrophobicContact CD2-CD1 4.43Å; L680-L750 WeakPolarHBondContact O-CD2 3.47Å; F704-L750 HydrophobicContact CE1-CB 4.3Å; F704-L750 HydrophobicContact CZ-CB 3.91Å; V746-L750 HydrophobicContact CG1-CD1 3.92Å; V746-L750 HydrophobicContact CG1-CG 4.22Å; V746-L750 WeakPolarHBondContact O-CG 3.26Å; V746-L750 PolarHBondContact O-N 3.34Å; L747-L750 PolarHBondContact O-N 3.38Å; L750-L752 VanDerWaalsContact C-N 3.33Å; L750-S753 WeakPolarHBondContact CA-OG 3.34Å; L750-S753 PolarHBondContact O-N 3.17Å; L750-S753 PolarHBondContact O-OG 3.3Å; L750-N754 WeakPolarHBondContact O-CB 3.39Å; L750-N754 PolarHBondContact O-N 3.22Å; L750-N754 PolarHBondContact O-ND2 3.4Å; L750-V864 HydrophobicContact CD2-CG1 4.01Å; L750-V864 HydrophobicContact CD2-CG2 4.36Å; L750-V864 HydrophobicContact CG-CG1 4.38Å; L750-V864 HydrophobicContact CG-CG2 4.18Å
751S89.9Confident90.2Very high0 Ų011.9 Ų11.90%07%0.065CC..Hα-helixtrans-62.2-45.6176.173.10000110.4L747 C748 N754 V755 K756L747-S751 PolarHBondContact O-N 2.59Å; C748-S751 PolarHBondContact O-OG 3.23Å; S751-N754 PolarHBondContact O-N 3.35Å; S751-V755 PolarHBondContact O-N 3.1Å; S751-K756 CarbonylContact C-O 3.47Å; S751-K756 PolarHBondContact O-N 2.9Å
752L88.4Confident90.1Very high1 Ų112 Ų121%0.0057%0.065CC..Hα-helixtrans-62.1-52.1176.6-173.455000111.1M632 C748 G749 L750 N754 V755 F861 I870 L878 A881 I882M632-L752 HydrophobicContact CE-CD1 3.7Å; M632-L752 HydrophobicContact CE-CG 3.61Å; M632-L752 WeakPolarHBondContact CE-O 3.27Å; M632-L752 HydrophobicContact SD-CG 4.09Å; C748-L752 PolarHBondContact O-N 3.38Å; G749-L752 PolarHBondContact O-N 2.93Å; L750-L752 VanDerWaalsContact C-N 3.33Å; L752-N754 PolarHBondContact O-N 3.37Å; L752-V755 WeakPolarHBondContact O-CA 3.41Å; L752-V755 PolarHBondContact O-N 3.23Å; L752-F861 HydrophobicContact CD2-CE2 4.41Å; L752-F861 HydrophobicContact CD2-CZ 3.91Å; L752-I870 HydrophobicContact CD2-CD1 3.64Å; L752-L878 HydrophobicContact CD2-CD1 4.07Å; L752-A881 HydrophobicContact CD1-CB 3.98Å; L752-I882 HydrophobicContact CB-CG1 4.35Å; L752-I882 HydrophobicContact CD1-CG1 4.02Å; L752-I882 HydrophobicContact CD2-CD1 4.25Å; L752-I882 HydrophobicContact CD2-CG1 4.06Å; L752-I882 HydrophobicContact CG-CG1 4.36Å
753S84.9Confident90Very high12 Ų1211.1 Ų11.18%0.0846%0.061CC..Hα-helixtrans-60.3-31.4-177.969.60000114.4M632 G749 L750 V755M632-S753 VanDerWaalsContact SD-CA 3.53Å; G749-S753 PolarHBondContact O-N 2.98Å; G749-S753 PolarHBondContact O-OG 3.33Å; L750-S753 WeakPolarHBondContact CA-OG 3.34Å; L750-S753 PolarHBondContact O-N 3.17Å; L750-S753 PolarHBondContact O-OG 3.3Å; S753-V755 VanDerWaalsContact C-N 3.29Å
754N82.8Confident90Very high36 Ų3611.2 Ų11.219%0.1936%0.063CC..THydrogen-bonded Turntrans-884.8175.3-69-86000113.1L684 L750 S751 L752 K756L684-N754 PolarHBondContact N-OD1 3.4Å; L750-N754 WeakPolarHBondContact O-CB 3.39Å; L750-N754 PolarHBondContact O-N 3.22Å; L750-N754 PolarHBondContact O-ND2 3.4Å; S751-N754 PolarHBondContact O-N 3.35Å; L752-N754 PolarHBondContact O-N 3.37Å; N754-K756 VanDerWaalsContact C-N 3.3Å; N754-K756 HydrophobicContact CB-CG 3.96Å; N754-K756 PolarHBondContact O-N 3.37Å
755V84.4Confident90Very high16 Ų1611.2 Ų11.210%0.0976%0.063CC..THydrogen-bonded Turntrans53.548.2-177.4-165.90000110.5I629 K633 S751 L752 S753 H939 L943I629-V755 HydrophobicContact CG2-CG1 3.82Å; I629-V755 HydrophobicContact CG2-CG2 4.1Å; K633-V755 HydrophobicContact CB-CG2 3.98Å; K633-V755 HydrophobicContact CD-CG2 3.96Å; K633-V755 HydrophobicContact CG-CG2 4.15Å; S751-V755 PolarHBondContact O-N 3.1Å; L752-V755 WeakPolarHBondContact O-CA 3.41Å; L752-V755 PolarHBondContact O-N 3.23Å; S753-V755 VanDerWaalsContact C-N 3.29Å; V755-H939 PolarHBondContact O-CE1 2.95Å; V755-H939 PolarHBondContact O-ND1 3Å; V755-L943 HydrophobicContact CG1-CD1 4.1Å
756K85.3Confident90.1Very high24 Ų2411.3 Ų11.310%0.1046%0.063CC..  trans-112.1123.4178.3-60.5-55.8-174.9169.60109.7G697 S701 F704 S751 N754G697-K756 WeakPolarHBondContact O-CE 3.37Å; G697-K756 PolarHBondContact O-NZ 3Å; S701-K756 PolarHBondContact OG-NZ 3.47Å; F704-K756 HydrophobicContact CD2-CB 3.66Å; F704-K756 HydrophobicContact CD2-CG 3.84Å; F704-K756 HydrophobicContact CE2-CB 4.02Å; F704-K756 HydrophobicContact CE2-CG 3.98Å; S751-K756 CarbonylContact C-O 3.47Å; S751-K756 PolarHBondContact O-N 2.9Å; N754-K756 VanDerWaalsContact C-N 3.3Å; N754-K756 HydrophobicContact CB-CG 3.96Å; N754-K756 PolarHBondContact O-N 3.37Å
757V85.6Confident90.1Very high12 Ų1211.4 Ų11.47%0.0736%0.064CC..  trans-85.2141.6179.3-67.60000110I882 R937 H939V757-I882 CarbonylContact C-O 3.23Å; V757-I882 VanDerWaalsContact CA-O 3.29Å; V757-I882 WeakPolarHBondContact CA-O 3.31Å; V757-R937 HydrophobicContact CG2-CB 3.97Å; V757-H939 WeakPolarHBondContact CG1-ND1 3.15Å
758V87.6Confident90.2Very high2 Ų212.9 Ų12.91%0.0127%0.07CC..  trans-138.2146-173.9-660000111.3F704 F708 L760 I882 T883F704-V758 HydrophobicContact CB-CG1 3.7Å; F704-V758 HydrophobicContact CG-CG1 4.26Å; F708-V758 HydrophobicContact CD2-CB 3.69Å; F708-V758 HydrophobicContact CD2-CG1 3.52Å; F708-V758 HydrophobicContact CD2-CG2 4.15Å; F708-V758 HydrophobicContact CE2-CB 4.02Å; F708-V758 HydrophobicContact CE2-CG1 3.71Å; F708-V758 HydrophobicContact CE2-CG2 4.04Å; F708-V758 HydrophobicContact CG-CB 4.24Å; F708-V758 HydrophobicContact CZ-CG2 4.44Å; V758-L760 HydrophobicContact CG2-CD1 3.65Å; V758-L760 HydrophobicContact CG2-CG 3.77Å; V758-L760 PolarHBondContact O-N 3.48Å; V758-I882 HydrophobicContact CG2-CG2 3.86Å; V758-I882 PolarHBondContact N-O 3.35Å; V758-T883 VanDerWaalsContact O-CA 3.32Å; V758-T883 WeakPolarHBondContact O-CA 3.4Å
759N86Confident90.2Very high62 Ų6213.5 Ų13.533%0.3327%0.073SC..  trans-75.997.8174.7-172.733.3000110.2P761 R937N759-P761 WeakPolarHBondContact O-CD 3.24Å; N759-R937 PolarHBondContact OD1-NH2 3.06Å
760L89.7Confident90.4Very high6 Ų613.6 Ų13.63%0.0317%0.073CC..  trans-115.695.2174.8-75.3174.8000109.3F708 T712 M728 F744 V758 F762 I882 T883F708-L760 HydrophobicContact CD1-CD2 3.5Å; F708-L760 HydrophobicContact CD1-CG 4.33Å; F708-L760 HydrophobicContact CE1-CD1 4.45Å; F708-L760 HydrophobicContact CE1-CD2 3.59Å; F708-L760 HydrophobicContact CE1-CG 4.35Å; F708-L760 HydrophobicContact CG-CD2 4.4Å; T712-L760 HydrophobicContact CG2-CD2 4.28Å; M728-L760 HydrophobicContact CE-CD2 3.83Å; F744-L760 HydrophobicContact CE1-CD2 4.32Å; F744-L760 HydrophobicContact CZ-CD2 3.74Å; V758-L760 HydrophobicContact CG2-CD1 3.65Å; V758-L760 HydrophobicContact CG2-CG 3.77Å; V758-L760 PolarHBondContact O-N 3.48Å; L760-F762 HydrophobicContact CB-CD2 4.37Å; L760-F762 HydrophobicContact CD2-CE2 4.47Å; L760-F762 PolarHBondContact O-N 3.49Å; L760-I882 HydrophobicContact CD1-CG2 3.57Å; L760-T883 HydrophobicContact CB-CG2 4.15Å
761P88.8Confident90.5Very high38 Ų3814.4 Ų14.425%0.2478%0.077CC..  trans-77.145.2-175.632.8-37000112.4C727 M728 N759C727-P761 CarbonylContact C-O 3.32Å; C727-P761 WeakPolarHBondContact CA-O 3.32Å; C727-P761 WeakPolarHBondContact CB-O 3.46Å; M728-P761 HydrophobicContact CB-CG 4.42Å; M728-P761 HydrophobicContact CE-CG 4.22Å; M728-P761 HydrophobicContact CG-CG 4.01Å; M728-P761 PolarHBondContact N-O 3.38Å; M728-P761 HydrophobicContact SD-CG 3.72Å; N759-P761 WeakPolarHBondContact O-CD 3.24Å
762F93.8Very high90.6Very high1 Ų120.6 Ų20.60%0.00410%0.104CC..  trans-84150171.3-79.1-72.8000111.4F719 M728 W729 F730 F744 L760 L766 Y767F719-F762 HydrophobicContact CD1-CE1 4.29Å; F719-F762 HydrophobicContact CD1-CZ 4Å; F719-F762 HydrophobicContact CE1-CE1 4.26Å; F719-F762 AromaticContact CE1-CZ 3.6Å; F719-F762 HydrophobicContact CE1-CZ 3.6Å; F719-F762 AromaticContact CZ-CZ 3.96Å; F719-F762 HydrophobicContact CZ-CZ 3.96Å; M728-F762 HydrophobicContact CE-CD1 4.48Å; M728-F762 HydrophobicContact CE-CD2 3.33Å; M728-F762 HydrophobicContact CE-CE1 4.28Å; M728-F762 HydrophobicContact CE-CE2 3.09Å; M728-F762 HydrophobicContact CE-CG 4.06Å; M728-F762 HydrophobicContact CE-CZ 3.61Å; M728-F762 HydrophobicContact CG-CD1 3.96Å; M728-F762 HydrophobicContact CG-CD2 4.39Å; M728-F762 HydrophobicContact CG-CE1 3.94Å; M728-F762 HydrophobicContact CG-CE2 4.4Å; M728-F762 HydrophobicContact CG-CG 4.19Å; M728-F762 HydrophobicContact CG-CZ 4.17Å; M728-F762 WeakPolarHBondContact O-CD1 3.42Å; M728-F762 HydrophobicContact SD-CE2 4.46Å; W729-F762 AromaticContact CE3-CD1 3.98Å; W729-F762 HydrophobicContact CE3-CD1 3.98Å; W729-F762 HydrophobicContact CE3-CE1 4.36Å; W729-F762 HydrophobicContact CZ3-CD1 4.21Å; F730-F762 HydrophobicContact CD2-CE1 4.33Å; F730-F762 HydrophobicContact CE2-CE1 4.03Å; F730-F762 HydrophobicContact CE2-CZ 4.32Å; F730-F762 HydrophobicContact CZ-CE1 4.29Å; F730-F762 HydrophobicContact CZ-CZ 4.12Å; F744-F762 HydrophobicContact CE1-CE2 4.03Å; F744-F762 HydrophobicContact CE1-CZ 4.45Å; F744-F762 HydrophobicContact CZ-CE2 4.47Å; L760-F762 HydrophobicContact CB-CD2 4.37Å; L760-F762 HydrophobicContact CD2-CE2 4.47Å; L760-F762 PolarHBondContact O-N 3.49Å; F762-L766 HydrophobicContact CB-CB 3.92Å; F762-L766 HydrophobicContact CB-CD2 3.7Å; F762-L766 HydrophobicContact CB-CG 4.44Å; F762-L766 HydrophobicContact CD1-CB 4.42Å; F762-L766 HydrophobicContact CD1-CD2 3.94Å; F762-L766 HydrophobicContact CD2-CD2 3.24Å; F762-L766 HydrophobicContact CE1-CD2 4.35Å; F762-L766 HydrophobicContact CE2-CD2 3.68Å; F762-L766 HydrophobicContact CG-CB 4.22Å; F762-L766 HydrophobicContact CG-CD2 3.37Å; F762-L766 HydrophobicContact CG-CG 4.34Å; F762-L766 HydrophobicContact CZ-CD2 4.23Å; F762-Y767 HydrophobicContact CB-CE2 4.41Å
763P94.3Very high90.7Very high0 Ų024.2 Ų24.20%012%0.121CC..  trans-69164.2170.733.3-36.5000110.9C727 W729 A765 L766 E782 L783 F846C727-P763 HydrophobicContact CB-CB 4.41Å; W729-P763 HydrophobicContact CE3-CG 3.82Å; W729-P763 HydrophobicContact CZ3-CG 3.88Å; P763-A765 HydrophobicContact CG-CB 4.17Å; P763-A765 PolarHBondContact O-N 3.22Å; P763-L766 PolarHBondContact O-N 3.08Å; P763-E782 HydrophobicContact CB-CB 4.27Å; P763-E782 HydrophobicContact CB-CG 4.06Å; P763-L783 HydrophobicContact CB-CB 4.25Å; P763-L783 HydrophobicContact CG-CB 4.14Å; P763-L783 HydrophobicContact CG-CD1 4.27Å; P763-F846 HydrophobicContact CG-CE1 4.46Å
764L94.1Very high91Very high22 Ų2232.6 Ų32.612%0.11516%0.156CC..Hα-helixtrans-54.7-27.5176.4-168.268.3000112.6L766 Y767 K768 E782 P875 E876 K879L764-L766 PolarHBondContact O-N 3.31Å; L764-Y767 PolarHBondContact O-N 3.37Å; L764-Y767 VanDerWaalsContact O-N 3.09Å; L764-K768 PolarHBondContact O-N 2.8Å; L764-E782 VanDerWaalsContact CB-OE2 3.26Å; L764-E782 WeakPolarHBondContact CB-OE2 3.4Å; L764-E782 PolarHBondContact N-OE1 3.45Å; L764-E782 PolarHBondContact N-OE2 3.02Å; L764-P875 HydrophobicContact CD1-CB 3.79Å; L764-P875 HydrophobicContact CD2-CB 4.5Å; L764-P875 HydrophobicContact CG-CB 4.06Å; L764-E876 HydrophobicContact CD1-CG 4.08Å; L764-E876 HydrophobicContact CD2-CG 4.33Å; L764-E876 WeakPolarHBondContact CD2-OE1 3.3Å; L764-K879 HydrophobicContact CD1-CB 4.44Å; L764-K879 HydrophobicContact CD1-CD 4.13Å
765A95.9Very high91.6Very high0 Ų031.6 Ų31.60%015%0.151CC..Hα-helixtrans-49.4-38172.800000113.8W729 P763 Y767 K768 K769 P775 D779 F846W729-A765 HydrophobicContact CH2-CB 4.42Å; W729-A765 HydrophobicContact CZ3-CB 4.47Å; P763-A765 HydrophobicContact CG-CB 4.17Å; P763-A765 PolarHBondContact O-N 3.22Å; A765-Y767 PolarHBondContact O-N 2.92Å; A765-K768 PolarHBondContact O-N 3.37Å; A765-K769 VanDerWaalsContact O-CG 3.22Å; A765-K769 WeakPolarHBondContact O-CG 3.42Å; A765-K769 PolarHBondContact O-N 3.41Å; A765-P775 HydrophobicContact CB-CB 3.93Å; A765-P775 HydrophobicContact CB-CG 4Å; A765-D779 HydrophobicContact CB-CB 3.75Å; A765-F846 HydrophobicContact CB-CD1 3.68Å; A765-F846 HydrophobicContact CB-CE1 3.38Å; A765-F846 HydrophobicContact CB-CE2 4.4Å; A765-F846 HydrophobicContact CB-CG 4.32Å; A765-F846 HydrophobicContact CB-CZ 3.78Å
766L96.4Very high92.1Very high3 Ų333 Ų332%0.01616%0.162CC..Hα-helixtrans-60.8-48.6179.1178.364.2000111.1W729 F730 F762 P763 L764 K769 L770 Y854 F857W729-L766 HydrophobicContact CZ3-CB 4.17Å; F730-L766 HydrophobicContact CE2-CD1 3.82Å; F730-L766 HydrophobicContact CZ-CD1 4.23Å; F762-L766 HydrophobicContact CB-CB 3.92Å; F762-L766 HydrophobicContact CB-CD2 3.7Å; F762-L766 HydrophobicContact CB-CG 4.44Å; F762-L766 HydrophobicContact CD1-CB 4.42Å; F762-L766 HydrophobicContact CD1-CD2 3.94Å; F762-L766 HydrophobicContact CD2-CD2 3.24Å; F762-L766 HydrophobicContact CE1-CD2 4.35Å; F762-L766 HydrophobicContact CE2-CD2 3.68Å; F762-L766 HydrophobicContact CG-CB 4.22Å; F762-L766 HydrophobicContact CG-CD2 3.37Å; F762-L766 HydrophobicContact CG-CG 4.34Å; F762-L766 HydrophobicContact CZ-CD2 4.23Å; P763-L766 PolarHBondContact O-N 3.08Å; L764-L766 PolarHBondContact O-N 3.31Å; L766-K769 PolarHBondContact O-N 3.34Å; L766-L770 PolarHBondContact O-N 3.03Å; L766-Y854 HydrophobicContact CD1-CD2 4.5Å; L766-Y854 HydrophobicContact CD1-CE2 3.96Å; L766-F857 HydrophobicContact CD1-CD1 4.3Å; L766-F857 HydrophobicContact CD1-CE1 3.7Å; L766-F857 HydrophobicContact CD1-CZ 4.3Å; L766-F857 HydrophobicContact CD2-CE1 4.35Å; L766-F857 HydrophobicContact CD2-CZ 4.15Å; L766-F857 HydrophobicContact CG-CE1 4.4Å
767Y95.6Very high92.5Very high2 Ų233 Ų331%0.00816%0.163CC..Hα-helixtrans-69.7-38.1-176.3-53.2-82000110.8F762 L764 A765 K769 L770 L771 L878 K879 I882 T883F762-Y767 HydrophobicContact CB-CE2 4.41Å; L764-Y767 PolarHBondContact O-N 3.37Å; L764-Y767 VanDerWaalsContact O-N 3.09Å; A765-Y767 PolarHBondContact O-N 2.92Å; Y767-K769 VanDerWaalsContact C-N 3.35Å; Y767-K769 PolarHBondContact O-N 2.9Å; Y767-L770 PolarHBondContact O-N 3.24Å; Y767-L771 VanDerWaalsContact O-CG 3.3Å; Y767-L771 WeakPolarHBondContact O-CG 3.5Å; Y767-L771 PolarHBondContact O-N 3.17Å; Y767-L771 VanDerWaalsContact O-N 3.07Å; Y767-L878 HydrophobicContact CD1-CB 4.46Å; Y767-L878 HydrophobicContact CD1-CD2 4.33Å; Y767-L878 HydrophobicContact CD1-CG 4.04Å; Y767-K879 HydrophobicContact CD1-CB 4.09Å; Y767-K879 HydrophobicContact CD2-CB 3.71Å; Y767-K879 HydrophobicContact CD2-CD 4.11Å; Y767-K879 HydrophobicContact CD2-CG 3.96Å; Y767-K879 HydrophobicContact CE1-CB 4.1Å; Y767-K879 HydrophobicContact CE1-CG 4.41Å; Y767-K879 HydrophobicContact CE2-CB 3.73Å; Y767-K879 HydrophobicContact CE2-CD 3.8Å; Y767-K879 HydrophobicContact CE2-CG 3.5Å; Y767-K879 HydrophobicContact CG-CB 3.88Å; Y767-I882 HydrophobicContact CD1-CD1 4.26Å; Y767-I882 HydrophobicContact CE1-CB 4.47Å; Y767-I882 HydrophobicContact CE1-CD1 3.88Å; Y767-T883 WeakPolarHBondContact OH-CG2 3.47Å
768K95.1Very high92.9Very high30 Ų3037.7 Ų37.713%0.1318%0.184CC..Hα-helixtrans-55.1-49.1167.7-76.5176.5175.1167.40111.5L764 A765 L770 L771 K772 Q773 D779 P875L764-K768 PolarHBondContact O-N 2.8Å; A765-K768 PolarHBondContact O-N 3.37Å; K768-L770 PolarHBondContact O-N 3.16Å; K768-L771 CarbonylContact O-C 3.08Å; K768-L771 WeakPolarHBondContact O-CA 3.35Å; K768-L771 PolarHBondContact O-N 3.36Å; K768-L771 VanDerWaalsContact O-N 3.12Å; K768-K772 PolarHBondContact O-N 3.12Å; K768-K772 VanDerWaalsContact O-N 3.1Å; K768-Q773 CarbonylContact C-O 3.57Å; K768-Q773 HydrophobicContact CB-CB 4Å; K768-Q773 HydrophobicContact CG-CB 4.31Å; K768-Q773 WeakPolarHBondContact O-CA 3.41Å; K768-Q773 WeakPolarHBondContact O-CB 3.33Å; K768-Q773 PolarHBondContact O-N 3.01Å; K768-D779 VanDerWaalsContact CD-OD2 3.25Å; K768-D779 WeakPolarHBondContact CD-OD2 3.23Å; K768-D779 IonicContact NZ-OD1 3.19Å; K768-D779 PolarHBondContact NZ-OD1 3.2Å; K768-D779 IonicContact NZ-OD2 2.72Å; K768-D779 PolarHBondContact NZ-OD2 3.35Å; K768-P875 HydrophobicContact CG-CB 3.74Å; K768-P875 HydrophobicContact CG-CG 3.64Å
769K95.2Very high93.3Very high17 Ų1737.8 Ų37.87%0.07418%0.184CC..Hα-helixtrans-63.8-40.5-179.8-68.6168.362.772.20112.5W729 A765 L766 Y767 L771 K772 P775 F846 N847 Y854W729-K769 HydrophobicContact CH2-CD 3.88Å; W729-K769 HydrophobicContact CZ2-CD 4.26Å; A765-K769 VanDerWaalsContact O-CG 3.22Å; A765-K769 WeakPolarHBondContact O-CG 3.42Å; A765-K769 PolarHBondContact O-N 3.41Å; L766-K769 PolarHBondContact O-N 3.34Å; Y767-K769 VanDerWaalsContact C-N 3.35Å; Y767-K769 PolarHBondContact O-N 2.9Å; K769-L771 PolarHBondContact O-N 3.33Å; K769-K772 PolarHBondContact O-N 3.47Å; K769-P775 HydrophobicContact CD-CG 4.09Å; K769-P775 HydrophobicContact CG-CG 3.7Å; K769-F846 VanDerWaalsContact CE-O 3.24Å; K769-F846 WeakPolarHBondContact CE-O 3.47Å; K769-F846 PolarHBondContact NZ-O 3.46Å; K769-N847 PolarHBondContact NZ-OD1 3.49Å; K769-Y854 HydrophobicContact CB-CE1 4.24Å; K769-Y854 HydrophobicContact CB-CE2 4Å; K769-Y854 WeakPolarHBondContact CB-OH 3.15Å; K769-Y854 HydrophobicContact CD-CE2 4.28Å; K769-Y854 VanDerWaalsContact CE-CD2 3.49Å; K769-Y854 VanDerWaalsContact CE-CE2 3.43Å; K769-Y854 PolarHBondContact O-OH 2.88Å
770L95.1Very high93.6Very high2 Ų234.8 Ų34.81%0.0117%0.169CC..Hα-helixtrans-57-42.4173.5-74.4172.3000110.6L766 Y767 K768 K772 Y854 F857 Y858 F861 Y862 L878L766-L770 PolarHBondContact O-N 3.03Å; Y767-L770 PolarHBondContact O-N 3.24Å; K768-L770 PolarHBondContact O-N 3.16Å; L770-K772 PolarHBondContact O-N 3.31Å; L770-Y854 PolarHBondContact N-OH 3.23Å; L770-F857 HydrophobicContact CD1-CE1 4.4Å; L770-F857 HydrophobicContact CD2-CE1 3.97Å; L770-F857 HydrophobicContact CG-CE1 4.42Å; L770-Y858 HydrophobicContact CD2-CD2 4.21Å; L770-F861 HydrophobicContact CD1-CD1 4.38Å; L770-F861 HydrophobicContact CD1-CD2 4.47Å; L770-F861 HydrophobicContact CD1-CE1 4.23Å; L770-F861 HydrophobicContact CD1-CE2 4.33Å; L770-F861 HydrophobicContact CD1-CG 4.49Å; L770-F861 HydrophobicContact CD1-CZ 4.2Å; L770-F861 HydrophobicContact CD2-CB 4.25Å; L770-F861 HydrophobicContact CD2-CD1 3.76Å; L770-F861 HydrophobicContact CD2-CE1 4.29Å; L770-F861 HydrophobicContact CD2-CG 3.98Å; L770-Y862 HydrophobicContact CD2-CE2 3.99Å; L770-Y862 PolarHBondContact O-OH 3.36Å; L770-L878 HydrophobicContact CB-CD2 4.17Å; L770-L878 HydrophobicContact CD1-CD2 4.25Å
771L92.1Very high93.8Very high16 Ų1636.6 Ų36.68%0.08418%0.176CC..THydrogen-bonded Turntrans-77.45176.1-61171.5000114.5Y767 K768 K769 Q773 I870 F873 P875 L878Y767-L771 VanDerWaalsContact O-CG 3.3Å; Y767-L771 WeakPolarHBondContact O-CG 3.5Å; Y767-L771 PolarHBondContact O-N 3.17Å; Y767-L771 VanDerWaalsContact O-N 3.07Å; K768-L771 CarbonylContact O-C 3.08Å; K768-L771 WeakPolarHBondContact O-CA 3.35Å; K768-L771 PolarHBondContact O-N 3.36Å; K768-L771 VanDerWaalsContact O-N 3.12Å; K769-L771 PolarHBondContact O-N 3.33Å; L771-Q773 HydrophobicContact CB-CG 4.16Å; L771-Q773 PolarHBondContact O-N 3.37Å; L771-I870 HydrophobicContact CD2-CG2 3.95Å; L771-I870 WeakPolarHBondContact CD2-O 3.29Å; L771-F873 WeakPolarHBondContact CD1-O 3.42Å; L771-F873 HydrophobicContact CD2-CB 4.45Å; L771-P875 HydrophobicContact CD1-CB 4.25Å; L771-P875 HydrophobicContact CD1-CG 3.89Å; L771-L878 HydrophobicContact CD1-CD2 4.4Å; L771-L878 HydrophobicContact CD2-CD2 4.13Å; L771-L878 HydrophobicContact CG-CD2 4.04Å
772K91.4Very high94Very high130 Ų13038.1 Ų38.157%0.56518%0.18SC*.THydrogen-bonded Turntrans59.625.4-174.6-56.1-175.8170.4-171.60114.4K768 K769 L770 Y858K768-K772 PolarHBondContact O-N 3.12Å; K768-K772 VanDerWaalsContact O-N 3.1Å; K769-K772 PolarHBondContact O-N 3.47Å; L770-K772 PolarHBondContact O-N 3.31Å; K772-Y858 WeakPolarHBondContact CE-OH 3.5Å
773Q90.8Very high93.9Very high78 Ų7838.1 Ų38.136%0.36418%0.18SC..PPolyproline II helixtrans-88.8148.9169.8-57.4-174.315.600110.2K768 L771 P875K768-Q773 CarbonylContact C-O 3.57Å; K768-Q773 HydrophobicContact CB-CB 4Å; K768-Q773 HydrophobicContact CG-CB 4.31Å; K768-Q773 WeakPolarHBondContact O-CA 3.41Å; K768-Q773 WeakPolarHBondContact O-CB 3.33Å; K768-Q773 PolarHBondContact O-N 3.01Å; L771-Q773 HydrophobicContact CB-CG 4.16Å; L771-Q773 PolarHBondContact O-N 3.37Å; Q773-P875 VanDerWaalsContact OE1-CG 3.31Å
774K91.5Very high93.9Very high187 Ų18738.4 Ų38.481%0.81318%0.182SC*.PPolyproline II helixtrans-81.2130179-67.8-175.7179.5-177.20110.2
775P95.1Very high93.7Very high15 Ų1543.6 Ų43.610%0.09720%0.204CC..PPolyproline II helixtrans-60.5148.9168-26.838.5000112.2A765 K769 D779 F846A765-P775 HydrophobicContact CB-CB 3.93Å; A765-P775 HydrophobicContact CB-CG 4Å; K769-P775 HydrophobicContact CD-CG 4.09Å; K769-P775 HydrophobicContact CG-CG 3.7Å; P775-D779 VanDerWaalsContact CA-OD2 3.25Å; P775-D779 WeakPolarHBondContact CA-OD2 3.46Å; P775-D779 HydrophobicContact CB-CB 4.48Å; P775-F846 HydrophobicContact CB-CB 4.06Å; P775-F846 HydrophobicContact CB-CD1 4.47Å; P775-F846 HydrophobicContact CB-CD2 3.42Å; P775-F846 VanDerWaalsContact CB-CD2 3.42Å; P775-F846 HydrophobicContact CB-CE2 3.88Å; P775-F846 HydrophobicContact CB-CG 3.75Å; P775-F846 HydrophobicContact CG-CB 3.84Å; P775-F846 HydrophobicContact CG-CD2 4.15Å; P775-F846 HydrophobicContact CG-CG 3.97Å
776S94.4Very high93.5Very high46 Ų4647 Ų4732%0.32223%0.226SC..  trans-114175.5179.469.90000111.8E778 D779 L780S776-E778 PolarHBondContact O-N 3.12Å; S776-E778 PolarHBondContact OG-N 2.82Å; S776-D779 PolarHBondContact N-OD2 2.68Å; S776-D779 WeakPolarHBondContact O-CB 3.4Å; S776-D779 PolarHBondContact O-N 3.24Å; S776-D779 VanDerWaalsContact O-N 3.15Å; S776-D779 PolarHBondContact OG-OD2 3.36Å; S776-L780 PolarHBondContact O-N 3.19Å
777L94.5Very high93.2Very high23 Ų2348.8 Ų48.812%0.1224%0.235CC..Hα-helixtrans-61.1-31.9173.8-178.860.5000112.5D779 L780 K781 L791 Q792 L795 V838 V842L777-D779 VanDerWaalsContact C-N 3.31Å; L777-D779 PolarHBondContact O-N 3.46Å; L777-L780 HydrophobicContact CD1-CB 4.49Å; L777-L780 HydrophobicContact CD1-CD2 4.32Å; L777-L780 WeakPolarHBondContact O-CB 3.47Å; L777-L780 PolarHBondContact O-N 3.26Å; L777-L780 VanDerWaalsContact O-N 3.13Å; L777-K781 PolarHBondContact O-N 3.08Å; L777-L791 HydrophobicContact CD1-CB 3.85Å; L777-L791 HydrophobicContact CD1-CD1 4.36Å; L777-Q792 HydrophobicContact CD2-CB 4.13Å; L777-L795 HydrophobicContact CD2-CD1 3.81Å; L777-V838 HydrophobicContact CD1-CG1 4.25Å; L777-V838 HydrophobicContact CD2-CG1 4.24Å; L777-V842 HydrophobicContact CD1-CG2 4.36Å
778E93.9Very high93Very high112 Ų11248.7 Ų48.752%0.52324%0.235SC..Hα-helixtrans-63.1-37.9174.4-64.4-53.5131.900111.9S776 L780 K781 E782S776-E778 PolarHBondContact O-N 3.12Å; S776-E778 PolarHBondContact OG-N 2.82Å; E778-L780 PolarHBondContact O-N 3.3Å; E778-K781 WeakPolarHBondContact O-CB 3.24Å; E778-K781 PolarHBondContact O-N 2.69Å; E778-K781 IonicContact OE1-NZ 2.71Å; E778-K781 PolarHBondContact OE1-NZ 3.21Å; E778-K781 IonicContact OE2-NZ 3.44Å; E778-E782 PolarHBondContact O-N 3.05Å; E778-E782 VanDerWaalsContact O-N 3.13Å
779D94.8Very high92.9Very high3 Ų352.3 Ų52.32%0.01625%0.251CS..Hα-helixtrans-67.6-30.3175.7-54.5-54.9000111.7A765 K768 P775 S776 L777 E782 L783 F846A765-D779 HydrophobicContact CB-CB 3.75Å; K768-D779 VanDerWaalsContact CD-OD2 3.25Å; K768-D779 WeakPolarHBondContact CD-OD2 3.23Å; K768-D779 IonicContact NZ-OD1 3.19Å; K768-D779 PolarHBondContact NZ-OD1 3.2Å; K768-D779 IonicContact NZ-OD2 2.72Å; K768-D779 PolarHBondContact NZ-OD2 3.35Å; P775-D779 VanDerWaalsContact CA-OD2 3.25Å; P775-D779 WeakPolarHBondContact CA-OD2 3.46Å; P775-D779 HydrophobicContact CB-CB 4.48Å; S776-D779 PolarHBondContact N-OD2 2.68Å; S776-D779 WeakPolarHBondContact O-CB 3.4Å; S776-D779 PolarHBondContact O-N 3.24Å; S776-D779 VanDerWaalsContact O-N 3.15Å; S776-D779 PolarHBondContact OG-OD2 3.36Å; L777-D779 VanDerWaalsContact C-N 3.31Å; L777-D779 PolarHBondContact O-N 3.46Å; D779-E782 PolarHBondContact O-N 3.49Å; D779-L783 PolarHBondContact O-N 3.33Å; D779-L783 VanDerWaalsContact O-N 3.08Å; D779-F846 HydrophobicContact CB-CE2 4.2Å; D779-F846 HydrophobicContact CB-CZ 4.01Å
780L93.8Very high92.8Very high0 Ų054.4 Ų54.40%027%0.268CS..Hα-helixtrans-71-35.3174.1-17657.6000111.6S776 L777 E778 E782 L783 S784 L787 L791 V842 I845 F846S776-L780 PolarHBondContact O-N 3.19Å; L777-L780 HydrophobicContact CD1-CB 4.49Å; L777-L780 HydrophobicContact CD1-CD2 4.32Å; L777-L780 WeakPolarHBondContact O-CB 3.47Å; L777-L780 PolarHBondContact O-N 3.26Å; L777-L780 VanDerWaalsContact O-N 3.13Å; E778-L780 PolarHBondContact O-N 3.3Å; L780-E782 VanDerWaalsContact C-N 3.28Å; L780-E782 PolarHBondContact O-N 2.93Å; L780-L783 PolarHBondContact O-N 3.4Å; L780-S784 CarbonylContact O-C 3.59Å; L780-S784 PolarHBondContact O-N 3.13Å; L780-S784 VanDerWaalsContact O-O 3.06Å; L780-L787 HydrophobicContact CD1-CD2 4.41Å; L780-L787 HydrophobicContact CD2-CG 4.44Å; L780-L791 HydrophobicContact CD2-CD1 3.56Å; L780-V842 HydrophobicContact CD2-CG2 4.18Å; L780-I845 HydrophobicContact CD1-CD1 3.8Å; L780-I845 HydrophobicContact CD1-CG2 4.2Å; L780-I845 HydrophobicContact CD2-CD1 4.01Å; L780-F846 HydrophobicContact CB-CE2 3.93Å; L780-F846 HydrophobicContact CB-CZ 4.17Å; L780-F846 HydrophobicContact CD1-CE2 4.46Å; L780-F846 HydrophobicContact CD1-CZ 4.35Å
781K92.9Very high92.7Very high44 Ų4454.6 Ų54.619%0.19127%0.268CS..Hα-helixtrans-63.7-34.4172.3-67.6172-172.6166.40112.1L777 E778 F785L777-K781 PolarHBondContact O-N 3.08Å; E778-K781 WeakPolarHBondContact O-CB 3.24Å; E778-K781 PolarHBondContact O-N 2.69Å; E778-K781 IonicContact OE1-NZ 2.71Å; E778-K781 PolarHBondContact OE1-NZ 3.21Å; E778-K781 IonicContact OE2-NZ 3.44Å; K781-F785 WeakPolarHBondContact O-CA 3.39Å; K781-F785 PolarHBondContact O-N 2.75Å
782E92.9Very high92.8Very high70 Ų7056 Ų5633%0.32728%0.275SS..Hα-helixtrans-67.9-39.7172.6-172-175.5-179.400111.7P763 L764 E778 D779 L780 K879P763-E782 HydrophobicContact CB-CB 4.27Å; P763-E782 HydrophobicContact CB-CG 4.06Å; L764-E782 VanDerWaalsContact CB-OE2 3.26Å; L764-E782 WeakPolarHBondContact CB-OE2 3.4Å; L764-E782 PolarHBondContact N-OE1 3.45Å; L764-E782 PolarHBondContact N-OE2 3.02Å; E778-E782 PolarHBondContact O-N 3.05Å; E778-E782 VanDerWaalsContact O-N 3.13Å; D779-E782 PolarHBondContact O-N 3.49Å; L780-E782 VanDerWaalsContact C-N 3.28Å; L780-E782 PolarHBondContact O-N 2.93Å; E782-K879 IonicContact OE1-NZ 3.55Å; E782-K879 PolarHBondContact OE1-NZ 3.44Å
783L93.1Very high92.8Very high0 Ų054.3 Ų54.30%027%0.269CS..Hα-helixtrans-74.9-44.5179.817757.5000113.4P722 C727 W729 P763 D779 L780 W813 I845 F846P722-L783 HydrophobicContact CG-CD1 3.9Å; P722-L783 HydrophobicContact CG-CG 4.11Å; C727-L783 HydrophobicContact CB-CD1 4.18Å; W729-L783 HydrophobicContact CB-CD1 3.74Å; W729-L783 HydrophobicContact CB-CD2 4.05Å; W729-L783 HydrophobicContact CD2-CD2 4.09Å; W729-L783 HydrophobicContact CG-CD1 4.37Å; W729-L783 HydrophobicContact CG-CD2 3.84Å; P763-L783 HydrophobicContact CB-CB 4.25Å; P763-L783 HydrophobicContact CG-CB 4.14Å; P763-L783 HydrophobicContact CG-CD1 4.27Å; D779-L783 PolarHBondContact O-N 3.33Å; D779-L783 VanDerWaalsContact O-N 3.08Å; L780-L783 PolarHBondContact O-N 3.4Å; L783-W813 HydrophobicContact CD2-CH2 3.82Å; L783-W813 HydrophobicContact CD2-CZ2 4.05Å; L783-W813 HydrophobicContact CG-CH2 4.25Å; L783-I845 HydrophobicContact CD2-CG2 4.12Å; L783-F846 HydrophobicContact CB-CE1 4.49Å; L783-F846 HydrophobicContact CB-CZ 4.41Å; L783-F846 HydrophobicContact CD2-CE1 3.66Å; L783-F846 HydrophobicContact CD2-CZ 4.14Å
784S92.3Very high92.8Very high7 Ų751.1 Ų51.15%0.04926%0.255CS..  trans-14696.2-178.4176.50000109.1E723 L780 L787 G788E723-S784 VanDerWaalsContact OE1-CA 3.3Å; E723-S784 WeakPolarHBondContact OE1-CA 3.28Å; E723-S784 WeakPolarHBondContact OE1-CB 3.49Å; E723-S784 PolarHBondContact OE1-OG 3.29Å; E723-S784 WeakPolarHBondContact OE2-CA 3.3Å; L780-S784 CarbonylContact O-C 3.59Å; L780-S784 PolarHBondContact O-N 3.13Å; L780-S784 VanDerWaalsContact O-O 3.06Å; S784-L787 PolarHBondContact O-N 3.35Å; S784-L787 WeakPolarHBondContact OG-CB 3.48Å; S784-G788 PolarHBondContact O-N 3.22Å
785F91.1Very high92.8Very high131 Ų13144.7 Ų44.758%0.57523%0.229SC*.Hα-helixtrans-59.1-46.3-177.8179.4-95.6000112.8K781 K789K781-F785 WeakPolarHBondContact O-CA 3.39Å; K781-F785 PolarHBondContact O-N 2.75Å; F785-K789 HydrophobicContact CE1-CD 4.18Å; F785-K789 HydrophobicContact CZ-CD 4.29Å; F785-K789 VanDerWaalsContact O-CB 3.23Å; F785-K789 WeakPolarHBondContact O-CB 3.49Å; F785-K789 PolarHBondContact O-N 2.81Å
786P90.9Very high92.6Very high70 Ų7049.3 Ų49.346%0.45525%0.253SS..Hα-helixtrans-59.9-49.4178.7-22.134.3000112.4E723 K789 S790E723-P786 HydrophobicContact CG-CG 4.4Å; E723-P786 WeakPolarHBondContact OE1-CD 3.49Å; P786-K789 PolarHBondContact O-N 2.91Å; P786-S790 PolarHBondContact O-N 3.1Å; P786-S790 PolarHBondContact O-OG 3.16Å; P786-S790 VanDerWaalsContact O-OG 3.14Å
787L90.9Very high92.3Very high42 Ų4248.3 Ų48.322%0.2225%0.246CC..Hα-helixtrans-66.8-44.4-178-178.460.1000111.9L780 S784 K789 S790 L791 W813 I845L780-L787 HydrophobicContact CD1-CD2 4.41Å; L780-L787 HydrophobicContact CD2-CG 4.44Å; S784-L787 PolarHBondContact O-N 3.35Å; S784-L787 WeakPolarHBondContact OG-CB 3.48Å; L787-K789 VanDerWaalsContact C-N 3.29Å; L787-K789 PolarHBondContact O-N 2.96Å; L787-S790 PolarHBondContact O-N 3.31Å; L787-L791 HydrophobicContact CD1-CD1 4.48Å; L787-L791 HydrophobicContact CD1-CG 4.42Å; L787-L791 HydrophobicContact CG-CD1 4.41Å; L787-L791 WeakPolarHBondContact O-CG 3.23Å; L787-L791 PolarHBondContact O-N 3.36Å; L787-W813 HydrophobicContact CD2-CE3 3.68Å; L787-W813 HydrophobicContact CD2-CZ3 3.67Å; L787-I845 HydrophobicContact CD2-CD1 3.7Å
788G92.2Very high91.6Very high0 Ų054.4 Ų54.40%027%0.274CS..Hα-helixtrans-62.4-36.7177.100000112.6S784 Q792S784-G788 PolarHBondContact O-N 3.22Å; G788-Q792 PolarHBondContact O-N 3.29Å; G788-Q792 VanDerWaalsContact O-N 3.11Å
789K92.6Very high90.5Very high105 Ų10553.1 Ų53.146%0.45728%0.282SS..Hα-helixtrans-67.2-47174.3-171.4-175.1179-157.50111.5F785 P786 L787 L791 Q792 E793F785-K789 HydrophobicContact CE1-CD 4.18Å; F785-K789 HydrophobicContact CZ-CD 4.29Å; F785-K789 VanDerWaalsContact O-CB 3.23Å; F785-K789 WeakPolarHBondContact O-CB 3.49Å; F785-K789 PolarHBondContact O-N 2.81Å; P786-K789 PolarHBondContact O-N 2.91Å; L787-K789 VanDerWaalsContact C-N 3.29Å; L787-K789 PolarHBondContact O-N 2.96Å; K789-L791 VanDerWaalsContact C-N 3.33Å; K789-L791 PolarHBondContact O-N 3.14Å; K789-Q792 WeakPolarHBondContact O-CB 3.15Å; K789-Q792 PolarHBondContact O-N 2.94Å; K789-Q792 VanDerWaalsContact O-N 3.09Å; K789-E793 WeakPolarHBondContact CE-OE1 3.42Å; K789-E793 IonicContact NZ-OE1 3.61Å; K789-E793 WeakPolarHBondContact O-CG 3.5Å; K789-E793 PolarHBondContact O-N 3.36Å
790S92.1Very high89.2Confident62 Ų6254.9 Ų54.943%0.43430%0.301SS..Hα-helixtrans-60.1-41177.9-62.90000112.4P786 L787 Q792 E793 V794P786-S790 PolarHBondContact O-N 3.1Å; P786-S790 PolarHBondContact O-OG 3.16Å; P786-S790 VanDerWaalsContact O-OG 3.14Å; L787-S790 PolarHBondContact O-N 3.31Å; S790-Q792 VanDerWaalsContact C-N 3.33Å; S790-Q792 PolarHBondContact O-N 2.95Å; S790-E793 PolarHBondContact O-N 3.26Å; S790-V794 WeakPolarHBondContact O-CG2 3.39Å; S790-V794 PolarHBondContact O-N 3.09Å; S790-V794 VanDerWaalsContact O-N 3.08Å
791L93.6Very high88.5Confident5 Ų558.4 Ų58.43%0.02632%0.319CS..Hα-helixtrans-69.2-30.1175.9-67.1177.8000113L777 L780 L787 K789 L795 Y837 V838 C841L777-L791 HydrophobicContact CD1-CB 3.85Å; L777-L791 HydrophobicContact CD1-CD1 4.36Å; L780-L791 HydrophobicContact CD2-CD1 3.56Å; L787-L791 HydrophobicContact CD1-CD1 4.48Å; L787-L791 HydrophobicContact CD1-CG 4.42Å; L787-L791 HydrophobicContact CG-CD1 4.41Å; L787-L791 WeakPolarHBondContact O-CG 3.23Å; L787-L791 PolarHBondContact O-N 3.36Å; K789-L791 VanDerWaalsContact C-N 3.33Å; K789-L791 PolarHBondContact O-N 3.14Å; L791-L795 PolarHBondContact O-N 3.26Å; L791-Y837 HydrophobicContact CD2-CD1 4.45Å; L791-Y837 HydrophobicContact CD2-CE1 3.69Å; L791-V838 HydrophobicContact CB-CG1 4.27Å; L791-V838 HydrophobicContact CB-CG2 4.3Å; L791-V838 HydrophobicContact CD2-CG2 4.31Å; L791-C841 HydrophobicContact CD1-CB 3.74Å; L791-C841 HydrophobicContact CD2-CB 4.4Å
792Q94.3Very high88Confident47 Ų4756.3 Ų56.322%0.2231%0.31CS..Hα-helixtrans-68-39.8171.7-175.168.168.800111.5L777 G788 K789 S790 V794 L795 N796L777-Q792 HydrophobicContact CD2-CB 4.13Å; G788-Q792 PolarHBondContact O-N 3.29Å; G788-Q792 VanDerWaalsContact O-N 3.11Å; K789-Q792 WeakPolarHBondContact O-CB 3.15Å; K789-Q792 PolarHBondContact O-N 2.94Å; K789-Q792 VanDerWaalsContact O-N 3.09Å; S790-Q792 VanDerWaalsContact C-N 3.33Å; S790-Q792 PolarHBondContact O-N 2.95Å; Q792-V794 VanDerWaalsContact C-N 3.33Å; Q792-L795 PolarHBondContact O-N 2.98Å; Q792-N796 PolarHBondContact NE2-OD1 3.49Å; Q792-N796 VanDerWaalsContact NE2-OD1 3.14Å; Q792-N796 PolarHBondContact O-N 2.68Å; Q792-N796 VanDerWaalsContact O-N 3.1Å; Q792-N796 PolarHBondContact O-OD1 3.07Å
793E91.6Very high87.4Confident93 Ų9356.7 Ų56.744%0.43531%0.312SS..Hα-helixtrans-61.1-42.2175.5-72.1168.6179.800110.7K789 S790 L795 N796 C797K789-E793 WeakPolarHBondContact CE-OE1 3.42Å; K789-E793 IonicContact NZ-OE1 3.61Å; K789-E793 WeakPolarHBondContact O-CG 3.5Å; K789-E793 PolarHBondContact O-N 3.36Å; S790-E793 PolarHBondContact O-N 3.26Å; E793-L795 VanDerWaalsContact C-N 3.29Å; E793-L795 PolarHBondContact O-N 3.42Å; E793-N796 CarbonylContact O-C 3.54Å; E793-N796 PolarHBondContact O-N 2.71Å; E793-C797 PolarHBondContact O-N 2.75Å; E793-C797 PolarHBondContact O-SG 2.72Å
794V91.2Very high87Confident12 Ų1263.6 Ų63.67%0.07335%0.345CS..Hα-helixtrans-56.9-39.1173.21730000112.6S790 Q792 N796 L805 I807 K834 Y837 V838S790-V794 WeakPolarHBondContact O-CG2 3.39Å; S790-V794 PolarHBondContact O-N 3.09Å; S790-V794 VanDerWaalsContact O-N 3.08Å; Q792-V794 VanDerWaalsContact C-N 3.33Å; V794-N796 VanDerWaalsContact C-N 3.31Å; V794-L805 HydrophobicContact CG2-CD1 4.05Å; V794-I807 HydrophobicContact CG1-CD1 4.02Å; V794-I807 HydrophobicContact CG2-CD1 3.65Å; V794-K834 HydrophobicContact CG1-CB 4.24Å; V794-Y837 HydrophobicContact CG1-CD1 4.36Å; V794-V838 HydrophobicContact CG1-CG2 4.33Å
795L90.9Very high86.5Confident51 Ų5167.1 Ų67.127%0.26736%0.362SS..Hα-helixtrans-69.6-30.6175.7-67.9177.4000112.8L777 L791 Q792 E793 Q835 V838L777-L795 HydrophobicContact CD2-CD1 3.81Å; L791-L795 PolarHBondContact O-N 3.26Å; Q792-L795 PolarHBondContact O-N 2.98Å; E793-L795 VanDerWaalsContact C-N 3.29Å; E793-L795 PolarHBondContact O-N 3.42Å; L795-Q835 HydrophobicContact CD2-CG 4.21Å; L795-V838 HydrophobicContact CD1-CG1 4.11Å; L795-V838 HydrophobicContact CD2-CB 4.12Å; L795-V838 HydrophobicContact CD2-CG2 3.86Å; L795-V838 HydrophobicContact CG-CB 4.39Å; L795-V838 HydrophobicContact CG-CG1 4.38Å; L795-V838 HydrophobicContact CG-CG2 3.95Å
796N90.4Very high86.2Confident112 Ų11268.3 Ų68.360%0.59937%0.369SS*.Hα-helixtrans-89.3-12.1-174.2-66.7-3.6000113.7Q792 E793 V794Q792-N796 PolarHBondContact NE2-OD1 3.49Å; Q792-N796 VanDerWaalsContact NE2-OD1 3.14Å; Q792-N796 PolarHBondContact O-N 2.68Å; Q792-N796 VanDerWaalsContact O-N 3.1Å; Q792-N796 PolarHBondContact O-OD1 3.07Å; E793-N796 CarbonylContact O-C 3.54Å; E793-N796 PolarHBondContact O-N 2.71Å; V794-N796 VanDerWaalsContact C-N 3.31Å
797C87.6Confident86.2Confident26 Ų2667 Ų6718%0.17636%0.358CS..PPolyproline II helixtrans-55.5138.9175.7-73.70000111.9E793 D801 V802 K834E793-C797 PolarHBondContact O-N 2.75Å; E793-C797 PolarHBondContact O-SG 2.72Å; C797-D801 HydrophobicContact CB-CB 4.25Å; C797-V802 HydrophobicContact CB-CB 4.46Å; C797-V802 HydrophobicContact CB-CG2 3.29Å; C797-K834 PolarHBondContact O-NZ 3.07Å
798E80.7Confident86.4Confident151 Ų15168.1 Ų68.171%0.70636%0.362SS*.PPolyproline II helixtrans-74.5165.9173.5-59.6-169.417500110.7G800 D801E798-G800 PolarHBondContact O-N 3.14Å; E798-D801 PolarHBondContact O-N 3.36Å; E798-D801 VanDerWaalsContact O-N 3.15Å
799A71.7Confident86.5Confident85 Ų8568.3 Ų68.370%0.70236%0.363SS*.THydrogen-bonded Turntrans-64.4118-175.500000111
800G67.4Low86.5Confident39 Ų3964.9 Ų64.940%0.40235%0.352SS..THydrogen-bonded Turntrans106.7-25.2-177.400000114.2E798 E803E798-G800 PolarHBondContact O-N 3.14Å; G800-E803 WeakPolarHBondContact CA-OE2 3.31Å; G800-E803 PolarHBondContact N-OE2 3.34Å
801D78.8Confident86.6Confident74 Ų7462.5 Ų62.540%0.39633%0.334SS..Hα-helixtrans-77.8-26.8-178-63.8-16000112.3C797 E798 E803 E804C797-D801 HydrophobicContact CB-CB 4.25Å; E798-D801 PolarHBondContact O-N 3.36Å; E798-D801 VanDerWaalsContact O-N 3.15Å; D801-E803 VanDerWaalsContact C-N 3.3Å; D801-E803 PolarHBondContact O-N 3.26Å; D801-E804 PolarHBondContact O-N 2.88Å
802V82.8Confident86.5Confident0 Ų067.9 Ų67.90%036%0.359CS..Hα-helixtrans-65.2-38.4-179.8178.50000110.7C797 E804 L805 V829 K834C797-V802 HydrophobicContact CB-CB 4.46Å; C797-V802 HydrophobicContact CB-CG2 3.29Å; V802-E804 VanDerWaalsContact C-N 3.25Å; V802-E804 PolarHBondContact O-N 3.17Å; V802-L805 WeakPolarHBondContact O-CB 3.44Å; V802-L805 PolarHBondContact O-N 3.45Å; V802-V829 HydrophobicContact CG1-CB 4.47Å; V802-V829 HydrophobicContact CG1-CG1 4.03Å; V802-K834 HydrophobicContact CG2-CD 4Å
803E80.6Confident86.3Confident79 Ų7966.1 Ų66.137%0.36935%0.351SS..Hα-helixtrans-67.9-26.1-178.9-67.177.1-172.500112.2G800 D801 L805 H806 N830 E831G800-E803 WeakPolarHBondContact CA-OE2 3.31Å; G800-E803 PolarHBondContact N-OE2 3.34Å; D801-E803 VanDerWaalsContact C-N 3.3Å; D801-E803 PolarHBondContact O-N 3.26Å; E803-L805 VanDerWaalsContact C-N 3.31Å; E803-H806 PolarHBondContact O-ND1 3.46Å; E803-N830 HydrophobicContact CG-CB 4.23Å; E803-N830 WeakPolarHBondContact OE1-CA 3.28Å; E803-N830 VanDerWaalsContact OE1-CB 3.25Å; E803-N830 WeakPolarHBondContact OE1-CB 3.39Å; E803-E831 PolarHBondContact OE1-N 3.25Å; E803-E831 VanDerWaalsContact OE1-N 3.11Å
804E83Confident86.2Confident145 Ų14563.4 Ų63.468%0.67834%0.339SS*.Hα-helixtrans-73.7-20.4174.9-59.7-167.9164.700113.1D801 V802 H806D801-E804 PolarHBondContact O-N 2.88Å; V802-E804 VanDerWaalsContact C-N 3.25Å; V802-E804 PolarHBondContact O-N 3.17Å; E804-H806 PolarHBondContact O-CD2 2.91Å; E804-H806 PolarHBondContact O-N 3.09Å
805L82.9Confident85.9Confident81 Ų8171.6 Ų71.642%0.42437%0.373SS..THydrogen-bonded Turntrans-70.5-15.1177.9-60.2177.4000112.8V794 V802 E803 I807V794-L805 HydrophobicContact CG2-CD1 4.05Å; V802-L805 WeakPolarHBondContact O-CB 3.44Å; V802-L805 PolarHBondContact O-N 3.45Å; E803-L805 VanDerWaalsContact C-N 3.31Å; L805-I807 HydrophobicContact CB-CG1 4.16Å; L805-I807 HydrophobicContact CB-CG2 4.2Å; L805-I807 HydrophobicContact CD1-CD1 4.37Å; L805-I807 PolarHBondContact O-N 2.81Å
806H84.9Confident85.6Confident155 Ų15573.6 Ų73.672%0.71838%0.38SS*.  trans49.929.5-178.8-62.7-48.5000114.5E803 E804 H808E803-H806 PolarHBondContact O-ND1 3.46Å; E804-H806 PolarHBondContact O-CD2 2.91Å; E804-H806 PolarHBondContact O-N 3.09Å; H806-H808 PolarHBondContact O-CE1 3.16Å; H806-H808 PolarHBondContact O-ND1 3.22Å; H806-H808 VanDerWaalsContact O-ND1 3.09Å
807I91.1Very high85.5Confident44 Ų4474.3 Ų74.323%0.22638%0.384CS..  trans-84.4147.6176.559.1171.6000110.8V794 L805 V829 Y837V794-I807 HydrophobicContact CG1-CD1 4.02Å; V794-I807 HydrophobicContact CG2-CD1 3.65Å; L805-I807 HydrophobicContact CB-CG1 4.16Å; L805-I807 HydrophobicContact CB-CG2 4.2Å; L805-I807 HydrophobicContact CD1-CD1 4.37Å; L805-I807 PolarHBondContact O-N 2.81Å; I807-V829 HydrophobicContact CD1-CB 4.02Å; I807-V829 HydrophobicContact CD1-CG1 4.29Å; I807-V829 HydrophobicContact CD1-CG2 4.02Å; I807-V829 HydrophobicContact CG1-CB 3.8Å; I807-V829 HydrophobicContact CG1-CG2 3.82Å; I807-V829 PolarHBondContact O-N 2.67Å; I807-Y837 HydrophobicContact CD1-CD1 4.46Å; I807-Y837 HydrophobicContact CD1-CE1 3.98Å
808H93.6Very high85.7Confident65 Ų6574.7 Ų74.730%0.30139%0.385SS..BIsolated β-bridgetrans-121.8171.9-178.2-64.974.1000109.6H806 S810 I825 V827 Y837H806-H808 PolarHBondContact O-CE1 3.16Å; H806-H808 PolarHBondContact O-ND1 3.22Å; H806-H808 VanDerWaalsContact O-ND1 3.09Å; H808-S810 PolarHBondContact O-N 3.42Å; H808-I825 PolarHBondContact CD2-O 3.44Å; H808-V827 CarbonylContact C-O 3.6Å; H808-V827 VanDerWaalsContact CA-O 3.26Å; H808-V827 WeakPolarHBondContact CA-O 3.27Å; H808-Y837 WeakPolarHBondContact O-CE2 3.36Å
809F94.9Very high86.3Confident4 Ų471 Ų712%0.01837%0.37CS..SBendtrans-72.353.9175.7-85-110.6000112.7L820 I821 G824 V827 V829 N833 Y837F809-L820 PolarHBondContact O-N 3.04Å; F809-I821 HydrophobicContact CB-CD1 3.71Å; F809-I821 HydrophobicContact CB-CG1 3.73Å; F809-I821 HydrophobicContact CD1-CD1 3.72Å; F809-I821 HydrophobicContact CD1-CG1 4.17Å; F809-I821 HydrophobicContact CD1-CG2 4Å; F809-I821 HydrophobicContact CD2-CD1 4.39Å; F809-I821 HydrophobicContact CE1-CD1 4.43Å; F809-I821 HydrophobicContact CG-CD1 3.69Å; F809-I821 HydrophobicContact CG-CG1 4.18Å; F809-G824 PolarHBondContact N-O 2.92Å; F809-G824 VanDerWaalsContact N-O 3.1Å; F809-G824 WeakPolarHBondContact O-CA 3.47Å; F809-V827 HydrophobicContact CB-CB 4.44Å; F809-V827 HydrophobicContact CD2-CB 4.24Å; F809-V827 HydrophobicContact CD2-CG1 3.82Å; F809-V827 HydrophobicContact CE2-CG1 4.22Å; F809-V827 HydrophobicContact CG-CG1 4.46Å; F809-V827 PolarHBondContact N-O 2.97Å; F809-V829 HydrophobicContact CD2-CG2 4Å; F809-V829 HydrophobicContact CE2-CG2 4.04Å; F809-N833 HydrophobicContact CE2-CB 4.25Å; F809-N833 HydrophobicContact CZ-CB 3.98Å; F809-Y837 HydrophobicContact CD1-CD2 4.25Å; F809-Y837 HydrophobicContact CD2-CD2 4.35Å; F809-Y837 HydrophobicContact CG-CD2 4.16Å
810S93.5Very high87.3Confident32 Ų3268.1 Ų68.122%0.22434%0.343CS..EExtended strand (participates in β ladder)trans-142.3146.7177.558.20000110H808 V818H808-S810 PolarHBondContact O-N 3.42Å; S810-V818 CarbonylContact C-O 3.45Å; S810-V818 WeakPolarHBondContact CA-O 3.28Å
811I93.6Very high88.5Confident13 Ų1368.3 Ų68.37%0.06733%0.334CS..EExtended strand (participates in β ladder)trans-131.9151.5176.666.7170.3000111.7W813 D817 V818 L820 Y837 C841 Y844 I845I811-W813 HydrophobicContact CD1-CB 4Å; I811-W813 HydrophobicContact CG1-CB 4.33Å; I811-D817 WeakPolarHBondContact O-CA 3.43Å; I811-V818 PolarHBondContact N-O 3.31Å; I811-V818 PolarHBondContact O-N 3.44Å; I811-L820 HydrophobicContact CD1-CD2 4.07Å; I811-L820 HydrophobicContact CG1-CD2 3.99Å; I811-L820 HydrophobicContact CG2-CD1 3.94Å; I811-L820 HydrophobicContact CG2-CD2 4.23Å; I811-L820 HydrophobicContact CG2-CG 4.25Å; I811-Y837 HydrophobicContact CG2-CE2 4.38Å; I811-C841 HydrophobicContact CG2-CB 4.44Å; I811-C841 WeakPolarHBondContact CG2-SG 3.49Å; I811-Y844 HydrophobicContact CD1-CD1 3.61Å; I811-Y844 HydrophobicContact CD1-CE1 4.15Å; I811-Y844 HydrophobicContact CD1-CG 4.46Å; I811-Y844 HydrophobicContact CG1-CD1 4.32Å; I811-I845 HydrophobicContact CD1-CD1 4.2Å; I811-I845 HydrophobicContact CD1-CG1 4.01Å
812H90.4Very high89Confident118 Ų11870.6 Ų70.655%0.54635%0.354SS..EExtended strand (participates in β ladder)trans-90.1111.9165.6-168.279.2000109.5K816 D817H812-K816 WeakPolarHBondContact CA-O 3.18Å; H812-D817 WeakPolarHBondContact CB-OD1 3Å; H812-D817 IonicContact CE1-OD1 2.72Å; H812-D817 IonicContact CG-OD1 2.75Å; H812-D817 IonicContact ND1-OD1 3.21Å; H812-D817 PolarHBondContact ND1-OD1 2.91Å; H812-D817 IonicContact ND1-OD2 3.72Å
813W91.8Very high89.2Confident10 Ų1076.4 Ų76.44%0.03839%0.385CS..EExtended strand (participates in β ladder)trans-141.8135.5178.9-176.1-104.3000111.3M720 P722 L783 L787 I811 K815 K816 Y844 I845M720-W813 HydrophobicContact CE-CH2 4.25Å; M720-W813 HydrophobicContact CE-CZ2 3.81Å; M720-W813 HydrophobicContact SD-CZ2 4.14Å; P722-W813 HydrophobicContact CB-CH2 4.46Å; P722-W813 HydrophobicContact CG-CH2 3.81Å; P722-W813 HydrophobicContact CG-CZ3 4.47Å; L783-W813 HydrophobicContact CD2-CH2 3.82Å; L783-W813 HydrophobicContact CD2-CZ2 4.05Å; L783-W813 HydrophobicContact CG-CH2 4.25Å; L787-W813 HydrophobicContact CD2-CE3 3.68Å; L787-W813 HydrophobicContact CD2-CZ3 3.67Å; I811-W813 HydrophobicContact CD1-CB 4Å; I811-W813 HydrophobicContact CG1-CB 4.33Å; W813-K815 VanDerWaalsContact C-N 3.29Å; W813-K815 PolarHBondContact O-N 3.39Å; W813-K816 PolarHBondContact N-O 3.3Å; W813-K816 PolarHBondContact O-N 3.45Å; W813-K816 VanDerWaalsContact O-N 3.1Å; W813-K816 VanDerWaalsContact O-O 3.12Å; W813-Y844 HydrophobicContact CB-CE1 4.33Å; W813-I845 HydrophobicContact CD2-CD1 4.05Å; W813-I845 HydrophobicContact CD2-CG1 3.76Å; W813-I845 HydrophobicContact CD2-CG2 4.31Å; W813-I845 HydrophobicContact CE3-CD1 3.8Å; W813-I845 HydrophobicContact CE3-CG1 4.06Å; W813-I845 HydrophobicContact CG-CG1 4.03Å; W813-I845 HydrophobicContact CH2-CG2 3.85Å; W813-I845 HydrophobicContact CZ2-CG1 4.48Å; W813-I845 HydrophobicContact CZ2-CG2 3.47Å; W813-I845 VanDerWaalsContact CZ2-CG2 3.47Å; W813-I845 HydrophobicContact CZ3-CD1 4.07Å; W813-I845 HydrophobicContact CZ3-CG2 4.42Å
814D87.9Confident89.6Confident35 Ų3572.7 Ų72.719%0.18737%0.367CS..THydrogen-bonded Turntrans47.949.3-177.2-166.327.7000113.2M720 V732 K816M720-D814 HydrophobicContact CE-CB 4.21Å; M720-D814 HydrophobicContact SD-CB 3.8Å; V732-D814 HydrophobicContact CB-CB 4.06Å; V732-D814 VanDerWaalsContact CB-OD2 3.3Å; V732-D814 WeakPolarHBondContact CB-OD2 3.37Å; V732-D814 HydrophobicContact CG2-CB 3.48Å; V732-D814 VanDerWaalsContact CG2-CB 3.48Å; V732-D814 PolarHBondContact N-OD2 2.87Å; D814-K816 PolarHBondContact O-N 3.46Å
815K85.1Confident89.9Confident184 Ų18471 Ų7180%0.836%0.361SS*.THydrogen-bonded Turntrans63.521.8179-50.5173.3-176.9173.10114.6W813W813-K815 VanDerWaalsContact C-N 3.29Å; W813-K815 PolarHBondContact O-N 3.39Å
816K85.5Confident90.2Very high94 Ų9471.3 Ų71.341%0.40937%0.371SS..EExtended strand (participates in β ladder)trans-133.8140.4177.6-68.9-173172.8-175.20111.6N733 H812 W813 D814 V818N733-K816 WeakPolarHBondContact ND2-CE 3.29Å; N733-K816 PolarHBondContact ND2-NZ 2.94Å; N733-K816 PolarHBondContact OD1-NZ 3.45Å; H812-K816 WeakPolarHBondContact CA-O 3.18Å; W813-K816 PolarHBondContact N-O 3.3Å; W813-K816 PolarHBondContact O-N 3.45Å; W813-K816 VanDerWaalsContact O-N 3.1Å; W813-K816 VanDerWaalsContact O-O 3.12Å; D814-K816 PolarHBondContact O-N 3.46Å; K816-V818 HydrophobicContact CB-CG2 4.24Å
817D88.6Confident90.6Very high126 Ų12666.2 Ų66.267%0.67435%0.35SS*.EExtended strand (participates in β ladder)trans-87.3125.3168.1-60.1-51.4000109.7I811 H812I811-D817 WeakPolarHBondContact O-CA 3.43Å; H812-D817 WeakPolarHBondContact CB-OD1 3Å; H812-D817 IonicContact CE1-OD1 2.72Å; H812-D817 IonicContact CG-OD1 2.75Å; H812-D817 IonicContact ND1-OD1 3.21Å; H812-D817 PolarHBondContact ND1-OD1 2.91Å; H812-D817 IonicContact ND1-OD2 3.72Å
818V91.8Very high90.6Very high35 Ų3567.5 Ų67.521%0.21236%0.362CS..EExtended strand (participates in β ladder)trans-132.4131.4-175.5-177.50000110.8S810 I811 K816 Y844S810-V818 CarbonylContact C-O 3.45Å; S810-V818 WeakPolarHBondContact CA-O 3.28Å; I811-V818 PolarHBondContact N-O 3.31Å; I811-V818 PolarHBondContact O-N 3.44Å; K816-V818 HydrophobicContact CB-CG2 4.24Å; V818-Y844 HydrophobicContact CB-CE1 4.43Å; V818-Y844 HydrophobicContact CB-CE2 4.39Å; V818-Y844 HydrophobicContact CG1-CD2 4.47Å; V818-Y844 HydrophobicContact CG1-CE2 3.66Å; V818-Y844 WeakPolarHBondContact CG2-OH 3.26Å
819N93.2Very high90.6Very high73 Ų7364.6 Ų64.639%0.3935%0.349SS..EExtended strand (participates in β ladder)trans-73123.8171.2-69-38.9000110I821 I825N819-I821 VanDerWaalsContact C-N 3.3Å; N819-I821 WeakPolarHBondContact CB-O 3.5Å; N819-I825 WeakPolarHBondContact OD1-CB 3.43Å; N819-I825 PolarHBondContact OD1-N 3.42Å
820L92.9Very high90.3Very high24 Ų2466.6 Ų66.613%0.12636%0.359CS..SBendtrans-73.8-24.6178.9-62.5175.6000112.8F809 I811 Y837 K840 C841 Y844F809-L820 PolarHBondContact O-N 3.04Å; I811-L820 HydrophobicContact CD1-CD2 4.07Å; I811-L820 HydrophobicContact CG1-CD2 3.99Å; I811-L820 HydrophobicContact CG2-CD1 3.94Å; I811-L820 HydrophobicContact CG2-CD2 4.23Å; I811-L820 HydrophobicContact CG2-CG 4.25Å; L820-Y837 HydrophobicContact CD1-CD2 3.76Å; L820-Y837 HydrophobicContact CD1-CE2 3.67Å; L820-K840 HydrophobicContact CB-CB 4.19Å; L820-K840 HydrophobicContact CD1-CB 4.02Å; L820-C841 VanDerWaalsContact CD1-SG 3.5Å; L820-Y844 HydrophobicContact CD2-CD1 4.49Å; L820-Y844 HydrophobicContact CD2-CG 4.02Å
821I90.9Very high90.1Very high43 Ų4368.7 Ų68.722%0.22137%0.365CS..SBendtrans-133.2162.6175.765.6-179.3000109.2F809 N819 N823 G824 V827F809-I821 HydrophobicContact CB-CD1 3.71Å; F809-I821 HydrophobicContact CB-CG1 3.73Å; F809-I821 HydrophobicContact CD1-CD1 3.72Å; F809-I821 HydrophobicContact CD1-CG1 4.17Å; F809-I821 HydrophobicContact CD1-CG2 4Å; F809-I821 HydrophobicContact CD2-CD1 4.39Å; F809-I821 HydrophobicContact CE1-CD1 4.43Å; F809-I821 HydrophobicContact CG-CD1 3.69Å; F809-I821 HydrophobicContact CG-CG1 4.18Å; N819-I821 VanDerWaalsContact C-N 3.3Å; N819-I821 WeakPolarHBondContact CB-O 3.5Å; I821-N823 PolarHBondContact O-N 3.14Å; I821-G824 PolarHBondContact O-N 3.39Å; I821-V827 HydrophobicContact CD1-CB 4Å; I821-V827 HydrophobicContact CD1-CG1 4.05Å; I821-V827 HydrophobicContact CD1-CG2 3.9Å
822P90Very high89.9Confident123 Ų12374.3 Ų74.380%0.79940%0.401SS*.THydrogen-bonded Turntrans-53.2126.3173.2-25.535.4000111.1G824P822-G824 PolarHBondContact O-N 2.79Å
823N87.6Confident90Very high122 Ų12270 Ų7065%0.65238%0.382SS*.THydrogen-bonded Turntrans5533.3-174.5-58.2-23.5000114.5I821 I825 S826I821-N823 PolarHBondContact O-N 3.14Å; N823-I825 PolarHBondContact O-N 3.06Å; N823-I825 VanDerWaalsContact O-N 3.16Å; N823-S826 WeakPolarHBondContact O-CB 3.43Å; N823-S826 PolarHBondContact O-N 3.48Å
824G88.2Confident90.1Very high0 Ų070.3 Ų70.30%038%0.383CS..G310 helixtrans-54.9-32.9-177.300000115.2F809 I821 P822 S826 V827F809-G824 PolarHBondContact N-O 2.92Å; F809-G824 VanDerWaalsContact N-O 3.1Å; F809-G824 WeakPolarHBondContact O-CA 3.47Å; I821-G824 PolarHBondContact O-N 3.39Å; P822-G824 PolarHBondContact O-N 2.79Å; G824-S826 PolarHBondContact O-N 3.49Å; G824-S826 VanDerWaalsContact O-N 3.09Å; G824-V827 PolarHBondContact O-N 3.05Å
825I89.7Confident90.3Very high109 Ų10976 Ų7656%0.55941%0.408SS*.G310 helixtrans-59.9-17.6173.5-156.7166000113.9H808 N819 N823H808-I825 PolarHBondContact CD2-O 3.44Å; N819-I825 WeakPolarHBondContact OD1-CB 3.43Å; N819-I825 PolarHBondContact OD1-N 3.42Å; N823-I825 PolarHBondContact O-N 3.06Å; N823-I825 VanDerWaalsContact O-N 3.16Å
826S89.3Confident90.8Very high89 Ų8970.9 Ų70.962%0.62239%0.39SS*.G310 helixtrans-101.50.5177.1-53.20000112.9N823 G824N823-S826 WeakPolarHBondContact O-CB 3.43Å; N823-S826 PolarHBondContact O-N 3.48Å; G824-S826 PolarHBondContact O-N 3.49Å; G824-S826 VanDerWaalsContact O-N 3.09Å
827V92.8Very high91.3Very high48 Ų4867.3 Ų67.329%0.29137%0.374SS..SBendtrans-110.6105.9-179.9-176.10000108.7H808 F809 I821 G824H808-V827 CarbonylContact C-O 3.6Å; H808-V827 VanDerWaalsContact CA-O 3.26Å; H808-V827 WeakPolarHBondContact CA-O 3.27Å; F809-V827 HydrophobicContact CB-CB 4.44Å; F809-V827 HydrophobicContact CD2-CB 4.24Å; F809-V827 HydrophobicContact CD2-CG1 3.82Å; F809-V827 HydrophobicContact CE2-CG1 4.22Å; F809-V827 HydrophobicContact CG-CG1 4.46Å; F809-V827 PolarHBondContact N-O 2.97Å; I821-V827 HydrophobicContact CD1-CB 4Å; I821-V827 HydrophobicContact CD1-CG1 4.05Å; I821-V827 HydrophobicContact CD1-CG2 3.9Å; G824-V827 PolarHBondContact O-N 3.05Å
828P91.8Very high91.6Very high71 Ų7161.6 Ų61.646%0.46134%0.344SS..BIsolated β-bridgetrans-72.1148.317829.5-34.1000111.4N833P828-N833 PolarHBondContact O-ND2 3.18Å; P828-N833 VanDerWaalsContact O-ND2 3.14Å
829V92.4Very high91.8Very high4 Ų463.4 Ų63.42%0.02436%0.358CS..  trans-81.1136.5170.6-170.90000108.9V802 I807 F809 N833 K834 Y837V802-V829 HydrophobicContact CG1-CB 4.47Å; V802-V829 HydrophobicContact CG1-CG1 4.03Å; I807-V829 HydrophobicContact CD1-CB 4.02Å; I807-V829 HydrophobicContact CD1-CG1 4.29Å; I807-V829 HydrophobicContact CD1-CG2 4.02Å; I807-V829 HydrophobicContact CG1-CB 3.8Å; I807-V829 HydrophobicContact CG1-CG2 3.82Å; I807-V829 PolarHBondContact O-N 2.67Å; F809-V829 HydrophobicContact CD2-CG2 4Å; F809-V829 HydrophobicContact CE2-CG2 4.04Å; V829-N833 VanDerWaalsContact CA-OD1 3.29Å; V829-N833 WeakPolarHBondContact CA-OD1 3.25Å; V829-N833 WeakPolarHBondContact CG1-OD1 3.25Å; V829-K834 HydrophobicContact CG1-CB 3.98Å; V829-Y837 HydrophobicContact CG1-CD1 4.22Å; V829-Y837 HydrophobicContact CG1-CG 4.16Å; V829-Y837 HydrophobicContact CG2-CD1 3.99Å; V829-Y837 HydrophobicContact CG2-CD2 3.65Å; V829-Y837 HydrophobicContact CG2-CE1 4.37Å; V829-Y837 HydrophobicContact CG2-CE2 4.07Å; V829-Y837 HydrophobicContact CG2-CG 3.6Å
830N90.4Very high91.9Very high45 Ų4563.7 Ų63.724%0.24136%0.356CS..  trans-143.2177.8-179.26541.4000110.2E803 T832 N833 K834E803-N830 HydrophobicContact CG-CB 4.23Å; E803-N830 WeakPolarHBondContact OE1-CA 3.28Å; E803-N830 VanDerWaalsContact OE1-CB 3.25Å; E803-N830 WeakPolarHBondContact OE1-CB 3.39Å; N830-T832 PolarHBondContact O-N 3.38Å; N830-T832 VanDerWaalsContact O-N 3.13Å; N830-T832 PolarHBondContact OD1-N 2.98Å; N830-T832 PolarHBondContact OD1-OG1 2.87Å; N830-N833 PolarHBondContact N-OD1 3.22Å; N830-N833 PolarHBondContact ND2-ND2 3.4Å; N830-N833 PolarHBondContact O-N 2.84Å; N830-N833 VanDerWaalsContact O-N 3.13Å; N830-N833 PolarHBondContact O-OD1 2.81Å; N830-N833 VanDerWaalsContact O-OD1 3.11Å; N830-N833 PolarHBondContact OD1-N 3.12Å; N830-N833 PolarHBondContact OD1-OD1 2.9Å; N830-K834 WeakPolarHBondContact O-CB 3.21Å; N830-K834 PolarHBondContact O-N 3.48Å
831E88.7Confident91.9Very high76 Ų7662.6 Ų62.636%0.35535%0.35SS..THydrogen-bonded Turntrans-55.2-35.1-177.1-170.756.9-154.300114E803 K834E803-E831 PolarHBondContact OE1-N 3.25Å; E803-E831 VanDerWaalsContact OE1-N 3.11Å; E831-K834 WeakPolarHBondContact OE1-CE 3.11Å; E831-K834 IonicContact OE1-NZ 2.68Å; E831-K834 PolarHBondContact OE1-NZ 3.3Å; E831-K834 WeakPolarHBondContact OE2-CE 3.3Å; E831-K834 IonicContact OE2-NZ 3.22Å; E831-K834 PolarHBondContact OE2-NZ 3.49Å
832T89.9Confident92.2Very high131 Ų13161.1 Ų61.180%0.80434%0.343SS*.THydrogen-bonded Turntrans-77.9-21.6-176.368.40000113.8N830N830-T832 PolarHBondContact O-N 3.38Å; N830-T832 VanDerWaalsContact O-N 3.13Å; N830-T832 PolarHBondContact OD1-N 2.98Å; N830-T832 PolarHBondContact OD1-OG1 2.87Å
833N92.4Very high92.5Very high28 Ų2858.4 Ų58.415%0.1532%0.322CS..THydrogen-bonded Turntrans-122.6-3.1-171.572.120000114.2F809 P828 V829 N830 Q835 D836 Y837F809-N833 HydrophobicContact CE2-CB 4.25Å; F809-N833 HydrophobicContact CZ-CB 3.98Å; P828-N833 PolarHBondContact O-ND2 3.18Å; P828-N833 VanDerWaalsContact O-ND2 3.14Å; V829-N833 VanDerWaalsContact CA-OD1 3.29Å; V829-N833 WeakPolarHBondContact CA-OD1 3.25Å; V829-N833 WeakPolarHBondContact CG1-OD1 3.25Å; N830-N833 PolarHBondContact N-OD1 3.22Å; N830-N833 PolarHBondContact ND2-ND2 3.4Å; N830-N833 PolarHBondContact O-N 2.84Å; N830-N833 VanDerWaalsContact O-N 3.13Å; N830-N833 PolarHBondContact O-OD1 2.81Å; N830-N833 VanDerWaalsContact O-OD1 3.11Å; N830-N833 PolarHBondContact OD1-N 3.12Å; N830-N833 PolarHBondContact OD1-OD1 2.9Å; N833-Q835 VanDerWaalsContact C-N 3.28Å; N833-Q835 PolarHBondContact O-N 3.23Å; N833-D836 PolarHBondContact O-N 3.21Å; N833-Y837 PolarHBondContact O-N 3.49Å
834K92.3Very high92.8Very high17 Ų1753.9 Ų53.97%0.07430%0.296CS..Hα-helixtrans-55.2-36.8-179.570.3-174.9-175.7-174.50114.4V794 C797 V802 V829 N830 E831 V838V794-K834 HydrophobicContact CG1-CB 4.24Å; C797-K834 PolarHBondContact O-NZ 3.07Å; V802-K834 HydrophobicContact CG2-CD 4Å; V829-K834 HydrophobicContact CG1-CB 3.98Å; N830-K834 WeakPolarHBondContact O-CB 3.21Å; N830-K834 PolarHBondContact O-N 3.48Å; E831-K834 WeakPolarHBondContact OE1-CE 3.11Å; E831-K834 IonicContact OE1-NZ 2.68Å; E831-K834 PolarHBondContact OE1-NZ 3.3Å; E831-K834 WeakPolarHBondContact OE2-CE 3.3Å; E831-K834 IonicContact OE2-NZ 3.22Å; E831-K834 PolarHBondContact OE2-NZ 3.49Å; K834-V838 WeakPolarHBondContact O-CG2 3.49Å; K834-V838 PolarHBondContact O-N 3.03Å; K834-V838 VanDerWaalsContact O-N 3.13Å
835Q93.8Very high93.2Very high153 Ų15353.9 Ų53.972%0.71530%0.296SS*.Hα-helixtrans-67.1-40.9175.9-68.1-172-1.200112.4L795 N833 S839L795-Q835 HydrophobicContact CD2-CG 4.21Å; N833-Q835 VanDerWaalsContact C-N 3.28Å; N833-Q835 PolarHBondContact O-N 3.23Å; Q835-S839 WeakPolarHBondContact O-CB 3.16Å; Q835-S839 PolarHBondContact O-N 2.71Å
836D94.9Very high93.5Very high78 Ų7848.7 Ų48.742%0.41727%0.269SS..Hα-helixtrans-67.9-43.6177-174.147.7000110.5N833 V838 S839 K840N833-D836 PolarHBondContact O-N 3.21Å; D836-V838 PolarHBondContact O-N 3.2Å; D836-S839 WeakPolarHBondContact O-CB 3.49Å; D836-S839 PolarHBondContact O-N 3.38Å; D836-K840 WeakPolarHBondContact O-CB 3.4Å; D836-K840 WeakPolarHBondContact O-CG 3.38Å; D836-K840 PolarHBondContact O-N 3.27Å; D836-K840 WeakPolarHBondContact OD1-CE 3.46Å
837Y94.9Very high93.7Very high18 Ų1846.7 Ų46.77%0.07125%0.252CS..Hα-helixtrans-52-54.2174.4172.1-108.1000111.8L791 V794 I807 H808 F809 I811 L820 V829 N833 S839 K840 C841L791-Y837 HydrophobicContact CD2-CD1 4.45Å; L791-Y837 HydrophobicContact CD2-CE1 3.69Å; V794-Y837 HydrophobicContact CG1-CD1 4.36Å; I807-Y837 HydrophobicContact CD1-CD1 4.46Å; I807-Y837 HydrophobicContact CD1-CE1 3.98Å; H808-Y837 WeakPolarHBondContact O-CE2 3.36Å; F809-Y837 HydrophobicContact CD1-CD2 4.25Å; F809-Y837 HydrophobicContact CD2-CD2 4.35Å; F809-Y837 HydrophobicContact CG-CD2 4.16Å; I811-Y837 HydrophobicContact CG2-CE2 4.38Å; L820-Y837 HydrophobicContact CD1-CD2 3.76Å; L820-Y837 HydrophobicContact CD1-CE2 3.67Å; V829-Y837 HydrophobicContact CG1-CD1 4.22Å; V829-Y837 HydrophobicContact CG1-CG 4.16Å; V829-Y837 HydrophobicContact CG2-CD1 3.99Å; V829-Y837 HydrophobicContact CG2-CD2 3.65Å; V829-Y837 HydrophobicContact CG2-CE1 4.37Å; V829-Y837 HydrophobicContact CG2-CE2 4.07Å; V829-Y837 HydrophobicContact CG2-CG 3.6Å; N833-Y837 PolarHBondContact O-N 3.49Å; Y837-S839 VanDerWaalsContact C-N 3.34Å; Y837-S839 PolarHBondContact O-N 2.74Å; Y837-K840 PolarHBondContact O-N 2.72Å; Y837-C841 VanDerWaalsContact CZ-SG 3.59Å; Y837-C841 PolarHBondContact O-N 2.88Å; Y837-C841 PolarHBondContact O-SG 3.45Å
838V95.6Very high93.8Very high7 Ų748.2 Ų48.24%0.04226%0.261CS..Hα-helixtrans-63.2-40.3179.8174.70000111.7L777 L791 V794 L795 K834 D836 K840 C841 V842L777-V838 HydrophobicContact CD1-CG1 4.25Å; L777-V838 HydrophobicContact CD2-CG1 4.24Å; L791-V838 HydrophobicContact CB-CG1 4.27Å; L791-V838 HydrophobicContact CB-CG2 4.3Å; L791-V838 HydrophobicContact CD2-CG2 4.31Å; V794-V838 HydrophobicContact CG1-CG2 4.33Å; L795-V838 HydrophobicContact CD1-CG1 4.11Å; L795-V838 HydrophobicContact CD2-CB 4.12Å; L795-V838 HydrophobicContact CD2-CG2 3.86Å; L795-V838 HydrophobicContact CG-CB 4.39Å; L795-V838 HydrophobicContact CG-CG1 4.38Å; L795-V838 HydrophobicContact CG-CG2 3.95Å; K834-V838 WeakPolarHBondContact O-CG2 3.49Å; K834-V838 PolarHBondContact O-N 3.03Å; K834-V838 VanDerWaalsContact O-N 3.13Å; D836-V838 PolarHBondContact O-N 3.2Å; V838-K840 VanDerWaalsContact C-N 3.34Å; V838-K840 PolarHBondContact O-N 3Å; V838-C841 WeakPolarHBondContact O-CB 3.38Å; V838-C841 PolarHBondContact O-N 2.96Å; V838-V842 VanDerWaalsContact O-CG2 3.31Å; V838-V842 WeakPolarHBondContact O-CG2 3.26Å; V838-V842 PolarHBondContact O-N 3.49Å; V838-V842 VanDerWaalsContact O-N 3.09Å
839S95.4Very high93.8Very high73 Ų7345.6 Ų45.651%0.5125%0.245SC..Hα-helixtrans-61-42175.3-169.30000112.1Q835 D836 Y837 V842 D843Q835-S839 WeakPolarHBondContact O-CB 3.16Å; Q835-S839 PolarHBondContact O-N 2.71Å; D836-S839 WeakPolarHBondContact O-CB 3.49Å; D836-S839 PolarHBondContact O-N 3.38Å; Y837-S839 VanDerWaalsContact C-N 3.34Å; Y837-S839 PolarHBondContact O-N 2.74Å; S839-V842 PolarHBondContact O-N 3.17Å; S839-D843 WeakPolarHBondContact O-CB 3.41Å; S839-D843 PolarHBondContact O-N 3.5Å
840K95.2Very high93.9Very high79 Ų7945.5 Ų45.534%0.34324%0.244SC..Hα-helixtrans-67.7-38.2177.1-67.8-73.4179.7-179.80112.4L820 D836 Y837 V838 D843 Y844L820-K840 HydrophobicContact CB-CB 4.19Å; L820-K840 HydrophobicContact CD1-CB 4.02Å; D836-K840 WeakPolarHBondContact O-CB 3.4Å; D836-K840 WeakPolarHBondContact O-CG 3.38Å; D836-K840 PolarHBondContact O-N 3.27Å; D836-K840 WeakPolarHBondContact OD1-CE 3.46Å; Y837-K840 PolarHBondContact O-N 2.72Å; V838-K840 VanDerWaalsContact C-N 3.34Å; V838-K840 PolarHBondContact O-N 3Å; K840-D843 PolarHBondContact O-N 3.19Å; K840-Y844 WeakPolarHBondContact O-CB 3.48Å; K840-Y844 PolarHBondContact O-N 3.17Å
841C94.8Very high94.1Very high0 Ų050.7 Ų50.70%027%0.265CS..Hα-helixtrans-57.8-52.5172.8-65.50000110.9L791 I811 L820 Y837 V838 D843 Y844 I845L791-C841 HydrophobicContact CD1-CB 3.74Å; L791-C841 HydrophobicContact CD2-CB 4.4Å; I811-C841 HydrophobicContact CG2-CB 4.44Å; I811-C841 WeakPolarHBondContact CG2-SG 3.49Å; L820-C841 VanDerWaalsContact CD1-SG 3.5Å; Y837-C841 VanDerWaalsContact CZ-SG 3.59Å; Y837-C841 PolarHBondContact O-N 2.88Å; Y837-C841 PolarHBondContact O-SG 3.45Å; V838-C841 WeakPolarHBondContact O-CB 3.38Å; V838-C841 PolarHBondContact O-N 2.96Å; C841-D843 PolarHBondContact O-N 2.9Å; C841-Y844 PolarHBondContact O-N 3.48Å; C841-I845 WeakPolarHBondContact O-CG1 3.39Å; C841-I845 PolarHBondContact O-N 3.37Å
842V96.1Very high94.4Very high13 Ų1351.2 Ų51.28%0.07927%0.273CS..Hα-helixtrans-61.4-46-179.7173.60000110.7L777 L780 V838 S839 F846L777-V842 HydrophobicContact CD1-CG2 4.36Å; L780-V842 HydrophobicContact CD2-CG2 4.18Å; V838-V842 VanDerWaalsContact O-CG2 3.31Å; V838-V842 WeakPolarHBondContact O-CG2 3.26Å; V838-V842 PolarHBondContact O-N 3.49Å; V838-V842 VanDerWaalsContact O-N 3.09Å; S839-V842 PolarHBondContact O-N 3.17Å; V842-F846 HydrophobicContact CG1-CD2 3.82Å; V842-F846 HydrophobicContact CG1-CE2 4.16Å; V842-F846 WeakPolarHBondContact O-CD2 3.37Å; V842-F846 PolarHBondContact O-N 3.03Å
843D95.7Very high94.7Very high65 Ų6545.3 Ų45.335%0.34824%0.236SC..Hα-helixtrans-65.1-39.7177.9-174.666.3000112.4S839 K840 C841 N847 T848S839-D843 WeakPolarHBondContact O-CB 3.41Å; S839-D843 PolarHBondContact O-N 3.5Å; K840-D843 PolarHBondContact O-N 3.19Å; C841-D843 PolarHBondContact O-N 2.9Å; D843-N847 VanDerWaalsContact O-CA 3.31Å; D843-N847 WeakPolarHBondContact O-CA 3.46Å; D843-N847 WeakPolarHBondContact O-CB 3.26Å; D843-N847 PolarHBondContact O-N 3.11Å; D843-N847 PolarHBondContact OD1-ND2 2.75Å; D843-T848 PolarHBondContact O-N 3.04Å
844Y95.5Very high94.9Very high27 Ų2745.1 Ų45.111%0.10623%0.234CC..Iπ-helixtrans-62.7-51177.5176.1-92.2000111.4I811 W813 V818 L820 K840 C841 T848 S849I811-Y844 HydrophobicContact CD1-CD1 3.61Å; I811-Y844 HydrophobicContact CD1-CE1 4.15Å; I811-Y844 HydrophobicContact CD1-CG 4.46Å; I811-Y844 HydrophobicContact CG1-CD1 4.32Å; W813-Y844 HydrophobicContact CB-CE1 4.33Å; V818-Y844 HydrophobicContact CB-CE1 4.43Å; V818-Y844 HydrophobicContact CB-CE2 4.39Å; V818-Y844 HydrophobicContact CG1-CD2 4.47Å; V818-Y844 HydrophobicContact CG1-CE2 3.66Å; V818-Y844 WeakPolarHBondContact CG2-OH 3.26Å; L820-Y844 HydrophobicContact CD2-CD1 4.49Å; L820-Y844 HydrophobicContact CD2-CG 4.02Å; K840-Y844 WeakPolarHBondContact O-CB 3.48Å; K840-Y844 PolarHBondContact O-N 3.17Å; C841-Y844 PolarHBondContact O-N 3.48Å; Y844-T848 HydrophobicContact CD2-CG2 3.98Å; Y844-T848 HydrophobicContact CE2-CG2 4.32Å; Y844-T848 PolarHBondContact O-N 3.23Å; Y844-S849 WeakPolarHBondContact O-CB 3.43Å; Y844-S849 PolarHBondContact O-N 2.81Å; Y844-S849 PolarHBondContact O-OG 2.76Å
845I94.9Very high95.1Very high1 Ų151 Ų511%0.00526%0.259CS..Iπ-helixtrans-62.1-48.7-177.4-69.1170.2000111.2W729 L780 L783 L787 I811 W813 C841 S849W729-I845 PolarHBondContact NE1-O 3.3Å; L780-I845 HydrophobicContact CD1-CD1 3.8Å; L780-I845 HydrophobicContact CD1-CG2 4.2Å; L780-I845 HydrophobicContact CD2-CD1 4.01Å; L783-I845 HydrophobicContact CD2-CG2 4.12Å; L787-I845 HydrophobicContact CD2-CD1 3.7Å; I811-I845 HydrophobicContact CD1-CD1 4.2Å; I811-I845 HydrophobicContact CD1-CG1 4.01Å; W813-I845 HydrophobicContact CD2-CD1 4.05Å; W813-I845 HydrophobicContact CD2-CG1 3.76Å; W813-I845 HydrophobicContact CD2-CG2 4.31Å; W813-I845 HydrophobicContact CE3-CD1 3.8Å; W813-I845 HydrophobicContact CE3-CG1 4.06Å; W813-I845 HydrophobicContact CG-CG1 4.03Å; W813-I845 HydrophobicContact CH2-CG2 3.85Å; W813-I845 HydrophobicContact CZ2-CG1 4.48Å; W813-I845 HydrophobicContact CZ2-CG2 3.47Å; W813-I845 VanDerWaalsContact CZ2-CG2 3.47Å; W813-I845 HydrophobicContact CZ3-CD1 4.07Å; W813-I845 HydrophobicContact CZ3-CG2 4.42Å; C841-I845 WeakPolarHBondContact O-CG1 3.39Å; C841-I845 PolarHBondContact O-N 3.37Å; I845-S849 PolarHBondContact O-OG 2.97Å
846F95.9Very high95.2Very high0 Ų045.1 Ų45.10%023%0.232CC..Iπ-helixtrans-87.5-24.8-173.8-68.5-59.6000114.3W729 P763 A765 K769 P775 D779 L780 L783 V842 V850W729-F846 HydrophobicContact CD2-CD1 4.46Å; W729-F846 AromaticContact CE2-CD1 3.84Å; W729-F846 AromaticContact CH2-CD1 3.73Å; W729-F846 HydrophobicContact CH2-CD1 3.73Å; W729-F846 HydrophobicContact CH2-CE1 4.29Å; W729-F846 HydrophobicContact CZ2-CB 4.37Å; W729-F846 AromaticContact CZ2-CD1 3.49Å; W729-F846 HydrophobicContact CZ2-CD1 3.49Å; W729-F846 VanDerWaalsContact CZ2-CD1 3.49Å; W729-F846 HydrophobicContact CZ2-CE1 4.3Å; W729-F846 HydrophobicContact CZ2-CG 4.41Å; W729-F846 HydrophobicContact CZ3-CD1 4.3Å; W729-F846 HydrophobicContact CZ3-CE1 4.43Å; P763-F846 HydrophobicContact CG-CE1 4.46Å; A765-F846 HydrophobicContact CB-CD1 3.68Å; A765-F846 HydrophobicContact CB-CE1 3.38Å; A765-F846 HydrophobicContact CB-CE2 4.4Å; A765-F846 HydrophobicContact CB-CG 4.32Å; A765-F846 HydrophobicContact CB-CZ 3.78Å; K769-F846 VanDerWaalsContact CE-O 3.24Å; K769-F846 WeakPolarHBondContact CE-O 3.47Å; K769-F846 PolarHBondContact NZ-O 3.46Å; P775-F846 HydrophobicContact CB-CB 4.06Å; P775-F846 HydrophobicContact CB-CD1 4.47Å; P775-F846 HydrophobicContact CB-CD2 3.42Å; P775-F846 VanDerWaalsContact CB-CD2 3.42Å; P775-F846 HydrophobicContact CB-CE2 3.88Å; P775-F846 HydrophobicContact CB-CG 3.75Å; P775-F846 HydrophobicContact CG-CB 3.84Å; P775-F846 HydrophobicContact CG-CD2 4.15Å; P775-F846 HydrophobicContact CG-CG 3.97Å; D779-F846 HydrophobicContact CB-CE2 4.2Å; D779-F846 HydrophobicContact CB-CZ 4.01Å; L780-F846 HydrophobicContact CB-CE2 3.93Å; L780-F846 HydrophobicContact CB-CZ 4.17Å; L780-F846 HydrophobicContact CD1-CE2 4.46Å; L780-F846 HydrophobicContact CD1-CZ 4.35Å; L783-F846 HydrophobicContact CB-CE1 4.49Å; L783-F846 HydrophobicContact CB-CZ 4.41Å; L783-F846 HydrophobicContact CD2-CE1 3.66Å; L783-F846 HydrophobicContact CD2-CZ 4.14Å; V842-F846 HydrophobicContact CG1-CD2 3.82Å; V842-F846 HydrophobicContact CG1-CE2 4.16Å; V842-F846 WeakPolarHBondContact O-CD2 3.37Å; V842-F846 PolarHBondContact O-N 3.03Å; F846-V850 WeakPolarHBondContact O-CG2 3.36Å
847N94.4Very high95.3Very high46 Ų4641.4 Ų41.425%0.24621%0.212CC..Iπ-helixtrans-120.8-60.6-172.7-56.7-47000113K769 D843 K851K769-N847 PolarHBondContact NZ-OD1 3.49Å; D843-N847 VanDerWaalsContact O-CA 3.31Å; D843-N847 WeakPolarHBondContact O-CA 3.46Å; D843-N847 WeakPolarHBondContact O-CB 3.26Å; D843-N847 PolarHBondContact O-N 3.11Å; D843-N847 PolarHBondContact OD1-ND2 2.75Å; N847-K851 WeakPolarHBondContact O-CA 3.23Å; N847-K851 WeakPolarHBondContact O-CB 3.22Å; N847-K851 PolarHBondContact O-N 2.92Å; N847-K851 VanDerWaalsContact O-N 3.15Å
848T94Very high95.4Very high80 Ų8043 Ų4349%0.49122%0.218SC..Iπ-helixtrans-68.4-47.9-169.4-60.90000112.2D843 Y844 V850 K851D843-T848 PolarHBondContact O-N 3.04Å; Y844-T848 HydrophobicContact CD2-CG2 3.98Å; Y844-T848 HydrophobicContact CE2-CG2 4.32Å; Y844-T848 PolarHBondContact O-N 3.23Å; T848-V850 VanDerWaalsContact C-N 3.26Å; T848-V850 PolarHBondContact O-N 2.86Å; T848-K851 PolarHBondContact O-N 3.43Å
849S93.6Very high95.3Very high17 Ų1748.3 Ų48.312%0.11924%0.237CC..THydrogen-bonded Turntrans-66.7-25-174.166.80000114Y844 I845Y844-S849 WeakPolarHBondContact O-CB 3.43Å; Y844-S849 PolarHBondContact O-N 2.81Å; Y844-S849 PolarHBondContact O-OG 2.76Å; I845-S849 PolarHBondContact O-OG 2.97Å
850V94.4Very high95.3Very high1 Ų144.9 Ų44.91%0.00621%0.213CC..THydrogen-bonded Turntrans-118.513.5-174.7-60.90000112.9W729 F730 F846 T848 T852 I853 Y854W729-V850 HydrophobicContact CZ2-CG2 4.29Å; F730-V850 HydrophobicContact CB-CB 3.91Å; F730-V850 HydrophobicContact CB-CG1 3.61Å; F730-V850 WeakPolarHBondContact O-CG1 3.47Å; F846-V850 WeakPolarHBondContact O-CG2 3.36Å; T848-V850 VanDerWaalsContact C-N 3.26Å; T848-V850 PolarHBondContact O-N 2.86Å; V850-T852 VanDerWaalsContact C-N 3.35Å; V850-T852 PolarHBondContact O-N 3.35Å; V850-I853 HydrophobicContact CB-CD1 4.09Å; V850-I853 HydrophobicContact CB-CG1 4Å; V850-I853 HydrophobicContact CG1-CD1 4.21Å; V850-I853 WeakPolarHBondContact O-CG1 3.45Å; V850-I853 PolarHBondContact O-N 3.45Å; V850-Y854 WeakPolarHBondContact O-CB 3.44Å; V850-Y854 PolarHBondContact O-N 3.31Å
851K94.4Very high95.2Very high155 Ų15541.1 Ų41.167%0.67420%0.197SC*.Hα-helixtrans-52.5-47.4-168.8-175.2177179.8178.10113.7N847 T848 K855N847-K851 WeakPolarHBondContact O-CA 3.23Å; N847-K851 WeakPolarHBondContact O-CB 3.22Å; N847-K851 PolarHBondContact O-N 2.92Å; N847-K851 VanDerWaalsContact O-N 3.15Å; T848-K851 PolarHBondContact O-N 3.43Å; K851-K855 WeakPolarHBondContact O-CB 3.39Å; K851-K855 PolarHBondContact O-N 3.38Å; K851-K855 VanDerWaalsContact O-N 3.16Å
852T94.4Very high95.1Very high86 Ų8642.8 Ų42.853%0.52820%0.203SC..Hα-helixtrans-70.5-50.3-174.1-52.50000111.7N738 V850 K855 E856N738-T852 WeakPolarHBondContact ND2-CG2 3.5Å; V850-T852 VanDerWaalsContact C-N 3.35Å; V850-T852 PolarHBondContact O-N 3.35Å; T852-K855 WeakPolarHBondContact O-CB 3.07Å; T852-K855 PolarHBondContact O-N 2.88Å; T852-E856 PolarHBondContact O-N 3.17Å
853I95.4Very high94.8Very high7 Ų742.4 Ų42.44%0.03620%0.201CC..Hα-helixtrans-67.9-40.6179.954-172.1000112.4F730 P731 P734 N738 Y741 V850 K855 E856 F857F730-I853 HydrophobicContact CB-CD1 3.64Å; F730-I853 HydrophobicContact CB-CG1 4.18Å; F730-I853 HydrophobicContact CD1-CD1 4.42Å; F730-I853 HydrophobicContact CD1-CG1 4.42Å; F730-I853 HydrophobicContact CG-CD1 4.4Å; P731-I853 WeakPolarHBondContact O-CD1 3.5Å; P734-I853 HydrophobicContact CB-CG2 4.33Å; P734-I853 HydrophobicContact CG-CG2 3.91Å; N738-I853 WeakPolarHBondContact OD1-CG2 3.23Å; Y741-I853 HydrophobicContact CD2-CB 4.08Å; Y741-I853 HydrophobicContact CD2-CG2 3.78Å; Y741-I853 HydrophobicContact CE2-CB 4.38Å; Y741-I853 HydrophobicContact CE2-CG2 3.84Å; Y741-I853 HydrophobicContact CG-CB 4.18Å; Y741-I853 HydrophobicContact CG-CG2 4.39Å; V850-I853 HydrophobicContact CB-CD1 4.09Å; V850-I853 HydrophobicContact CB-CG1 4Å; V850-I853 HydrophobicContact CG1-CD1 4.21Å; V850-I853 WeakPolarHBondContact O-CG1 3.45Å; V850-I853 PolarHBondContact O-N 3.45Å; I853-K855 VanDerWaalsContact C-N 3.28Å; I853-K855 PolarHBondContact O-N 2.84Å; I853-E856 PolarHBondContact O-N 3.23Å; I853-F857 PolarHBondContact O-N 2.91Å
854Y96.3Very high94.4Very high24 Ų2439.5 Ų39.59%0.09419%0.186CC..Hα-helixtrans-62.7-37.1175.9177.9-99.9000111.6F730 L766 K769 L770 V850 E856 F857 Y858F730-Y854 AromaticContact CE2-CD2 3.88Å; F730-Y854 HydrophobicContact CE2-CD2 3.88Å; F730-Y854 HydrophobicContact CZ-CD2 4.29Å; L766-Y854 HydrophobicContact CD1-CD2 4.5Å; L766-Y854 HydrophobicContact CD1-CE2 3.96Å; K769-Y854 HydrophobicContact CB-CE1 4.24Å; K769-Y854 HydrophobicContact CB-CE2 4Å; K769-Y854 WeakPolarHBondContact CB-OH 3.15Å; K769-Y854 HydrophobicContact CD-CE2 4.28Å; K769-Y854 VanDerWaalsContact CE-CD2 3.49Å; K769-Y854 VanDerWaalsContact CE-CE2 3.43Å; K769-Y854 PolarHBondContact O-OH 2.88Å; L770-Y854 PolarHBondContact N-OH 3.23Å; V850-Y854 WeakPolarHBondContact O-CB 3.44Å; V850-Y854 PolarHBondContact O-N 3.31Å; Y854-E856 VanDerWaalsContact C-N 3.32Å; Y854-E856 PolarHBondContact O-N 3.49Å; Y854-F857 HydrophobicContact CD2-CD1 4.27Å; Y854-F857 HydrophobicContact CE2-CD1 4.09Å; Y854-F857 PolarHBondContact O-N 2.9Å; Y854-Y858 HydrophobicContact CE1-CD2 4.21Å; Y854-Y858 VanDerWaalsContact O-CB 3.24Å; Y854-Y858 WeakPolarHBondContact O-CB 3.32Å; Y854-Y858 PolarHBondContact O-N 2.78Å
855K96.4Very high94Very high142 Ų14238.5 Ų38.562%0.61718%0.183SC*.Hα-helixtrans-61.3-41176.4-176.3-175.4177.7-172.60111.7K851 T852 I853 R859K851-K855 WeakPolarHBondContact O-CB 3.39Å; K851-K855 PolarHBondContact O-N 3.38Å; K851-K855 VanDerWaalsContact O-N 3.16Å; T852-K855 WeakPolarHBondContact O-CB 3.07Å; T852-K855 PolarHBondContact O-N 2.88Å; I853-K855 VanDerWaalsContact C-N 3.28Å; I853-K855 PolarHBondContact O-N 2.84Å; K855-R859 WeakPolarHBondContact O-CB 3.46Å; K855-R859 PolarHBondContact O-N 3Å
856E97.1Very high93.3Very high28 Ų2839.9 Ų39.913%0.13119%0.19CC..Hα-helixtrans-68.1-46.1176.7-67.2-59.9119.100111.4N738 F742 T852 I853 Y854 Y858 R859 G860N738-E856 HydrophobicContact CB-CG 4.09Å; N738-E856 VanDerWaalsContact O-CB 3.3Å; N738-E856 WeakPolarHBondContact O-CB 3.28Å; F742-E856 WeakPolarHBondContact CA-O 3.4Å; F742-E856 HydrophobicContact CB-CB 4.15Å; T852-E856 PolarHBondContact O-N 3.17Å; I853-E856 PolarHBondContact O-N 3.23Å; Y854-E856 VanDerWaalsContact C-N 3.32Å; Y854-E856 PolarHBondContact O-N 3.49Å; E856-Y858 PolarHBondContact O-N 3.44Å; E856-R859 VanDerWaalsContact CD-NH1 3.33Å; E856-R859 PolarHBondContact O-N 3.46Å; E856-R859 IonicContact OE1-CZ 2.7Å; E856-R859 IonicContact OE1-NH1 3.15Å; E856-R859 PolarHBondContact OE1-NH1 2.92Å; E856-R859 IonicContact OE1-NH2 2.78Å; E856-R859 IonicContact OE2-CZ 3.96Å; E856-R859 IonicContact OE2-NH1 2.93Å; E856-R859 PolarHBondContact OE2-NH1 3.48Å; E856-R859 VanDerWaalsContact OE2-NH1 3.17Å; E856-R859 IonicContact OE2-NH2 3.66Å; E856-R859 PolarHBondContact OE2-NH2 3.1Å; E856-G860 PolarHBondContact O-N 3.38Å
857F97.1Very high92.7Very high1 Ų142.2 Ų42.20%0.00420%0.202CC..Hα-helixtrans-55.2-49.7172.6171.7-95.6000112.4F730 Y741 F744 C748 L766 L770 I853 Y854 R859 G860 F861F730-F857 HydrophobicContact CE1-CB 4.01Å; F730-F857 HydrophobicContact CE1-CD2 4.33Å; F730-F857 HydrophobicContact CE1-CG 4.08Å; F730-F857 HydrophobicContact CZ-CB 4Å; F730-F857 AromaticContact CZ-CD1 3.85Å; F730-F857 HydrophobicContact CZ-CD1 3.85Å; F730-F857 HydrophobicContact CZ-CD2 4.09Å; F730-F857 HydrophobicContact CZ-CE1 4.39Å; F730-F857 AromaticContact CZ-CG 3.69Å; F730-F857 HydrophobicContact CZ-CG 3.69Å; Y741-F857 WeakPolarHBondContact O-CA 3.46Å; F744-F857 AromaticContact CD1-CD2 3.9Å; F744-F857 HydrophobicContact CD1-CD2 3.9Å; F744-F857 AromaticContact CD1-CE2 3.75Å; F744-F857 HydrophobicContact CD1-CE2 3.75Å; F744-F857 HydrophobicContact CE1-CE2 4.07Å; C748-F857 HydrophobicContact CB-CE2 4.45Å; L766-F857 HydrophobicContact CD1-CD1 4.3Å; L766-F857 HydrophobicContact CD1-CE1 3.7Å; L766-F857 HydrophobicContact CD1-CZ 4.3Å; L766-F857 HydrophobicContact CD2-CE1 4.35Å; L766-F857 HydrophobicContact CD2-CZ 4.15Å; L766-F857 HydrophobicContact CG-CE1 4.4Å; L770-F857 HydrophobicContact CD1-CE1 4.4Å; L770-F857 HydrophobicContact CD2-CE1 3.97Å; L770-F857 HydrophobicContact CG-CE1 4.42Å; I853-F857 PolarHBondContact O-N 2.91Å; Y854-F857 HydrophobicContact CD2-CD1 4.27Å; Y854-F857 HydrophobicContact CE2-CD1 4.09Å; Y854-F857 PolarHBondContact O-N 2.9Å; F857-R859 VanDerWaalsContact C-N 3.31Å; F857-R859 PolarHBondContact O-N 3.17Å; F857-G860 PolarHBondContact O-N 3.36Å; F857-G860 VanDerWaalsContact O-N 3.14Å; F857-F861 PolarHBondContact O-N 3.48Å
858Y95.9Very high91.9Very high51 Ų5143.6 Ų43.620%0.221%0.21CC..Hα-helixtrans-57.6-44.3177.4178.6-80000111L770 K772 Y854 E856 G860 F861 Y862L770-Y858 HydrophobicContact CD2-CD2 4.21Å; K772-Y858 WeakPolarHBondContact CE-OH 3.5Å; Y854-Y858 HydrophobicContact CE1-CD2 4.21Å; Y854-Y858 VanDerWaalsContact O-CB 3.24Å; Y854-Y858 WeakPolarHBondContact O-CB 3.32Å; Y854-Y858 PolarHBondContact O-N 2.78Å; E856-Y858 PolarHBondContact O-N 3.44Å; Y858-G860 VanDerWaalsContact C-N 3.34Å; Y858-G860 PolarHBondContact O-N 3.07Å; Y858-F861 PolarHBondContact O-N 3.28Å; Y858-Y862 AromaticContact CD1-CD2 3.88Å; Y858-Y862 HydrophobicContact CD1-CD2 3.88Å; Y858-Y862 HydrophobicContact CD1-CE2 4.44Å; Y858-Y862 AromaticContact CD2-CD2 3.97Å; Y858-Y862 HydrophobicContact CD2-CD2 3.97Å; Y858-Y862 AromaticContact CD2-CE2 3.74Å; Y858-Y862 HydrophobicContact CD2-CE2 3.74Å; Y858-Y862 AromaticContact CE1-CD2 3.55Å; Y858-Y862 HydrophobicContact CE1-CD2 3.55Å; Y858-Y862 HydrophobicContact CE1-CE2 4.01Å; Y858-Y862 HydrophobicContact CE1-CG 4.48Å; Y858-Y862 AromaticContact CE2-CD2 3.71Å; Y858-Y862 HydrophobicContact CE2-CD2 3.71Å; Y858-Y862 AromaticContact CE2-CE2 3.27Å; Y858-Y862 HydrophobicContact CE2-CE2 3.27Å; Y858-Y862 HydrophobicContact CG-CD2 4.06Å; Y858-Y862 HydrophobicContact CG-CE2 4.3Å; Y858-Y862 AromaticContact CZ-CD2 3.44Å; Y858-Y862 VanDerWaalsContact CZ-CD2 3.44Å; Y858-Y862 AromaticContact CZ-CE2 3.39Å; Y858-Y862 WeakPolarHBondContact O-CD2 3.47Å; Y858-Y862 PolarHBondContact O-N 2.94Å; Y858-Y862 VanDerWaalsContact O-N 3.14Å
859R95Very high91.3Very high119 Ų11939.9 Ų39.945%0.44919%0.187SC..Hα-helixtrans-64.4-39.5177.7-165.8179.475.9-134.1-5.3111.6F742 K855 E856 F857 T863F742-R859 HydrophobicContact CD2-CB 4.09Å; F742-R859 HydrophobicContact CD2-CG 4.31Å; F742-R859 HydrophobicContact CE2-CB 4.24Å; F742-R859 HydrophobicContact CE2-CG 4.02Å; K855-R859 WeakPolarHBondContact O-CB 3.46Å; K855-R859 PolarHBondContact O-N 3Å; E856-R859 VanDerWaalsContact CD-NH1 3.33Å; E856-R859 PolarHBondContact O-N 3.46Å; E856-R859 IonicContact OE1-CZ 2.7Å; E856-R859 IonicContact OE1-NH1 3.15Å; E856-R859 PolarHBondContact OE1-NH1 2.92Å; E856-R859 IonicContact OE1-NH2 2.78Å; E856-R859 IonicContact OE2-CZ 3.96Å; E856-R859 IonicContact OE2-NH1 2.93Å; E856-R859 PolarHBondContact OE2-NH1 3.48Å; E856-R859 VanDerWaalsContact OE2-NH1 3.17Å; E856-R859 IonicContact OE2-NH2 3.66Å; E856-R859 PolarHBondContact OE2-NH2 3.1Å; F857-R859 VanDerWaalsContact C-N 3.31Å; F857-R859 PolarHBondContact O-N 3.17Å; R859-T863 PolarHBondContact O-N 2.99Å; R859-T863 PolarHBondContact O-OG1 3.44Å
860G93.9Very high90.9Very high0 Ų039.1 Ų39.10%018%0.181CC..Hα-helixtrans-63.1-48.5175.900000112.7F742 G745 E856 F857 Y858 Y862 T863F742-G860 VanDerWaalsContact CD2-CA 3.45Å; F742-G860 VanDerWaalsContact CD2-N 3.31Å; F742-G860 VanDerWaalsContact CE2-CA 3.48Å; F742-G860 WeakPolarHBondContact O-CA 3.4Å; G745-G860 VanDerWaalsContact C-C 3.48Å; E856-G860 PolarHBondContact O-N 3.38Å; F857-G860 PolarHBondContact O-N 3.36Å; F857-G860 VanDerWaalsContact O-N 3.14Å; Y858-G860 VanDerWaalsContact C-N 3.34Å; Y858-G860 PolarHBondContact O-N 3.07Å; G860-Y862 PolarHBondContact O-N 2.96Å; G860-T863 VanDerWaalsContact O-CB 3.25Å; G860-T863 WeakPolarHBondContact O-CB 3.46Å; G860-T863 PolarHBondContact O-N 3.08Å; G860-T863 VanDerWaalsContact O-N 3.14Å
861F94.3Very high90.3Very high0 Ų044 Ų440%020%0.2CC..Hα-helixtrans-58.2-48.2179-176-93.8000112.4G745 C748 L752 L770 F857 Y858 T863 V864 C865 I870 I882G745-F861 VanDerWaalsContact O-CA 3.26Å; G745-F861 WeakPolarHBondContact O-CA 3.29Å; G745-F861 PolarHBondContact O-N 3.3Å; C748-F861 HydrophobicContact CB-CD2 3.98Å; C748-F861 HydrophobicContact CB-CE2 4.38Å; L752-F861 HydrophobicContact CD2-CE2 4.41Å; L752-F861 HydrophobicContact CD2-CZ 3.91Å; L770-F861 HydrophobicContact CD1-CD1 4.38Å; L770-F861 HydrophobicContact CD1-CD2 4.47Å; L770-F861 HydrophobicContact CD1-CE1 4.23Å; L770-F861 HydrophobicContact CD1-CE2 4.33Å; L770-F861 HydrophobicContact CD1-CG 4.49Å; L770-F861 HydrophobicContact CD1-CZ 4.2Å; L770-F861 HydrophobicContact CD2-CB 4.25Å; L770-F861 HydrophobicContact CD2-CD1 3.76Å; L770-F861 HydrophobicContact CD2-CE1 4.29Å; L770-F861 HydrophobicContact CD2-CG 3.98Å; F857-F861 PolarHBondContact O-N 3.48Å; Y858-F861 PolarHBondContact O-N 3.28Å; F861-T863 VanDerWaalsContact C-N 3.27Å; F861-T863 PolarHBondContact O-N 3.34Å; F861-V864 PolarHBondContact O-N 3.04Å; F861-C865 HydrophobicContact CD1-CB 4.39Å; F861-C865 HydrophobicContact CE1-CB 4.01Å; F861-C865 HydrophobicContact CZ-CB 4.38Å; F861-C865 PolarHBondContact O-N 3.34Å; F861-I870 HydrophobicContact CE1-CD1 4.48Å; F861-I870 HydrophobicContact CE1-CG1 4.34Å; F861-I870 HydrophobicContact CE1-CG2 4.31Å; F861-I870 HydrophobicContact CZ-CD1 4.47Å; F861-I882 HydrophobicContact CE2-CD1 4.05Å; F861-I882 HydrophobicContact CZ-CD1 4.26Å
862Y91.8Very high89.5Confident35 Ų3540.1 Ų40.114%0.13718%0.184CC..Hα-helixtrans-80.6-0.6179.3-73.1-66.6000114.8L770 Y858 G860 V864 L867 I870L770-Y862 HydrophobicContact CD2-CE2 3.99Å; L770-Y862 PolarHBondContact O-OH 3.36Å; Y858-Y862 AromaticContact CD1-CD2 3.88Å; Y858-Y862 HydrophobicContact CD1-CD2 3.88Å; Y858-Y862 HydrophobicContact CD1-CE2 4.44Å; Y858-Y862 AromaticContact CD2-CD2 3.97Å; Y858-Y862 HydrophobicContact CD2-CD2 3.97Å; Y858-Y862 AromaticContact CD2-CE2 3.74Å; Y858-Y862 HydrophobicContact CD2-CE2 3.74Å; Y858-Y862 AromaticContact CE1-CD2 3.55Å; Y858-Y862 HydrophobicContact CE1-CD2 3.55Å; Y858-Y862 HydrophobicContact CE1-CE2 4.01Å; Y858-Y862 HydrophobicContact CE1-CG 4.48Å; Y858-Y862 AromaticContact CE2-CD2 3.71Å; Y858-Y862 HydrophobicContact CE2-CD2 3.71Å; Y858-Y862 AromaticContact CE2-CE2 3.27Å; Y858-Y862 HydrophobicContact CE2-CE2 3.27Å; Y858-Y862 HydrophobicContact CG-CD2 4.06Å; Y858-Y862 HydrophobicContact CG-CE2 4.3Å; Y858-Y862 AromaticContact CZ-CD2 3.44Å; Y858-Y862 VanDerWaalsContact CZ-CD2 3.44Å; Y858-Y862 AromaticContact CZ-CE2 3.39Å; Y858-Y862 WeakPolarHBondContact O-CD2 3.47Å; Y858-Y862 PolarHBondContact O-N 2.94Å; Y858-Y862 VanDerWaalsContact O-N 3.14Å; G860-Y862 PolarHBondContact O-N 2.96Å; Y862-V864 VanDerWaalsContact C-N 3.28Å; Y862-L867 HydrophobicContact CD1-CB 3.97Å; Y862-L867 HydrophobicContact CD1-CD1 3.74Å; Y862-L867 HydrophobicContact CD1-CG 4.45Å; Y862-L867 HydrophobicContact CD2-CD1 4.41Å; Y862-L867 HydrophobicContact CE1-CB 4.12Å; Y862-L867 HydrophobicContact CE1-CD1 3.34Å; Y862-L867 HydrophobicContact CE1-CG 4.33Å; Y862-L867 HydrophobicContact CE2-CD1 4.07Å; Y862-L867 HydrophobicContact CG-CD1 4.26Å; Y862-I870 HydrophobicContact CE1-CB 3.98Å; Y862-I870 HydrophobicContact CE1-CG1 4.21Å; Y862-I870 HydrophobicContact CE1-CG2 4.03Å; Y862-I870 VanDerWaalsContact OH-CG2 3.29Å; Y862-I870 WeakPolarHBondContact OH-CG2 3.23Å
863T89.4Confident89.1Confident5 Ų536.2 Ų36.23%0.03116%0.16CC..Hα-helixtrans-67.3-36.5166.1-66.70000110.4F677 L680 K681 R859 G860 F861F677-T863 HydrophobicContact CD1-CG2 4.36Å; F677-T863 HydrophobicContact CD2-CG2 3.72Å; F677-T863 HydrophobicContact CE1-CG2 3.93Å; F677-T863 HydrophobicContact CE2-CG2 3.22Å; F677-T863 WeakPolarHBondContact CE2-OG1 3.44Å; F677-T863 HydrophobicContact CG-CG2 4.28Å; F677-T863 HydrophobicContact CZ-CG2 3.34Å; F677-T863 WeakPolarHBondContact CZ-OG1 3.4Å; L680-T863 HydrophobicContact CB-CG2 4.09Å; L680-T863 HydrophobicContact CD1-CG2 3.88Å; K681-T863 VanDerWaalsContact CE-O 3.29Å; K681-T863 WeakPolarHBondContact CE-O 3.11Å; K681-T863 WeakPolarHBondContact CG-O 3.02Å; R859-T863 PolarHBondContact O-N 2.99Å; R859-T863 PolarHBondContact O-OG1 3.44Å; G860-T863 VanDerWaalsContact O-CB 3.25Å; G860-T863 WeakPolarHBondContact O-CB 3.46Å; G860-T863 PolarHBondContact O-N 3.08Å; G860-T863 VanDerWaalsContact O-N 3.14Å; F861-T863 VanDerWaalsContact C-N 3.27Å; F861-T863 PolarHBondContact O-N 3.34Å
864V87.3Confident88.7Confident5 Ų538.4 Ų38.43%0.0317%0.17CC..Hα-helixtrans-95.4-48.8-178.4-170.90000111.1V746 L750 F861 Y862V746-V864 HydrophobicContact CB-CG2 4.47Å; V746-V864 HydrophobicContact CG1-CG2 3.91Å; L750-V864 HydrophobicContact CD2-CG1 4.01Å; L750-V864 HydrophobicContact CD2-CG2 4.36Å; L750-V864 HydrophobicContact CG-CG1 4.38Å; L750-V864 HydrophobicContact CG-CG2 4.18Å; F861-V864 PolarHBondContact O-N 3.04Å; Y862-V864 VanDerWaalsContact C-N 3.28Å
865C87Confident88.4Confident6 Ų637.4 Ų37.44%0.04117%0.166CC..SBendtrans-87.1141.4-172.7-610000113.4G749 F861 L867 I870G749-C865 VanDerWaalsContact CA-SG 3.56Å; F861-C865 HydrophobicContact CD1-CB 4.39Å; F861-C865 HydrophobicContact CE1-CB 4.01Å; F861-C865 HydrophobicContact CZ-CB 4.38Å; F861-C865 PolarHBondContact O-N 3.34Å; C865-L867 PolarHBondContact O-N 3.44Å; C865-I870 HydrophobicContact CB-CD1 4.26Å; C865-I870 HydrophobicContact CB-CG1 3.9Å
866N81.6Confident88.1Confident30 Ų3035.3 Ų35.316%0.1616%0.159CC..  trans-73.8117.3174.4-169.7-31.4000111.4D635 D868 I869 I870D635-N866 PolarHBondContact OD1-ND2 3.2Å; D635-N866 WeakPolarHBondContact OD2-CB 3.31Å; N866-D868 VanDerWaalsContact C-N 3.28Å; N866-D868 PolarHBondContact O-N 3.3Å; N866-D868 PolarHBondContact OD1-N 2.69Å; N866-I869 HydrophobicContact CB-CB 4.31Å; N866-I869 HydrophobicContact CB-CD1 3.98Å; N866-I869 HydrophobicContact CB-CG1 4.12Å; N866-I869 PolarHBondContact O-N 3.46Å; N866-I870 WeakPolarHBondContact O-CG1 3.35Å; N866-I870 PolarHBondContact O-N 2.9Å
867L83.1Confident87.7Confident49 Ų4935.7 Ų35.726%0.25716%0.16SC..Hα-helixtrans-57.8-37.3-179.3-175.963.1000113.3Y862 C865 I869 R871Y862-L867 HydrophobicContact CD1-CB 3.97Å; Y862-L867 HydrophobicContact CD1-CD1 3.74Å; Y862-L867 HydrophobicContact CD1-CG 4.45Å; Y862-L867 HydrophobicContact CD2-CD1 4.41Å; Y862-L867 HydrophobicContact CE1-CB 4.12Å; Y862-L867 HydrophobicContact CE1-CD1 3.34Å; Y862-L867 HydrophobicContact CE1-CG 4.33Å; Y862-L867 HydrophobicContact CE2-CD1 4.07Å; Y862-L867 HydrophobicContact CG-CD1 4.26Å; C865-L867 PolarHBondContact O-N 3.44Å; L867-I869 VanDerWaalsContact C-N 3.34Å; L867-R871 HydrophobicContact CD1-CG 4.2Å; L867-R871 HydrophobicContact CG-CG 4.49Å; L867-R871 WeakPolarHBondContact O-CB 3.41Å; L867-R871 VanDerWaalsContact O-CG 3.24Å; L867-R871 WeakPolarHBondContact O-CG 3.28Å; L867-R871 PolarHBondContact O-N 2.95Å
868D77.8Confident87.4Confident74 Ų7435.6 Ų35.640%0.39616%0.16SC..Hα-helixtrans-72.2-31.1-176.6-65.1-37.8000112N866 Q872N866-D868 VanDerWaalsContact C-N 3.28Å; N866-D868 PolarHBondContact O-N 3.3Å; N866-D868 PolarHBondContact OD1-N 2.69Å; D868-Q872 WeakPolarHBondContact O-CG 3.23Å
869I80.1Confident87.2Confident3 Ų335.8 Ų35.82%0.01516%0.162CC..Hα-helixtrans-76.8-48.3174.6-60.1177.2000110.1I596 L631 M632 D635 N866 L867 R871 Q872 F873I596-I869 HydrophobicContact CD1-CD1 3.85Å; L631-I869 HydrophobicContact CG-CD1 4.45Å; M632-I869 HydrophobicContact CB-CG2 4.06Å; D635-I869 HydrophobicContact CB-CD1 3.69Å; N866-I869 HydrophobicContact CB-CB 4.31Å; N866-I869 HydrophobicContact CB-CD1 3.98Å; N866-I869 HydrophobicContact CB-CG1 4.12Å; N866-I869 PolarHBondContact O-N 3.46Å; L867-I869 VanDerWaalsContact C-N 3.34Å; I869-R871 VanDerWaalsContact C-N 3.33Å; I869-R871 PolarHBondContact O-N 3.4Å; I869-Q872 WeakPolarHBondContact O-CB 3.19Å; I869-Q872 PolarHBondContact O-N 3.36Å; I869-F873 HydrophobicContact CG2-CE2 4.12Å; I869-F873 WeakPolarHBondContact O-CD2 3.05Å
870I86.2Confident86.9Confident0 Ų032 Ų320%015%0.152CC..Hα-helixtrans-62.4-39.4-176.3-65.7-65.4000111.7L752 L771 F861 Y862 C865 N866 Q872 F873 L878L752-I870 HydrophobicContact CD2-CD1 3.64Å; L771-I870 HydrophobicContact CD2-CG2 3.95Å; L771-I870 WeakPolarHBondContact CD2-O 3.29Å; F861-I870 HydrophobicContact CE1-CD1 4.48Å; F861-I870 HydrophobicContact CE1-CG1 4.34Å; F861-I870 HydrophobicContact CE1-CG2 4.31Å; F861-I870 HydrophobicContact CZ-CD1 4.47Å; Y862-I870 HydrophobicContact CE1-CB 3.98Å; Y862-I870 HydrophobicContact CE1-CG1 4.21Å; Y862-I870 HydrophobicContact CE1-CG2 4.03Å; Y862-I870 VanDerWaalsContact OH-CG2 3.29Å; Y862-I870 WeakPolarHBondContact OH-CG2 3.23Å; C865-I870 HydrophobicContact CB-CD1 4.26Å; C865-I870 HydrophobicContact CB-CG1 3.9Å; N866-I870 WeakPolarHBondContact O-CG1 3.35Å; N866-I870 PolarHBondContact O-N 2.9Å; I870-Q872 PolarHBondContact O-N 3Å; I870-F873 WeakPolarHBondContact O-CB 3.43Å; I870-F873 PolarHBondContact O-N 2.95Å; I870-L878 HydrophobicContact CD1-CD1 4.04Å; I870-L878 HydrophobicContact CG2-CD1 4.3Å; I870-L878 HydrophobicContact CG2-CD2 4.05Å
871R82.3Confident86.7Confident105 Ų10532.4 Ų32.440%0.39616%0.155SC..THydrogen-bonded Turntrans-59.1-14.5179.3-81.1177.3178.4170.26.2115L867 I869L867-R871 HydrophobicContact CD1-CG 4.2Å; L867-R871 HydrophobicContact CG-CG 4.49Å; L867-R871 WeakPolarHBondContact O-CB 3.41Å; L867-R871 VanDerWaalsContact O-CG 3.24Å; L867-R871 WeakPolarHBondContact O-CG 3.28Å; L867-R871 PolarHBondContact O-N 2.95Å; I869-R871 VanDerWaalsContact C-N 3.33Å; I869-R871 PolarHBondContact O-N 3.4Å
872Q77.3Confident86.4Confident73 Ų7332.5 Ų32.534%0.34116%0.156SC..THydrogen-bonded Turntrans-93-4.4-179.6-54.1-69.6-19.800112.8L620 D868 I869 I870L620-Q872 HydrophobicContact CB-CB 3.7Å; L620-Q872 HydrophobicContact CB-CG 3.96Å; L620-Q872 HydrophobicContact CD1-CB 4.05Å; L620-Q872 HydrophobicContact CD1-CG 3.8Å; D868-Q872 WeakPolarHBondContact O-CG 3.23Å; I869-Q872 WeakPolarHBondContact O-CB 3.19Å; I869-Q872 PolarHBondContact O-N 3.36Å; I870-Q872 PolarHBondContact O-N 3Å
873F86.3Confident86.2Confident4 Ų431.5 Ų31.52%0.01815%0.153CC..SBendtrans-80.8146.1171.6-73.4-115.8000109.7L625 K628 I629 L771 I869 I870 E877 L878 A881L625-F873 HydrophobicContact CD1-CD1 3.87Å; L625-F873 HydrophobicContact CD1-CE1 3.59Å; K628-F873 HydrophobicContact CB-CE1 4.01Å; K628-F873 HydrophobicContact CB-CE2 3.84Å; K628-F873 HydrophobicContact CB-CZ 3.5Å; K628-F873 VanDerWaalsContact CB-CZ 3.5Å; I629-F873 HydrophobicContact CG1-CE1 4.1Å; I629-F873 HydrophobicContact CG1-CZ 4.33Å; L771-F873 WeakPolarHBondContact CD1-O 3.42Å; L771-F873 HydrophobicContact CD2-CB 4.45Å; I869-F873 HydrophobicContact CG2-CE2 4.12Å; I869-F873 WeakPolarHBondContact O-CD2 3.05Å; I870-F873 WeakPolarHBondContact O-CB 3.43Å; I870-F873 PolarHBondContact O-N 2.95Å; F873-E877 WeakPolarHBondContact CA-OE2 3.29Å; F873-E877 HydrophobicContact CB-CB 4.38Å; F873-E877 HydrophobicContact CD1-CB 4.08Å; F873-L878 HydrophobicContact CB-CB 4.03Å; F873-L878 HydrophobicContact CD1-CB 4.42Å; F873-L878 HydrophobicContact CD1-CD1 4.44Å; F873-A881 HydrophobicContact CE1-CB 4.1Å
874Q86.4Confident85.9Confident52 Ų5231.5 Ų31.524%0.24315%0.154CC..  trans-74.9156.6161.1-60.8-60.1-17.400110.5E578 E876 E877 L878E578-Q874 VanDerWaalsContact CD-NE2 3.35Å; E578-Q874 HydrophobicContact CG-CG 4.41Å; E578-Q874 PolarHBondContact OE2-NE2 3.45Å; Q874-E876 VanDerWaalsContact C-N 3.27Å; Q874-E876 PolarHBondContact O-N 2.96Å; Q874-E877 HydrophobicContact CB-CB 4.21Å; Q874-E877 HydrophobicContact CB-CG 4.04Å; Q874-E877 PolarHBondContact N-OE2 3.43Å; Q874-E877 WeakPolarHBondContact O-CB 3.38Å; Q874-E877 PolarHBondContact O-N 2.91Å; Q874-E877 VanDerWaalsContact O-N 3.14Å; Q874-L878 PolarHBondContact O-N 3.44Å
875P90.9Very high85.2Confident3 Ų333.7 Ų33.72%0.01917%0.166CC..Hα-helixtrans-54.3-41.9179.2-2634.4000113.5L764 K768 L771 Q773 L878 K879L764-P875 HydrophobicContact CD1-CB 3.79Å; L764-P875 HydrophobicContact CD2-CB 4.5Å; L764-P875 HydrophobicContact CG-CB 4.06Å; K768-P875 HydrophobicContact CG-CB 3.74Å; K768-P875 HydrophobicContact CG-CG 3.64Å; L771-P875 HydrophobicContact CD1-CB 4.25Å; L771-P875 HydrophobicContact CD1-CG 3.89Å; Q773-P875 VanDerWaalsContact OE1-CG 3.31Å; P875-L878 PolarHBondContact O-N 3.45Å; P875-K879 WeakPolarHBondContact O-CB 3.23Å; P875-K879 PolarHBondContact O-N 3.12Å
876E89.1Confident84.1Confident99 Ų9937.8 Ų37.846%0.46319%0.187SC..Hα-helixtrans-70.3-38.4179.3-58.475.6-167.800111.2L764 Q874 T880L764-E876 HydrophobicContact CD1-CG 4.08Å; L764-E876 HydrophobicContact CD2-CG 4.33Å; L764-E876 WeakPolarHBondContact CD2-OE1 3.3Å; Q874-E876 VanDerWaalsContact C-N 3.27Å; Q874-E876 PolarHBondContact O-N 2.96Å; E876-T880 VanDerWaalsContact O-CB 3.3Å; E876-T880 WeakPolarHBondContact O-CB 3.37Å; E876-T880 PolarHBondContact O-N 3.05Å; E876-T880 PolarHBondContact O-OG1 3.1Å
877E89.3Confident83.3Confident35 Ų3543 Ų4316%0.16422%0.215CC..Hα-helixtrans-62.6-45.7173.8-76.3-176.6144.600111.2L625 K628 F873 Q874 T880 A881L625-E877 HydrophobicContact CD1-CB 3.85Å; L625-E877 HydrophobicContact CD1-CG 4.23Å; L625-E877 HydrophobicContact CD2-CB 4.46Å; K628-E877 IonicContact NZ-OE1 3.88Å; K628-E877 PolarHBondContact NZ-OE1 3.04Å; K628-E877 IonicContact NZ-OE2 2.77Å; K628-E877 PolarHBondContact NZ-OE2 2.94Å; F873-E877 WeakPolarHBondContact CA-OE2 3.29Å; F873-E877 HydrophobicContact CB-CB 4.38Å; F873-E877 HydrophobicContact CD1-CB 4.08Å; Q874-E877 HydrophobicContact CB-CB 4.21Å; Q874-E877 HydrophobicContact CB-CG 4.04Å; Q874-E877 PolarHBondContact N-OE2 3.43Å; Q874-E877 WeakPolarHBondContact O-CB 3.38Å; Q874-E877 PolarHBondContact O-N 2.91Å; Q874-E877 VanDerWaalsContact O-N 3.14Å; E877-T880 PolarHBondContact O-N 3Å; E877-A881 VanDerWaalsContact O-CB 3.3Å; E877-A881 WeakPolarHBondContact O-CB 3.33Å; E877-A881 PolarHBondContact O-N 2.7Å
878L91.2Very high82.6Confident0 Ų041.7 Ų41.70%021%0.21CC..Hα-helixtrans-67.4-40.8179.3-175.761.6000111.5L752 Y767 L770 L771 I870 F873 Q874 P875 A881 I882L752-L878 HydrophobicContact CD2-CD1 4.07Å; Y767-L878 HydrophobicContact CD1-CB 4.46Å; Y767-L878 HydrophobicContact CD1-CD2 4.33Å; Y767-L878 HydrophobicContact CD1-CG 4.04Å; L770-L878 HydrophobicContact CB-CD2 4.17Å; L770-L878 HydrophobicContact CD1-CD2 4.25Å; L771-L878 HydrophobicContact CD1-CD2 4.4Å; L771-L878 HydrophobicContact CD2-CD2 4.13Å; L771-L878 HydrophobicContact CG-CD2 4.04Å; I870-L878 HydrophobicContact CD1-CD1 4.04Å; I870-L878 HydrophobicContact CG2-CD1 4.3Å; I870-L878 HydrophobicContact CG2-CD2 4.05Å; F873-L878 HydrophobicContact CB-CB 4.03Å; F873-L878 HydrophobicContact CD1-CB 4.42Å; F873-L878 HydrophobicContact CD1-CD1 4.44Å; Q874-L878 PolarHBondContact O-N 3.44Å; P875-L878 PolarHBondContact O-N 3.45Å; L878-A881 PolarHBondContact O-N 3.49Å; L878-I882 HydrophobicContact CD1-CD1 3.98Å; L878-I882 HydrophobicContact CG-CD1 4.12Å; L878-I882 WeakPolarHBondContact O-CG1 3.11Å; L878-I882 PolarHBondContact O-N 3.41Å
879K91.3Very high82.5Confident55 Ų5542.3 Ų42.324%0.23921%0.213CC..Hα-helixtrans-55.9-54.9171.4-177.5172.1-176.8-177.60109.9L764 Y767 E782 P875 A881 I882 T883L764-K879 HydrophobicContact CD1-CB 4.44Å; L764-K879 HydrophobicContact CD1-CD 4.13Å; Y767-K879 HydrophobicContact CD1-CB 4.09Å; Y767-K879 HydrophobicContact CD2-CB 3.71Å; Y767-K879 HydrophobicContact CD2-CD 4.11Å; Y767-K879 HydrophobicContact CD2-CG 3.96Å; Y767-K879 HydrophobicContact CE1-CB 4.1Å; Y767-K879 HydrophobicContact CE1-CG 4.41Å; Y767-K879 HydrophobicContact CE2-CB 3.73Å; Y767-K879 HydrophobicContact CE2-CD 3.8Å; Y767-K879 HydrophobicContact CE2-CG 3.5Å; Y767-K879 HydrophobicContact CG-CB 3.88Å; E782-K879 IonicContact OE1-NZ 3.55Å; E782-K879 PolarHBondContact OE1-NZ 3.44Å; P875-K879 WeakPolarHBondContact O-CB 3.23Å; P875-K879 PolarHBondContact O-N 3.12Å; K879-A881 VanDerWaalsContact C-N 3.32Å; K879-A881 PolarHBondContact O-N 3.44Å; K879-I882 PolarHBondContact O-N 3.1Å; K879-I882 VanDerWaalsContact O-N 3.1Å; K879-T883 HydrophobicContact CG-CG2 4.45Å; K879-T883 PolarHBondContact O-N 3.08Å; K879-T883 PolarHBondContact O-OG1 3.39Å
880T89.1Confident82.7Confident38 Ų3843.7 Ų43.723%0.23322%0.218CC..Hα-helixtrans-60.8-38.2-179.3-52.20000112.6L625 E876 E877 I882 G884 V940L625-T880 HydrophobicContact CD2-CG2 4.13Å; E876-T880 VanDerWaalsContact O-CB 3.3Å; E876-T880 WeakPolarHBondContact O-CB 3.37Å; E876-T880 PolarHBondContact O-N 3.05Å; E876-T880 PolarHBondContact O-OG1 3.1Å; E877-T880 PolarHBondContact O-N 3Å; T880-I882 VanDerWaalsContact C-N 3.27Å; T880-I882 PolarHBondContact O-N 3.41Å; T880-G884 VanDerWaalsContact O-CA 3.28Å; T880-G884 WeakPolarHBondContact O-CA 3.46Å; T880-G884 PolarHBondContact O-N 3.5Å; T880-V940 HydrophobicContact CG2-CG2 3.97Å
881A89.1Confident82.6Confident9 Ų951 Ų517%0.07425%0.25CS..Hα-helixtrans-62.7-34177.400000112.8L625 I629 L752 F873 E877 L878 K879L625-A881 HydrophobicContact CD1-CB 4.4Å; I629-A881 HydrophobicContact CD1-CB 3.7Å; I629-A881 HydrophobicContact CG1-CB 3.97Å; L752-A881 HydrophobicContact CD1-CB 3.98Å; F873-A881 HydrophobicContact CE1-CB 4.1Å; E877-A881 VanDerWaalsContact O-CB 3.3Å; E877-A881 WeakPolarHBondContact O-CB 3.33Å; E877-A881 PolarHBondContact O-N 2.7Å; L878-A881 PolarHBondContact O-N 3.49Å; K879-A881 VanDerWaalsContact C-N 3.32Å; K879-A881 PolarHBondContact O-N 3.44Å
882I88.9Confident82.5Confident3 Ų349.3 Ų49.32%0.01525%0.247CC..Hα-helixtrans-90.4-41.6-178.6-63.3168.7000111.2L752 V757 V758 L760 Y767 F861 L878 K879 T880L752-I882 HydrophobicContact CB-CG1 4.35Å; L752-I882 HydrophobicContact CD1-CG1 4.02Å; L752-I882 HydrophobicContact CD2-CD1 4.25Å; L752-I882 HydrophobicContact CD2-CG1 4.06Å; L752-I882 HydrophobicContact CG-CG1 4.36Å; V757-I882 CarbonylContact C-O 3.23Å; V757-I882 VanDerWaalsContact CA-O 3.29Å; V757-I882 WeakPolarHBondContact CA-O 3.31Å; V758-I882 HydrophobicContact CG2-CG2 3.86Å; V758-I882 PolarHBondContact N-O 3.35Å; L760-I882 HydrophobicContact CD1-CG2 3.57Å; Y767-I882 HydrophobicContact CD1-CD1 4.26Å; Y767-I882 HydrophobicContact CE1-CB 4.47Å; Y767-I882 HydrophobicContact CE1-CD1 3.88Å; F861-I882 HydrophobicContact CE2-CD1 4.05Å; F861-I882 HydrophobicContact CZ-CD1 4.26Å; L878-I882 HydrophobicContact CD1-CD1 3.98Å; L878-I882 HydrophobicContact CG-CD1 4.12Å; L878-I882 WeakPolarHBondContact O-CG1 3.11Å; L878-I882 PolarHBondContact O-N 3.41Å; K879-I882 PolarHBondContact O-N 3.1Å; K879-I882 VanDerWaalsContact O-N 3.1Å; T880-I882 VanDerWaalsContact C-N 3.27Å; T880-I882 PolarHBondContact O-N 3.41Å
883T86.8Confident82.8Confident14 Ų1446.1 Ų46.19%0.08623%0.232CC..Hα-helixtrans-95.8-11.4-172.765.50000114.6V758 L760 Y767 K879 R937V758-T883 VanDerWaalsContact O-CA 3.32Å; V758-T883 WeakPolarHBondContact O-CA 3.4Å; L760-T883 HydrophobicContact CB-CG2 4.15Å; Y767-T883 WeakPolarHBondContact OH-CG2 3.47Å; K879-T883 HydrophobicContact CG-CG2 4.45Å; K879-T883 PolarHBondContact O-N 3.08Å; K879-T883 PolarHBondContact O-OG1 3.39Å; T883-R937 WeakPolarHBondContact O-CD 3.46Å; T883-R937 PolarHBondContact O-NH1 3.43Å
884G82.5Confident82.9Confident5 Ų547.9 Ų47.95%0.05224%0.24CC..  trans64.8-171.7-173.400000113.1T880 L938T880-G884 VanDerWaalsContact O-CA 3.28Å; T880-G884 WeakPolarHBondContact O-CA 3.46Å; T880-G884 PolarHBondContact O-N 3.5Å; G884-L938 WeakPolarHBondContact CA-O 3.36Å
885N73.8Confident82.9Confident50 Ų5050.4 Ų50.427%0.26726%0.255SS..BIsolated β-bridgetrans-91.3130.7177.6-68-43.6000110.4L938 H939N885-L938 PolarHBondContact N-O 3Å; N885-L938 VanDerWaalsContact N-O 3.12Å; N885-H939 PolarHBondContact ND2-O 2.84Å
886D62.1Low82.7Confident92 Ų9253 Ų5349%0.49227%0.269SS..SBendtrans-83.6-30.4174.851.90.4000112.8C888D886-C888 PolarHBondContact O-N 3.41Å
887N65.1Low82.7Confident139 Ų13948.7 Ų48.774%0.74325%0.25SC*.SBendtrans-96.189.5180-69.3-24.8000111.8
888C68.3Low82.7Confident23 Ų2351.1 Ų51.116%0.15526%0.263CS..  trans-78.4124.9176.6-63.20000111.3D886 W890 L938D886-C888 PolarHBondContact O-N 3.41Å; C888-W890 HydrophobicContact CB-CD2 4.04Å; C888-W890 HydrophobicContact CB-CE3 4.33Å; C888-W890 HydrophobicContact CB-CH2 4.01Å; C888-W890 HydrophobicContact CB-CZ2 3.66Å; C888-W890 HydrophobicContact CB-CZ3 4.32Å; C888-W890 PolarHBondContact O-N 3.09Å; C888-W890 VanDerWaalsContact O-N 3.14Å; C888-L938 HydrophobicContact CB-CD1 3.95Å; C888-L938 WeakPolarHBondContact SG-CD1 3.42Å; C888-L938 VanDerWaalsContact SG-CG 3.57Å
889D77.5Confident82.6Confident87 Ų8753.7 Ų53.747%0.46527%0.273SS..  trans-78.891.6165.7-174.7-18000109.3K891 Q892 F893D889-K891 PolarHBondContact O-N 3.28Å; D889-K891 WeakPolarHBondContact OD1-CB 3.39Å; D889-K891 PolarHBondContact OD1-N 3.13Å; D889-Q892 HydrophobicContact CB-CB 3.99Å; D889-Q892 PolarHBondContact O-N 3.38Å; D889-Q892 VanDerWaalsContact O-N 3.1Å; D889-Q892 PolarHBondContact OD1-N 3.39Å; D889-Q892 VanDerWaalsContact OD1-N 3.11Å; D889-F893 PolarHBondContact O-N 3.05Å
890W84Confident82.4Confident31 Ų3153.6 Ų53.612%0.11727%0.274CS..Hα-helixtrans-62.9-22.3-177.8-59.2108.2000113.7C888 F893 E894 F917 L922 K925 L929C888-W890 HydrophobicContact CB-CD2 4.04Å; C888-W890 HydrophobicContact CB-CE3 4.33Å; C888-W890 HydrophobicContact CB-CH2 4.01Å; C888-W890 HydrophobicContact CB-CZ2 3.66Å; C888-W890 HydrophobicContact CB-CZ3 4.32Å; C888-W890 PolarHBondContact O-N 3.09Å; C888-W890 VanDerWaalsContact O-N 3.14Å; W890-F893 HydrophobicContact CE3-CB 4.49Å; W890-F893 HydrophobicContact CE3-CD1 4.19Å; W890-F893 HydrophobicContact CE3-CG 4.4Å; W890-F893 HydrophobicContact CZ3-CD1 4.45Å; W890-E894 PolarHBondContact O-N 3.25Å; W890-E894 VanDerWaalsContact O-N 3.09Å; W890-F917 HydrophobicContact CD2-CE1 4.29Å; W890-F917 HydrophobicContact CD2-CZ 4.37Å; W890-F917 AromaticContact CE3-CE1 3.83Å; W890-F917 HydrophobicContact CE3-CE1 3.83Å; W890-F917 AromaticContact CE3-CZ 3.65Å; W890-F917 HydrophobicContact CE3-CZ 3.65Å; W890-F917 HydrophobicContact CZ3-CE1 4.46Å; W890-F917 AromaticContact CZ3-CZ 3.83Å; W890-F917 HydrophobicContact CZ3-CZ 3.83Å; W890-L922 HydrophobicContact CZ2-CD1 4.33Å; W890-K925 HydrophobicContact CD2-CD 4.08Å; W890-K925 HydrophobicContact CG-CD 4.23Å; W890-K925 HydrophobicContact CH2-CB 3.85Å; W890-K925 HydrophobicContact CZ2-CB 3.62Å; W890-K925 HydrophobicContact CZ2-CD 4.35Å; W890-K925 HydrophobicContact CZ3-CB 4.43Å; W890-L929 HydrophobicContact CH2-CD2 4.45Å
891K83.7Confident82Confident154 Ų15459.9 Ų59.967%0.6729%0.293SS*.Hα-helixtrans-74.3-40.8173.6-69.8-178.4176.8178.10110.9D889 F893 E894 N895D889-K891 PolarHBondContact O-N 3.28Å; D889-K891 WeakPolarHBondContact OD1-CB 3.39Å; D889-K891 PolarHBondContact OD1-N 3.13Å; K891-F893 VanDerWaalsContact C-N 3.32Å; K891-E894 PolarHBondContact O-N 3.5Å; K891-N895 WeakPolarHBondContact O-CB 3.2Å; K891-N895 PolarHBondContact O-N 2.87Å; K891-N895 PolarHBondContact O-ND2 3.4Å
892Q80.2Confident81.6Confident69 Ų6964.5 Ų64.532%0.32231%0.313SS..Hα-helixtrans-65.4-39.6173.6-169.6171.115.700111.1D889 E894 N895 N896D889-Q892 HydrophobicContact CB-CB 3.99Å; D889-Q892 PolarHBondContact O-N 3.38Å; D889-Q892 VanDerWaalsContact O-N 3.1Å; D889-Q892 PolarHBondContact OD1-N 3.39Å; D889-Q892 VanDerWaalsContact OD1-N 3.11Å; Q892-E894 VanDerWaalsContact C-N 3.34Å; Q892-E894 PolarHBondContact O-N 3.12Å; Q892-N895 PolarHBondContact O-N 3.24Å; Q892-N896 WeakPolarHBondContact O-CB 3.42Å; Q892-N896 PolarHBondContact O-N 3.09Å; Q892-N896 PolarHBondContact O-ND2 3.38Å
893F83.3Confident81.6Confident6 Ų664.7 Ų64.73%0.02631%0.314CS..Hα-helixtrans-58.3-42.6174.7-171.4-104.3000112.5D889 W890 K891 S897 W914 L929 L932 L938 I948D889-F893 PolarHBondContact O-N 3.05Å; W890-F893 HydrophobicContact CE3-CB 4.49Å; W890-F893 HydrophobicContact CE3-CD1 4.19Å; W890-F893 HydrophobicContact CE3-CG 4.4Å; W890-F893 HydrophobicContact CZ3-CD1 4.45Å; K891-F893 VanDerWaalsContact C-N 3.32Å; F893-S897 PolarHBondContact O-N 3.46Å; F893-S897 PolarHBondContact O-OG 3.42Å; F893-W914 HydrophobicContact CD1-CH2 4.07Å; F893-W914 HydrophobicContact CD1-CZ3 4.45Å; F893-W914 HydrophobicContact CE1-CH2 4.39Å; F893-L929 HydrophobicContact CE2-CD1 4.28Å; F893-L929 HydrophobicContact CZ-CD1 4.1Å; F893-L932 HydrophobicContact CZ-CD2 4.01Å; F893-L938 HydrophobicContact CD2-CD1 4.21Å; F893-L938 HydrophobicContact CD2-CD2 4.38Å; F893-L938 HydrophobicContact CE2-CD2 4.05Å; F893-I948 HydrophobicContact CD1-CG1 4.47Å; F893-I948 HydrophobicContact CE1-CD1 4Å; F893-I948 HydrophobicContact CE1-CG1 3.53Å; F893-I948 HydrophobicContact CZ-CG1 3.88Å
894E88.8Confident81.8Confident42 Ų4268.4 Ų68.420%0.19633%0.33CS..Hα-helixtrans-63.4-47.4171.4173.7177.5173.600112.2W890 K891 Q892 N896 S897 W914 H918W890-E894 PolarHBondContact O-N 3.25Å; W890-E894 VanDerWaalsContact O-N 3.09Å; K891-E894 PolarHBondContact O-N 3.5Å; Q892-E894 VanDerWaalsContact C-N 3.34Å; Q892-E894 PolarHBondContact O-N 3.12Å; E894-N896 PolarHBondContact O-N 3.44Å; E894-S897 VanDerWaalsContact O-CB 3.23Å; E894-S897 WeakPolarHBondContact O-CB 3.38Å; E894-S897 PolarHBondContact O-N 3.33Å; E894-S897 PolarHBondContact O-OG 3.01Å; E894-W914 HydrophobicContact CB-CD2 4.11Å; E894-W914 HydrophobicContact CB-CE3 3.94Å; E894-W914 HydrophobicContact CB-CH2 3.79Å; E894-W914 HydrophobicContact CB-CZ2 3.94Å; E894-W914 HydrophobicContact CB-CZ3 3.79Å; E894-W914 HydrophobicContact CG-CD2 3.66Å; E894-W914 HydrophobicContact CG-CE3 4Å; E894-W914 HydrophobicContact CG-CG 4.11Å; E894-W914 HydrophobicContact CG-CH2 4.26Å; E894-W914 HydrophobicContact CG-CZ2 3.92Å; E894-W914 HydrophobicContact CG-CZ3 4.29Å; E894-H918 IonicContact OE2-CD2 2.71Å; E894-H918 IonicContact OE2-CE1 2.66Å; E894-H918 IonicContact OE2-NE2 2.78Å; E894-H918 PolarHBondContact OE2-NE2 2.93Å
895N86.1Confident82.1Confident104 Ų10473.6 Ų73.656%0.55635%0.351SS*.Hα-helixtrans-63.4-30.7-178-77.3-32.5000113.5K891 Q892 S897 K905K891-N895 WeakPolarHBondContact O-CB 3.2Å; K891-N895 PolarHBondContact O-N 2.87Å; K891-N895 PolarHBondContact O-ND2 3.4Å; Q892-N895 PolarHBondContact O-N 3.24Å; N895-S897 VanDerWaalsContact C-N 3.27Å; N895-K905 PolarHBondContact OD1-NZ 3.18Å
896N86.2Confident82.8Confident58 Ų5875.1 Ų75.131%0.3137%0.366SS..THydrogen-bonded Turntrans-78.4-10.8176.3-70.4-11.7000113Q892 E894 Y945 E946Q892-N896 WeakPolarHBondContact O-CB 3.42Å; Q892-N896 PolarHBondContact O-N 3.09Å; Q892-N896 PolarHBondContact O-ND2 3.38Å; E894-N896 PolarHBondContact O-N 3.44Å; N896-Y945 WeakPolarHBondContact O-CE2 3.33Å; N896-Y945 PolarHBondContact O-OH 3.45Å; N896-E946 WeakPolarHBondContact CB-O 3.48Å; N896-E946 PolarHBondContact ND2-O 3.16Å
897S89.3Confident84.3Confident8 Ų872.1 Ų72.16%0.05635%0.349CS..  trans-69.3139-173.8-65.10000112.7F893 E894 N895 Y899 W914 Y945 I948F893-S897 PolarHBondContact O-N 3.46Å; F893-S897 PolarHBondContact O-OG 3.42Å; E894-S897 VanDerWaalsContact O-CB 3.23Å; E894-S897 WeakPolarHBondContact O-CB 3.38Å; E894-S897 PolarHBondContact O-N 3.33Å; E894-S897 PolarHBondContact O-OG 3.01Å; N895-S897 VanDerWaalsContact C-N 3.27Å; S897-Y899 VanDerWaalsContact O-CE2 3.32Å; S897-Y899 WeakPolarHBondContact O-CE2 3.47Å; S897-W914 WeakPolarHBondContact OG-CZ2 3.45Å; S897-Y945 VanDerWaalsContact CA-OH 3.26Å; S897-Y945 WeakPolarHBondContact CA-OH 3.37Å; S897-I948 CarbonylContact C-O 3.55Å; S897-I948 VanDerWaalsContact CA-O 3.24Å; S897-I948 WeakPolarHBondContact CA-O 3.48Å; S897-I948 VanDerWaalsContact CB-O 3.28Å; S897-I948 WeakPolarHBondContact CB-O 3.37Å; S897-I948 PolarHBondContact OG-N 3.01Å
898L88.9Confident85.5Confident86 Ų8669.8 Ų69.845%0.4534%0.341SS..EExtended strand (participates in β ladder)trans-110.4151.5-174.9-68.1174.9000109.6Y945 I948 R949 F950L898-Y945 WeakPolarHBondContact CB-OH 3.48Å; L898-Y945 HydrophobicContact CD1-CD2 4.33Å; L898-Y945 HydrophobicContact CD1-CE2 3.55Å; L898-Y945 HydrophobicContact CG-CE2 3.75Å; L898-Y945 VanDerWaalsContact CG-OH 3.25Å; L898-Y945 WeakPolarHBondContact CG-OH 3.36Å; L898-Y945 PolarHBondContact N-OH 2.82Å; L898-I948 PolarHBondContact N-O 2.89Å; L898-R949 HydrophobicContact CB-CG 4.18Å; L898-R949 CarbonylContact O-C 3.55Å; L898-R949 WeakPolarHBondContact O-CA 3.45Å; L898-F950 PolarHBondContact O-N 3.49Å
899Y90.7Very high86.6Confident54 Ų5469 Ų6921%0.21234%0.335CS..EExtended strand (participates in β ladder)trans-126.3124-175.6-47.4-86.4000109S897 Y903 K905 I910 F950S897-Y899 VanDerWaalsContact O-CE2 3.32Å; S897-Y899 WeakPolarHBondContact O-CE2 3.47Å; Y899-Y903 WeakPolarHBondContact CB-O 3.38Å; Y899-K905 HydrophobicContact CE2-CB 3.99Å; Y899-I910 HydrophobicContact CD1-CD1 4.11Å; Y899-I910 HydrophobicContact CD1-CG1 4.21Å; Y899-I910 HydrophobicContact CD1-CG2 4.31Å; Y899-I910 HydrophobicContact CE1-CD1 4.18Å; Y899-I910 HydrophobicContact CE1-CG1 4.24Å; Y899-I910 HydrophobicContact CE1-CG2 3.53Å; Y899-F950 HydrophobicContact CD1-CB 4.1Å; Y899-F950 AromaticContact CD1-CD2 3.68Å; Y899-F950 HydrophobicContact CD1-CD2 3.68Å; Y899-F950 HydrophobicContact CD1-CE2 4.49Å; Y899-F950 HydrophobicContact CD1-CG 4.2Å; Y899-F950 AromaticContact CE1-CD2 3.52Å; Y899-F950 HydrophobicContact CE1-CD2 3.52Å; Y899-F950 AromaticContact CE1-CE2 3.9Å; Y899-F950 HydrophobicContact CE1-CE2 3.9Å; Y899-F950 HydrophobicContact CE1-CG 4.36Å
900E86.4Confident87.4Confident54 Ų5464.8 Ų64.825%0.25231%0.313SS..EExtended strand (participates in β ladder)trans-97.1143.2176.6-66.2-170.917900110.9E902 Y903 R949 F950 R951E900-E902 PolarHBondContact O-N 2.74Å; E900-Y903 PolarHBondContact O-N 3.09Å; E900-R949 HydrophobicContact CG-CG 3.96Å; E900-R949 WeakPolarHBondContact OE1-CD 2.82Å; E900-R949 IonicContact OE1-NE 2.65Å; E900-R949 IonicContact OE1-NH1 3.17Å; E900-R949 PolarHBondContact OE1-NH1 2.85Å; E900-F950 PolarHBondContact N-O 3.3Å; E900-R951 HydrophobicContact CB-CB 4.43Å; E900-R951 HydrophobicContact CB-CG 4.39Å; E900-R951 WeakPolarHBondContact OE2-CD 3.42Å
901R79.9Confident87.8Confident169 Ų16968.1 Ų68.164%0.63833%0.333SS*.THydrogen-bonded Turntrans60.4-117.1173.1-53.2175.9-179.9-171-4.4112.6Y903R901-Y903 VanDerWaalsContact C-N 3.34Å
902E80.4Confident88.3Confident107 Ų10762.4 Ų62.450%0.531%0.309SS..THydrogen-bonded Turntrans-79.7-13.3-172.9-63.3-179-174.200113.6E900 K975E900-E902 PolarHBondContact O-N 2.74Å; E902-K975 WeakPolarHBondContact OE2-CE 3.22Å; E902-K975 IonicContact OE2-NZ 2.67Å; E902-K975 PolarHBondContact OE2-NZ 3.25Å
903Y90.6Very high89Confident7 Ų759.2 Ų59.23%0.02730%0.295CS..  trans-80.3141.4175.4-74.1-35.1000111.9Y899 E900 R901 H907 I910 F950 C952 L973 P974Y899-Y903 WeakPolarHBondContact CB-O 3.38Å; E900-Y903 PolarHBondContact O-N 3.09Å; R901-Y903 VanDerWaalsContact C-N 3.34Å; Y903-H907 HydrophobicContact CD1-CB 4.31Å; Y903-H907 AromaticContact CD1-CD2 3.96Å; Y903-H907 AromaticContact CD1-CE1 3.99Å; Y903-H907 AromaticContact CD1-CG 3.75Å; Y903-H907 AromaticContact CD1-ND1 3.76Å; Y903-H907 AromaticContact CE1-CE1 3.67Å; Y903-H907 AromaticContact CE1-ND1 3.68Å; Y903-I910 HydrophobicContact CD1-CD1 4.15Å; Y903-I910 HydrophobicContact CD1-CG1 3.95Å; Y903-I910 HydrophobicContact CD2-CD1 4.15Å; Y903-I910 HydrophobicContact CE1-CD1 4.48Å; Y903-I910 HydrophobicContact CE1-CG1 4.46Å; Y903-I910 HydrophobicContact CE2-CD1 4.47Å; Y903-I910 HydrophobicContact CG-CD1 3.97Å; Y903-I910 HydrophobicContact CG-CG1 4.11Å; Y903-F950 HydrophobicContact CD2-CB 3.9Å; Y903-C952 HydrophobicContact CD2-CB 3.83Å; Y903-C952 HydrophobicContact CE1-CB 4.41Å; Y903-C952 HydrophobicContact CE2-CB 3.61Å; Y903-C952 HydrophobicContact CG-CB 4.34Å; Y903-L973 HydrophobicContact CE2-CB 4.06Å; Y903-L973 WeakPolarHBondContact CE2-O 3.49Å; Y903-L973 PolarHBondContact OH-O 3.2Å; Y903-P974 PolarHBondContact OH-O 3.2Å
904H89.2Confident89.5Confident92 Ų9259.4 Ų59.443%0.42630%0.295SS..  trans-148.5165.6171.655.384.2000108.9S906 H907H904-S906 PolarHBondContact CE1-OG 3.44Å; H904-S906 PolarHBondContact ND1-N 2.87Å; H904-S906 PolarHBondContact ND1-OG 2.76Å; H904-S906 PolarHBondContact O-N 3.31Å; H904-H907 PolarHBondContact CE1-N 3.45Å; H904-H907 PolarHBondContact ND1-N 3.26Å; H904-H907 VanDerWaalsContact O-CB 3.26Å; H904-H907 WeakPolarHBondContact O-CB 3.38Å; H904-H907 PolarHBondContact O-N 3.04Å
905K88.8Confident89.7Confident114 Ų11463.8 Ų63.850%0.49631%0.313SS..THydrogen-bonded Turntrans-54.1-30.9-173.1-169.8170.6-175.31690114.5N895 Y899N895-K905 PolarHBondContact OD1-NZ 3.18Å; Y899-K905 HydrophobicContact CE2-CB 3.99Å
906S89.8Confident90.1Very high82 Ų8259 Ų5957%0.57329%0.288SS*.THydrogen-bonded Turntrans-95.65.9179.350.60000114.9H904H904-S906 PolarHBondContact CE1-OG 3.44Å; H904-S906 PolarHBondContact ND1-N 2.87Å; H904-S906 PolarHBondContact ND1-OG 2.76Å; H904-S906 PolarHBondContact O-N 3.31Å
907H92.9Very high90.4Very high28 Ų2856.2 Ų56.213%0.1327%0.273CS..  trans-66.5135.6179.9-173.3-76000110.5Y903 H904 T909 I910 L911Y903-H907 HydrophobicContact CD1-CB 4.31Å; Y903-H907 AromaticContact CD1-CD2 3.96Å; Y903-H907 AromaticContact CD1-CE1 3.99Å; Y903-H907 AromaticContact CD1-CG 3.75Å; Y903-H907 AromaticContact CD1-ND1 3.76Å; Y903-H907 AromaticContact CE1-CE1 3.67Å; Y903-H907 AromaticContact CE1-ND1 3.68Å; H904-H907 PolarHBondContact CE1-N 3.45Å; H904-H907 PolarHBondContact ND1-N 3.26Å; H904-H907 VanDerWaalsContact O-CB 3.26Å; H904-H907 WeakPolarHBondContact O-CB 3.38Å; H904-H907 PolarHBondContact O-N 3.04Å; H907-T909 PolarHBondContact CE1-OG1 3.37Å; H907-T909 PolarHBondContact ND1-N 3.06Å; H907-T909 PolarHBondContact O-N 3.09Å; H907-I910 HydrophobicContact CB-CB 4.28Å; H907-I910 HydrophobicContact CB-CG1 3.99Å; H907-I910 WeakPolarHBondContact O-CB 3.14Å; H907-I910 PolarHBondContact O-N 3.44Å; H907-L911 PolarHBondContact O-N 2.91Å
908P91Very high90.5Very high90 Ų9059.3 Ų59.358%0.58429%0.287SS*.Hα-helixtrans-51.8-47.9-174.6-29.435.1000114.4I910 L911 L912P908-I910 VanDerWaalsContact C-N 3.32Å; P908-I910 PolarHBondContact O-N 3.43Å; P908-L911 PolarHBondContact O-N 3.28Å; P908-L912 WeakPolarHBondContact O-CG 3.49Å; P908-L912 PolarHBondContact O-N 3.33Å
909T92Very high90.7Very high6 Ų661.4 Ų61.44%0.03729%0.292CS..Hα-helixtrans-61.1-35.8176.5-49.60000113.4H907 L912 F913 L973 P974 Y976 M982H907-T909 PolarHBondContact CE1-OG1 3.37Å; H907-T909 PolarHBondContact ND1-N 3.06Å; H907-T909 PolarHBondContact O-N 3.09Å; T909-L912 PolarHBondContact O-N 2.88Å; T909-F913 WeakPolarHBondContact O-CB 3.44Å; T909-F913 PolarHBondContact O-N 3.39Å; T909-L973 HydrophobicContact CG2-CD2 4Å; T909-L973 HydrophobicContact CG2-CG 4.27Å; T909-P974 WeakPolarHBondContact CG2-O 3.34Å; T909-Y976 HydrophobicContact CG2-CD2 4.49Å; T909-Y976 PolarHBondContact OG1-O 2.84Å; T909-M982 HydrophobicContact CG2-CE 3.68Å; T909-M982 WeakPolarHBondContact O-CE 3.28Å
910I93.5Very high90.7Very high0 Ų059.9 Ų59.90%029%0.288CS..Hα-helixtrans-70.3-39.9178.2-64.7-61.3000110.7Y899 Y903 H907 P908 F913 W914 F950 L973Y899-I910 HydrophobicContact CD1-CD1 4.11Å; Y899-I910 HydrophobicContact CD1-CG1 4.21Å; Y899-I910 HydrophobicContact CD1-CG2 4.31Å; Y899-I910 HydrophobicContact CE1-CD1 4.18Å; Y899-I910 HydrophobicContact CE1-CG1 4.24Å; Y899-I910 HydrophobicContact CE1-CG2 3.53Å; Y903-I910 HydrophobicContact CD1-CD1 4.15Å; Y903-I910 HydrophobicContact CD1-CG1 3.95Å; Y903-I910 HydrophobicContact CD2-CD1 4.15Å; Y903-I910 HydrophobicContact CE1-CD1 4.48Å; Y903-I910 HydrophobicContact CE1-CG1 4.46Å; Y903-I910 HydrophobicContact CE2-CD1 4.47Å; Y903-I910 HydrophobicContact CG-CD1 3.97Å; Y903-I910 HydrophobicContact CG-CG1 4.11Å; H907-I910 HydrophobicContact CB-CB 4.28Å; H907-I910 HydrophobicContact CB-CG1 3.99Å; H907-I910 WeakPolarHBondContact O-CB 3.14Å; H907-I910 PolarHBondContact O-N 3.44Å; P908-I910 VanDerWaalsContact C-N 3.32Å; P908-I910 PolarHBondContact O-N 3.43Å; I910-F913 PolarHBondContact O-N 3.24Å; I910-W914 PolarHBondContact O-N 2.85Å; I910-F950 HydrophobicContact CD1-CB 3.89Å; I910-F950 HydrophobicContact CD1-CD1 3.53Å; I910-F950 HydrophobicContact CD1-CD2 4.04Å; I910-F950 HydrophobicContact CD1-CE1 3.99Å; I910-F950 HydrophobicContact CD1-CE2 4.44Å; I910-F950 HydrophobicContact CD1-CG 3.54Å; I910-F950 HydrophobicContact CD1-CZ 4.42Å; I910-L973 HydrophobicContact CD1-CD2 4.24Å
911L92.6Very high90.9Very high100 Ų10061 Ų6152%0.52430%0.299SS..Hα-helixtrans-64.4-41.1174.7-64.5175.7000111.5H907 P908 F913 K915H907-L911 PolarHBondContact O-N 2.91Å; P908-L911 PolarHBondContact O-N 3.28Å; L911-F913 VanDerWaalsContact C-N 3.35Å; L911-K915 VanDerWaalsContact O-CB 3.28Å; L911-K915 WeakPolarHBondContact O-CB 3.45Å; L911-K915 PolarHBondContact O-N 3Å
912L93.6Very high91.2Very high35 Ų3557.6 Ų57.618%0.18329%0.292CS..Hα-helixtrans-60.5-44.6172.9-71.4174000111.2P908 T909 K915 A916 M979 M982P908-L912 WeakPolarHBondContact O-CG 3.49Å; P908-L912 PolarHBondContact O-N 3.33Å; T909-L912 PolarHBondContact O-N 2.88Å; L912-K915 PolarHBondContact O-N 2.93Å; L912-A916 WeakPolarHBondContact O-CB 3.47Å; L912-A916 PolarHBondContact O-N 3.29Å; L912-M979 HydrophobicContact CD2-CB 4.13Å; L912-M979 HydrophobicContact CD2-SD 3.76Å; L912-M982 HydrophobicContact CB-CB 4.48Å; L912-M982 HydrophobicContact CB-CE 3.9Å; L912-M982 HydrophobicContact CB-CG 4.31Å
913F95Very high91.3Very high2 Ų256.8 Ų56.81%0.00929%0.291CS..Hα-helixtrans-59.3-53.9179.6173.9-87.4000111.3T909 I910 L911 K915 A916 F917 F928 I948 F950 L971 L973 M982 L986T909-F913 WeakPolarHBondContact O-CB 3.44Å; T909-F913 PolarHBondContact O-N 3.39Å; I910-F913 PolarHBondContact O-N 3.24Å; L911-F913 VanDerWaalsContact C-N 3.35Å; F913-K915 VanDerWaalsContact C-N 3.29Å; F913-K915 PolarHBondContact O-N 2.93Å; F913-A916 PolarHBondContact O-N 2.94Å; F913-A916 VanDerWaalsContact O-N 3.1Å; F913-F917 HydrophobicContact CD1-CB 4.49Å; F913-F917 HydrophobicContact CE1-CB 4.08Å; F913-F917 HydrophobicContact CE1-CD2 4.44Å; F913-F917 HydrophobicContact CE1-CG 4.32Å; F913-F917 HydrophobicContact CZ-CB 4.36Å; F913-F917 HydrophobicContact CZ-CD2 4.17Å; F913-F917 HydrophobicContact CZ-CG 4.47Å; F913-F917 VanDerWaalsContact O-CB 3.31Å; F913-F917 WeakPolarHBondContact O-CB 3.23Å; F913-F917 PolarHBondContact O-N 3.3Å; F913-F928 HydrophobicContact CE2-CE2 4.14Å; F913-F928 AromaticContact CE2-CZ 3.91Å; F913-F928 HydrophobicContact CE2-CZ 3.91Å; F913-F928 HydrophobicContact CZ-CE1 4.08Å; F913-F928 HydrophobicContact CZ-CE2 4.21Å; F913-F928 AromaticContact CZ-CZ 3.59Å; F913-F928 HydrophobicContact CZ-CZ 3.59Å; F913-I948 HydrophobicContact CE1-CD1 3.58Å; F913-I948 HydrophobicContact CZ-CD1 3.57Å; F913-F950 AromaticContact CD1-CE1 3.71Å; F913-F950 HydrophobicContact CD1-CE1 3.71Å; F913-F950 AromaticContact CD1-CZ 3.52Å; F913-F950 HydrophobicContact CD1-CZ 3.52Å; F913-F950 HydrophobicContact CD2-CE1 4.25Å; F913-F950 AromaticContact CE1-CE1 3.89Å; F913-F950 HydrophobicContact CE1-CE1 3.89Å; F913-F950 AromaticContact CE1-CZ 3.58Å; F913-F950 HydrophobicContact CE1-CZ 3.58Å; F913-F950 HydrophobicContact CE2-CE1 4.39Å; F913-F950 AromaticContact CG-CE1 3.92Å; F913-F950 HydrophobicContact CG-CE1 3.92Å; F913-F950 HydrophobicContact CG-CZ 4.21Å; F913-F950 HydrophobicContact CZ-CE1 4.23Å; F913-F950 HydrophobicContact CZ-CZ 4.26Å; F913-L971 HydrophobicContact CD2-CD2 4.32Å; F913-L971 HydrophobicContact CE2-CD2 3.73Å; F913-L971 HydrophobicContact CZ-CD2 4.16Å; F913-L973 HydrophobicContact CB-CD2 4.15Å; F913-L973 HydrophobicContact CD2-CD1 4.44Å; F913-L973 HydrophobicContact CD2-CD2 4.23Å; F913-L973 HydrophobicContact CG-CD2 4.36Å; F913-M982 HydrophobicContact CB-CE 3.79Å; F913-M982 HydrophobicContact CB-SD 3.89Å; F913-M982 HydrophobicContact CD2-SD 4.02Å; F913-M982 HydrophobicContact CG-SD 4.46Å; F913-L986 HydrophobicContact CE2-CD1 3.93Å
914W94.4Very high91.2Very high9 Ų958.4 Ų58.43%0.03430%0.299CS..Hα-helixtrans-65.6-35.4-177.7-74.5118000112.1F893 E894 S897 I910 A916 F917 H918 I948 F950F893-W914 HydrophobicContact CD1-CH2 4.07Å; F893-W914 HydrophobicContact CD1-CZ3 4.45Å; F893-W914 HydrophobicContact CE1-CH2 4.39Å; E894-W914 HydrophobicContact CB-CD2 4.11Å; E894-W914 HydrophobicContact CB-CE3 3.94Å; E894-W914 HydrophobicContact CB-CH2 3.79Å; E894-W914 HydrophobicContact CB-CZ2 3.94Å; E894-W914 HydrophobicContact CB-CZ3 3.79Å; E894-W914 HydrophobicContact CG-CD2 3.66Å; E894-W914 HydrophobicContact CG-CE3 4Å; E894-W914 HydrophobicContact CG-CG 4.11Å; E894-W914 HydrophobicContact CG-CH2 4.26Å; E894-W914 HydrophobicContact CG-CZ2 3.92Å; E894-W914 HydrophobicContact CG-CZ3 4.29Å; S897-W914 WeakPolarHBondContact OG-CZ2 3.45Å; I910-W914 PolarHBondContact O-N 2.85Å; W914-A916 VanDerWaalsContact C-N 3.33Å; W914-A916 PolarHBondContact O-N 3.43Å; W914-F917 HydrophobicContact CE3-CB 4.27Å; W914-F917 AromaticContact CE3-CD1 3.84Å; W914-F917 HydrophobicContact CE3-CD1 3.84Å; W914-F917 HydrophobicContact CE3-CG 4.24Å; W914-F917 AromaticContact CZ3-CD1 3.66Å; W914-F917 HydrophobicContact CZ3-CD1 3.66Å; W914-F917 AromaticContact CZ3-CE1 4Å; W914-F917 HydrophobicContact CZ3-CE1 4Å; W914-F917 HydrophobicContact CZ3-CG 4.19Å; W914-F917 PolarHBondContact O-N 3.05Å; W914-H918 WeakPolarHBondContact O-CB 3.37Å; W914-H918 PolarHBondContact O-CD2 2.96Å; W914-H918 PolarHBondContact O-N 3.37Å; W914-I948 HydrophobicContact CH2-CD1 3.74Å; W914-I948 HydrophobicContact CH2-CG1 4.12Å; W914-I948 HydrophobicContact CZ2-CD1 4.11Å; W914-I948 HydrophobicContact CZ2-CG1 4.42Å; W914-I948 HydrophobicContact CZ3-CD1 4.48Å; W914-F950 AromaticContact CE2-CE2 4Å; W914-F950 AromaticContact CE2-CZ 3.91Å; W914-F950 AromaticContact CZ2-CE2 3.74Å; W914-F950 HydrophobicContact CZ2-CE2 3.74Å; W914-F950 AromaticContact CZ2-CZ 3.8Å; W914-F950 HydrophobicContact CZ2-CZ 3.8Å; W914-F950 AromaticContact NE1-CE2 3.84Å; W914-F950 AromaticContact NE1-CZ 3.9Å
915K93.1Very high91.2Very high134 Ų13455.1 Ų55.158%0.58328%0.284SS*.Hα-helixtrans-62.2-40.9172.9-168.6178.6-178.2-177.40111.7L911 L912 F913 K919 M979L911-K915 VanDerWaalsContact O-CB 3.28Å; L911-K915 WeakPolarHBondContact O-CB 3.45Å; L911-K915 PolarHBondContact O-N 3Å; L912-K915 PolarHBondContact O-N 2.93Å; F913-K915 VanDerWaalsContact C-N 3.29Å; F913-K915 PolarHBondContact O-N 2.93Å; K915-K919 WeakPolarHBondContact O-CG 3.46Å; K915-M979 HydrophobicContact CB-CE 4.1Å; K915-M979 HydrophobicContact CB-SD 4.41Å; K915-M979 HydrophobicContact CD-CE 4.28Å; K915-M979 HydrophobicContact CD-SD 4.16Å; K915-M979 HydrophobicContact CG-CE 3.95Å; K915-M979 HydrophobicContact CG-SD 4.4Å
916A92.9Very high91Very high3 Ų352.6 Ų52.63%0.02527%0.273CS..Hα-helixtrans-70.5-47.1177.500000110.9L912 F913 W914 H918 K919 M979 M982 E983 L986L912-A916 WeakPolarHBondContact O-CB 3.47Å; L912-A916 PolarHBondContact O-N 3.29Å; F913-A916 PolarHBondContact O-N 2.94Å; F913-A916 VanDerWaalsContact O-N 3.1Å; W914-A916 VanDerWaalsContact C-N 3.33Å; W914-A916 PolarHBondContact O-N 3.43Å; A916-H918 VanDerWaalsContact C-N 3.34Å; A916-H918 PolarHBondContact O-N 2.93Å; A916-K919 WeakPolarHBondContact O-CB 3.47Å; A916-K919 PolarHBondContact O-N 2.99Å; A916-K919 VanDerWaalsContact O-N 3.14Å; A916-M979 VanDerWaalsContact CA-CE 3.46Å; A916-M979 HydrophobicContact CB-CE 3.61Å; A916-M982 HydrophobicContact CB-CG 3.82Å; A916-E983 HydrophobicContact CB-CG 3.96Å; A916-L986 HydrophobicContact CB-CD2 3.93Å
917F93.1Very high90.9Very high0 Ų052.2 Ų52.20%026%0.261CS..Hα-helixtrans-58.4-42.3179.1-176.8-94.5000112.6W890 F913 W914 K919 L920 K925 F928 L986W890-F917 HydrophobicContact CD2-CE1 4.29Å; W890-F917 HydrophobicContact CD2-CZ 4.37Å; W890-F917 AromaticContact CE3-CE1 3.83Å; W890-F917 HydrophobicContact CE3-CE1 3.83Å; W890-F917 AromaticContact CE3-CZ 3.65Å; W890-F917 HydrophobicContact CE3-CZ 3.65Å; W890-F917 HydrophobicContact CZ3-CE1 4.46Å; W890-F917 AromaticContact CZ3-CZ 3.83Å; W890-F917 HydrophobicContact CZ3-CZ 3.83Å; F913-F917 HydrophobicContact CD1-CB 4.49Å; F913-F917 HydrophobicContact CE1-CB 4.08Å; F913-F917 HydrophobicContact CE1-CD2 4.44Å; F913-F917 HydrophobicContact CE1-CG 4.32Å; F913-F917 HydrophobicContact CZ-CB 4.36Å; F913-F917 HydrophobicContact CZ-CD2 4.17Å; F913-F917 HydrophobicContact CZ-CG 4.47Å; F913-F917 VanDerWaalsContact O-CB 3.31Å; F913-F917 WeakPolarHBondContact O-CB 3.23Å; F913-F917 PolarHBondContact O-N 3.3Å; W914-F917 HydrophobicContact CE3-CB 4.27Å; W914-F917 AromaticContact CE3-CD1 3.84Å; W914-F917 HydrophobicContact CE3-CD1 3.84Å; W914-F917 HydrophobicContact CE3-CG 4.24Å; W914-F917 AromaticContact CZ3-CD1 3.66Å; W914-F917 HydrophobicContact CZ3-CD1 3.66Å; W914-F917 AromaticContact CZ3-CE1 4Å; W914-F917 HydrophobicContact CZ3-CE1 4Å; W914-F917 HydrophobicContact CZ3-CG 4.19Å; W914-F917 PolarHBondContact O-N 3.05Å; F917-K919 VanDerWaalsContact C-N 3.27Å; F917-K919 PolarHBondContact O-N 2.91Å; F917-L920 HydrophobicContact CD2-CD1 3.92Å; F917-L920 HydrophobicContact CE2-CD1 4.36Å; F917-L920 VanDerWaalsContact O-CB 3.29Å; F917-L920 WeakPolarHBondContact O-CB 3.42Å; F917-L920 WeakPolarHBondContact O-CG 3.48Å; F917-L920 PolarHBondContact O-N 2.93Å; F917-L920 VanDerWaalsContact O-N 3.16Å; F917-K925 HydrophobicContact CE1-CD 4.28Å; F917-K925 HydrophobicContact CE1-CG 4.29Å; F917-K925 HydrophobicContact CE2-CG 4.18Å; F917-K925 HydrophobicContact CZ-CB 4.28Å; F917-K925 HydrophobicContact CZ-CD 4.31Å; F917-K925 HydrophobicContact CZ-CG 3.89Å; F917-K925 WeakPolarHBondContact O-CE 3.39Å; F917-F928 HydrophobicContact CD2-CD1 4.1Å; F917-F928 HydrophobicContact CD2-CE1 4.35Å; F917-F928 HydrophobicContact CD2-CG 4.41Å; F917-F928 HydrophobicContact CE2-CB 4.33Å; F917-F928 AromaticContact CE2-CD1 3.48Å; F917-F928 HydrophobicContact CE2-CD1 3.48Å; F917-F928 VanDerWaalsContact CE2-CD1 3.48Å; F917-F928 AromaticContact CE2-CE1 3.99Å; F917-F928 HydrophobicContact CE2-CE1 3.99Å; F917-F928 AromaticContact CE2-CG 3.99Å; F917-F928 HydrophobicContact CE2-CG 3.99Å; F917-F928 HydrophobicContact CZ-CD1 4.45Å; F917-L986 HydrophobicContact CB-CD2 4.48Å
918H92.5Very high90.6Very high73 Ų7351 Ų5134%0.33826%0.255SS..Hα-helixtrans-68.9-24.4179.9-77.4-52.5000113.7E894 W914 A916 L920 K925E894-H918 IonicContact OE2-CD2 2.71Å; E894-H918 IonicContact OE2-CE1 2.66Å; E894-H918 IonicContact OE2-NE2 2.78Å; E894-H918 PolarHBondContact OE2-NE2 2.93Å; W914-H918 WeakPolarHBondContact O-CB 3.37Å; W914-H918 PolarHBondContact O-CD2 2.96Å; W914-H918 PolarHBondContact O-N 3.37Å; A916-H918 VanDerWaalsContact C-N 3.34Å; A916-H918 PolarHBondContact O-N 2.93Å; H918-L920 VanDerWaalsContact C-N 3.29Å; H918-K925 PolarHBondContact O-NZ 3.12Å
919K92.2Very high90.4Very high130 Ų13046.8 Ų46.857%0.56523%0.228SC*.Hα-helixtrans-71.5-21.3172.9-69.9175.8178.2-1740113.4K915 A916 F917 M979 E983K915-K919 WeakPolarHBondContact O-CG 3.46Å; A916-K919 WeakPolarHBondContact O-CB 3.47Å; A916-K919 PolarHBondContact O-N 2.99Å; A916-K919 VanDerWaalsContact O-N 3.14Å; F917-K919 VanDerWaalsContact C-N 3.27Å; F917-K919 PolarHBondContact O-N 2.91Å; K919-M979 HydrophobicContact CD-CE 4.28Å; K919-E983 WeakPolarHBondContact CD-OE1 3.42Å; K919-E983 IonicContact NZ-OE1 2.72Å; K919-E983 PolarHBondContact NZ-OE1 2.9Å
920L91.2Very high89.9Confident22 Ų2247 Ų4712%0.11523%0.229CC..SBendtrans-63.5147.3-178.5-61.6177.8000112.4F917 H918 E924 K925 L986 I990F917-L920 HydrophobicContact CD2-CD1 3.92Å; F917-L920 HydrophobicContact CE2-CD1 4.36Å; F917-L920 VanDerWaalsContact O-CB 3.29Å; F917-L920 WeakPolarHBondContact O-CB 3.42Å; F917-L920 WeakPolarHBondContact O-CG 3.48Å; F917-L920 PolarHBondContact O-N 2.93Å; F917-L920 VanDerWaalsContact O-N 3.16Å; H918-L920 VanDerWaalsContact C-N 3.29Å; L920-E924 HydrophobicContact CB-CB 3.92Å; L920-E924 HydrophobicContact CD1-CB 4.43Å; L920-E924 HydrophobicContact CD2-CB 4.16Å; L920-E924 HydrophobicContact CG-CB 4.4Å; L920-K925 HydrophobicContact CB-CG 3.83Å; L920-K925 HydrophobicContact CD1-CG 4.36Å; L920-K925 WeakPolarHBondContact O-CE 3.34Å; L920-K925 PolarHBondContact O-NZ 2.86Å; L920-L986 HydrophobicContact CD1-CD2 3.81Å; L920-L986 HydrophobicContact CD1-CG 4.23Å; L920-L986 HydrophobicContact CD2-CD2 4.3Å; L920-L986 HydrophobicContact CG-CD2 4.2Å; L920-I990 HydrophobicContact CD1-CD1 3.74Å; L920-I990 HydrophobicContact CD2-CD1 3.74Å; L920-I990 HydrophobicContact CG-CD1 4.39Å
921T90.3Very high89.5Confident79 Ų7947.9 Ų47.949%0.48523%0.232SC..  trans-66.7164.6169.164.50000111.6D923 E924 K925T921-D923 VanDerWaalsContact C-N 3.27Å; T921-D923 PolarHBondContact O-N 2.92Å; T921-E924 WeakPolarHBondContact CB-OE2 3.48Å; T921-E924 WeakPolarHBondContact CG2-OE2 3.13Å; T921-E924 PolarHBondContact N-OE2 3.32Å; T921-E924 PolarHBondContact O-N 3.15Å; T921-E924 WeakPolarHBondContact OG1-CB 3.28Å; T921-E924 VanDerWaalsContact OG1-CD 3.31Å; T921-E924 VanDerWaalsContact OG1-CG 3.28Å; T921-E924 WeakPolarHBondContact OG1-CG 3.26Å; T921-E924 PolarHBondContact OG1-N 3.37Å; T921-E924 PolarHBondContact OG1-OE2 3.29Å; T921-K925 WeakPolarHBondContact O-CG 3.43Å; T921-K925 PolarHBondContact O-N 3.32Å
922L85.3Confident89Confident96 Ų9643.1 Ų43.150%0.50321%0.208SC..Hα-helixtrans-60.6-37.6178.3-178.163.2000112.3W890 K925 K926W890-L922 HydrophobicContact CZ2-CD1 4.33Å; L922-K925 PolarHBondContact O-N 3.45Å; L922-K926 WeakPolarHBondContact O-CG 3.24Å; L922-K926 PolarHBondContact O-N 3.29Å
923D84.4Confident88.2Confident90 Ų9042.5 Ų42.548%0.48121%0.205SC..Hα-helixtrans-66.1-44.6177.9-174.365.8000111.5T921 K925 K926 K927T921-D923 VanDerWaalsContact C-N 3.27Å; T921-D923 PolarHBondContact O-N 2.92Å; D923-K925 VanDerWaalsContact C-N 3.34Å; D923-K925 PolarHBondContact O-N 2.95Å; D923-K926 WeakPolarHBondContact O-CB 3.25Å; D923-K926 PolarHBondContact O-N 3.29Å; D923-K927 WeakPolarHBondContact O-CG 3.38Å; D923-K927 PolarHBondContact O-N 2.95Å; D923-K927 WeakPolarHBondContact OD2-CE 3.41Å; D923-K927 IonicContact OD2-NZ 3.95Å; D923-K927 PolarHBondContact OD2-NZ 2.97Å
924E87.8Confident87.3Confident42 Ų4242.5 Ų42.520%0.19621%0.206CC..Hα-helixtrans-62.9-39175.1-73.2168.3137.700112.3L920 T921 K926 K927 F928 Q987 I990L920-E924 HydrophobicContact CB-CB 3.92Å; L920-E924 HydrophobicContact CD1-CB 4.43Å; L920-E924 HydrophobicContact CD2-CB 4.16Å; L920-E924 HydrophobicContact CG-CB 4.4Å; T921-E924 WeakPolarHBondContact CB-OE2 3.48Å; T921-E924 WeakPolarHBondContact CG2-OE2 3.13Å; T921-E924 PolarHBondContact N-OE2 3.32Å; T921-E924 PolarHBondContact O-N 3.15Å; T921-E924 WeakPolarHBondContact OG1-CB 3.28Å; T921-E924 VanDerWaalsContact OG1-CD 3.31Å; T921-E924 VanDerWaalsContact OG1-CG 3.28Å; T921-E924 WeakPolarHBondContact OG1-CG 3.26Å; T921-E924 PolarHBondContact OG1-N 3.37Å; T921-E924 PolarHBondContact OG1-OE2 3.29Å; E924-K926 VanDerWaalsContact C-N 3.35Å; E924-K926 PolarHBondContact O-N 2.93Å; E924-K927 PolarHBondContact O-N 3.37Å; E924-F928 WeakPolarHBondContact O-CB 3.21Å; E924-F928 PolarHBondContact O-N 3.24Å; E924-Q987 PolarHBondContact OE1-NE2 2.94Å; E924-I990 HydrophobicContact CB-CD1 4.15Å
925K88.7Confident86.5Confident23 Ų2342.4 Ų42.410%0.121%0.207CC..Hα-helixtrans-64.2-38.3174.6-71.8174.9179.1163.50112.3W890 F917 H918 L920 T921 L922 D923 F928 L929W890-K925 HydrophobicContact CD2-CD 4.08Å; W890-K925 HydrophobicContact CG-CD 4.23Å; W890-K925 HydrophobicContact CH2-CB 3.85Å; W890-K925 HydrophobicContact CZ2-CB 3.62Å; W890-K925 HydrophobicContact CZ2-CD 4.35Å; W890-K925 HydrophobicContact CZ3-CB 4.43Å; F917-K925 HydrophobicContact CE1-CD 4.28Å; F917-K925 HydrophobicContact CE1-CG 4.29Å; F917-K925 HydrophobicContact CE2-CG 4.18Å; F917-K925 HydrophobicContact CZ-CB 4.28Å; F917-K925 HydrophobicContact CZ-CD 4.31Å; F917-K925 HydrophobicContact CZ-CG 3.89Å; F917-K925 WeakPolarHBondContact O-CE 3.39Å; H918-K925 PolarHBondContact O-NZ 3.12Å; L920-K925 HydrophobicContact CB-CG 3.83Å; L920-K925 HydrophobicContact CD1-CG 4.36Å; L920-K925 WeakPolarHBondContact O-CE 3.34Å; L920-K925 PolarHBondContact O-NZ 2.86Å; T921-K925 WeakPolarHBondContact O-CG 3.43Å; T921-K925 PolarHBondContact O-N 3.32Å; L922-K925 PolarHBondContact O-N 3.45Å; D923-K925 VanDerWaalsContact C-N 3.34Å; D923-K925 PolarHBondContact O-N 2.95Å; K925-F928 PolarHBondContact O-N 3.2Å; K925-L929 WeakPolarHBondContact O-CB 3.32Å; K925-L929 PolarHBondContact O-N 3.46Å
926K85.4Confident85.8Confident60 Ų6037.4 Ų37.426%0.26119%0.186SC..Hα-helixtrans-66.9-42.5174.6-75.2-179.5177.7-174.50112.1L922 D923 E924 F928 L929 L930 D936L922-K926 WeakPolarHBondContact O-CG 3.24Å; L922-K926 PolarHBondContact O-N 3.29Å; D923-K926 WeakPolarHBondContact O-CB 3.25Å; D923-K926 PolarHBondContact O-N 3.29Å; E924-K926 VanDerWaalsContact C-N 3.35Å; E924-K926 PolarHBondContact O-N 2.93Å; K926-F928 VanDerWaalsContact C-N 3.32Å; K926-F928 PolarHBondContact O-N 2.83Å; K926-L929 WeakPolarHBondContact O-CB 3.2Å; K926-L929 PolarHBondContact O-N 3.26Å; K926-L930 PolarHBondContact O-N 3.06Å; K926-D936 HydrophobicContact CB-CB 4.36Å
927K86.4Confident85.1Confident75 Ų7539 Ų3933%0.32619%0.192SC..Hα-helixtrans-62.4-39.1173.7-74.3171.6174.8160.90112.2D923 E924 L930 F931 I990D923-K927 WeakPolarHBondContact O-CG 3.38Å; D923-K927 PolarHBondContact O-N 2.95Å; D923-K927 WeakPolarHBondContact OD2-CE 3.41Å; D923-K927 IonicContact OD2-NZ 3.95Å; D923-K927 PolarHBondContact OD2-NZ 2.97Å; E924-K927 PolarHBondContact O-N 3.37Å; K927-L930 WeakPolarHBondContact O-CB 3.47Å; K927-L930 PolarHBondContact O-N 2.95Å; K927-F931 PolarHBondContact O-N 3.44Å; K927-I990 HydrophobicContact CB-CG2 3.78Å; K927-I990 HydrophobicContact CD-CG2 3.95Å
928F87.9Confident84.2Confident2 Ų240.1 Ų40.11%0.00920%0.197CC..Hα-helixtrans-65-41.1172.1180-93.3000111.9F913 F917 E924 K925 K926 L930 F931 L932 I948 L971 L986 I990F913-F928 HydrophobicContact CE2-CE2 4.14Å; F913-F928 AromaticContact CE2-CZ 3.91Å; F913-F928 HydrophobicContact CE2-CZ 3.91Å; F913-F928 HydrophobicContact CZ-CE1 4.08Å; F913-F928 HydrophobicContact CZ-CE2 4.21Å; F913-F928 AromaticContact CZ-CZ 3.59Å; F913-F928 HydrophobicContact CZ-CZ 3.59Å; F917-F928 HydrophobicContact CD2-CD1 4.1Å; F917-F928 HydrophobicContact CD2-CE1 4.35Å; F917-F928 HydrophobicContact CD2-CG 4.41Å; F917-F928 HydrophobicContact CE2-CB 4.33Å; F917-F928 AromaticContact CE2-CD1 3.48Å; F917-F928 HydrophobicContact CE2-CD1 3.48Å; F917-F928 VanDerWaalsContact CE2-CD1 3.48Å; F917-F928 AromaticContact CE2-CE1 3.99Å; F917-F928 HydrophobicContact CE2-CE1 3.99Å; F917-F928 AromaticContact CE2-CG 3.99Å; F917-F928 HydrophobicContact CE2-CG 3.99Å; F917-F928 HydrophobicContact CZ-CD1 4.45Å; E924-F928 WeakPolarHBondContact O-CB 3.21Å; E924-F928 PolarHBondContact O-N 3.24Å; K925-F928 PolarHBondContact O-N 3.2Å; K926-F928 VanDerWaalsContact C-N 3.32Å; K926-F928 PolarHBondContact O-N 2.83Å; F928-L930 VanDerWaalsContact C-N 3.29Å; F928-L930 PolarHBondContact O-N 3.29Å; F928-F931 HydrophobicContact CD2-CD1 4.42Å; F928-F931 HydrophobicContact CE2-CD1 4.28Å; F928-F931 WeakPolarHBondContact O-CB 3.17Å; F928-F931 PolarHBondContact O-N 2.98Å; F928-L932 HydrophobicContact CE1-CB 4.34Å; F928-L932 HydrophobicContact CE1-CD2 4.16Å; F928-L932 WeakPolarHBondContact O-CB 3.44Å; F928-L932 PolarHBondContact O-N 2.66Å; F928-I948 HydrophobicContact CE1-CD1 3.76Å; F928-I948 HydrophobicContact CZ-CD1 4.08Å; F928-L971 HydrophobicContact CZ-CD1 4.45Å; F928-L971 HydrophobicContact CZ-CD2 4.16Å; F928-L986 HydrophobicContact CD2-CD1 3.48Å; F928-L986 VanDerWaalsContact CD2-CD1 3.48Å; F928-L986 HydrophobicContact CE2-CD1 3.49Å; F928-L986 VanDerWaalsContact CE2-CD1 3.49Å; F928-L986 HydrophobicContact CG-CD1 4.45Å; F928-L986 HydrophobicContact CZ-CD1 4.46Å; F928-I990 HydrophobicContact CB-CG1 4.08Å
929L85.3Confident83.4Confident1 Ų137.5 Ų37.51%0.00519%0.185CC..Hα-helixtrans-63.2-38.5176.2-170.564.7000111.6W890 F893 K925 K926 L932 T933 S935 L938W890-L929 HydrophobicContact CH2-CD2 4.45Å; F893-L929 HydrophobicContact CE2-CD1 4.28Å; F893-L929 HydrophobicContact CZ-CD1 4.1Å; K925-L929 WeakPolarHBondContact O-CB 3.32Å; K925-L929 PolarHBondContact O-N 3.46Å; K926-L929 WeakPolarHBondContact O-CB 3.2Å; K926-L929 PolarHBondContact O-N 3.26Å; L929-L932 PolarHBondContact O-N 3.16Å; L929-T933 HydrophobicContact CD1-CG2 3.82Å; L929-T933 WeakPolarHBondContact O-CB 3.41Å; L929-T933 PolarHBondContact O-N 3.19Å; L929-T933 PolarHBondContact O-OG1 3.34Å; L929-S935 CarbonylContact C-O 3.54Å; L929-S935 WeakPolarHBondContact CG-O 3.43Å; L929-S935 VanDerWaalsContact O-O 3.11Å; L929-L938 HydrophobicContact CD1-CD2 3.82Å; L929-L938 HydrophobicContact CD2-CD2 3.85Å; L929-L938 HydrophobicContact CD2-CG 3.93Å; L929-L938 HydrophobicContact CG-CD2 4.45Å
930L83.3Confident82.4Confident11 Ų1132 Ų326%0.05816%0.163CC..Hα-helixtrans-61.1-46.7173.1-177.464.1000111H705 K926 K927 F928 L932 G934 S935 D936 N993H705-L930 HydrophobicContact CB-CD1 4.32Å; K926-L930 PolarHBondContact O-N 3.06Å; K927-L930 WeakPolarHBondContact O-CB 3.47Å; K927-L930 PolarHBondContact O-N 2.95Å; F928-L930 VanDerWaalsContact C-N 3.29Å; F928-L930 PolarHBondContact O-N 3.29Å; L930-L932 VanDerWaalsContact C-N 3.34Å; L930-L932 PolarHBondContact O-N 3.05Å; L930-G934 VanDerWaalsContact O-CA 3.23Å; L930-G934 WeakPolarHBondContact O-CA 3.33Å; L930-G934 PolarHBondContact O-N 3.47Å; L930-S935 VanDerWaalsContact CA-O 3.28Å; L930-S935 WeakPolarHBondContact CA-O 3.45Å; L930-S935 PolarHBondContact N-O 3.37Å; L930-S935 VanDerWaalsContact N-O 3.11Å; L930-D936 HydrophobicContact CB-CB 4.5Å; L930-N993 HydrophobicContact CB-CB 4.5Å; L930-N993 HydrophobicContact CD2-CB 4.14Å; L930-N993 HydrophobicContact CG-CB 4.33Å
931F83.8Confident81.3Confident19 Ų1936.2 Ų36.28%0.08318%0.18CC..Hα-helixtrans-57.7-44.2172.4170.4-99.9000112K927 F928 S964 T966 L971 A989 N993K927-F931 PolarHBondContact O-N 3.44Å; F928-F931 HydrophobicContact CD2-CD1 4.42Å; F928-F931 HydrophobicContact CE2-CD1 4.28Å; F928-F931 WeakPolarHBondContact O-CB 3.17Å; F928-F931 PolarHBondContact O-N 2.98Å; F931-S964 WeakPolarHBondContact O-CB 3.49Å; F931-S964 PolarHBondContact O-OG 3.37Å; F931-T966 VanDerWaalsContact O-CG2 3.26Å; F931-T966 WeakPolarHBondContact O-CG2 3.37Å; F931-L971 HydrophobicContact CE1-CD1 3.8Å; F931-A989 HydrophobicContact CD1-CB 3.92Å; F931-A989 HydrophobicContact CD2-CB 4.49Å; F931-A989 WeakPolarHBondContact CD2-O 3.42Å; F931-A989 HydrophobicContact CE1-CB 3.74Å; F931-A989 HydrophobicContact CE2-CB 4.34Å; F931-A989 HydrophobicContact CG-CB 4.29Å; F931-A989 WeakPolarHBondContact CG-O 3.17Å; F931-A989 HydrophobicContact CZ-CB 3.96Å; F931-N993 HydrophobicContact CB-CB 4.27Å
932L82.8Confident80Confident0 Ų035 Ų350%018%0.183CC..Hα-helixtrans-75.3-34.3-175.5-17966.8000114.1F893 F928 L929 L930 I948 T966 L971F893-L932 HydrophobicContact CZ-CD2 4.01Å; F928-L932 HydrophobicContact CE1-CB 4.34Å; F928-L932 HydrophobicContact CE1-CD2 4.16Å; F928-L932 WeakPolarHBondContact O-CB 3.44Å; F928-L932 PolarHBondContact O-N 2.66Å; L929-L932 PolarHBondContact O-N 3.16Å; L930-L932 VanDerWaalsContact C-N 3.34Å; L930-L932 PolarHBondContact O-N 3.05Å; L932-I948 HydrophobicContact CD1-CG2 4.35Å; L932-I948 HydrophobicContact CD2-CB 4.41Å; L932-I948 HydrophobicContact CD2-CD1 4.35Å; L932-I948 HydrophobicContact CD2-CG1 3.75Å; L932-I948 HydrophobicContact CD2-CG2 4.45Å; L932-T966 VanDerWaalsContact O-CA 3.28Å; L932-T966 WeakPolarHBondContact O-CA 3.27Å; L932-L971 HydrophobicContact CD1-CB 4.16Å
933T77.1Confident79Confident21 Ų2132 Ų3213%0.12917%0.167CC..Hα-helixtrans-127.8-9.1-165.4700000114.4L929 S935L929-T933 HydrophobicContact CD1-CG2 3.82Å; L929-T933 WeakPolarHBondContact O-CB 3.41Å; L929-T933 PolarHBondContact O-N 3.19Å; L929-T933 PolarHBondContact O-OG1 3.34Å; T933-S935 PolarHBondContact O-N 2.88Å; T933-S935 PolarHBondContact OG1-N 3.18Å; T933-S935 PolarHBondContact OG1-O 2.84Å
934G75.6Confident78.2Confident3 Ų331.7 Ų31.73%0.03116%0.163CC..SBendtrans72.512.4-169.400000113.7S701 E702 L930S701-G934 CarbonylContact C-O 3.55Å; S701-G934 WeakPolarHBondContact CB-O 3.33Å; E702-G934 WeakPolarHBondContact CA-O 3.24Å; E702-G934 PolarHBondContact N-O 3.47Å; L930-G934 VanDerWaalsContact O-CA 3.23Å; L930-G934 WeakPolarHBondContact O-CA 3.33Å; L930-G934 PolarHBondContact O-N 3.47Å
935S78.4Confident77.1Confident7 Ų733.3 Ų33.35%0.04917%0.168CC..  trans-139.3141.2177.3173.60000110.3L929 L930 T933 R937L929-S935 CarbonylContact C-O 3.54Å; L929-S935 WeakPolarHBondContact CG-O 3.43Å; L929-S935 VanDerWaalsContact O-O 3.11Å; L930-S935 VanDerWaalsContact CA-O 3.28Å; L930-S935 WeakPolarHBondContact CA-O 3.45Å; L930-S935 PolarHBondContact N-O 3.37Å; L930-S935 VanDerWaalsContact N-O 3.11Å; T933-S935 PolarHBondContact O-N 2.88Å; T933-S935 PolarHBondContact OG1-N 3.18Å; T933-S935 PolarHBondContact OG1-O 2.84Å; S935-R937 PolarHBondContact O-N 2.77Å; S935-R937 PolarHBondContact OG-N 2.79Å; S935-R937 VanDerWaalsContact OG-N 3.08Å; S935-R937 PolarHBondContact OG-O 3.44Å
936D77.8Confident76.2Confident29 Ų2933.3 Ų33.316%0.15517%0.168CC..SBendtrans-84.34.4172.567.3-40.1000112.9H705 K926 L930H705-D936 IonicContact CE1-OD1 2.6Å; H705-D936 IonicContact ND1-OD1 2.73Å; H705-D936 PolarHBondContact ND1-OD1 3.12Å; K926-D936 HydrophobicContact CB-CB 4.36Å; L930-D936 HydrophobicContact CB-CB 4.5Å
937R77.7Confident75.8Confident37 Ų3730.6 Ų30.614%0.1416%0.157CC..SBendtrans-134.1145.8-173.2-67.7167.8169.2-82.80.9111.7V757 N759 T883 S935V757-R937 HydrophobicContact CG2-CB 3.97Å; N759-R937 PolarHBondContact OD1-NH2 3.06Å; T883-R937 WeakPolarHBondContact O-CD 3.46Å; T883-R937 PolarHBondContact O-NH1 3.43Å; S935-R937 PolarHBondContact O-N 2.77Å; S935-R937 PolarHBondContact OG-N 2.79Å; S935-R937 VanDerWaalsContact OG-N 3.08Å; S935-R937 PolarHBondContact OG-O 3.44Å
938L74.7Confident75.9Confident22 Ų2227 Ų2712%0.11514%0.141CC..BIsolated β-bridgetrans-87.3150.8173.7-68.2180000111.7G884 N885 C888 F893 L929G884-L938 WeakPolarHBondContact CA-O 3.36Å; N885-L938 PolarHBondContact N-O 3Å; N885-L938 VanDerWaalsContact N-O 3.12Å; C888-L938 HydrophobicContact CB-CD1 3.95Å; C888-L938 WeakPolarHBondContact SG-CD1 3.42Å; C888-L938 VanDerWaalsContact SG-CG 3.57Å; F893-L938 HydrophobicContact CD2-CD1 4.21Å; F893-L938 HydrophobicContact CD2-CD2 4.38Å; F893-L938 HydrophobicContact CE2-CD2 4.05Å; L929-L938 HydrophobicContact CD1-CD2 3.82Å; L929-L938 HydrophobicContact CD2-CD2 3.85Å; L929-L938 HydrophobicContact CD2-CG 3.93Å; L929-L938 HydrophobicContact CG-CD2 4.45Å
939H75.5Confident75.8Confident19 Ų1930.6 Ų30.69%0.08816%0.155CC..  trans-68.8175.1173.2-71.4-71000112.2V755 V757 N885 Q944V755-H939 PolarHBondContact O-CE1 2.95Å; V755-H939 PolarHBondContact O-ND1 3Å; V757-H939 WeakPolarHBondContact CG1-ND1 3.15Å; N885-H939 PolarHBondContact ND2-O 2.84Å; H939-Q944 PolarHBondContact CD2-OE1 2.74Å; H939-Q944 VanDerWaalsContact CD2-OE1 3.3Å; H939-Q944 PolarHBondContact NE2-NE2 2.99Å; H939-Q944 PolarHBondContact NE2-OE1 3.44Å
940V71.8Confident76Confident15 Ų1530.5 Ų30.59%0.09116%0.155CC..  trans-68.3131.5167.2-175.10000108.8L625 P626 I629 T880 G942 L943L625-V940 HydrophobicContact CD2-CG1 4.01Å; L625-V940 HydrophobicContact CD2-CG2 3.98Å; L625-V940 HydrophobicContact CG-CG1 4.22Å; L625-V940 HydrophobicContact CG-CG2 4.46Å; P626-V940 HydrophobicContact CG-CG1 4.13Å; I629-V940 HydrophobicContact CD1-CB 4.37Å; I629-V940 HydrophobicContact CD1-CG2 3.91Å; T880-V940 HydrophobicContact CG2-CG2 3.97Å; V940-G942 PolarHBondContact O-N 3.15Å; V940-L943 HydrophobicContact CB-CD1 3.76Å; V940-L943 HydrophobicContact CB-CG 4.36Å; V940-L943 HydrophobicContact CG2-CD1 4.32Å; V940-L943 WeakPolarHBondContact O-CB 3.41Å; V940-L943 WeakPolarHBondContact O-CG 3.4Å; V940-L943 PolarHBondContact O-N 3.42Å
941K68.4Low76.3Confident109 Ų10932.6 Ų32.647%0.47416%0.162SC..THydrogen-bonded Turntrans-46.3129.9178.7-69.1-174-178.1-177.60111.6P626 E946P626-K941 VanDerWaalsContact CG-O 3.3Å; P626-K941 WeakPolarHBondContact CG-O 3.42Å; K941-E946 VanDerWaalsContact CA-OE1 3.28Å; K941-E946 WeakPolarHBondContact CA-OE1 3.32Å; K941-E946 PolarHBondContact N-OE1 3.43Å
942G63Low76.4Confident53 Ų5332.3 Ų32.355%0.54616%0.162SC..THydrogen-bonded Turntrans89.63177.500000116.1K630 V940K630-G942 PolarHBondContact NZ-O 3.25Å; V940-G942 PolarHBondContact O-N 3.15Å
943L63.3Low76.2Confident34 Ų3433 Ų3318%0.17817%0.167CC..SBendtrans-92.2-40.9173.3-71.3178.1000114.1P626 I629 K630 V755 V940P626-L943 HydrophobicContact CB-CD2 4.11Å; P626-L943 HydrophobicContact CB-CG 4.36Å; P626-L943 WeakPolarHBondContact O-CD2 2.98Å; I629-L943 HydrophobicContact CB-CD1 4.1Å; I629-L943 HydrophobicContact CB-CD2 4.02Å; I629-L943 HydrophobicContact CD1-CD1 3.65Å; I629-L943 HydrophobicContact CG1-CD1 4.47Å; I629-L943 HydrophobicContact CG2-CD1 3.7Å; I629-L943 HydrophobicContact CG2-CD2 3.92Å; I629-L943 HydrophobicContact CG2-CG 4.49Å; K630-L943 HydrophobicContact CG-CD2 4.01Å; V755-L943 HydrophobicContact CG1-CD1 4.1Å; V940-L943 HydrophobicContact CB-CD1 3.76Å; V940-L943 HydrophobicContact CB-CG 4.36Å; V940-L943 HydrophobicContact CG2-CD1 4.32Å; V940-L943 WeakPolarHBondContact O-CB 3.41Å; V940-L943 WeakPolarHBondContact O-CG 3.4Å; V940-L943 PolarHBondContact O-N 3.42Å
944Q67.5Low76.1Confident84 Ų8440.1 Ų40.139%0.39320%0.198SC..SBendtrans-139.1165.8179.1-66.6-174.519.300109.5H939 E946H939-Q944 PolarHBondContact CD2-OE1 2.74Å; H939-Q944 VanDerWaalsContact CD2-OE1 3.3Å; H939-Q944 PolarHBondContact NE2-NE2 2.99Å; H939-Q944 PolarHBondContact NE2-OE1 3.44Å; Q944-E946 PolarHBondContact O-N 3.03Å
945Y65Low76.2Confident76 Ų7645.8 Ų45.830%0.29823%0.232SC..  trans-68.2119175.8171.6-101.9000110.1N896 S897 L898 G947 I948N896-Y945 WeakPolarHBondContact O-CE2 3.33Å; N896-Y945 PolarHBondContact O-OH 3.45Å; S897-Y945 VanDerWaalsContact CA-OH 3.26Å; S897-Y945 WeakPolarHBondContact CA-OH 3.37Å; L898-Y945 WeakPolarHBondContact CB-OH 3.48Å; L898-Y945 HydrophobicContact CD1-CD2 4.33Å; L898-Y945 HydrophobicContact CD1-CE2 3.55Å; L898-Y945 HydrophobicContact CG-CE2 3.75Å; L898-Y945 VanDerWaalsContact CG-OH 3.25Å; L898-Y945 WeakPolarHBondContact CG-OH 3.36Å; L898-Y945 PolarHBondContact N-OH 2.82Å; Y945-G947 VanDerWaalsContact CE1-C 3.41Å; Y945-G947 WeakPolarHBondContact CE1-O 3.5Å; Y945-I948 PolarHBondContact OH-O 2.89Å
946E68.8Low76.4Confident23 Ų2346.6 Ų46.611%0.10724%0.236CC..  trans-104.778.4-178.8-70.3177.4-175.200110.1N896 K941 Q944N896-E946 WeakPolarHBondContact CB-O 3.48Å; N896-E946 PolarHBondContact ND2-O 3.16Å; K941-E946 VanDerWaalsContact CA-OE1 3.28Å; K941-E946 WeakPolarHBondContact CA-OE1 3.32Å; K941-E946 PolarHBondContact N-OE1 3.43Å; Q944-E946 PolarHBondContact O-N 3.03Å
947G78.2Confident76.7Confident2 Ų249.1 Ų49.12%0.02125%0.253CS..SBendtrans-174.7178.2176.100000111.2Y945Y945-G947 VanDerWaalsContact CE1-C 3.41Å; Y945-G947 WeakPolarHBondContact CE1-O 3.5Å
948I87.4Confident77.1Confident0 Ų050.8 Ų50.80%026%0.262CS..  trans-92.1137.7171.5-49.2-174.4000107.8F893 S897 L898 F913 W914 F928 L932 Y945 F950 L971F893-I948 HydrophobicContact CD1-CG1 4.47Å; F893-I948 HydrophobicContact CE1-CD1 4Å; F893-I948 HydrophobicContact CE1-CG1 3.53Å; F893-I948 HydrophobicContact CZ-CG1 3.88Å; S897-I948 CarbonylContact C-O 3.55Å; S897-I948 VanDerWaalsContact CA-O 3.24Å; S897-I948 WeakPolarHBondContact CA-O 3.48Å; S897-I948 VanDerWaalsContact CB-O 3.28Å; S897-I948 WeakPolarHBondContact CB-O 3.37Å; S897-I948 PolarHBondContact OG-N 3.01Å; L898-I948 PolarHBondContact N-O 2.89Å; F913-I948 HydrophobicContact CE1-CD1 3.58Å; F913-I948 HydrophobicContact CZ-CD1 3.57Å; W914-I948 HydrophobicContact CH2-CD1 3.74Å; W914-I948 HydrophobicContact CH2-CG1 4.12Å; W914-I948 HydrophobicContact CZ2-CD1 4.11Å; W914-I948 HydrophobicContact CZ2-CG1 4.42Å; W914-I948 HydrophobicContact CZ3-CD1 4.48Å; F928-I948 HydrophobicContact CE1-CD1 3.76Å; F928-I948 HydrophobicContact CZ-CD1 4.08Å; L932-I948 HydrophobicContact CD1-CG2 4.35Å; L932-I948 HydrophobicContact CD2-CB 4.41Å; L932-I948 HydrophobicContact CD2-CD1 4.35Å; L932-I948 HydrophobicContact CD2-CG1 3.75Å; L932-I948 HydrophobicContact CD2-CG2 4.45Å; Y945-I948 PolarHBondContact OH-O 2.89Å; I948-F950 HydrophobicContact CB-CD2 4.19Å; I948-F950 HydrophobicContact CB-CE2 3.73Å; I948-F950 HydrophobicContact CB-CZ 3.93Å; I948-F950 HydrophobicContact CD1-CE1 4.44Å; I948-F950 HydrophobicContact CD1-CE2 4.42Å; I948-F950 HydrophobicContact CD1-CZ 3.84Å; I948-F950 HydrophobicContact CG1-CZ 4.41Å; I948-F950 HydrophobicContact CG2-CD1 4.11Å; I948-F950 HydrophobicContact CG2-CD2 4.05Å; I948-F950 HydrophobicContact CG2-CE1 3.94Å; I948-F950 HydrophobicContact CG2-CE2 3.88Å; I948-F950 HydrophobicContact CG2-CG 4.18Å; I948-F950 HydrophobicContact CG2-CZ 3.82Å; I948-L971 HydrophobicContact CG2-CB 3.58Å; I948-L971 HydrophobicContact CG2-CD2 4.25Å
949R87.3Confident77.5Confident77 Ų7756.2 Ų56.229%0.29129%0.291SS..EExtended strand (participates in β ladder)trans-101.1102.5163.6-168.2-177.9-49.6172.3-1.7108.9L898 E900 S969 I970 L971L898-R949 HydrophobicContact CB-CG 4.18Å; L898-R949 CarbonylContact O-C 3.55Å; L898-R949 WeakPolarHBondContact O-CA 3.45Å; E900-R949 HydrophobicContact CG-CG 3.96Å; E900-R949 WeakPolarHBondContact OE1-CD 2.82Å; E900-R949 IonicContact OE1-NE 2.65Å; E900-R949 IonicContact OE1-NH1 3.17Å; E900-R949 PolarHBondContact OE1-NH1 2.85Å; R949-S969 PolarHBondContact N-O 2.88Å; R949-I970 HydrophobicContact CB-CG1 3.97Å; R949-I970 HydrophobicContact CG-CG1 4.32Å; R949-I970 CarbonylContact O-C 3.56Å; R949-I970 VanDerWaalsContact O-CA 3.27Å; R949-I970 WeakPolarHBondContact O-CA 2.85Å; R949-L971 PolarHBondContact O-N 3.41Å
950F89.5Confident78Confident0 Ų057.6 Ų57.60%030%0.299CS..EExtended strand (participates in β ladder)trans-77.1128.2-179.9-66.9-85.9000110.2L898 Y899 E900 Y903 I910 F913 W914 I948 L971 L973L898-F950 PolarHBondContact O-N 3.49Å; Y899-F950 HydrophobicContact CD1-CB 4.1Å; Y899-F950 AromaticContact CD1-CD2 3.68Å; Y899-F950 HydrophobicContact CD1-CD2 3.68Å; Y899-F950 HydrophobicContact CD1-CE2 4.49Å; Y899-F950 HydrophobicContact CD1-CG 4.2Å; Y899-F950 AromaticContact CE1-CD2 3.52Å; Y899-F950 HydrophobicContact CE1-CD2 3.52Å; Y899-F950 AromaticContact CE1-CE2 3.9Å; Y899-F950 HydrophobicContact CE1-CE2 3.9Å; Y899-F950 HydrophobicContact CE1-CG 4.36Å; E900-F950 PolarHBondContact N-O 3.3Å; Y903-F950 HydrophobicContact CD2-CB 3.9Å; I910-F950 HydrophobicContact CD1-CB 3.89Å; I910-F950 HydrophobicContact CD1-CD1 3.53Å; I910-F950 HydrophobicContact CD1-CD2 4.04Å; I910-F950 HydrophobicContact CD1-CE1 3.99Å; I910-F950 HydrophobicContact CD1-CE2 4.44Å; I910-F950 HydrophobicContact CD1-CG 3.54Å; I910-F950 HydrophobicContact CD1-CZ 4.42Å; F913-F950 AromaticContact CD1-CE1 3.71Å; F913-F950 HydrophobicContact CD1-CE1 3.71Å; F913-F950 AromaticContact CD1-CZ 3.52Å; F913-F950 HydrophobicContact CD1-CZ 3.52Å; F913-F950 HydrophobicContact CD2-CE1 4.25Å; F913-F950 AromaticContact CE1-CE1 3.89Å; F913-F950 HydrophobicContact CE1-CE1 3.89Å; F913-F950 AromaticContact CE1-CZ 3.58Å; F913-F950 HydrophobicContact CE1-CZ 3.58Å; F913-F950 HydrophobicContact CE2-CE1 4.39Å; F913-F950 AromaticContact CG-CE1 3.92Å; F913-F950 HydrophobicContact CG-CE1 3.92Å; F913-F950 HydrophobicContact CG-CZ 4.21Å; F913-F950 HydrophobicContact CZ-CE1 4.23Å; F913-F950 HydrophobicContact CZ-CZ 4.26Å; W914-F950 AromaticContact CE2-CE2 4Å; W914-F950 AromaticContact CE2-CZ 3.91Å; W914-F950 AromaticContact CZ2-CE2 3.74Å; W914-F950 HydrophobicContact CZ2-CE2 3.74Å; W914-F950 AromaticContact CZ2-CZ 3.8Å; W914-F950 HydrophobicContact CZ2-CZ 3.8Å; W914-F950 AromaticContact NE1-CE2 3.84Å; W914-F950 AromaticContact NE1-CZ 3.9Å; I948-F950 HydrophobicContact CB-CD2 4.19Å; I948-F950 HydrophobicContact CB-CE2 3.73Å; I948-F950 HydrophobicContact CB-CZ 3.93Å; I948-F950 HydrophobicContact CD1-CE1 4.44Å; I948-F950 HydrophobicContact CD1-CE2 4.42Å; I948-F950 HydrophobicContact CD1-CZ 3.84Å; I948-F950 HydrophobicContact CG1-CZ 4.41Å; I948-F950 HydrophobicContact CG2-CD1 4.11Å; I948-F950 HydrophobicContact CG2-CD2 4.05Å; I948-F950 HydrophobicContact CG2-CE1 3.94Å; I948-F950 HydrophobicContact CG2-CE2 3.88Å; I948-F950 HydrophobicContact CG2-CG 4.18Å; I948-F950 HydrophobicContact CG2-CZ 3.82Å; F950-L971 HydrophobicContact CD1-CD2 4.09Å; F950-L971 HydrophobicContact CE1-CD2 3.8Å; F950-L973 HydrophobicContact CD1-CB 4.45Å; F950-L973 HydrophobicContact CD1-CD2 3.92Å; F950-L973 HydrophobicContact CE1-CD2 4.03Å
951R88.8Confident78.7Confident55 Ų5559.7 Ų59.721%0.20831%0.31CS..EExtended strand (participates in β ladder)trans-125.2133.4173.4-172.9171.367.9-170.50.2108.5E900 P953 I970 L971 D972 L973E900-R951 HydrophobicContact CB-CB 4.43Å; E900-R951 HydrophobicContact CB-CG 4.39Å; E900-R951 WeakPolarHBondContact OE2-CD 3.42Å; R951-P953 WeakPolarHBondContact O-CD 3.44Å; R951-I970 HydrophobicContact CB-CG2 3.86Å; R951-L971 PolarHBondContact N-O 3.21Å; R951-D972 WeakPolarHBondContact CB-OD1 3.4Å; R951-D972 IonicContact CZ-OD1 3.05Å; R951-D972 VanDerWaalsContact CZ-OD1 3.27Å; R951-D972 IonicContact CZ-OD2 2.73Å; R951-D972 IonicContact NE-OD1 3.48Å; R951-D972 PolarHBondContact NE-OD1 2.78Å; R951-D972 IonicContact NE-OD2 3.27Å; R951-D972 VanDerWaalsContact NH2-CG 3.27Å; R951-D972 IonicContact NH2-OD1 2.67Å; R951-D972 PolarHBondContact NH2-OD1 3.18Å; R951-D972 IonicContact NH2-OD2 3.86Å; R951-D972 PolarHBondContact NH2-OD2 2.92Å; R951-D972 WeakPolarHBondContact O-CA 3.15Å; R951-L973 PolarHBondContact O-N 2.88Å; R951-L973 VanDerWaalsContact O-N 3.07Å
952C85.4Confident79.6Confident12 Ų1255.1 Ų55.18%0.08129%0.291CS..  trans-89.7107.9171.9-172.10000108.3Y903 K975Y903-C952 HydrophobicContact CD2-CB 3.83Å; Y903-C952 HydrophobicContact CE1-CB 4.41Å; Y903-C952 HydrophobicContact CE2-CB 3.61Å; Y903-C952 HydrophobicContact CG-CB 4.34Å; C952-K975 VanDerWaalsContact SG-CE 3.55Å
953P79.6Confident80.6Confident16 Ų1658.4 Ų58.410%0.10429%0.287CS..  trans-73.3138.3175.429.1-31.4000110.1R951 T955 L956 D972 L973R951-P953 WeakPolarHBondContact O-CD 3.44Å; P953-T955 VanDerWaalsContact C-N 3.27Å; P953-T955 PolarHBondContact O-N 2.7Å; P953-L956 HydrophobicContact CB-CB 4.43Å; P953-L956 HydrophobicContact CB-CD1 4.16Å; P953-L956 HydrophobicContact CB-CG 3.99Å; P953-L956 HydrophobicContact CG-CB 3.83Å; P953-L956 HydrophobicContact CG-CD1 3.48Å; P953-L956 VanDerWaalsContact CG-CD1 3.48Å; P953-L956 HydrophobicContact CG-CG 3.64Å; P953-D972 HydrophobicContact CG-CB 4.09Å; P953-L973 WeakPolarHBondContact CD-O 3.47Å
954Q75Confident81.5Confident169 Ų16958.4 Ų58.479%0.7929%0.29SS*.SBendtrans-78.2-14178.9-72.7176.8-23.100113
955T77.2Confident81.9Confident122 Ų12257.4 Ų57.475%0.74829%0.287SS*.SBendtrans-102.6-9.6-172.154.90000113.9P953P953-T955 VanDerWaalsContact C-N 3.27Å; P953-T955 PolarHBondContact O-N 2.7Å
956L82Confident82.1Confident24 Ų2454.5 Ų54.513%0.12628%0.277CS..  trans-101.1140.9-179.1-56.7-175.9000110.8P953 D960 R963 P974P953-L956 HydrophobicContact CB-CB 4.43Å; P953-L956 HydrophobicContact CB-CD1 4.16Å; P953-L956 HydrophobicContact CB-CG 3.99Å; P953-L956 HydrophobicContact CG-CB 3.83Å; P953-L956 HydrophobicContact CG-CD1 3.48Å; P953-L956 VanDerWaalsContact CG-CD1 3.48Å; P953-L956 HydrophobicContact CG-CG 3.64Å; L956-D960 WeakPolarHBondContact CA-OD2 3.25Å; L956-D960 HydrophobicContact CB-CB 3.98Å; L956-D960 HydrophobicContact CD2-CB 4.19Å; L956-D960 HydrophobicContact CG-CB 4.47Å; L956-R963 HydrophobicContact CD1-CG 4.46Å; L956-P974 HydrophobicContact CB-CB 4.35Å; L956-P974 HydrophobicContact CB-CG 3.96Å; L956-P974 HydrophobicContact CD1-CG 3.99Å
957T84.7Confident81.8Confident83 Ų8355.4 Ų55.451%0.50929%0.286SS..  trans-100.1176.717769.30000111.1D959 D960 P974T957-D959 PolarHBondContact O-N 2.87Å; T957-D960 PolarHBondContact N-OD2 2.89Å; T957-D960 WeakPolarHBondContact O-CB 3.26Å; T957-D960 PolarHBondContact O-N 3.4Å; T957-D960 VanDerWaalsContact O-N 3.16Å; T957-D960 PolarHBondContact OG1-OD2 2.97Å; T957-P974 VanDerWaalsContact O-CB 3.28Å; T957-P974 WeakPolarHBondContact O-CB 3.46Å
958E86.4Confident81.3Confident72 Ų7260.4 Ų60.434%0.33631%0.308SS..THydrogen-bonded Turntrans-63.9-23.8179.7-174.6164-16900113.7D960 Y976 S977 R981E958-D960 VanDerWaalsContact C-N 3.32Å; E958-Y976 HydrophobicContact CG-CD1 4.11Å; E958-Y976 WeakPolarHBondContact O-CD1 3.48Å; E958-Y976 WeakPolarHBondContact O-CE1 3.44Å; E958-S977 WeakPolarHBondContact OE1-CB 3.2Å; E958-S977 PolarHBondContact OE1-N 2.66Å; E958-S977 PolarHBondContact OE1-OG 2.82Å; E958-R981 HydrophobicContact CG-CG 4.48Å; E958-R981 PolarHBondContact O-NE 2.96Å
959D83.6Confident80.9Confident135 Ų13561.4 Ų61.472%0.72232%0.315SS*.THydrogen-bonded Turntrans-81.3-14.2177.6-61.8-41000112.6T957 R981T957-D959 PolarHBondContact O-N 2.87Å; D959-R981 PolarHBondContact O-NH2 3.22Å
960D86Confident80.8Confident49 Ų4958.1 Ų58.126%0.26230%0.303SS..SBendtrans-75.6152.2177.8-72.2-51.7000111.8L956 T957 E958 P974 Y976 R981L956-D960 WeakPolarHBondContact CA-OD2 3.25Å; L956-D960 HydrophobicContact CB-CB 3.98Å; L956-D960 HydrophobicContact CD2-CB 4.19Å; L956-D960 HydrophobicContact CG-CB 4.47Å; T957-D960 PolarHBondContact N-OD2 2.89Å; T957-D960 WeakPolarHBondContact O-CB 3.26Å; T957-D960 PolarHBondContact O-N 3.4Å; T957-D960 VanDerWaalsContact O-N 3.16Å; T957-D960 PolarHBondContact OG1-OD2 2.97Å; E958-D960 VanDerWaalsContact C-N 3.32Å; D960-P974 HydrophobicContact CB-CG 4.21Å; D960-Y976 WeakPolarHBondContact O-CE1 3.28Å; D960-Y976 PolarHBondContact O-OH 3.44Å; D960-R981 PolarHBondContact O-NH2 3.46Å
961N86Confident80.7Confident59 Ų5958.2 Ų58.232%0.31630%0.304SS..PPolyproline II helixtrans-89.3153.3174-64.5-45000110.8R981 V988N961-R981 PolarHBondContact OD1-NH2 3.15Å; N961-V988 HydrophobicContact CB-CG1 4.14Å
962P86.4Confident80.7Confident12 Ų1256.3 Ų56.38%0.07830%0.298CS..PPolyproline II helixtrans-66.7148.3-179.730.5-37.2000110.7L971 D972 L973 Y976 A989P962-L971 HydrophobicContact CB-CD1 4.13Å; P962-D972 VanDerWaalsContact CA-O 3.28Å; P962-D972 WeakPolarHBondContact CA-O 3.41Å; P962-L973 HydrophobicContact CB-CD1 4.11Å; P962-Y976 VanDerWaalsContact CD-OH 3.31Å; P962-Y976 WeakPolarHBondContact CD-OH 3.46Å; P962-A989 HydrophobicContact CG-CB 3.95Å
963R84.9Confident81Confident123 Ų12355.9 Ų55.946%0.46429%0.294SS..EExtended strand (participates in β ladder)trans-120.2144.2179.3-60.5-179.9-177.4-178.3-1.6110.2L956 D972L956-R963 HydrophobicContact CD1-CG 4.46Å; R963-D972 HydrophobicContact CB-CB 4.13Å; R963-D972 PolarHBondContact N-O 2.99Å; R963-D972 WeakPolarHBondContact O-CB 3.31Å; R963-D972 PolarHBondContact O-N 2.96Å
964S81.7Confident81.5Confident34 Ų3455.1 Ų55.124%0.23829%0.29CS..EExtended strand (participates in β ladder)trans-110.1130.4178.553.30000111.3F931 T966 I970F931-S964 WeakPolarHBondContact O-CB 3.49Å; F931-S964 PolarHBondContact O-OG 3.37Å; S964-T966 PolarHBondContact O-N 2.91Å; S964-I970 WeakPolarHBondContact CA-O 3.28Å
965L75.9Confident82.2Confident62 Ų6251.6 Ų51.633%0.32527%0.272SS..EExtended strand (participates in β ladder)trans-94.586.9160.6-73.173.7000107.3C967 H968 S969 I970 D972L965-C967 PolarHBondContact O-N 3.43Å; L965-C967 VanDerWaalsContact O-N 3.09Å; L965-H968 PolarHBondContact O-N 3.24Å; L965-S969 PolarHBondContact O-N 3.09Å; L965-I970 HydrophobicContact CB-CB 4.18Å; L965-I970 PolarHBondContact N-O 3.06Å; L965-I970 PolarHBondContact O-N 2.72Å; L965-D972 VanDerWaalsContact CD1-OD2 3.31Å; L965-D972 WeakPolarHBondContact CD1-OD2 3.46Å
966T69.9Low82.8Confident15 Ų1546 Ų469%0.09224%0.237CC..G310 helixtrans-56.4-31.7-167.256.40000114.4F931 L932 S964 H968 F996F931-T966 VanDerWaalsContact O-CG2 3.26Å; F931-T966 WeakPolarHBondContact O-CG2 3.37Å; L932-T966 VanDerWaalsContact O-CA 3.28Å; L932-T966 WeakPolarHBondContact O-CA 3.27Å; S964-T966 PolarHBondContact O-N 2.91Å; T966-H968 PolarHBondContact O-N 3Å; T966-F996 HydrophobicContact CG2-CE1 3.96Å; T966-F996 WeakPolarHBondContact OG1-CE1 3.21Å
967C62.4Low83.1Confident43 Ų4348.9 Ų48.929%0.29126%0.259SS..G310 helixtrans-68.4-18.9-179.1-52.10000113.9A696 G698 L965A696-C967 WeakPolarHBondContact CA-SG 3.33Å; A696-C967 WeakPolarHBondContact CB-SG 3.3Å; G698-C967 VanDerWaalsContact CA-SG 3.58Å; G698-C967 PolarHBondContact N-SG 2.92Å; L965-C967 PolarHBondContact O-N 3.43Å; L965-C967 VanDerWaalsContact O-N 3.09Å
968H66.8Low83.5Confident107 Ų10748 Ų4850%0.49525%0.254SS..G310 helixtrans-124.63.1-172.8-59.9101000112.5L965 T966 I970L965-H968 PolarHBondContact O-N 3.24Å; T966-H968 PolarHBondContact O-N 3Å; H968-I970 HydrophobicContact CB-CD1 3.61Å; H968-I970 HydrophobicContact CB-CG1 3.74Å; H968-I970 PolarHBondContact O-N 2.89Å
969S79.9Confident83.7Confident20 Ų2046.4 Ų46.414%0.1425%0.247CC..THydrogen-bonded Turntrans51.735.3-172.5-510000112.7R949 L965R949-S969 PolarHBondContact N-O 2.88Å; L965-S969 PolarHBondContact O-N 3.09Å
970I84.1Confident84Confident9 Ų946.6 Ų46.65%0.04624%0.243CC..EExtended strand (participates in β ladder)trans-92.7130.3178.1-62168.8000108.8R949 R951 S964 L965 H968R949-I970 HydrophobicContact CB-CG1 3.97Å; R949-I970 HydrophobicContact CG-CG1 4.32Å; R949-I970 CarbonylContact O-C 3.56Å; R949-I970 VanDerWaalsContact O-CA 3.27Å; R949-I970 WeakPolarHBondContact O-CA 2.85Å; R951-I970 HydrophobicContact CB-CG2 3.86Å; S964-I970 WeakPolarHBondContact CA-O 3.28Å; L965-I970 HydrophobicContact CB-CB 4.18Å; L965-I970 PolarHBondContact N-O 3.06Å; L965-I970 PolarHBondContact O-N 2.72Å; H968-I970 HydrophobicContact CB-CD1 3.61Å; H968-I970 HydrophobicContact CB-CG1 3.74Å; H968-I970 PolarHBondContact O-N 2.89Å
971L88.8Confident84.3Confident1 Ų146.4 Ų46.41%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-107.8110.1171.6-172.771.7000109.1F913 F928 F931 L932 I948 R949 F950 R951 P962 L973F913-L971 HydrophobicContact CD2-CD2 4.32Å; F913-L971 HydrophobicContact CE2-CD2 3.73Å; F913-L971 HydrophobicContact CZ-CD2 4.16Å; F928-L971 HydrophobicContact CZ-CD1 4.45Å; F928-L971 HydrophobicContact CZ-CD2 4.16Å; F931-L971 HydrophobicContact CE1-CD1 3.8Å; L932-L971 HydrophobicContact CD1-CB 4.16Å; I948-L971 HydrophobicContact CG2-CB 3.58Å; I948-L971 HydrophobicContact CG2-CD2 4.25Å; R949-L971 PolarHBondContact O-N 3.41Å; F950-L971 HydrophobicContact CD1-CD2 4.09Å; F950-L971 HydrophobicContact CE1-CD2 3.8Å; R951-L971 PolarHBondContact N-O 3.21Å; P962-L971 HydrophobicContact CB-CD1 4.13Å; L971-L973 HydrophobicContact CD2-CB 4.37Å; L971-L973 HydrophobicContact CD2-CD1 4.37Å; L971-L973 HydrophobicContact CG-CB 4.39Å; L971-L973 PolarHBondContact O-N 3.27Å
972D88.1Confident84.6Confident16 Ų1643.7 Ų43.79%0.08622%0.224CC..EExtended strand (participates in β ladder)trans-74.597.8164.9-79.3-30.9000108.2R951 P953 P962 R963 L965R951-D972 WeakPolarHBondContact CB-OD1 3.4Å; R951-D972 IonicContact CZ-OD1 3.05Å; R951-D972 VanDerWaalsContact CZ-OD1 3.27Å; R951-D972 IonicContact CZ-OD2 2.73Å; R951-D972 IonicContact NE-OD1 3.48Å; R951-D972 PolarHBondContact NE-OD1 2.78Å; R951-D972 IonicContact NE-OD2 3.27Å; R951-D972 VanDerWaalsContact NH2-CG 3.27Å; R951-D972 IonicContact NH2-OD1 2.67Å; R951-D972 PolarHBondContact NH2-OD1 3.18Å; R951-D972 IonicContact NH2-OD2 3.86Å; R951-D972 PolarHBondContact NH2-OD2 2.92Å; R951-D972 WeakPolarHBondContact O-CA 3.15Å; P953-D972 HydrophobicContact CG-CB 4.09Å; P962-D972 VanDerWaalsContact CA-O 3.28Å; P962-D972 WeakPolarHBondContact CA-O 3.41Å; R963-D972 HydrophobicContact CB-CB 4.13Å; R963-D972 PolarHBondContact N-O 2.99Å; R963-D972 WeakPolarHBondContact O-CB 3.31Å; R963-D972 PolarHBondContact O-N 2.96Å; L965-D972 VanDerWaalsContact CD1-OD2 3.31Å; L965-D972 WeakPolarHBondContact CD1-OD2 3.46Å
973L90.7Very high84.8Confident2 Ų246.5 Ų46.51%0.0124%0.237CC..  trans-103.6119.5-178.5-17364.8000108.2Y903 T909 I910 F913 F950 R951 P953 P962 L971 Y976 M982Y903-L973 HydrophobicContact CE2-CB 4.06Å; Y903-L973 WeakPolarHBondContact CE2-O 3.49Å; Y903-L973 PolarHBondContact OH-O 3.2Å; T909-L973 HydrophobicContact CG2-CD2 4Å; T909-L973 HydrophobicContact CG2-CG 4.27Å; I910-L973 HydrophobicContact CD1-CD2 4.24Å; F913-L973 HydrophobicContact CB-CD2 4.15Å; F913-L973 HydrophobicContact CD2-CD1 4.44Å; F913-L973 HydrophobicContact CD2-CD2 4.23Å; F913-L973 HydrophobicContact CG-CD2 4.36Å; F950-L973 HydrophobicContact CD1-CB 4.45Å; F950-L973 HydrophobicContact CD1-CD2 3.92Å; F950-L973 HydrophobicContact CE1-CD2 4.03Å; R951-L973 PolarHBondContact O-N 2.88Å; R951-L973 VanDerWaalsContact O-N 3.07Å; P953-L973 WeakPolarHBondContact CD-O 3.47Å; P962-L973 HydrophobicContact CB-CD1 4.11Å; L971-L973 HydrophobicContact CD2-CB 4.37Å; L971-L973 HydrophobicContact CD2-CD1 4.37Å; L971-L973 HydrophobicContact CG-CB 4.39Å; L971-L973 PolarHBondContact O-N 3.27Å; L973-Y976 HydrophobicContact CD1-CD2 4.15Å; L973-Y976 HydrophobicContact CD1-CE2 3.66Å; L973-M982 HydrophobicContact CD1-SD 4.4Å; L973-M982 HydrophobicContact CD2-CE 4.38Å
974P90.5Very high85.1Confident1 Ų145.2 Ų45.21%0.00624%0.236CC..  trans-66.5160.3168.6-20.832.3000112.2Y903 T909 L956 T957 D960 Y976Y903-P974 PolarHBondContact OH-O 3.2Å; T909-P974 WeakPolarHBondContact CG2-O 3.34Å; L956-P974 HydrophobicContact CB-CB 4.35Å; L956-P974 HydrophobicContact CB-CG 3.96Å; L956-P974 HydrophobicContact CD1-CG 3.99Å; T957-P974 VanDerWaalsContact O-CB 3.28Å; T957-P974 WeakPolarHBondContact O-CB 3.46Å; D960-P974 HydrophobicContact CB-CG 4.21Å; P974-Y976 HydrophobicContact CB-CE1 3.88Å; P974-Y976 WeakPolarHBondContact CD-OH 3.1Å; P974-Y976 HydrophobicContact CG-CE1 4.24Å; P974-Y976 WeakPolarHBondContact CG-OH 3.26Å; P974-Y976 PolarHBondContact O-N 2.87Å; P974-Y976 VanDerWaalsContact O-N 3.09Å
975K90.1Very high85.4Confident95 Ų9543.6 Ų43.641%0.41322%0.224SC..  trans-76.897.3176.5-67.5-178.2-176.7176.60110.2E902 C952E902-K975 WeakPolarHBondContact OE2-CE 3.22Å; E902-K975 IonicContact OE2-NZ 2.67Å; E902-K975 PolarHBondContact OE2-NZ 3.25Å; C952-K975 VanDerWaalsContact SG-CE 3.55Å
976Y90.8Very high86Confident4 Ų441 Ų412%0.01621%0.211CC..  trans-86.2135.1171.4-54.7-50.8000111.3T909 E958 D960 P962 L973 P974 R981 M982 A985T909-Y976 HydrophobicContact CG2-CD2 4.49Å; T909-Y976 PolarHBondContact OG1-O 2.84Å; E958-Y976 HydrophobicContact CG-CD1 4.11Å; E958-Y976 WeakPolarHBondContact O-CD1 3.48Å; E958-Y976 WeakPolarHBondContact O-CE1 3.44Å; D960-Y976 WeakPolarHBondContact O-CE1 3.28Å; D960-Y976 PolarHBondContact O-OH 3.44Å; P962-Y976 VanDerWaalsContact CD-OH 3.31Å; P962-Y976 WeakPolarHBondContact CD-OH 3.46Å; L973-Y976 HydrophobicContact CD1-CD2 4.15Å; L973-Y976 HydrophobicContact CD1-CE2 3.66Å; P974-Y976 HydrophobicContact CB-CE1 3.88Å; P974-Y976 WeakPolarHBondContact CD-OH 3.1Å; P974-Y976 HydrophobicContact CG-CE1 4.24Å; P974-Y976 WeakPolarHBondContact CG-OH 3.26Å; P974-Y976 PolarHBondContact O-N 2.87Å; P974-Y976 VanDerWaalsContact O-N 3.09Å; Y976-R981 HydrophobicContact CD1-CG 3.56Å; Y976-R981 HydrophobicContact CE1-CG 4.1Å; Y976-R981 HydrophobicContact CG-CG 4.14Å; Y976-M982 HydrophobicContact CD2-CB 4.49Å; Y976-M982 HydrophobicContact CD2-CE 3.57Å; Y976-M982 HydrophobicContact CD2-SD 3.79Å; Y976-M982 HydrophobicContact CE2-CE 4.5Å; Y976-M982 HydrophobicContact CE2-SD 4.29Å; Y976-M982 HydrophobicContact CG-CE 4.38Å; Y976-A985 HydrophobicContact CE1-CB 4.35Å; Y976-A985 HydrophobicContact CE2-CB 3.69Å
977S88Confident86.9Confident84 Ų8443.4 Ų43.459%0.58722%0.221SC*.  trans-94.2-23.5-179.869.70000113.4E958E958-S977 WeakPolarHBondContact OE1-CB 3.2Å; E958-S977 PolarHBondContact OE1-N 2.66Å; E958-S977 PolarHBondContact OE1-OG 2.82Å
978T91.6Very high88.1Confident66 Ų6643.9 Ų43.941%0.40522%0.222SC..SBendtrans-119.9155.5-17870.90000113.3R981 M982T978-R981 WeakPolarHBondContact OG1-CB 3.47Å; T978-R981 PolarHBondContact OG1-N 2.84Å; T978-M982 PolarHBondContact O-N 2.92Å
979M92.3Very high89Confident38 Ų3838.9 Ų38.919%0.18720%0.2CC..Hα-helixtrans-68.8-37.3175.8-171.675.9-171.100112.1L912 K915 A916 K919 M982 E983L912-M979 HydrophobicContact CD2-CB 4.13Å; L912-M979 HydrophobicContact CD2-SD 3.76Å; K915-M979 HydrophobicContact CB-CE 4.1Å; K915-M979 HydrophobicContact CB-SD 4.41Å; K915-M979 HydrophobicContact CD-CE 4.28Å; K915-M979 HydrophobicContact CD-SD 4.16Å; K915-M979 HydrophobicContact CG-CE 3.95Å; K915-M979 HydrophobicContact CG-SD 4.4Å; A916-M979 VanDerWaalsContact CA-CE 3.46Å; A916-M979 HydrophobicContact CB-CE 3.61Å; K919-M979 HydrophobicContact CD-CE 4.28Å; M979-M982 WeakPolarHBondContact O-CB 3.45Å; M979-M982 PolarHBondContact O-N 3.03Å; M979-E983 HydrophobicContact CE-CG 4.02Å; M979-E983 WeakPolarHBondContact CE-OE1 3.34Å; M979-E983 HydrophobicContact CG-CG 4.44Å; M979-E983 WeakPolarHBondContact O-CG 3.4Å; M979-E983 PolarHBondContact O-N 2.82Å
980E89.9Confident89.2Confident139 Ų13938 Ų3865%0.6519%0.193SC*.Hα-helixtrans-60.9-49.8179-175.4172.9-16200110.7M982 E983 E984E980-M982 VanDerWaalsContact C-N 3.3Å; E980-M982 PolarHBondContact O-N 2.54Å; E980-E983 PolarHBondContact O-N 3.27Å; E980-E983 VanDerWaalsContact O-N 3.15Å; E980-E984 WeakPolarHBondContact O-CG 3.22Å; E980-E984 PolarHBondContact O-N 3.41Å
981R91.4Very high89.2Confident44 Ų4442.9 Ų42.917%0.16622%0.22CC..Hα-helixtrans-59.6-40.1175.9-176.666.3-164.4135.27.4112.4E958 D959 D960 N961 Y976 T978 E984 A985E958-R981 HydrophobicContact CG-CG 4.48Å; E958-R981 PolarHBondContact O-NE 2.96Å; D959-R981 PolarHBondContact O-NH2 3.22Å; D960-R981 PolarHBondContact O-NH2 3.46Å; N961-R981 PolarHBondContact OD1-NH2 3.15Å; Y976-R981 HydrophobicContact CD1-CG 3.56Å; Y976-R981 HydrophobicContact CE1-CG 4.1Å; Y976-R981 HydrophobicContact CG-CG 4.14Å; T978-R981 WeakPolarHBondContact OG1-CB 3.47Å; T978-R981 PolarHBondContact OG1-N 2.84Å; R981-E984 IonicContact NH1-OE2 3.77Å; R981-E984 PolarHBondContact NH1-OE2 3.09Å; R981-A985 WeakPolarHBondContact O-CB 3.26Å; R981-A985 PolarHBondContact O-N 3.33Å
982M93.1Very high88.6Confident2 Ų245.9 Ų45.91%0.0124%0.241CC..Hα-helixtrans-62.9-45175.9178.365.672.300112.1T909 L912 F913 A916 L973 Y976 T978 M979 E980 L986T909-M982 HydrophobicContact CG2-CE 3.68Å; T909-M982 WeakPolarHBondContact O-CE 3.28Å; L912-M982 HydrophobicContact CB-CB 4.48Å; L912-M982 HydrophobicContact CB-CE 3.9Å; L912-M982 HydrophobicContact CB-CG 4.31Å; F913-M982 HydrophobicContact CB-CE 3.79Å; F913-M982 HydrophobicContact CB-SD 3.89Å; F913-M982 HydrophobicContact CD2-SD 4.02Å; F913-M982 HydrophobicContact CG-SD 4.46Å; A916-M982 HydrophobicContact CB-CG 3.82Å; L973-M982 HydrophobicContact CD1-SD 4.4Å; L973-M982 HydrophobicContact CD2-CE 4.38Å; Y976-M982 HydrophobicContact CD2-CB 4.49Å; Y976-M982 HydrophobicContact CD2-CE 3.57Å; Y976-M982 HydrophobicContact CD2-SD 3.79Å; Y976-M982 HydrophobicContact CE2-CE 4.5Å; Y976-M982 HydrophobicContact CE2-SD 4.29Å; Y976-M982 HydrophobicContact CG-CE 4.38Å; T978-M982 PolarHBondContact O-N 2.92Å; M979-M982 WeakPolarHBondContact O-CB 3.45Å; M979-M982 PolarHBondContact O-N 3.03Å; E980-M982 VanDerWaalsContact C-N 3.3Å; E980-M982 PolarHBondContact O-N 2.54Å; M982-L986 WeakPolarHBondContact O-CB 3.2Å; M982-L986 PolarHBondContact O-N 2.86Å
983E90.9Very high87.6Confident72 Ų7246.5 Ų46.534%0.33624%0.244SC..Hα-helixtrans-66.6-42-180-73.9177.7176.500111.5A916 K919 M979 E980 L986 Q987A916-E983 HydrophobicContact CB-CG 3.96Å; K919-E983 WeakPolarHBondContact CD-OE1 3.42Å; K919-E983 IonicContact NZ-OE1 2.72Å; K919-E983 PolarHBondContact NZ-OE1 2.9Å; M979-E983 HydrophobicContact CE-CG 4.02Å; M979-E983 WeakPolarHBondContact CE-OE1 3.34Å; M979-E983 HydrophobicContact CG-CG 4.44Å; M979-E983 WeakPolarHBondContact O-CG 3.4Å; M979-E983 PolarHBondContact O-N 2.82Å; E980-E983 PolarHBondContact O-N 3.27Å; E980-E983 VanDerWaalsContact O-N 3.15Å; E983-L986 PolarHBondContact O-N 3.21Å; E983-Q987 PolarHBondContact O-N 3.4Å
984E89.8Confident86.3Confident95 Ų9551.5 Ų51.544%0.44427%0.266SS..Hα-helixtrans-59.7-51.6172.9-72.4177.7170.800112E980 R981 L986 Q987 V988E980-E984 WeakPolarHBondContact O-CG 3.22Å; E980-E984 PolarHBondContact O-N 3.41Å; R981-E984 IonicContact NH1-OE2 3.77Å; R981-E984 PolarHBondContact NH1-OE2 3.09Å; E984-L986 VanDerWaalsContact C-N 3.28Å; E984-L986 PolarHBondContact O-N 2.98Å; E984-Q987 WeakPolarHBondContact O-CB 3.48Å; E984-Q987 PolarHBondContact O-N 3.03Å; E984-Q987 VanDerWaalsContact O-N 3.12Å; E984-V988 WeakPolarHBondContact O-CG2 3.41Å; E984-V988 PolarHBondContact O-N 2.88Å
985A88.1Confident84.8Confident0 Ų052.5 Ų52.50%028%0.276CS..Hα-helixtrans-61.6-38-179.400000111.8Y976 R981 V988 A989Y976-A985 HydrophobicContact CE1-CB 4.35Å; Y976-A985 HydrophobicContact CE2-CB 3.69Å; R981-A985 WeakPolarHBondContact O-CB 3.26Å; R981-A985 PolarHBondContact O-N 3.33Å; A985-V988 PolarHBondContact O-N 3.12Å; A985-A989 PolarHBondContact O-N 3.01Å
986L89.6Confident83Confident7 Ų750.7 Ų50.74%0.03727%0.268CS..Hα-helixtrans-67.9-38.1175.1-17159.3000111.8F913 A916 F917 L920 F928 M982 E983 E984 A989 I990F913-L986 HydrophobicContact CE2-CD1 3.93Å; A916-L986 HydrophobicContact CB-CD2 3.93Å; F917-L986 HydrophobicContact CB-CD2 4.48Å; L920-L986 HydrophobicContact CD1-CD2 3.81Å; L920-L986 HydrophobicContact CD1-CG 4.23Å; L920-L986 HydrophobicContact CD2-CD2 4.3Å; L920-L986 HydrophobicContact CG-CD2 4.2Å; F928-L986 HydrophobicContact CD2-CD1 3.48Å; F928-L986 VanDerWaalsContact CD2-CD1 3.48Å; F928-L986 HydrophobicContact CE2-CD1 3.49Å; F928-L986 VanDerWaalsContact CE2-CD1 3.49Å; F928-L986 HydrophobicContact CG-CD1 4.45Å; F928-L986 HydrophobicContact CZ-CD1 4.46Å; M982-L986 WeakPolarHBondContact O-CB 3.2Å; M982-L986 PolarHBondContact O-N 2.86Å; E983-L986 PolarHBondContact O-N 3.21Å; E984-L986 VanDerWaalsContact C-N 3.28Å; E984-L986 PolarHBondContact O-N 2.98Å; L986-A989 WeakPolarHBondContact O-CB 3.31Å; L986-A989 PolarHBondContact O-N 3.26Å; L986-I990 HydrophobicContact CG-CD1 4.15Å; L986-I990 WeakPolarHBondContact O-CD1 3.28Å; L986-I990 VanDerWaalsContact O-CG1 3.23Å; L986-I990 WeakPolarHBondContact O-CG1 3.44Å; L986-I990 PolarHBondContact O-N 2.9Å
987Q89.1Confident80.6Confident66 Ų6655.7 Ų55.731%0.30830%0.299SS..Hα-helixtrans-64.7-39.7172.3-89.9-63.8-4.600112.5E924 E983 E984 A989 I990 N991E924-Q987 PolarHBondContact OE1-NE2 2.94Å; E983-Q987 PolarHBondContact O-N 3.4Å; E984-Q987 WeakPolarHBondContact O-CB 3.48Å; E984-Q987 PolarHBondContact O-N 3.03Å; E984-Q987 VanDerWaalsContact O-N 3.12Å; Q987-A989 VanDerWaalsContact C-N 3.3Å; Q987-A989 PolarHBondContact O-N 3.07Å; Q987-I990 PolarHBondContact O-N 2.73Å; Q987-N991 WeakPolarHBondContact O-CB 3.33Å; Q987-N991 VanDerWaalsContact O-CG 3.29Å; Q987-N991 PolarHBondContact O-N 3.05Å; Q987-N991 PolarHBondContact O-ND2 3.16Å; Q987-N991 PolarHBondContact OE1-ND2 3.36Å
988V86.3Confident78Confident53 Ų5356.6 Ų56.632%0.32131%0.306SS..Hα-helixtrans-60.7-42.6173.91760000110.7N961 E984 A985 N991 S992N961-V988 HydrophobicContact CB-CG1 4.14Å; E984-V988 WeakPolarHBondContact O-CG2 3.41Å; E984-V988 PolarHBondContact O-N 2.88Å; A985-V988 PolarHBondContact O-N 3.12Å; V988-N991 PolarHBondContact O-N 2.67Å; V988-S992 VanDerWaalsContact O-CB 3.25Å; V988-S992 WeakPolarHBondContact O-CB 3.21Å; V988-S992 PolarHBondContact O-N 3.28Å; V988-S992 PolarHBondContact O-OG 3.07Å
989A85.1Confident75.3Confident2 Ų260.8 Ų60.82%0.01732%0.321CS..Hα-helixtrans-61.2-45.9175.400000112.4F931 P962 A985 L986 Q987 N991 S992F931-A989 HydrophobicContact CD1-CB 3.92Å; F931-A989 HydrophobicContact CD2-CB 4.49Å; F931-A989 WeakPolarHBondContact CD2-O 3.42Å; F931-A989 HydrophobicContact CE1-CB 3.74Å; F931-A989 HydrophobicContact CE2-CB 4.34Å; F931-A989 HydrophobicContact CG-CB 4.29Å; F931-A989 WeakPolarHBondContact CG-O 3.17Å; F931-A989 HydrophobicContact CZ-CB 3.96Å; P962-A989 HydrophobicContact CG-CB 3.95Å; A985-A989 PolarHBondContact O-N 3.01Å; L986-A989 WeakPolarHBondContact O-CB 3.31Å; L986-A989 PolarHBondContact O-N 3.26Å; Q987-A989 VanDerWaalsContact C-N 3.3Å; Q987-A989 PolarHBondContact O-N 3.07Å; A989-N991 VanDerWaalsContact C-N 3.29Å; A989-N991 PolarHBondContact O-N 3.48Å; A989-S992 PolarHBondContact O-N 2.73Å
990I85.9Confident72.2Confident1 Ų173.3 Ų73.31%0.00537%0.366CS..Hα-helixtrans-60.4-39.2177.6-72.7162.1000111.4L920 E924 K927 F928 L986 Q987 N993L920-I990 HydrophobicContact CD1-CD1 3.74Å; L920-I990 HydrophobicContact CD2-CD1 3.74Å; L920-I990 HydrophobicContact CG-CD1 4.39Å; E924-I990 HydrophobicContact CB-CD1 4.15Å; K927-I990 HydrophobicContact CB-CG2 3.78Å; K927-I990 HydrophobicContact CD-CG2 3.95Å; F928-I990 HydrophobicContact CB-CG1 4.08Å; L986-I990 HydrophobicContact CG-CD1 4.15Å; L986-I990 WeakPolarHBondContact O-CD1 3.28Å; L986-I990 VanDerWaalsContact O-CG1 3.23Å; L986-I990 WeakPolarHBondContact O-CG1 3.44Å; L986-I990 PolarHBondContact O-N 2.9Å; Q987-I990 PolarHBondContact O-N 2.73Å; I990-N993 PolarHBondContact O-ND2 3.4Å
991N83.3Confident71.3Confident113 Ų11370 Ų7060%0.60435%0.351SS*.Hα-helixtrans-83.3-18.5-178.6-67.3-42000113.3Q987 V988 A989 N993Q987-N991 WeakPolarHBondContact O-CB 3.33Å; Q987-N991 VanDerWaalsContact O-CG 3.29Å; Q987-N991 PolarHBondContact O-N 3.05Å; Q987-N991 PolarHBondContact O-ND2 3.16Å; Q987-N991 PolarHBondContact OE1-ND2 3.36Å; V988-N991 PolarHBondContact O-N 2.67Å; A989-N991 VanDerWaalsContact C-N 3.29Å; A989-N991 PolarHBondContact O-N 3.48Å; N991-N993 VanDerWaalsContact C-N 3.3Å; N991-N993 PolarHBondContact O-N 3.29Å
992S76.9Confident70.3Confident64 Ų6471.4 Ų71.445%0.44836%0.361SS..THydrogen-bonded Turntrans-93.729.8177.6-52.80000112.9V988 A989 K994V988-S992 VanDerWaalsContact O-CB 3.25Å; V988-S992 WeakPolarHBondContact O-CB 3.21Å; V988-S992 PolarHBondContact O-N 3.28Å; V988-S992 PolarHBondContact O-OG 3.07Å; A989-S992 PolarHBondContact O-N 2.73Å; S992-K994 VanDerWaalsContact C-N 3.31Å; S992-K994 PolarHBondContact O-N 3.06Å
993N66.4Low69Low29 Ų2975.2 Ų75.216%0.15538%0.381CS..  trans-81.91.8-17264.926.2000115.3L930 F931 I990 N991L930-N993 HydrophobicContact CB-CB 4.5Å; L930-N993 HydrophobicContact CD2-CB 4.14Å; L930-N993 HydrophobicContact CG-CB 4.33Å; F931-N993 HydrophobicContact CB-CB 4.27Å; I990-N993 PolarHBondContact O-ND2 3.4Å; N991-N993 VanDerWaalsContact C-N 3.3Å; N991-N993 PolarHBondContact O-N 3.29Å
994K63.6Low67.7Low106 Ų10675.4 Ų75.446%0.46138%0.383SS..SBendtrans-130.6123177.7-71-176.8-171.7-159.60109.9E709 S992E709-K994 VanDerWaalsContact CD-NZ 3.28Å; E709-K994 IonicContact OE1-NZ 3.27Å; E709-K994 PolarHBondContact OE1-NZ 3.46Å; E709-K994 IonicContact OE2-NZ 3.72Å; E709-K994 PolarHBondContact OE2-NZ 3.27Å; S992-K994 VanDerWaalsContact C-N 3.31Å; S992-K994 PolarHBondContact O-N 3.06Å
995G58.1Low66.3Low22 Ų2274.2 Ų74.223%0.22738%0.379CS..  trans101.5121.3178.500000114.6R661 E702 V997R661-G995 VanDerWaalsContact CZ-CA 3.48Å; E702-G995 PolarHBondContact OE1-N 2.89Å; E702-G995 VanDerWaalsContact OE1-N 3.09Å; G995-V997 PolarHBondContact O-N 3.44Å
996F53.3Low64.9Low58 Ų5879.1 Ų79.125%0.25441%0.405SS..  trans-77.361.8166.2-59.9-69.2000110.2V699 E702 T966 S998V699-F996 HydrophobicContact CB-CE2 4.06Å; V699-F996 HydrophobicContact CB-CZ 4.49Å; V699-F996 HydrophobicContact CG1-CE2 4.19Å; V699-F996 HydrophobicContact CG2-CD2 4.2Å; V699-F996 HydrophobicContact CG2-CE2 3.59Å; V699-F996 HydrophobicContact CG2-CZ 3.97Å; E702-F996 HydrophobicContact CB-CE2 4.41Å; E702-F996 HydrophobicContact CB-CZ 4.34Å; E702-F996 WeakPolarHBondContact OE2-CD2 3.39Å; E702-F996 WeakPolarHBondContact OE2-CE2 3.29Å; E702-F996 WeakPolarHBondContact OE2-CZ 3.24Å; T966-F996 HydrophobicContact CG2-CE1 3.96Å; T966-F996 WeakPolarHBondContact OG1-CE1 3.21Å; F996-S998 PolarHBondContact O-N 3.49Å; F996-S998 VanDerWaalsContact O-N 3.07Å
997V41.1Very low63.1Low108 Ų10884.3 Ų84.366%0.65543%0.431SS*.  trans-75.7103.3176-171.60000107.5G995 Q999G995-V997 PolarHBondContact O-N 3.44Å; V997-Q999 HydrophobicContact CG1-CG 4.08Å; V997-Q999 PolarHBondContact O-N 2.78Å
998S33.3Very low61.1Low104 Ų10485.7 Ų85.773%0.72744%0.44SS*.  trans-62.695.6156171.30000106.8F996 R1000F996-S998 PolarHBondContact O-N 3.49Å; F996-S998 VanDerWaalsContact O-N 3.07Å; S998-R1000 PolarHBondContact O-N 2.67Å
999Q33Very low59Low154 Ų15488.4 Ų88.472%0.7245%0.45SS*.  trans-69.4113.4157.3-70.4-171.9-5.600105.7V997V997-Q999 HydrophobicContact CG1-CG 4.08Å; V997-Q999 PolarHBondContact O-N 2.78Å
1000R28.3Very low56.7Low300 Ų30096.3 Ų96.3100%1.13249%0.49SS*.  trans-57.90175.4-83.3-176.8173.7-179.5-2.2111.4S998S998-R1000 PolarHBondContact O-N 2.67Å

Retrieved 1,000 of 1,000 residues in 412.8 ms (Link to these results)

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