A0A096MN57_PAPAN Loading...

Chromosome 21 open reading frame 140

AlphaFold DB , UniProt , Accession A0A096MN57, Species PAPAN (Papio anubis, Olive baboon), Gene C21orf140, Length 251 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
1M42.2Very low49.6Very low241 Ų241158.5 Ų158.5100%1.18782%0.817SS**  0105.90-83.7-175.5152.900109.8
2P44.7Very low49.6Very low116 Ų116155.2 Ų155.275%0.75381%0.809SS**  trans-92.9120.6164.417.8-0.4000109.6F4P2-F4 PolarHBondContact O-N 3.1Å
3R51.4Low49.3Very low244 Ų244153.3 Ų153.392%0.92180%0.798SS**  trans-66.3112.2169.9-71.4175.5174.5176.3-2.5108.5A5R3-A5 VanDerWaalsContact C-N 3.31Å; R3-A5 PolarHBondContact O-N 2.85Å
4F47.8Very low49.1Very low193 Ų193151.7 Ų151.785%0.84679%0.789SS**  trans-73.389.9165.1-90.3-86000109.1P2 S6P2-F4 PolarHBondContact O-N 3.1Å; F4-S6 PolarHBondContact O-N 2.82Å
5A50.2Low48.9Very low96 Ų96157 Ų15779%0.79380%0.795SS**  trans-78.989.3160.800000108.4R3R3-A5 VanDerWaalsContact C-N 3.31Å; R3-A5 PolarHBondContact O-N 2.85Å
6S55.7Low49.2Very low81 Ų81149.4 Ų149.457%0.56676%0.76SS**  trans-111.297158.853.20000107.9F4 L8F4-S6 PolarHBondContact O-N 2.82Å; S6-L8 PolarHBondContact O-N 2.79Å; S6-L8 VanDerWaalsContact O-N 3.15Å
7P54.8Low49.1Very low122 Ų122151.4 Ų151.479%0.79277%0.766SS**  trans-80.216.5-179.333.7-34.1000112.8
8L57.9Low49.3Very low119 Ų119150.5 Ų150.562%0.62376%0.757SS**  trans-100.3111.6179.5-64.1175.5000108.4S6 R10S6-L8 PolarHBondContact O-N 2.79Å; S6-L8 VanDerWaalsContact O-N 3.15Å; L8-R10 HydrophobicContact CB-CG 4.26Å; L8-R10 PolarHBondContact O-N 3.33Å
9L51.8Low50.2Low185 Ų185146.3 Ų146.397%0.96974%0.736SS**  trans-59.287.3162.1-67.6170.3000107.9N11L9-N11 PolarHBondContact O-N 3.12Å
10R46Very low51.2Low201 Ų201141.2 Ų141.276%0.75872%0.722SS**  trans-80.5115.3178.2-74.8-178.3177.9-175.3-0.2108.5L8L8-R10 HydrophobicContact CB-CG 4.26Å; L8-R10 PolarHBondContact O-N 3.33Å
11N43.5Very low52.4Low145 Ų145139.1 Ų139.178%0.77571%0.712SS**  trans-86.2111.9169.2-155.1-5.5000108.2L9 I13L9-N11 PolarHBondContact O-N 3.12Å; N11-I13 PolarHBondContact O-N 2.75Å; N11-I13 VanDerWaalsContact O-N 3.14Å
12V49.2Very low54Low119 Ų119131.7 Ų131.772%0.72167%0.673SS**  trans-76.399.8176.8-179.70000107.9I14V12-I14 HydrophobicContact CG1-CG1 3.95Å; V12-I14 PolarHBondContact O-N 3.42Å
13I45.9Very low55.6Low131 Ų131131.4 Ų131.467%0.67266%0.657SS**  trans-84.494.5170.8-55.5174.4000107.1N11 R15N11-I13 PolarHBondContact O-N 2.75Å; N11-I13 VanDerWaalsContact O-N 3.14Å; I13-R15 HydrophobicContact CG2-CG 4.34Å; I13-R15 PolarHBondContact O-N 2.97Å
14I46.1Very low57.2Low131 Ų131126.5 Ų126.567%0.67264%0.642SS**  trans-68.198168.4-55.9175.9000106.6V12 S16V12-I14 HydrophobicContact CG1-CG1 3.95Å; V12-I14 PolarHBondContact O-N 3.42Å; I14-S16 VanDerWaalsContact C-N 3.28Å; I14-S16 PolarHBondContact O-N 2.92Å
15R46.8Very low58.9Low231 Ų231120.6 Ų120.687%0.87262%0.617SS**  trans-70.188.4170.8-74.2-174.5178.9179.50.8108.3I13I13-R15 HydrophobicContact CG2-CG 4.34Å; I13-R15 PolarHBondContact O-N 2.97Å
16S53.2Low60.7Low35 Ų35116.1 Ų116.125%0.24558%0.58CS.*  trans-88144.7174.8770000109.4I14 F18 D19I14-S16 VanDerWaalsContact C-N 3.28Å; I14-S16 PolarHBondContact O-N 2.92Å; S16-F18 PolarHBondContact O-N 2.78Å; S16-F18 VanDerWaalsContact O-N 3.08Å; S16-F18 WeakPolarHBondContact OG-CB 3.27Å; S16-D19 PolarHBondContact N-OD2 3.24Å; S16-D19 VanDerWaalsContact O-CB 3.25Å; S16-D19 WeakPolarHBondContact O-CB 3.5Å; S16-D19 PolarHBondContact O-N 2.82Å; S16-D19 PolarHBondContact OG-N 3.04Å; S16-D19 PolarHBondContact OG-OD1 2.89Å
17Q48Very low62.2Low183 Ų183113.1 Ų113.186%0.85556%0.558SS**Hα-helixtrans-56.2-23.8170.1-70.5178.1-5.300111.8D19 G20Q17-D19 PolarHBondContact O-N 3.34Å; Q17-G20 PolarHBondContact O-N 3.09Å
18F53.2Low63.9Low136 Ų136112.6 Ų112.660%0.59655%0.545SS*.Hα-helixtrans-63.5-20.8171-60.2-87.9000113.7S16 G20 I21 K22S16-F18 PolarHBondContact O-N 2.78Å; S16-F18 VanDerWaalsContact O-N 3.08Å; S16-F18 WeakPolarHBondContact OG-CB 3.27Å; F18-G20 VanDerWaalsContact C-N 3.34Å; F18-G20 PolarHBondContact O-N 3.33Å; F18-I21 PolarHBondContact O-N 3.36Å; F18-K22 HydrophobicContact CB-CD 4.39Å; F18-K22 VanDerWaalsContact O-CB 3.22Å; F18-K22 WeakPolarHBondContact O-CB 3.45Å; F18-K22 WeakPolarHBondContact O-CD 3.45Å; F18-K22 WeakPolarHBondContact O-CG 3.36Å; F18-K22 PolarHBondContact O-N 3.02Å
19D65.5Low65.6Low70 Ų70107.4 Ų107.437%0.37452%0.517SS..Hα-helixtrans-66.5-37.5178-66.7-12.5000111.4S16 Q17 R23S16-D19 PolarHBondContact N-OD2 3.24Å; S16-D19 VanDerWaalsContact O-CB 3.25Å; S16-D19 WeakPolarHBondContact O-CB 3.5Å; S16-D19 PolarHBondContact O-N 2.82Å; S16-D19 PolarHBondContact OG-N 3.04Å; S16-D19 PolarHBondContact OG-OD1 2.89Å; Q17-D19 PolarHBondContact O-N 3.34Å; D19-R23 WeakPolarHBondContact O-CB 3.38Å; D19-R23 PolarHBondContact O-N 2.8Å
20G71.3Confident67.6Low44 Ų4498.7 Ų98.745%0.45447%0.471SS..Hα-helixtrans-66.6-45.8176.900000112.3Q17 F18 K24Q17-G20 PolarHBondContact O-N 3.09Å; F18-G20 VanDerWaalsContact C-N 3.34Å; F18-G20 PolarHBondContact O-N 3.33Å; G20-K24 WeakPolarHBondContact O-CB 3.37Å; G20-K24 PolarHBondContact O-N 2.76Å
21I75.1Confident69.8Low98 Ų9893.1 Ų93.150%0.50345%0.453SS..Hα-helixtrans-66.6-48.3179.4-61.4173.6000110.6F18 R23 K24 Q25F18-I21 PolarHBondContact O-N 3.36Å; I21-R23 VanDerWaalsContact C-N 3.33Å; I21-R23 PolarHBondContact O-N 2.64Å; I21-K24 WeakPolarHBondContact O-CB 3.43Å; I21-K24 PolarHBondContact O-N 2.7Å; I21-K24 VanDerWaalsContact O-N 3.17Å; I21-Q25 WeakPolarHBondContact O-CG 3.43Å; I21-Q25 PolarHBondContact O-N 2.99Å
22K75.4Confident72.3Confident86 Ų8688.6 Ų88.637%0.37443%0.43SS..Hα-helixtrans-60.2-42.5177.5-72.3171.4-179.1169.30111.8F18 Q25 C26 P175F18-K22 HydrophobicContact CB-CD 4.39Å; F18-K22 VanDerWaalsContact O-CB 3.22Å; F18-K22 WeakPolarHBondContact O-CB 3.45Å; F18-K22 WeakPolarHBondContact O-CD 3.45Å; F18-K22 WeakPolarHBondContact O-CG 3.36Å; F18-K22 PolarHBondContact O-N 3.02Å; K22-Q25 PolarHBondContact O-N 2.89Å; K22-C26 PolarHBondContact O-N 2.9Å; K22-C26 PolarHBondContact O-SG 2.77Å; K22-P175 HydrophobicContact CB-CB 4.04Å; K22-P175 HydrophobicContact CB-CG 3.73Å; K22-P175 HydrophobicContact CD-CB 4.03Å; K22-P175 HydrophobicContact CD-CG 4.4Å; K22-P175 HydrophobicContact CG-CB 4.03Å; K22-P175 HydrophobicContact CG-CG 3.84Å
23R79.8Confident74.5Confident110 Ų11083 Ų8342%0.41540%0.396SS..Hα-helixtrans-59.2-48.3173.4171.7-175.1162.7134.521111.2D19 I21 Q25 C26 L27 F250D19-R23 WeakPolarHBondContact O-CB 3.38Å; D19-R23 PolarHBondContact O-N 2.8Å; I21-R23 VanDerWaalsContact C-N 3.33Å; I21-R23 PolarHBondContact O-N 2.64Å; R23-Q25 VanDerWaalsContact C-N 3.32Å; R23-Q25 PolarHBondContact O-N 3.31Å; R23-C26 PolarHBondContact O-N 3.47Å; R23-L27 HydrophobicContact CG-CD1 3.87Å; R23-L27 WeakPolarHBondContact O-CB 3.49Å; R23-L27 WeakPolarHBondContact O-CD1 3.2Å; R23-L27 VanDerWaalsContact O-CG 3.28Å; R23-L27 WeakPolarHBondContact O-CG 3.13Å; R23-L27 PolarHBondContact O-N 3.36Å; R23-F250 HydrophobicContact CG-CD1 3.54Å; R23-F250 HydrophobicContact CG-CE1 3.96Å; R23-F250 VanDerWaalsContact NH2-CB 3.35Å; R23-F250 VanDerWaalsContact NH2-CG 3.31Å
24K84.1Confident76.8Confident140 Ų14078.8 Ų78.861%0.60937%0.372SS*.Hα-helixtrans-60.1-42177.7-171.6179.3179.4-177.90111.4G20 I21 L27 Q28G20-K24 WeakPolarHBondContact O-CB 3.37Å; G20-K24 PolarHBondContact O-N 2.76Å; I21-K24 WeakPolarHBondContact O-CB 3.43Å; I21-K24 PolarHBondContact O-N 2.7Å; I21-K24 VanDerWaalsContact O-N 3.17Å; K24-L27 PolarHBondContact O-N 2.8Å; K24-Q28 WeakPolarHBondContact O-CB 3.41Å; K24-Q28 PolarHBondContact O-N 3.41Å
25Q84.3Confident79.2Confident69 Ų6976.2 Ų76.232%0.32236%0.362SS..Hα-helixtrans-63.2-47.4175.2-72.7175.6-17.500112.5I21 K22 R23 L27 Q28 Y29 F144 P173I21-Q25 WeakPolarHBondContact O-CG 3.43Å; I21-Q25 PolarHBondContact O-N 2.99Å; K22-Q25 PolarHBondContact O-N 2.89Å; R23-Q25 VanDerWaalsContact C-N 3.32Å; R23-Q25 PolarHBondContact O-N 3.31Å; Q25-L27 VanDerWaalsContact C-N 3.29Å; Q25-L27 PolarHBondContact O-N 3.02Å; Q25-Q28 PolarHBondContact O-N 3.3Å; Q25-Y29 WeakPolarHBondContact O-CB 3.35Å; Q25-Y29 PolarHBondContact O-N 3.44Å; Q25-F144 HydrophobicContact CG-CE1 4.25Å; Q25-P173 HydrophobicContact CB-CB 4.43Å
26C86.5Confident81.5Confident3 Ų366.4 Ų66.42%0.0233%0.327CS..Hα-helixtrans-59.6-41.5175.3-64.50000111.2K22 R23 Y29 L30 C176K22-C26 PolarHBondContact O-N 2.9Å; K22-C26 PolarHBondContact O-SG 2.77Å; R23-C26 PolarHBondContact O-N 3.47Å; C26-Y29 PolarHBondContact O-N 3.13Å; C26-L30 WeakPolarHBondContact O-CB 3.37Å; C26-L30 VanDerWaalsContact O-CG 3.25Å; C26-L30 WeakPolarHBondContact O-CG 3.34Å; C26-L30 PolarHBondContact O-N 2.92Å; C26-C176 WeakPolarHBondContact CA-SG 3.36Å; C26-C176 HydrophobicContact CB-CB 4.22Å; C26-C176 WeakPolarHBondContact CB-SG 2.98Å; C26-C176 WeakPolarHBondContact SG-CB 3.3Å; C26-C176 CovalentContact SG-SG 2.03Å; C26-C176 PolarHBondContact SG-SG 3.1Å
27L88.8Confident83.5Confident18 Ų1867.3 Ų67.39%0.09433%0.327CS..Hα-helixtrans-67.2-42.7179.5-71.9162.9000112.6R23 K24 Q25 L30 K31 Y246 F250R23-L27 HydrophobicContact CG-CD1 3.87Å; R23-L27 WeakPolarHBondContact O-CB 3.49Å; R23-L27 WeakPolarHBondContact O-CD1 3.2Å; R23-L27 VanDerWaalsContact O-CG 3.28Å; R23-L27 WeakPolarHBondContact O-CG 3.13Å; R23-L27 PolarHBondContact O-N 3.36Å; K24-L27 PolarHBondContact O-N 2.8Å; Q25-L27 VanDerWaalsContact C-N 3.29Å; Q25-L27 PolarHBondContact O-N 3.02Å; L27-L30 PolarHBondContact O-N 2.94Å; L27-K31 WeakPolarHBondContact O-CB 3.42Å; L27-K31 VanDerWaalsContact O-CG 3.31Å; L27-K31 WeakPolarHBondContact O-CG 3.43Å; L27-K31 PolarHBondContact O-N 3.17Å; L27-Y246 WeakPolarHBondContact CD2-O 3.33Å; L27-F250 HydrophobicContact CD1-CB 3.53Å; L27-F250 HydrophobicContact CD1-CD1 4.47Å; L27-F250 HydrophobicContact CD1-CG 4.44Å; L27-F250 HydrophobicContact CD2-CB 3.6Å; L27-F250 HydrophobicContact CG-CB 4.1Å
28Q90.4Very high85.8Confident111 Ų11167.9 Ų67.952%0.51932%0.323SS..Hα-helixtrans-60.5-48176-17266.812.200110.4K24 Q25 L30 K31 T32K24-Q28 WeakPolarHBondContact O-CB 3.41Å; K24-Q28 PolarHBondContact O-N 3.41Å; Q25-Q28 PolarHBondContact O-N 3.3Å; Q28-L30 VanDerWaalsContact C-N 3.35Å; Q28-L30 PolarHBondContact O-N 2.89Å; Q28-K31 PolarHBondContact O-N 3.39Å; Q28-T32 PolarHBondContact O-N 3.21Å; Q28-T32 PolarHBondContact O-OG1 3.32Å; Q28-T32 VanDerWaalsContact O-OG1 3.05Å
29Y92.4Very high87.8Confident10 Ų1066.5 Ų66.54%0.03932%0.322CS..Hα-helixtrans-54.6-49.1174.3163.5-94000111.9Q25 C26 K31 T32 L33 V122 L170 S171 L172 P173 L179Q25-Y29 WeakPolarHBondContact O-CB 3.35Å; Q25-Y29 PolarHBondContact O-N 3.44Å; C26-Y29 PolarHBondContact O-N 3.13Å; Y29-K31 PolarHBondContact O-N 3.19Å; Y29-T32 PolarHBondContact O-N 2.99Å; Y29-L33 HydrophobicContact CE1-CD2 4.14Å; Y29-L33 VanDerWaalsContact O-CB 3.32Å; Y29-L33 WeakPolarHBondContact O-CB 3.39Å; Y29-L33 PolarHBondContact O-N 3.17Å; Y29-V122 HydrophobicContact CE2-CG1 4.27Å; Y29-V122 WeakPolarHBondContact OH-CG1 3.35Å; Y29-L170 HydrophobicContact CD2-CD1 4.24Å; Y29-L170 HydrophobicContact CD2-CD2 3.66Å; Y29-L170 HydrophobicContact CD2-CG 3.77Å; Y29-L170 HydrophobicContact CE2-CD2 3.36Å; Y29-L170 HydrophobicContact CE2-CG 3.65Å; Y29-S171 WeakPolarHBondContact CD2-O 3.36Å; Y29-L172 HydrophobicContact CD1-CD1 4.25Å; Y29-L172 HydrophobicContact CD2-CD1 4.5Å; Y29-L172 HydrophobicContact CE1-CD1 3.68Å; Y29-L172 HydrophobicContact CE2-CB 4.44Å; Y29-L172 HydrophobicContact CE2-CD1 3.92Å; Y29-L172 VanDerWaalsContact CZ-CD1 3.5Å; Y29-P173 HydrophobicContact CG-CG 4.13Å; Y29-L179 HydrophobicContact CD1-CD1 4.15Å; Y29-L179 HydrophobicContact CE1-CD1 4.01Å
30L93.4Very high89.3Confident2 Ų265.5 Ų65.51%0.0133%0.328CS..Hα-helixtrans-65.2-39.2-179.4-74.1173.6000112.6C26 L27 Q28 L33 R34 L179 E243 Y246 L247C26-L30 WeakPolarHBondContact O-CB 3.37Å; C26-L30 VanDerWaalsContact O-CG 3.25Å; C26-L30 WeakPolarHBondContact O-CG 3.34Å; C26-L30 PolarHBondContact O-N 2.92Å; L27-L30 PolarHBondContact O-N 2.94Å; Q28-L30 VanDerWaalsContact C-N 3.35Å; Q28-L30 PolarHBondContact O-N 2.89Å; L30-L33 PolarHBondContact O-N 2.95Å; L30-R34 WeakPolarHBondContact O-CB 3.43Å; L30-R34 VanDerWaalsContact O-CG 3.3Å; L30-R34 WeakPolarHBondContact O-CG 3.44Å; L30-R34 PolarHBondContact O-N 3.01Å; L30-L179 HydrophobicContact CD1-CD1 4.28Å; L30-L179 HydrophobicContact CD2-CD1 3.86Å; L30-L179 HydrophobicContact CG-CD1 4.12Å; L30-E243 HydrophobicContact CD2-CB 3.88Å; L30-E243 HydrophobicContact CD2-CG 3.65Å; L30-Y246 HydrophobicContact CD1-CG 4.14Å; L30-L247 HydrophobicContact CB-CD2 3.92Å; L30-L247 HydrophobicContact CB-CG 4.2Å; L30-L247 HydrophobicContact CD1-CG 4.39Å
31K93.9Very high90.5Very high84 Ų8464.9 Ų64.937%0.36531%0.313SS..Hα-helixtrans-63.5-49.5175.4-75.1-179.6178.8-171.20110.2L27 Q28 Y29 L33 R34 T35 L247L27-K31 WeakPolarHBondContact O-CB 3.42Å; L27-K31 VanDerWaalsContact O-CG 3.31Å; L27-K31 WeakPolarHBondContact O-CG 3.43Å; L27-K31 PolarHBondContact O-N 3.17Å; Q28-K31 PolarHBondContact O-N 3.39Å; Y29-K31 PolarHBondContact O-N 3.19Å; K31-L33 PolarHBondContact O-N 2.91Å; K31-R34 PolarHBondContact O-N 3.33Å; K31-T35 PolarHBondContact O-N 2.93Å; K31-T35 PolarHBondContact O-OG1 3.26Å; K31-T35 VanDerWaalsContact O-OG1 3.07Å; K31-L247 HydrophobicContact CG-CD2 4.2Å
32T95Very high91.6Very high49 Ų4965.5 Ų65.530%0.30131%0.312SS..Hα-helixtrans-58.1-46.6175.5-58.10000111.8Q28 Y29 R34 T35 L36 L170Q28-T32 PolarHBondContact O-N 3.21Å; Q28-T32 PolarHBondContact O-OG1 3.32Å; Q28-T32 VanDerWaalsContact O-OG1 3.05Å; Y29-T32 PolarHBondContact O-N 2.99Å; T32-R34 VanDerWaalsContact C-N 3.33Å; T32-R34 PolarHBondContact O-N 3.2Å; T32-T35 PolarHBondContact O-N 2.92Å; T32-L36 HydrophobicContact CG2-CD1 4.17Å; T32-L36 WeakPolarHBondContact O-CG 3.49Å; T32-L36 PolarHBondContact O-N 2.94Å; T32-L170 HydrophobicContact CG2-CD1 3.9Å
33L95Very high92.6Very high1 Ų162.3 Ų62.31%0.00530%0.299CS..Hα-helixtrans-59.3-43.6177.3-179.961.9000111.6Y29 L30 K31 Q37 T43 V120 V122 L170Y29-L33 HydrophobicContact CE1-CD2 4.14Å; Y29-L33 VanDerWaalsContact O-CB 3.32Å; Y29-L33 WeakPolarHBondContact O-CB 3.39Å; Y29-L33 PolarHBondContact O-N 3.17Å; L30-L33 PolarHBondContact O-N 2.95Å; K31-L33 PolarHBondContact O-N 2.91Å; L33-Q37 WeakPolarHBondContact O-CB 3.34Å; L33-Q37 VanDerWaalsContact O-CG 3.23Å; L33-Q37 WeakPolarHBondContact O-CG 3.39Å; L33-Q37 PolarHBondContact O-N 2.91Å; L33-T43 HydrophobicContact CD1-CG2 4.06Å; L33-V120 HydrophobicContact CD1-CG1 3.69Å; L33-V120 HydrophobicContact CD1-CG2 4.19Å; L33-V122 HydrophobicContact CD1-CG2 4.25Å; L33-L170 HydrophobicContact CB-CD2 3.87Å; L33-L170 HydrophobicContact CD1-CD2 4.05Å
34R94.9Very high93.4Very high44 Ų4457 Ų5717%0.16628%0.28CS..Hα-helixtrans-65.6-43.2177.1-76.8-72.7-176.2-123.3-7.3112L30 K31 T32 Q37 Y38 E243 N244 L247L30-R34 WeakPolarHBondContact O-CB 3.43Å; L30-R34 VanDerWaalsContact O-CG 3.3Å; L30-R34 WeakPolarHBondContact O-CG 3.44Å; L30-R34 PolarHBondContact O-N 3.01Å; K31-R34 PolarHBondContact O-N 3.33Å; T32-R34 VanDerWaalsContact C-N 3.33Å; T32-R34 PolarHBondContact O-N 3.2Å; R34-Q37 WeakPolarHBondContact O-CB 3.44Å; R34-Q37 PolarHBondContact O-N 3.38Å; R34-Y38 HydrophobicContact CB-CE2 4.21Å; R34-Y38 WeakPolarHBondContact O-CD2 3.44Å; R34-Y38 PolarHBondContact O-N 3.41Å; R34-E243 IonicContact CZ-OE2 2.77Å; R34-E243 IonicContact NH1-OE2 2.72Å; R34-E243 IonicContact NH2-OE2 3.6Å; R34-E243 PolarHBondContact NH2-OE2 2.85Å; R34-N244 PolarHBondContact NH2-OD1 3.3Å; R34-L247 HydrophobicContact CG-CD1 3.74Å
35T96.1Very high94Very high77 Ų7751.1 Ų51.147%0.47225%0.253SS..Hα-helixtrans-56.8-50.9175.4-58.10000110.9K31 T32 Q37 Y38 D39K31-T35 PolarHBondContact O-N 2.93Å; K31-T35 PolarHBondContact O-OG1 3.26Å; K31-T35 VanDerWaalsContact O-OG1 3.07Å; T32-T35 PolarHBondContact O-N 2.92Å; T35-Q37 VanDerWaalsContact C-N 3.29Å; T35-Q37 PolarHBondContact O-N 2.8Å; T35-Y38 WeakPolarHBondContact O-CA 3.28Å; T35-Y38 WeakPolarHBondContact O-CB 3.48Å; T35-Y38 PolarHBondContact O-N 3.33Å; T35-D39 PolarHBondContact O-N 3.46Å
36L96.1Very high94.5Very high24 Ų2447.8 Ų47.813%0.12624%0.238CC..Hα-helixtrans-59.4-40177-68.9170.3000112.1T32 Y38 D39 G40 F41 V120 E168T32-L36 HydrophobicContact CG2-CD1 4.17Å; T32-L36 WeakPolarHBondContact O-CG 3.49Å; T32-L36 PolarHBondContact O-N 2.94Å; L36-Y38 VanDerWaalsContact C-N 3.34Å; L36-Y38 PolarHBondContact O-N 2.72Å; L36-D39 CarbonylContact O-C 3.53Å; L36-D39 PolarHBondContact O-N 3.44Å; L36-G40 PolarHBondContact O-N 3.46Å; L36-F41 HydrophobicContact CB-CB 4.28Å; L36-F41 HydrophobicContact CB-CD2 4.42Å; L36-F41 HydrophobicContact CB-CG 4.47Å; L36-F41 HydrophobicContact CD2-CD2 4.2Å; L36-F41 HydrophobicContact CD2-CE2 4.23Å; L36-F41 VanDerWaalsContact O-CB 3.28Å; L36-F41 WeakPolarHBondContact O-CB 3.35Å; L36-F41 VanDerWaalsContact O-CD2 3.3Å; L36-F41 WeakPolarHBondContact O-CD2 3.37Å; L36-F41 PolarHBondContact O-N 2.85Å; L36-V120 HydrophobicContact CB-CB 4.38Å; L36-V120 HydrophobicContact CD1-CB 4.03Å; L36-V120 HydrophobicContact CD1-CG2 3.58Å; L36-E168 HydrophobicContact CD1-CB 4.22Å; L36-E168 HydrophobicContact CD2-CB 4.19Å; L36-E168 HydrophobicContact CD2-CG 3.94Å
37Q94.8Very high94.8Very high55 Ų5547.8 Ų47.826%0.25724%0.239SC..Hα-helixtrans-63.7-38.1174.9-73.9169.8-11.300112.7L33 R34 T35 D39 G40 T43L33-Q37 WeakPolarHBondContact O-CB 3.34Å; L33-Q37 VanDerWaalsContact O-CG 3.23Å; L33-Q37 WeakPolarHBondContact O-CG 3.39Å; L33-Q37 PolarHBondContact O-N 2.91Å; R34-Q37 WeakPolarHBondContact O-CB 3.44Å; R34-Q37 PolarHBondContact O-N 3.38Å; T35-Q37 VanDerWaalsContact C-N 3.29Å; T35-Q37 PolarHBondContact O-N 2.8Å; Q37-D39 VanDerWaalsContact C-N 3.33Å; Q37-G40 PolarHBondContact O-N 3.3Å; Q37-T43 PolarHBondContact NE2-OG1 3.05Å
38Y95.7Very high94.9Very high195 Ų19548.9 Ų48.977%0.76524%0.243SC*.Hα-helixtrans-66.1-35.7173.8-72.3-58000112R34 T35 L36 G40R34-Y38 HydrophobicContact CB-CE2 4.21Å; R34-Y38 WeakPolarHBondContact O-CD2 3.44Å; R34-Y38 PolarHBondContact O-N 3.41Å; T35-Y38 WeakPolarHBondContact O-CA 3.28Å; T35-Y38 WeakPolarHBondContact O-CB 3.48Å; T35-Y38 PolarHBondContact O-N 3.33Å; L36-Y38 VanDerWaalsContact C-N 3.34Å; L36-Y38 PolarHBondContact O-N 2.72Å; Y38-G40 PolarHBondContact O-N 2.98Å; Y38-G40 VanDerWaalsContact O-N 3.1Å
39D96.5Very high95Very high107 Ų10744.3 Ų44.357%0.57222%0.223SC*.THydrogen-bonded Turntrans-72.64.7173.9-61.2-25.3000113.1T35 L36 Q37 F41T35-D39 PolarHBondContact O-N 3.46Å; L36-D39 CarbonylContact O-C 3.53Å; L36-D39 PolarHBondContact O-N 3.44Å; Q37-D39 VanDerWaalsContact C-N 3.33Å; D39-F41 HydrophobicContact CB-CD2 3.94Å; D39-F41 HydrophobicContact CB-CE2 4.06Å
40G95.6Very high95Very high48 Ų4846.3 Ų46.350%0.49523%0.234SC..THydrogen-bonded Turntrans92.12.9173.400000115L36 Q37 Y38 K42L36-G40 PolarHBondContact O-N 3.46Å; Q37-G40 PolarHBondContact O-N 3.3Å; Y38-G40 PolarHBondContact O-N 2.98Å; Y38-G40 VanDerWaalsContact O-N 3.1Å; G40-K42 PolarHBondContact O-N 2.99Å
41F97.3Very high94.9Very high31 Ų3146.2 Ų46.214%0.13623%0.234CC..PPolyproline II helixtrans-70.8129.1178.1-68.7-104.6000111.2L36 D39 K118 C119 V120 E168L36-F41 HydrophobicContact CB-CB 4.28Å; L36-F41 HydrophobicContact CB-CD2 4.42Å; L36-F41 HydrophobicContact CB-CG 4.47Å; L36-F41 HydrophobicContact CD2-CD2 4.2Å; L36-F41 HydrophobicContact CD2-CE2 4.23Å; L36-F41 VanDerWaalsContact O-CB 3.28Å; L36-F41 WeakPolarHBondContact O-CB 3.35Å; L36-F41 VanDerWaalsContact O-CD2 3.3Å; L36-F41 WeakPolarHBondContact O-CD2 3.37Å; L36-F41 PolarHBondContact O-N 2.85Å; D39-F41 HydrophobicContact CB-CD2 3.94Å; D39-F41 HydrophobicContact CB-CE2 4.06Å; F41-K118 HydrophobicContact CD1-CB 3.97Å; F41-K118 HydrophobicContact CE1-CB 4.09Å; F41-K118 HydrophobicContact CG-CB 4.48Å; F41-C119 WeakPolarHBondContact CD1-O 3.27Å; F41-V120 HydrophobicContact CB-CB 4.33Å; F41-V120 HydrophobicContact CB-CG1 4.34Å; F41-E168 HydrophobicContact CD1-CB 4.49Å; F41-E168 HydrophobicContact CD1-CG 4.4Å; F41-E168 HydrophobicContact CE1-CB 4.21Å; F41-E168 HydrophobicContact CE1-CG 3.7Å; F41-E168 HydrophobicContact CZ-CG 3.91Å
42K96.9Very high94.7Very high112 Ų11243.9 Ų43.949%0.48723%0.228SC..EExtended strand (participates in β ladder)trans-79.4135.6170.9-58.8-58-177.1-173.20110.5G40 K118 C119 V120G40-K42 PolarHBondContact O-N 2.99Å; K42-K118 PolarHBondContact N-O 2.88Å; K42-C119 CarbonylContact O-C 3.58Å; K42-C119 WeakPolarHBondContact O-CA 3.38Å; K42-C119 VanDerWaalsContact O-CB 3.23Å; K42-C119 WeakPolarHBondContact O-CB 3Å; K42-V120 PolarHBondContact O-N 2.68Å
43T96.9Very high94.4Very high18 Ų1845.2 Ų45.211%0.1123%0.231CC..EExtended strand (participates in β ladder)trans-79.8127.6176.8-52.10000111L33 Q37 Y45 G79 V120 V122L33-T43 HydrophobicContact CD1-CG2 4.06Å; Q37-T43 PolarHBondContact NE2-OG1 3.05Å; T43-Y45 HydrophobicContact CG2-CD2 4.33Å; T43-Y45 HydrophobicContact CG2-CE1 4.36Å; T43-Y45 HydrophobicContact CG2-CE2 3.76Å; T43-G79 WeakPolarHBondContact O-CA 3.5Å; T43-V120 HydrophobicContact CG2-CG1 4.24Å; T43-V120 WeakPolarHBondContact OG1-CG1 3.28Å; T43-V122 HydrophobicContact CG2-CG2 3.87Å
44V97.5Very high94.1Very high0 Ų046.1 Ų46.10%024%0.237CC..EExtended strand (participates in β ladder)trans-125.5125.3171.1174.10000107.7A77 V84 F108 V112 C119 V120 I121 V122V44-A77 HydrophobicContact CG1-CB 3.91Å; V44-V84 HydrophobicContact CG1-CG1 3.9Å; V44-V84 HydrophobicContact CG2-CG1 4.48Å; V44-F108 HydrophobicContact CG1-CE2 4.44Å; V44-F108 HydrophobicContact CG1-CZ 3.91Å; V44-V112 HydrophobicContact CG2-CG1 3.87Å; V44-C119 HydrophobicContact CG2-CB 4.24Å; V44-V120 PolarHBondContact N-O 3.36Å; V44-I121 CarbonylContact O-C 3.55Å; V44-I121 WeakPolarHBondContact O-CA 3.08Å; V44-V122 PolarHBondContact O-N 2.9Å
45Y96.2Very high93.8Very high15 Ų1546 Ų466%0.05924%0.239CC..EExtended strand (participates in β ladder)trans-90.5128.1173.1-60-89.8000108.1T43 A77 A78 V122 P181 W232T43-Y45 HydrophobicContact CG2-CD2 4.33Å; T43-Y45 HydrophobicContact CG2-CE1 4.36Å; T43-Y45 HydrophobicContact CG2-CE2 3.76Å; Y45-A77 CarbonylContact O-C 3.5Å; Y45-A77 WeakPolarHBondContact O-CA 3.47Å; Y45-A77 VanDerWaalsContact O-CB 3.28Å; Y45-A77 WeakPolarHBondContact O-CB 3.16Å; Y45-A78 PolarHBondContact N-O 3.41Å; Y45-A78 PolarHBondContact O-N 3.43Å; Y45-V122 WeakPolarHBondContact CA-O 3.1Å; Y45-V122 HydrophobicContact CD1-CB 3.75Å; Y45-V122 HydrophobicContact CD1-CG1 3.79Å; Y45-V122 HydrophobicContact CD1-CG2 4.37Å; Y45-V122 HydrophobicContact CE1-CB 4.12Å; Y45-V122 HydrophobicContact CE1-CG1 4.02Å; Y45-V122 HydrophobicContact CE1-CG2 4.31Å; Y45-V122 HydrophobicContact CG-CB 4.48Å; Y45-P181 HydrophobicContact CD1-CG 4.3Å; Y45-P181 HydrophobicContact CD2-CG 3.51Å; Y45-P181 VanDerWaalsContact CE1-CD 3.49Å; Y45-P181 HydrophobicContact CE1-CG 4.29Å; Y45-P181 HydrophobicContact CE2-CG 3.5Å; Y45-P181 HydrophobicContact CG-CG 3.92Å; Y45-P181 VanDerWaalsContact CZ-CD 3.49Å; Y45-W232 HydrophobicContact CD2-CZ2 4.46Å
46F95.4Very high93.6Very high0 Ų042.7 Ų42.70%022%0.219CC..EExtended strand (participates in β ladder)trans-120.7130.2177-175.4-127.3000109.1V75 H76 A77 W86 F105 F108 I121 V122 V123 L152 I155F46-V75 HydrophobicContact CD2-CG1 4.46Å; F46-V75 HydrophobicContact CE2-CG1 3.65Å; F46-V75 HydrophobicContact CZ-CG1 3.69Å; F46-H76 WeakPolarHBondContact CD2-O 3.43Å; F46-A77 HydrophobicContact CB-CB 4.27Å; F46-A77 HydrophobicContact CD2-CB 3.66Å; F46-A77 HydrophobicContact CG-CB 4.44Å; F46-W86 HydrophobicContact CE2-CE3 4.43Å; F46-W86 HydrophobicContact CE2-CH2 4.13Å; F46-W86 AromaticContact CE2-CZ3 3.76Å; F46-W86 HydrophobicContact CE2-CZ3 3.76Å; F46-W86 HydrophobicContact CZ-CH2 4.39Å; F46-W86 HydrophobicContact CZ-CZ3 4.46Å; F46-F105 HydrophobicContact CD1-CD2 4.49Å; F46-F105 HydrophobicContact CD1-CE2 4.33Å; F46-F105 HydrophobicContact CE1-CD2 4.02Å; F46-F105 HydrophobicContact CE1-CE2 4.32Å; F46-F108 HydrophobicContact CB-CE1 4.34Å; F46-F108 HydrophobicContact CB-CZ 4.12Å; F46-F108 HydrophobicContact CD1-CE1 4.4Å; F46-F108 HydrophobicContact CD2-CD2 4.39Å; F46-F108 HydrophobicContact CD2-CE1 4.24Å; F46-F108 HydrophobicContact CD2-CE2 4.04Å; F46-F108 AromaticContact CD2-CZ 3.95Å; F46-F108 HydrophobicContact CD2-CZ 3.95Å; F46-F108 HydrophobicContact CE2-CD2 4.26Å; F46-F108 HydrophobicContact CE2-CE2 4.37Å; F46-F108 HydrophobicContact CE2-CG 4.35Å; F46-F108 HydrophobicContact CG-CE1 4.1Å; F46-F108 HydrophobicContact CG-CZ 4.08Å; F46-I121 HydrophobicContact CB-CG2 3.86Å; F46-V122 PolarHBondContact N-O 3.34Å; F46-V123 HydrophobicContact CB-CG1 4.05Å; F46-V123 HydrophobicContact CD1-CG1 3.92Å; F46-V123 HydrophobicContact CG-CG1 4.48Å; F46-L152 HydrophobicContact CD1-CD1 3.63Å; F46-L152 HydrophobicContact CE1-CD1 3.46Å; F46-L152 VanDerWaalsContact CE1-CD1 3.46Å; F46-L152 HydrophobicContact CG-CD1 4.39Å; F46-L152 HydrophobicContact CZ-CD1 4.12Å; F46-I155 HydrophobicContact CE1-CG2 4.37Å; F46-I155 HydrophobicContact CZ-CD1 3.98Å
47G92.6Very high93.2Very high3 Ų343.6 Ų43.63%0.03123%0.226CC..EExtended strand (participates in β ladder)trans-175177.6-176.200000113.5H76G47-H76 PolarHBondContact N-O 3.17Å; G47-H76 VanDerWaalsContact N-O 3.07Å; G47-H76 PolarHBondContact O-N 2.83Å
48E91.4Very high92.7Very high40 Ų4042.5 Ų42.519%0.18723%0.229CC..EExtended strand (participates in β ladder)trans-130.1162.2-171.669.3-172.2-178.900111.9C73 I74 V75 A153 S154E48-C73 PolarHBondContact OE2-SG 3.44Å; E48-C73 VanDerWaalsContact OE2-SG 3.37Å; E48-I74 CarbonylContact C-O 3.47Å; E48-I74 WeakPolarHBondContact CA-O 3.37Å; E48-I74 WeakPolarHBondContact CB-O 3.43Å; E48-V75 HydrophobicContact CB-CB 4.47Å; E48-V75 HydrophobicContact CB-CG1 4.45Å; E48-V75 HydrophobicContact CB-CG2 3.96Å; E48-A153 VanDerWaalsContact CD-N 3.3Å; E48-A153 WeakPolarHBondContact OE1-CA 3.24Å; E48-A153 WeakPolarHBondContact OE1-CB 3.25Å; E48-A153 PolarHBondContact OE1-N 3.38Å; E48-A153 PolarHBondContact OE2-N 2.94Å; E48-A153 VanDerWaalsContact OE2-N 3.14Å; E48-S154 PolarHBondContact OE2-N 3.05Å; E48-S154 PolarHBondContact OE2-OG 2.94Å
49T91.8Very high92Very high15 Ų1539.3 Ų39.39%0.09222%0.221CC..EExtended strand (participates in β ladder)trans-143143.2171.2-159.60000111.2I51 I74 W186 K190T49-I51 HydrophobicContact CG2-CD1 4.32Å; T49-I74 HydrophobicContact CG2-CB 4.22Å; T49-I74 PolarHBondContact N-O 3.17Å; T49-I74 PolarHBondContact O-N 3.46Å; T49-W186 HydrophobicContact CG2-CB 4.12Å; T49-W186 HydrophobicContact CG2-CD2 3.88Å; T49-W186 HydrophobicContact CG2-CE3 4.16Å; T49-W186 HydrophobicContact CG2-CG 3.88Å; T49-K190 VanDerWaalsContact OG1-CE 3.28Å; T49-K190 WeakPolarHBondContact OG1-CE 3.41Å
50N91.5Very high90.5Very high53 Ų5341.2 Ų41.228%0.28323%0.231SC..EExtended strand (participates in β ladder)trans-92.8133.7176.5-67.9-25.6000110.7T71 W72 K190N50-T71 HydrophobicContact CB-CG2 3.71Å; N50-W72 CarbonylContact C-O 3.56Å; N50-W72 WeakPolarHBondContact CA-O 3.2Å; N50-K190 WeakPolarHBondContact O-CE 3.34Å; N50-K190 PolarHBondContact O-NZ 3.3Å
51I91.6Very high88.8Confident0 Ų043.2 Ų43.20%023%0.23CC..EExtended strand (participates in β ladder)trans-120.6107.4174.9-56.9-57.7000107T49 L55 V56 W72 I74 K190 I193 F216T49-I51 HydrophobicContact CG2-CD1 4.32Å; I51-L55 HydrophobicContact CD1-CD2 4.09Å; I51-L55 HydrophobicContact CG2-CD2 4.24Å; I51-V56 HydrophobicContact CG2-CG2 3.39Å; I51-W72 HydrophobicContact CB-CB 4.43Å; I51-W72 PolarHBondContact N-O 2.85Å; I51-W72 PolarHBondContact O-N 2.93Å; I51-I74 HydrophobicContact CD1-CD1 4.46Å; I51-I74 HydrophobicContact CG1-CD1 3.53Å; I51-I74 HydrophobicContact CG1-CG1 4.27Å; I51-K190 HydrophobicContact CD1-CD 4.35Å; I51-K190 HydrophobicContact CD1-CG 3.62Å; I51-I193 HydrophobicContact CD1-CD1 3.79Å; I51-I193 HydrophobicContact CG1-CD1 4.26Å; I51-I193 HydrophobicContact CG2-CD1 4.11Å; I51-F216 HydrophobicContact CB-CZ 4.38Å; I51-F216 HydrophobicContact CG2-CE2 3.97Å; I51-F216 HydrophobicContact CG2-CZ 3.89Å
52S90.4Very high86.9Confident34 Ų3446.4 Ų46.424%0.23826%0.256CS..EExtended strand (participates in β ladder)trans-72149.5173.158.70000110S54 L55 V56S52-S54 PolarHBondContact O-N 2.88Å; S52-S54 PolarHBondContact OG-OG 2.8Å; S52-L55 VanDerWaalsContact O-CB 3.29Å; S52-L55 WeakPolarHBondContact O-CB 3.45Å; S52-L55 PolarHBondContact O-N 3.49Å; S52-L55 PolarHBondContact OG-N 3.4Å; S52-V56 PolarHBondContact O-N 3.5Å
53E88.6Confident84.6Confident78 Ų7847.6 Ų47.636%0.36427%0.268SS..Hα-helixtrans-55-41.9171.5-179.5169.9-154.400111.4L55 V56 T57 P70E53-L55 PolarHBondContact O-N 2.94Å; E53-V56 CarbonylContact O-C 3.58Å; E53-V56 WeakPolarHBondContact O-CA 3.39Å; E53-V56 WeakPolarHBondContact O-CB 3.31Å; E53-V56 PolarHBondContact O-N 3.22Å; E53-T57 HydrophobicContact CG-CG2 3.89Å; E53-T57 PolarHBondContact O-N 3.49Å; E53-T57 PolarHBondContact O-OG1 3.32Å; E53-P70 HydrophobicContact CB-CB 4.37Å; E53-P70 WeakPolarHBondContact CB-O 3.45Å; E53-P70 PolarHBondContact N-O 2.84Å; E53-P70 WeakPolarHBondContact OE2-CD 3.45Å; E53-P70 WeakPolarHBondContact OE2-CG 3.49Å
54S87.6Confident82.4Confident20 Ų2050 Ų5014%0.1430%0.296CS..Hα-helixtrans-56.9-32.6175.559.80000114.2S52 V56 G58S52-S54 PolarHBondContact O-N 2.88Å; S52-S54 PolarHBondContact OG-OG 2.8Å; S54-V56 VanDerWaalsContact C-N 3.26Å; S54-V56 PolarHBondContact O-N 3.04Å; S54-G58 VanDerWaalsContact O-CA 3.24Å; S54-G58 WeakPolarHBondContact O-CA 3.4Å; S54-G58 PolarHBondContact O-N 2.92Å
55L90Very high80.3Confident40 Ų4059.1 Ų59.121%0.20933%0.332CS..Hα-helixtrans-67.5-33.1174.8-172.573.9000111.4I51 S52 E53 K190 I194I51-L55 HydrophobicContact CD1-CD2 4.09Å; I51-L55 HydrophobicContact CG2-CD2 4.24Å; S52-L55 VanDerWaalsContact O-CB 3.29Å; S52-L55 WeakPolarHBondContact O-CB 3.45Å; S52-L55 PolarHBondContact O-N 3.49Å; S52-L55 PolarHBondContact OG-N 3.4Å; E53-L55 PolarHBondContact O-N 2.94Å; L55-K190 HydrophobicContact CD2-CB 4.06Å; L55-K190 HydrophobicContact CD2-CD 4.28Å; L55-K190 HydrophobicContact CD2-CG 3.84Å; L55-I194 HydrophobicContact CD1-CD1 3.74Å; L55-I194 HydrophobicContact CD1-CG1 3.72Å; L55-I194 HydrophobicContact CG-CG1 4.26Å
56V91Very high78.3Confident8 Ų868 Ų685%0.04837%0.371CS..Hα-helixtrans-84.2-45.5-175-177.20000110.7I51 S52 E53 S54 I193 R197 I214 F216 L219I51-V56 HydrophobicContact CG2-CG2 3.39Å; S52-V56 PolarHBondContact O-N 3.5Å; E53-V56 CarbonylContact O-C 3.58Å; E53-V56 WeakPolarHBondContact O-CA 3.39Å; E53-V56 WeakPolarHBondContact O-CB 3.31Å; E53-V56 PolarHBondContact O-N 3.22Å; S54-V56 VanDerWaalsContact C-N 3.26Å; S54-V56 PolarHBondContact O-N 3.04Å; V56-I193 HydrophobicContact CB-CG2 4.45Å; V56-I193 HydrophobicContact CG2-CG2 4.08Å; V56-R197 WeakPolarHBondContact O-CB 3.42Å; V56-R197 WeakPolarHBondContact O-CD 3.02Å; V56-I214 HydrophobicContact CG1-CB 4.48Å; V56-I214 HydrophobicContact CG1-CD1 3.82Å; V56-I214 HydrophobicContact CG1-CG2 3.94Å; V56-I214 WeakPolarHBondContact O-CD1 3.4Å; V56-F216 HydrophobicContact CB-CE2 4.45Å; V56-F216 HydrophobicContact CG1-CD2 3.79Å; V56-F216 HydrophobicContact CG1-CE2 4.11Å; V56-F216 HydrophobicContact CG2-CD2 4.02Å; V56-F216 HydrophobicContact CG2-CE2 3.46Å; V56-F216 VanDerWaalsContact CG2-CE2 3.46Å; V56-F216 HydrophobicContact CG2-CZ 4.23Å; V56-L219 HydrophobicContact CG1-CD2 4.23Å
57T88.4Confident76.5Confident44 Ų4474.1 Ų74.127%0.2740%0.402SS..Hα-helixtrans-74.9-33.8177.459.70000111.1E53 E59 R197 I214E53-T57 HydrophobicContact CG-CG2 3.89Å; E53-T57 PolarHBondContact O-N 3.49Å; E53-T57 PolarHBondContact O-OG1 3.32Å; T57-E59 VanDerWaalsContact C-N 3.34Å; T57-E59 WeakPolarHBondContact OG1-CG 3.43Å; T57-E59 PolarHBondContact OG1-N 2.84Å; T57-R197 PolarHBondContact O-NE 2.94Å; T57-I214 HydrophobicContact CG2-CD1 4.48Å
58G84.8Confident75.2Confident32 Ų3281.6 Ų81.633%0.3344%0.436SS..  trans76.323.6-174.100000113S54S54-G58 VanDerWaalsContact O-CA 3.24Å; S54-G58 WeakPolarHBondContact O-CA 3.4Å; S54-G58 PolarHBondContact O-N 2.92Å
59E80Confident74.3Confident127 Ų12781.1 Ų81.159%0.59344%0.436SS*.  trans-68.2128.4171.6-72.3173.9175.300110.7T57T57-E59 VanDerWaalsContact C-N 3.34Å; T57-E59 WeakPolarHBondContact OG1-CG 3.43Å; T57-E59 PolarHBondContact OG1-N 2.84Å
60D65.2Low73.9Confident147 Ų14782.6 Ų82.679%0.78645%0.446SS*.  trans-79.2117.6173.1-94.2-33000109.5S62D60-S62 PolarHBondContact O-N 2.88Å
61I59.6Low73.7Confident91 Ų9181.3 Ų81.347%0.46744%0.44SS..THydrogen-bonded Turntrans-79.533.8177.6-45.4165.8000110.1D63I61-D63 VanDerWaalsContact C-N 3.27Å; I61-D63 PolarHBondContact O-N 3Å
62S56.6Low73.7Confident97 Ų9784.8 Ų84.868%0.67845%0.453SS*.THydrogen-bonded Turntrans-73.4-20.3-177.954.80000113.1D60 G64D60-S62 PolarHBondContact O-N 2.88Å; S62-G64 VanDerWaalsContact C-N 3.35Å; S62-G64 PolarHBondContact O-N 3.42Å; S62-G64 VanDerWaalsContact O-N 3.1Å
63D49.7Very low73.7Confident137 Ų13783.2 Ų83.273%0.73344%0.442SS*.SBendtrans-88.267.4-178-82.8-7.4000112I61 Y65I61-D63 VanDerWaalsContact C-N 3.27Å; I61-D63 PolarHBondContact O-N 3Å; D63-Y65 WeakPolarHBondContact O-CD2 3.28Å; D63-Y65 PolarHBondContact O-N 3.3Å
64G50.6Low73.9Confident68 Ų6879.5 Ų79.570%0.70143%0.425SS*.SBendtrans53.1-15.1147.900000121.7S62S62-G64 VanDerWaalsContact C-N 3.35Å; S62-G64 PolarHBondContact O-N 3.42Å; S62-G64 VanDerWaalsContact O-N 3.1Å
65Y53.3Low74.1Confident193 Ų19378.6 Ų78.676%0.75742%0.418SS*.  trans-107.2102.2179.8-66.7-81.1000106.1D63 I67D63-Y65 WeakPolarHBondContact O-CD2 3.28Å; D63-Y65 PolarHBondContact O-N 3.3Å; Y65-I67 PolarHBondContact O-N 2.9Å
66F54.5Low74.4Confident202 Ų20277.1 Ų77.189%0.88641%0.41SS*.  trans-68.173.3169.4-72.9-89.6000109.1Q68F66-Q68 PolarHBondContact O-N 3.29Å
67I58.4Low74.6Confident128 Ų12876.7 Ų76.766%0.65641%0.408SS*.  trans-71.8115.5165.4-58.1178.5000105.2Y65 T69Y65-I67 PolarHBondContact O-N 2.9Å; I67-T69 PolarHBondContact O-N 3.37Å
68Q64.7Low75Confident159 Ų15974.6 Ų74.674%0.74340%0.395SS*.  trans-62108174.3-175.8167.3-20.800107.7F66F66-Q68 PolarHBondContact O-N 3.29Å
69T71.9Confident75.5Confident30 Ų3073.2 Ų73.218%0.18438%0.381CS..  trans-77.9139.7-178.846.20000110.2I67 T71I67-T69 PolarHBondContact O-N 3.37Å; T69-T71 PolarHBondContact O-N 3.38Å; T69-T71 PolarHBondContact O-OG1 3.17Å
70P84.7Confident75.9Confident47 Ų4771.1 Ų71.131%0.30538%0.38SS..  trans-40.5129168.8-33.736.2000111.7E53 L92E53-P70 HydrophobicContact CB-CB 4.37Å; E53-P70 WeakPolarHBondContact CB-O 3.45Å; E53-P70 PolarHBondContact N-O 2.84Å; E53-P70 WeakPolarHBondContact OE2-CD 3.45Å; E53-P70 WeakPolarHBondContact OE2-CG 3.49Å; P70-L92 HydrophobicContact CB-CD1 3.95Å
71T87.2Confident77.1Confident25 Ų2570.8 Ų70.815%0.15337%0.374CS..EExtended strand (participates in β ladder)trans-119.3122.9-179.6-63.60000109.9N50 T69 R93N50-T71 HydrophobicContact CB-CG2 3.71Å; T69-T71 PolarHBondContact O-N 3.38Å; T69-T71 PolarHBondContact O-OG1 3.17Å; T71-R93 WeakPolarHBondContact O-CB 3.36Å; T71-R93 PolarHBondContact O-N 2.86Å
72W90Very high78.8Confident74 Ų7466.6 Ų66.628%0.2835%0.353SS..EExtended strand (participates in β ladder)trans-88.8129.7174.4-63.391.4000110.4N50 I51 M90 F91 L92 F216N50-W72 CarbonylContact C-O 3.56Å; N50-W72 WeakPolarHBondContact CA-O 3.2Å; I51-W72 HydrophobicContact CB-CB 4.43Å; I51-W72 PolarHBondContact N-O 2.85Å; I51-W72 PolarHBondContact O-N 2.93Å; W72-M90 HydrophobicContact CE3-CE 3.95Å; W72-M90 HydrophobicContact CE3-CG 3.75Å; W72-M90 HydrophobicContact CE3-SD 4.12Å; W72-M90 HydrophobicContact CZ3-CE 3.88Å; W72-M90 HydrophobicContact CZ3-CG 4.39Å; W72-F91 CarbonylContact C-O 3.57Å; W72-F91 WeakPolarHBondContact CA-O 3.47Å; W72-L92 HydrophobicContact CD2-CD1 4.02Å; W72-L92 HydrophobicContact CE3-CB 4.04Å; W72-L92 HydrophobicContact CE3-CD1 4.35Å; W72-L92 HydrophobicContact CG-CD1 4.42Å; W72-L92 HydrophobicContact CH2-CB 4.23Å; W72-L92 HydrophobicContact CZ2-CD1 4.22Å; W72-L92 HydrophobicContact CZ3-CB 3.87Å; W72-F216 HydrophobicContact CB-CE1 3.87Å; W72-F216 HydrophobicContact CB-CZ 4Å; W72-F216 AromaticContact CD1-CE1 3.6Å; W72-F216 AromaticContact CD1-CZ 3.91Å; W72-F216 HydrophobicContact CD2-CD1 4.32Å; W72-F216 AromaticContact CD2-CE1 3.68Å; W72-F216 HydrophobicContact CD2-CE1 3.68Å; W72-F216 AromaticContact CE2-CE1 3.97Å; W72-F216 HydrophobicContact CE3-CE1 4.36Å; W72-F216 HydrophobicContact CG-CD1 4.41Å; W72-F216 AromaticContact CG-CE1 3.42Å; W72-F216 HydrophobicContact CG-CE1 3.42Å; W72-F216 VanDerWaalsContact CG-CE1 3.42Å; W72-F216 AromaticContact CG-CZ 3.9Å; W72-F216 HydrophobicContact CG-CZ 3.9Å; W72-F216 AromaticContact NE1-CE1 3.91Å
73C90.4Very high80.7Confident1 Ų164.2 Ų64.21%0.00733%0.329CS..EExtended strand (participates in β ladder)trans-97120.3170.2-1750000109.2E48 M90 F91E48-C73 PolarHBondContact OE2-SG 3.44Å; E48-C73 VanDerWaalsContact OE2-SG 3.37Å; C73-M90 CarbonylContact O-C 3.35Å; C73-M90 VanDerWaalsContact O-CA 3.31Å; C73-M90 WeakPolarHBondContact O-CA 3.47Å; C73-F91 PolarHBondContact N-O 3.24Å; C73-F91 PolarHBondContact O-N 3.46Å
74I92.6Very high82.9Confident0 Ų057.9 Ų57.90%030%0.296CS..EExtended strand (participates in β ladder)trans-105127.8175.7-58.7171.8000108.4E48 T49 I51 Y88 R89 M90 L189 I220E48-I74 CarbonylContact C-O 3.47Å; E48-I74 WeakPolarHBondContact CA-O 3.37Å; E48-I74 WeakPolarHBondContact CB-O 3.43Å; T49-I74 HydrophobicContact CG2-CB 4.22Å; T49-I74 PolarHBondContact N-O 3.17Å; T49-I74 PolarHBondContact O-N 3.46Å; I51-I74 HydrophobicContact CD1-CD1 4.46Å; I51-I74 HydrophobicContact CG1-CD1 3.53Å; I51-I74 HydrophobicContact CG1-CG1 4.27Å; I74-Y88 HydrophobicContact CG2-CD2 4.1Å; I74-R89 CarbonylContact C-O 3.6Å; I74-R89 WeakPolarHBondContact CA-O 3.49Å; I74-M90 HydrophobicContact CG1-CG 4.33Å; I74-L189 HydrophobicContact CD1-CD2 4.12Å; I74-I220 HydrophobicContact CD1-CB 4.47Å; I74-I220 HydrophobicContact CD1-CD1 3.5Å; I74-I220 HydrophobicContact CD1-CG1 3.85Å; I74-I220 HydrophobicContact CD1-CG2 3.75Å
75V92.9Very high85Confident0 Ų059 Ų590%029%0.29CS..EExtended strand (participates in β ladder)trans-118.4131.3179.8-165.60000110.5F46 E48 Y88 R89 F91 L152 S154 I155F46-V75 HydrophobicContact CD2-CG1 4.46Å; F46-V75 HydrophobicContact CE2-CG1 3.65Å; F46-V75 HydrophobicContact CZ-CG1 3.69Å; E48-V75 HydrophobicContact CB-CB 4.47Å; E48-V75 HydrophobicContact CB-CG1 4.45Å; E48-V75 HydrophobicContact CB-CG2 3.96Å; V75-Y88 CarbonylContact O-C 3.59Å; V75-Y88 VanDerWaalsContact O-CA 3.28Å; V75-Y88 WeakPolarHBondContact O-CA 3.37Å; V75-Y88 WeakPolarHBondContact O-CB 3.38Å; V75-R89 HydrophobicContact CB-CB 4.49Å; V75-R89 PolarHBondContact N-O 3.39Å; V75-R89 PolarHBondContact O-N 3.05Å; V75-F91 HydrophobicContact CG2-CD2 4.05Å; V75-F91 HydrophobicContact CG2-CE2 3.77Å; V75-L152 HydrophobicContact CG1-CD1 4.21Å; V75-S154 WeakPolarHBondContact CG2-OG 3.36Å; V75-I155 HydrophobicContact CB-CD1 4.32Å; V75-I155 HydrophobicContact CG1-CD1 3.92Å; V75-I155 HydrophobicContact CG2-CD1 4.35Å
76H95.6Very high87Confident9 Ų950 Ų504%0.04226%0.255CS..EExtended strand (participates in β ladder)trans-156.7179174.6-154.93.3000111.4F46 G47 W83 W86 W186F46-H76 WeakPolarHBondContact CD2-O 3.43Å; G47-H76 PolarHBondContact N-O 3.17Å; G47-H76 VanDerWaalsContact N-O 3.07Å; G47-H76 PolarHBondContact O-N 2.83Å; H76-W83 HydrophobicContact CB-CE3 4.36Å; H76-W83 HydrophobicContact CB-CZ3 4.15Å; H76-W83 AromaticContact CD2-CD2 3.62Å; H76-W83 AromaticContact CD2-CE3 3.16Å; H76-W83 AromaticContact CD2-CZ3 3.67Å; H76-W83 AromaticContact CG-CE3 3.82Å; H76-W83 AromaticContact NE2-CD2 3.66Å; H76-W83 AromaticContact NE2-CE3 3.49Å; H76-W83 AromaticContact NE2-CG 3.69Å; H76-W86 PolarHBondContact CE1-O 3.5Å; H76-W86 PolarHBondContact ND1-O 2.91Å; H76-W186 HydrophobicContact CB-CH2 3.57Å; H76-W186 HydrophobicContact CB-CZ2 4.05Å
77A96.6Very high88.9Confident0 Ų048 Ų480%025%0.246CC..EExtended strand (participates in β ladder)trans-140152.2178.900000111.7V44 Y45 F46 V84 F108V44-A77 HydrophobicContact CG1-CB 3.91Å; Y45-A77 CarbonylContact O-C 3.5Å; Y45-A77 WeakPolarHBondContact O-CA 3.47Å; Y45-A77 VanDerWaalsContact O-CB 3.28Å; Y45-A77 WeakPolarHBondContact O-CB 3.16Å; F46-A77 HydrophobicContact CB-CB 4.27Å; F46-A77 HydrophobicContact CD2-CB 3.66Å; F46-A77 HydrophobicContact CG-CB 4.44Å; A77-V84 HydrophobicContact CB-CG1 4.18Å; A77-V84 HydrophobicContact CB-CG2 3.65Å; A77-V84 WeakPolarHBondContact O-CG2 3.22Å; A77-V84 PolarHBondContact O-N 3.45Å; A77-F108 HydrophobicContact CB-CD2 4.34Å; A77-F108 HydrophobicContact CB-CE2 3.32Å; A77-F108 HydrophobicContact CB-CZ 3.73Å
78A96.8Very high90.6Very high0 Ų043.4 Ų43.40%022%0.221CC..EExtended strand (participates in β ladder)trans-141.3135.817600000111Y45 G82 W83 L182 W232Y45-A78 PolarHBondContact N-O 3.41Å; Y45-A78 PolarHBondContact O-N 3.43Å; A78-G82 CarbonylContact C-O 3.58Å; A78-G82 VanDerWaalsContact CA-O 3.22Å; A78-G82 WeakPolarHBondContact CA-O 3.2Å; A78-G82 WeakPolarHBondContact CB-O 3.43Å; A78-W83 HydrophobicContact CB-CD2 4.48Å; A78-W83 HydrophobicContact CB-CE3 3.77Å; A78-W83 HydrophobicContact CB-CZ3 4.02Å; A78-L182 HydrophobicContact CB-CD2 3.91Å; A78-W232 HydrophobicContact CB-CD2 4.31Å; A78-W232 HydrophobicContact CB-CE3 4.31Å; A78-W232 HydrophobicContact CB-CH2 3.26Å; A78-W232 HydrophobicContact CB-CZ2 3.25Å; A78-W232 HydrophobicContact CB-CZ3 3.82Å
79G94.5Very high91.9Very high3 Ų338.4 Ų38.43%0.03120%0.195CC..EExtended strand (participates in β ladder)trans-111-158.8179.400000111.9T43 Q81 G82 W232T43-G79 WeakPolarHBondContact O-CA 3.5Å; G79-Q81 PolarHBondContact O-N 2.96Å; G79-Q81 VanDerWaalsContact O-N 3.17Å; G79-G82 PolarHBondContact N-O 3.14Å; G79-G82 PolarHBondContact O-N 3.22Å; G79-W232 PolarHBondContact O-NE1 2.91Å
80S88.9Confident92.7Very high82 Ų8239.8 Ų39.857%0.57320%0.2SC*.THydrogen-bonded Turntrans-61.1-24.2-179.859.80000115.1
81Q89.6Confident92.8Very high141 Ų14139.7 Ų39.766%0.65920%0.195SC*.THydrogen-bonded Turntrans-99.7-1.5-175-63.7-179.7-5.700114.1G79 Y116G79-Q81 PolarHBondContact O-N 2.96Å; G79-Q81 VanDerWaalsContact O-N 3.17Å; Q81-Y116 HydrophobicContact CB-CE1 4.48Å; Q81-Y116 HydrophobicContact CG-CE1 4.35Å
82G94.5Very high92.8Very high3 Ų340 Ų403%0.03120%0.195CC..EExtended strand (participates in β ladder)trans117.6-155-170.800000111.3A78 G79 V84 W232A78-G82 CarbonylContact C-O 3.58Å; A78-G82 VanDerWaalsContact CA-O 3.22Å; A78-G82 WeakPolarHBondContact CA-O 3.2Å; A78-G82 WeakPolarHBondContact CB-O 3.43Å; G79-G82 PolarHBondContact N-O 3.14Å; G79-G82 PolarHBondContact O-N 3.22Å; G82-V84 PolarHBondContact O-N 2.89Å; G82-W232 VanDerWaalsContact N-CD1 3.28Å
83W96.5Very high92Very high46 Ų4640.8 Ų40.817%0.17420%0.198CC..EExtended strand (participates in β ladder)trans-51.9134.4171.6-62.3123.1000110.7H76 A78 L182 A185 W186 I224 I227H76-W83 HydrophobicContact CB-CE3 4.36Å; H76-W83 HydrophobicContact CB-CZ3 4.15Å; H76-W83 AromaticContact CD2-CD2 3.62Å; H76-W83 AromaticContact CD2-CE3 3.16Å; H76-W83 AromaticContact CD2-CZ3 3.67Å; H76-W83 AromaticContact CG-CE3 3.82Å; H76-W83 AromaticContact NE2-CD2 3.66Å; H76-W83 AromaticContact NE2-CE3 3.49Å; H76-W83 AromaticContact NE2-CG 3.69Å; A78-W83 HydrophobicContact CB-CD2 4.48Å; A78-W83 HydrophobicContact CB-CE3 3.77Å; A78-W83 HydrophobicContact CB-CZ3 4.02Å; W83-L182 HydrophobicContact CH2-CD2 3.94Å; W83-L182 HydrophobicContact CZ3-CD2 3.54Å; W83-A185 HydrophobicContact CH2-CB 3.89Å; W83-A185 HydrophobicContact CZ2-CB 4.06Å; W83-W186 AromaticContact CH2-CE3 3.96Å; W83-W186 HydrophobicContact CH2-CE3 3.96Å; W83-W186 AromaticContact CH2-CH2 3.45Å; W83-W186 HydrophobicContact CH2-CH2 3.45Å; W83-W186 VanDerWaalsContact CH2-CH2 3.45Å; W83-W186 HydrophobicContact CH2-CZ2 4.18Å; W83-W186 AromaticContact CH2-CZ3 3.3Å; W83-W186 HydrophobicContact CH2-CZ3 3.3Å; W83-W186 HydrophobicContact CZ2-CH2 4.47Å; W83-W186 HydrophobicContact CZ2-CZ3 4.02Å; W83-W186 AromaticContact CZ3-CH2 3.61Å; W83-W186 HydrophobicContact CZ3-CH2 3.61Å; W83-W186 HydrophobicContact CZ3-CZ2 4.19Å; W83-W186 AromaticContact CZ3-CZ3 3.97Å; W83-W186 HydrophobicContact CZ3-CZ3 3.97Å; W83-I224 HydrophobicContact CD2-CG2 4.13Å; W83-I224 HydrophobicContact CG-CG2 4.2Å; W83-I224 HydrophobicContact CZ2-CG2 4.26Å; W83-I224 PolarHBondContact NE1-O 2.88Å; W83-I227 HydrophobicContact CZ2-CB 3.96Å; W83-I227 HydrophobicContact CZ2-CG1 4.21Å; W83-I227 HydrophobicContact CZ2-CG2 4.06Å; W83-I227 PolarHBondContact NE1-O 3.25Å
84V96.5Very high90.8Very high5 Ų545.6 Ų45.63%0.0322%0.224CC..  trans-69.7156173.7-570000109.3V44 A77 G82 W86 F108 V112 Y116V44-V84 HydrophobicContact CG1-CG1 3.9Å; V44-V84 HydrophobicContact CG2-CG1 4.48Å; A77-V84 HydrophobicContact CB-CG1 4.18Å; A77-V84 HydrophobicContact CB-CG2 3.65Å; A77-V84 WeakPolarHBondContact O-CG2 3.22Å; A77-V84 PolarHBondContact O-N 3.45Å; G82-V84 PolarHBondContact O-N 2.89Å; V84-W86 HydrophobicContact CG2-CB 3.72Å; V84-W86 PolarHBondContact O-N 3.32Å; V84-F108 HydrophobicContact CG2-CE2 4.16Å; V84-V112 HydrophobicContact CB-CG2 4.34Å; V84-V112 HydrophobicContact CG1-CG2 4.27Å; V84-V112 HydrophobicContact CG2-CG2 4.38Å; V84-Y116 HydrophobicContact CB-CE2 4.11Å; V84-Y116 HydrophobicContact CG1-CE2 3.74Å
85P95.3Very high89.2Confident90 Ų9052.5 Ų52.558%0.58426%0.256SS*.SBendtrans-7639.5178.833.7-36.9000112.7V111 A115P85-V111 HydrophobicContact CG-CG1 4.15Å; P85-V111 WeakPolarHBondContact O-CG1 2.98Å; P85-A115 HydrophobicContact CG-CB 3.62Å
86W95.1Very high87.4Confident6 Ų654.6 Ų54.62%0.02327%0.267CS..SBendtrans-111.1124.4173.5-179.369.5000108.2F46 H76 V84 Y88 R89 E107 F108 V111 I155F46-W86 HydrophobicContact CE2-CE3 4.43Å; F46-W86 HydrophobicContact CE2-CH2 4.13Å; F46-W86 AromaticContact CE2-CZ3 3.76Å; F46-W86 HydrophobicContact CE2-CZ3 3.76Å; F46-W86 HydrophobicContact CZ-CH2 4.39Å; F46-W86 HydrophobicContact CZ-CZ3 4.46Å; H76-W86 PolarHBondContact CE1-O 3.5Å; H76-W86 PolarHBondContact ND1-O 2.91Å; V84-W86 HydrophobicContact CG2-CB 3.72Å; V84-W86 PolarHBondContact O-N 3.32Å; W86-Y88 PolarHBondContact O-N 3.48Å; W86-R89 HydrophobicContact CH2-CB 4.23Å; W86-R89 HydrophobicContact CH2-CG 3.51Å; W86-R89 HydrophobicContact CZ2-CG 3.62Å; W86-R89 HydrophobicContact CZ3-CG 4.42Å; W86-E107 PolarHBondContact NE1-OE1 3.07Å; W86-F108 HydrophobicContact CB-CD2 4.39Å; W86-F108 HydrophobicContact CD2-CB 4.35Å; W86-F108 HydrophobicContact CD2-CD2 4.01Å; W86-F108 HydrophobicContact CE3-CD2 4.11Å; W86-F108 HydrophobicContact CG-CD2 4.14Å; W86-F108 HydrophobicContact CZ2-CB 4.4Å; W86-V111 HydrophobicContact CB-CB 4.44Å; W86-V111 HydrophobicContact CB-CG1 3.9Å; W86-I155 HydrophobicContact CH2-CD1 4.27Å
87K93.6Very high85Confident160 Ų16059 Ų5970%0.69630%0.298SS*.  trans-62.1128.6-179.1-175.4178.1-179.7-179.20109.6R89K87-R89 PolarHBondContact O-NH1 3.08Å
88Y94.4Very high82.8Confident31 Ų3167.2 Ų67.212%0.12234%0.34CS..  trans-54.9151.1175.472.2-93.5000110.8I74 V75 W86 M90 S217 I220 S221 I224I74-Y88 HydrophobicContact CG2-CD2 4.1Å; V75-Y88 CarbonylContact O-C 3.59Å; V75-Y88 VanDerWaalsContact O-CA 3.28Å; V75-Y88 WeakPolarHBondContact O-CA 3.37Å; V75-Y88 WeakPolarHBondContact O-CB 3.38Å; W86-Y88 PolarHBondContact O-N 3.48Å; Y88-M90 HydrophobicContact CE2-CB 4.45Å; Y88-S217 PolarHBondContact OH-O 3.43Å; Y88-I220 HydrophobicContact CD2-CG2 4.35Å; Y88-I220 HydrophobicContact CE1-CG2 4.44Å; Y88-I220 HydrophobicContact CE2-CG2 3.7Å; Y88-S221 PolarHBondContact OH-OG 2.94Å; Y88-I224 HydrophobicContact CD1-CD1 3.49Å; Y88-I224 VanDerWaalsContact CD1-CD1 3.49Å; Y88-I224 HydrophobicContact CD2-CD1 4.22Å; Y88-I224 HydrophobicContact CE1-CD1 3.9Å; Y88-I224 HydrophobicContact CG-CD1 3.68Å
89R92.1Very high80.8Confident53 Ų5375.2 Ų75.220%0.238%0.375CS..EExtended strand (participates in β ladder)trans-109150.2174.5-63.7-63.4-170.3-91.62.5109.8I74 V75 W86 K87 F91 E107I74-R89 CarbonylContact C-O 3.6Å; I74-R89 WeakPolarHBondContact CA-O 3.49Å; V75-R89 HydrophobicContact CB-CB 4.49Å; V75-R89 PolarHBondContact N-O 3.39Å; V75-R89 PolarHBondContact O-N 3.05Å; W86-R89 HydrophobicContact CH2-CB 4.23Å; W86-R89 HydrophobicContact CH2-CG 3.51Å; W86-R89 HydrophobicContact CZ2-CG 3.62Å; W86-R89 HydrophobicContact CZ3-CG 4.42Å; K87-R89 PolarHBondContact O-NH1 3.08Å; R89-F91 HydrophobicContact CB-CD2 4.43Å; R89-F91 HydrophobicContact CB-CE2 3.49Å; R89-F91 VanDerWaalsContact CB-CE2 3.49Å; R89-F91 HydrophobicContact CB-CZ 3.6Å; R89-F91 HydrophobicContact CG-CZ 4.24Å; R89-E107 IonicContact CZ-OE1 3.11Å; R89-E107 IonicContact CZ-OE2 2.78Å; R89-E107 IonicContact NH2-OE1 3.92Å; R89-E107 PolarHBondContact NH2-OE1 3.11Å; R89-E107 IonicContact NH2-OE2 3.75Å; R89-E107 PolarHBondContact NH2-OE2 3.44Å
90M89.6Confident78.9Confident59 Ų5978.6 Ų78.629%0.29140%0.396SS..EExtended strand (participates in β ladder)trans-136.1127.1-179-173.6174.677.900108W72 C73 I74 Y88 F216W72-M90 HydrophobicContact CE3-CE 3.95Å; W72-M90 HydrophobicContact CE3-CG 3.75Å; W72-M90 HydrophobicContact CE3-SD 4.12Å; W72-M90 HydrophobicContact CZ3-CE 3.88Å; W72-M90 HydrophobicContact CZ3-CG 4.39Å; C73-M90 CarbonylContact O-C 3.35Å; C73-M90 VanDerWaalsContact O-CA 3.31Å; C73-M90 WeakPolarHBondContact O-CA 3.47Å; I74-M90 HydrophobicContact CG1-CG 4.33Å; Y88-M90 HydrophobicContact CE2-CB 4.45Å; M90-F216 HydrophobicContact CE-CD1 3.98Å; M90-F216 HydrophobicContact CE-CE1 4.1Å; M90-F216 HydrophobicContact SD-CD1 3.78Å; M90-F216 HydrophobicContact SD-CE1 3.37Å; M90-F216 WeakPolarHBondContact SD-CE1 3.33Å; M90-F216 HydrophobicContact SD-CZ 4.26Å
91F87.1Confident77.6Confident46 Ų4679.5 Ų79.520%0.20239%0.392CS..EExtended strand (participates in β ladder)trans-129.4140.1-177.1-53.1-82.5000109.3W72 C73 V75 R89 L96 L104 I155W72-F91 CarbonylContact C-O 3.57Å; W72-F91 WeakPolarHBondContact CA-O 3.47Å; C73-F91 PolarHBondContact N-O 3.24Å; C73-F91 PolarHBondContact O-N 3.46Å; V75-F91 HydrophobicContact CG2-CD2 4.05Å; V75-F91 HydrophobicContact CG2-CE2 3.77Å; R89-F91 HydrophobicContact CB-CD2 4.43Å; R89-F91 HydrophobicContact CB-CE2 3.49Å; R89-F91 VanDerWaalsContact CB-CE2 3.49Å; R89-F91 HydrophobicContact CB-CZ 3.6Å; R89-F91 HydrophobicContact CG-CZ 4.24Å; F91-L96 HydrophobicContact CB-CD2 3.45Å; F91-L96 VanDerWaalsContact CB-CD2 3.45Å; F91-L96 HydrophobicContact CB-CG 4.33Å; F91-L96 HydrophobicContact CD1-CD2 4.37Å; F91-L96 HydrophobicContact CG-CD2 3.89Å; F91-L104 HydrophobicContact CE1-CD1 4.18Å; F91-L104 HydrophobicContact CZ-CD1 3.66Å; F91-I155 HydrophobicContact CE2-CD1 4.43Å; F91-I155 HydrophobicContact CE2-CG1 4.46Å
92L85.7Confident76.3Confident30 Ų3077.3 Ų77.316%0.15738%0.384CS..EExtended strand (participates in β ladder)trans-81.8125.9168.7-176.361.5000108.7P70 W72 D94 E95 L96P70-L92 HydrophobicContact CB-CD1 3.95Å; W72-L92 HydrophobicContact CD2-CD1 4.02Å; W72-L92 HydrophobicContact CE3-CB 4.04Å; W72-L92 HydrophobicContact CE3-CD1 4.35Å; W72-L92 HydrophobicContact CG-CD1 4.42Å; W72-L92 HydrophobicContact CH2-CB 4.23Å; W72-L92 HydrophobicContact CZ2-CD1 4.22Å; W72-L92 HydrophobicContact CZ3-CB 3.87Å; L92-D94 VanDerWaalsContact C-N 3.27Å; L92-D94 PolarHBondContact O-N 3.33Å; L92-E95 HydrophobicContact CB-CB 4.26Å; L92-E95 HydrophobicContact CB-CG 4.41Å; L92-E95 HydrophobicContact CD2-CG 4.01Å; L92-E95 HydrophobicContact CG-CG 4.43Å; L92-E95 CarbonylContact O-C 3.51Å; L92-E95 PolarHBondContact O-N 3.4Å; L92-L96 PolarHBondContact O-N 3.36Å
93R74.4Confident75.6Confident91 Ų9180.7 Ų80.734%0.34341%0.407SS..G310 helixtrans-62.6-33.1-169.3-164.6175.6-172.8-171.5-1.8113.3T71 E95 L96T71-R93 WeakPolarHBondContact O-CB 3.36Å; T71-R93 PolarHBondContact O-N 2.86Å; R93-E95 VanDerWaalsContact C-N 3.28Å; R93-L96 HydrophobicContact CB-CD1 4.21Å; R93-L96 HydrophobicContact CG-CD1 3.76Å; R93-L96 WeakPolarHBondContact O-CB 3.36Å; R93-L96 PolarHBondContact O-N 3.42Å
94D65.3Low75.2Confident102 Ų10279 Ų7955%0.54540%0.402SS..G310 helixtrans-80.1-11.8179.3-53.9-43.5000112.6L92L92-D94 VanDerWaalsContact C-N 3.27Å; L92-D94 PolarHBondContact O-N 3.33Å
95E58.3Low75Confident146 Ų14678.9 Ų78.968%0.68240%0.401SS*.G310 helixtrans-108.44.7173.4-64.9-17917300112.6L92 R93 C97L92-E95 HydrophobicContact CB-CB 4.26Å; L92-E95 HydrophobicContact CB-CG 4.41Å; L92-E95 HydrophobicContact CD2-CG 4.01Å; L92-E95 HydrophobicContact CG-CG 4.43Å; L92-E95 CarbonylContact O-C 3.51Å; L92-E95 PolarHBondContact O-N 3.4Å; R93-E95 VanDerWaalsContact C-N 3.28Å; E95-C97 PolarHBondContact O-N 3.01Å
96L54.2Low74.9Confident44 Ų4475.9 Ų75.923%0.2338%0.382CS..  trans-57.6107.9177.2-80.5169.6000108.2F91 L92 R93 I98F91-L96 HydrophobicContact CB-CD2 3.45Å; F91-L96 VanDerWaalsContact CB-CD2 3.45Å; F91-L96 HydrophobicContact CB-CG 4.33Å; F91-L96 HydrophobicContact CD1-CD2 4.37Å; F91-L96 HydrophobicContact CG-CD2 3.89Å; L92-L96 PolarHBondContact O-N 3.36Å; R93-L96 HydrophobicContact CB-CD1 4.21Å; R93-L96 HydrophobicContact CG-CD1 3.76Å; R93-L96 WeakPolarHBondContact O-CB 3.36Å; R93-L96 PolarHBondContact O-N 3.42Å; L96-I98 PolarHBondContact O-N 2.98Å
97C46.6Very low74.8Confident101 Ų10179.3 Ų79.368%0.68240%0.398SS*.  trans-46.4132.3176.1-83.90000109.4E95 K99E95-C97 PolarHBondContact O-N 3.01Å; C97-K99 PolarHBondContact O-N 3.17Å
98I50.7Low75Confident173 Ų17371.7 Ų71.789%0.88737%0.365SS*.SBendtrans-61.77.5174.6-63.7166.2000111.7L96L96-I98 PolarHBondContact O-N 2.98Å
99K53.1Low75Confident167 Ų16770.2 Ų70.273%0.72636%0.36SS*.SBendtrans-126.9112.2179.2-63.9-172.9-179.5-179.20109.2C97 E101C97-K99 PolarHBondContact O-N 3.17Å; K99-E101 PolarHBondContact O-N 3.1Å
100P56.6Low75.2Confident74 Ų7469.3 Ų69.348%0.48136%0.358SS..  trans-55.2123.1168.4-16.527.4000109.2D102 A156P100-D102 PolarHBondContact O-N 2.73Å; P100-D102 VanDerWaalsContact O-N 3.11Å; P100-A156 HydrophobicContact CB-CB 3.48Å; P100-A156 VanDerWaalsContact CB-CB 3.48Å; P100-A156 HydrophobicContact CG-CB 4.23Å
101E60Low75.6Confident102 Ų10268 Ų6848%0.47735%0.354SS..  trans-78.593.1174.1-78.9-173.5164.700109.6K99 S103 L104K99-E101 PolarHBondContact O-N 3.1Å; E101-S103 PolarHBondContact O-N 3.15Å; E101-S103 VanDerWaalsContact O-N 3.07Å; E101-L104 HydrophobicContact CB-CD1 4.07Å; E101-L104 HydrophobicContact CB-CG 4.06Å; E101-L104 PolarHBondContact O-N 3.38Å; E101-L104 VanDerWaalsContact O-N 3.11Å; E101-L104 WeakPolarHBondContact OE2-CD1 3.35Å
102D63.3Low76.1Confident95 Ų9565.9 Ų65.951%0.50834%0.344SS..Hα-helixtrans-57.3-20.7174.1-66.8-25.7000112.7P100 S106P100-D102 PolarHBondContact O-N 2.73Å; P100-D102 VanDerWaalsContact O-N 3.11Å; D102-S106 PolarHBondContact O-N 3.14Å; D102-S106 PolarHBondContact O-OG 2.67Å
103S80.3Confident76.6Confident73 Ų7369.4 Ų69.451%0.5136%0.356SS..Hα-helixtrans-64-36.617657.60000112.8E101 S106 E107E101-S103 PolarHBondContact O-N 3.15Å; E101-S103 VanDerWaalsContact O-N 3.07Å; S103-S106 PolarHBondContact O-N 2.7Å; S103-E107 WeakPolarHBondContact O-CB 3.49Å; S103-E107 PolarHBondContact O-N 2.91Å
104L87.8Confident77.6Confident12 Ų1272.4 Ų72.46%0.06337%0.371CS..Hα-helixtrans-69.6-40.9-177.4-70.8176.8000112F91 E101 S106 E107 F108 I155F91-L104 HydrophobicContact CE1-CD1 4.18Å; F91-L104 HydrophobicContact CZ-CD1 3.66Å; E101-L104 HydrophobicContact CB-CD1 4.07Å; E101-L104 HydrophobicContact CB-CG 4.06Å; E101-L104 PolarHBondContact O-N 3.38Å; E101-L104 VanDerWaalsContact O-N 3.11Å; E101-L104 WeakPolarHBondContact OE2-CD1 3.35Å; L104-S106 VanDerWaalsContact C-N 3.31Å; L104-E107 PolarHBondContact O-N 3.29Å; L104-F108 WeakPolarHBondContact O-CB 3.28Å; L104-F108 PolarHBondContact O-N 3.22Å; L104-I155 HydrophobicContact CB-CD1 4.17Å; L104-I155 HydrophobicContact CD1-CD1 4.08Å; L104-I155 HydrophobicContact CD1-CG1 4.26Å
105F91.3Very high79.1Confident1 Ų169.9 Ų69.90%0.00436%0.364CS..Hα-helixtrans-67.9-36.3177.3-172.4-115.9000111.4F46 F108 C109 I121 I155 A156 C157 C158 V161 A162 L169F46-F105 HydrophobicContact CD1-CD2 4.49Å; F46-F105 HydrophobicContact CD1-CE2 4.33Å; F46-F105 HydrophobicContact CE1-CD2 4.02Å; F46-F105 HydrophobicContact CE1-CE2 4.32Å; F105-F108 AromaticContact CD2-CD1 3.92Å; F105-F108 HydrophobicContact CD2-CD1 3.92Å; F105-F108 AromaticContact CE2-CD1 3.84Å; F105-F108 HydrophobicContact CE2-CD1 3.84Å; F105-F108 HydrophobicContact CE2-CE1 4.1Å; F105-F108 PolarHBondContact O-N 2.84Å; F105-C109 WeakPolarHBondContact O-CB 3.43Å; F105-C109 PolarHBondContact O-N 3.19Å; F105-C109 PolarHBondContact O-SG 3.19Å; F105-I121 HydrophobicContact CE2-CD1 4.43Å; F105-I121 HydrophobicContact CZ-CD1 4.14Å; F105-I155 HydrophobicContact CB-CG2 4.01Å; F105-A156 WeakPolarHBondContact CB-O 3.1Å; F105-C157 HydrophobicContact CD2-CB 4.12Å; F105-C157 HydrophobicContact CE1-CB 4.23Å; F105-C157 HydrophobicContact CE2-CB 3.82Å; F105-C157 HydrophobicContact CG-CB 4.47Å; F105-C157 HydrophobicContact CZ-CB 3.88Å; F105-C158 WeakPolarHBondContact CE1-O 3.38Å; F105-V161 HydrophobicContact CD1-CB 4.1Å; F105-V161 HydrophobicContact CD1-CG1 3.83Å; F105-V161 HydrophobicContact CE1-CB 4.3Å; F105-V161 HydrophobicContact CE1-CG1 4.24Å; F105-A162 HydrophobicContact CE1-CB 4.04Å; F105-A162 HydrophobicContact CZ-CB 4.16Å; F105-L169 HydrophobicContact CZ-CD1 4.12Å
106S92.7Very high80.8Confident28 Ų2864.3 Ų64.320%0.19634%0.337CS..Hα-helixtrans-65-44.9174.4-560000112D102 S103 L104 F108 C109 D110 V161D102-S106 PolarHBondContact O-N 3.14Å; D102-S106 PolarHBondContact O-OG 2.67Å; S103-S106 PolarHBondContact O-N 2.7Å; L104-S106 VanDerWaalsContact C-N 3.31Å; S106-F108 VanDerWaalsContact C-N 3.35Å; S106-F108 PolarHBondContact O-N 3.32Å; S106-C109 PolarHBondContact O-N 3.19Å; S106-D110 PolarHBondContact O-N 2.96Å; S106-V161 WeakPolarHBondContact OG-CG1 3.24Å
107E94.8Very high82.8Confident78 Ų7863.8 Ų63.836%0.36434%0.343SS..Hα-helixtrans-57.7-47.7173.1-174.2-157.8138.500111W86 R89 S103 L104 C109 D110 V111W86-E107 PolarHBondContact NE1-OE1 3.07Å; R89-E107 IonicContact CZ-OE1 3.11Å; R89-E107 IonicContact CZ-OE2 2.78Å; R89-E107 IonicContact NH2-OE1 3.92Å; R89-E107 PolarHBondContact NH2-OE1 3.11Å; R89-E107 IonicContact NH2-OE2 3.75Å; R89-E107 PolarHBondContact NH2-OE2 3.44Å; S103-E107 WeakPolarHBondContact O-CB 3.49Å; S103-E107 PolarHBondContact O-N 2.91Å; L104-E107 PolarHBondContact O-N 3.29Å; E107-C109 PolarHBondContact O-N 3.11Å; E107-D110 PolarHBondContact O-N 3.28Å; E107-V111 WeakPolarHBondContact O-CG2 3.29Å; E107-V111 PolarHBondContact O-N 3.37Å
108F95.7Very high85.2Confident0 Ų065.2 Ų65.20%034%0.337CS..Hα-helixtrans-58.8-47.3177.2164.8-105.2000112V44 F46 A77 V84 W86 L104 F105 S106 D110 V111 V112 I121V44-F108 HydrophobicContact CG1-CE2 4.44Å; V44-F108 HydrophobicContact CG1-CZ 3.91Å; F46-F108 HydrophobicContact CB-CE1 4.34Å; F46-F108 HydrophobicContact CB-CZ 4.12Å; F46-F108 HydrophobicContact CD1-CE1 4.4Å; F46-F108 HydrophobicContact CD2-CD2 4.39Å; F46-F108 HydrophobicContact CD2-CE1 4.24Å; F46-F108 HydrophobicContact CD2-CE2 4.04Å; F46-F108 AromaticContact CD2-CZ 3.95Å; F46-F108 HydrophobicContact CD2-CZ 3.95Å; F46-F108 HydrophobicContact CE2-CD2 4.26Å; F46-F108 HydrophobicContact CE2-CE2 4.37Å; F46-F108 HydrophobicContact CE2-CG 4.35Å; F46-F108 HydrophobicContact CG-CE1 4.1Å; F46-F108 HydrophobicContact CG-CZ 4.08Å; A77-F108 HydrophobicContact CB-CD2 4.34Å; A77-F108 HydrophobicContact CB-CE2 3.32Å; A77-F108 HydrophobicContact CB-CZ 3.73Å; V84-F108 HydrophobicContact CG2-CE2 4.16Å; W86-F108 HydrophobicContact CB-CD2 4.39Å; W86-F108 HydrophobicContact CD2-CB 4.35Å; W86-F108 HydrophobicContact CD2-CD2 4.01Å; W86-F108 HydrophobicContact CE3-CD2 4.11Å; W86-F108 HydrophobicContact CG-CD2 4.14Å; W86-F108 HydrophobicContact CZ2-CB 4.4Å; L104-F108 WeakPolarHBondContact O-CB 3.28Å; L104-F108 PolarHBondContact O-N 3.22Å; F105-F108 AromaticContact CD2-CD1 3.92Å; F105-F108 HydrophobicContact CD2-CD1 3.92Å; F105-F108 AromaticContact CE2-CD1 3.84Å; F105-F108 HydrophobicContact CE2-CD1 3.84Å; F105-F108 HydrophobicContact CE2-CE1 4.1Å; F105-F108 PolarHBondContact O-N 2.84Å; S106-F108 VanDerWaalsContact C-N 3.35Å; S106-F108 PolarHBondContact O-N 3.32Å; F108-D110 VanDerWaalsContact C-N 3.35Å; F108-D110 PolarHBondContact O-N 3.42Å; F108-V111 PolarHBondContact O-N 2.83Å; F108-V112 HydrophobicContact CD2-CG2 3.85Å; F108-V112 HydrophobicContact CE1-CG2 4.4Å; F108-V112 HydrophobicContact CE2-CG2 3.32Å; F108-V112 HydrophobicContact CZ-CG2 3.66Å; F108-V112 WeakPolarHBondContact O-CG2 3.46Å; F108-V112 PolarHBondContact O-N 3.26Å; F108-I121 HydrophobicContact CE1-CD1 3.85Å; F108-I121 HydrophobicContact CE1-CG1 4.18Å; F108-I121 HydrophobicContact CE1-CG2 3.97Å; F108-I121 HydrophobicContact CZ-CG2 4.45Å
109C95.8Very high87.4Confident0 Ų057 Ų570%030%0.295CS..Hα-helixtrans-58.7-45.7177-72.50000111.3F105 S106 E107 V111 V112 R113 Y165 H167F105-C109 WeakPolarHBondContact O-CB 3.43Å; F105-C109 PolarHBondContact O-N 3.19Å; F105-C109 PolarHBondContact O-SG 3.19Å; S106-C109 PolarHBondContact O-N 3.19Å; E107-C109 PolarHBondContact O-N 3.11Å; C109-V111 PolarHBondContact O-N 2.89Å; C109-V112 PolarHBondContact O-N 3.43Å; C109-R113 VanDerWaalsContact O-CB 3.25Å; C109-R113 WeakPolarHBondContact O-CB 3.46Å; C109-R113 PolarHBondContact O-N 3.05Å; C109-Y165 HydrophobicContact CB-CD1 4.23Å; C109-Y165 HydrophobicContact CB-CD2 3.55Å; C109-Y165 HydrophobicContact CB-CE2 4.14Å; C109-Y165 HydrophobicContact CB-CG 3.63Å; C109-H167 PolarHBondContact O-NE2 3.02Å
110D96.6Very high89.5Confident33 Ų3349 Ų4918%0.17626%0.26CS..Hα-helixtrans-60.4-44.6178-174.753.5000112.6S106 E107 F108 R113 K114 Y165S106-D110 PolarHBondContact O-N 2.96Å; E107-D110 PolarHBondContact O-N 3.28Å; F108-D110 VanDerWaalsContact C-N 3.35Å; F108-D110 PolarHBondContact O-N 3.42Å; D110-R113 PolarHBondContact O-N 2.7Å; D110-R113 IonicContact OD1-CZ 2.64Å; D110-R113 IonicContact OD1-NE 3.45Å; D110-R113 IonicContact OD1-NH2 2.7Å; D110-R113 PolarHBondContact OD1-NH2 3.47Å; D110-K114 WeakPolarHBondContact O-CG 3.44Å; D110-K114 PolarHBondContact O-N 2.94Å; D110-K114 WeakPolarHBondContact OD1-CE 3.48Å; D110-K114 IonicContact OD1-NZ 2.82Å; D110-K114 WeakPolarHBondContact OD2-CE 3.43Å; D110-K114 IonicContact OD2-NZ 2.75Å; D110-K114 PolarHBondContact OD2-NZ 3.07Å; D110-Y165 HydrophobicContact CB-CD1 4.2Å; D110-Y165 HydrophobicContact CB-CE1 3.65Å
111V97.2Very high91.4Very high33 Ų3345.5 Ų45.520%0.224%0.238CC..Hα-helixtrans-63.8-45.3178.5171.30000111.4P85 W86 E107 F108 C109 K114 A115P85-V111 HydrophobicContact CG-CG1 4.15Å; P85-V111 WeakPolarHBondContact O-CG1 2.98Å; W86-V111 HydrophobicContact CB-CB 4.44Å; W86-V111 HydrophobicContact CB-CG1 3.9Å; E107-V111 WeakPolarHBondContact O-CG2 3.29Å; E107-V111 PolarHBondContact O-N 3.37Å; F108-V111 PolarHBondContact O-N 2.83Å; C109-V111 PolarHBondContact O-N 2.89Å; V111-K114 PolarHBondContact O-N 2.91Å; V111-A115 WeakPolarHBondContact O-CB 3.44Å; V111-A115 PolarHBondContact O-N 3.04Å
112V96.8Very high93.1Very high0 Ų040.7 Ų40.70%022%0.215CC..Hα-helixtrans-67.9-39.5179.7169.60000111.3V44 V84 F108 C109 K114 A115 Y116 C119V44-V112 HydrophobicContact CG2-CG1 3.87Å; V84-V112 HydrophobicContact CB-CG2 4.34Å; V84-V112 HydrophobicContact CG1-CG2 4.27Å; V84-V112 HydrophobicContact CG2-CG2 4.38Å; F108-V112 HydrophobicContact CD2-CG2 3.85Å; F108-V112 HydrophobicContact CE1-CG2 4.4Å; F108-V112 HydrophobicContact CE2-CG2 3.32Å; F108-V112 HydrophobicContact CZ-CG2 3.66Å; F108-V112 WeakPolarHBondContact O-CG2 3.46Å; F108-V112 PolarHBondContact O-N 3.26Å; C109-V112 PolarHBondContact O-N 3.43Å; V112-K114 VanDerWaalsContact C-N 3.32Å; V112-K114 PolarHBondContact O-N 2.84Å; V112-A115 PolarHBondContact O-N 2.84Å; V112-Y116 HydrophobicContact CG1-CD2 4.24Å; V112-Y116 WeakPolarHBondContact O-CB 3.4Å; V112-Y116 PolarHBondContact O-N 2.86Å; V112-C119 HydrophobicContact CG1-CB 3.99Å; V112-C119 WeakPolarHBondContact CG1-SG 3.41Å
113R96.9Very high94.4Very high105 Ų10536.1 Ų36.140%0.39619%0.191SC..Hα-helixtrans-56.2-46.1172.6-176.7-178.266.2171.6-2.9111.8C109 D110 A115 G117 Y165C109-R113 VanDerWaalsContact O-CB 3.25Å; C109-R113 WeakPolarHBondContact O-CB 3.46Å; C109-R113 PolarHBondContact O-N 3.05Å; D110-R113 PolarHBondContact O-N 2.7Å; D110-R113 IonicContact OD1-CZ 2.64Å; D110-R113 IonicContact OD1-NE 3.45Å; D110-R113 IonicContact OD1-NH2 2.7Å; D110-R113 PolarHBondContact OD1-NH2 3.47Å; R113-A115 PolarHBondContact O-N 2.76Å; R113-G117 WeakPolarHBondContact CA-O 3.37Å; R113-G117 WeakPolarHBondContact O-CA 3.23Å; R113-G117 PolarHBondContact O-N 2.79Å; R113-Y165 VanDerWaalsContact CD-O 3.24Å; R113-Y165 WeakPolarHBondContact CD-O 3.07Å
114K96.7Very high94.7Very high154 Ų15435.6 Ų35.667%0.6718%0.179SC*.Hα-helixtrans-64.5-38.3178.2-73.3167.6176.4169.30112.5D110 V111 V112D110-K114 WeakPolarHBondContact O-CG 3.44Å; D110-K114 PolarHBondContact O-N 2.94Å; D110-K114 WeakPolarHBondContact OD1-CE 3.48Å; D110-K114 IonicContact OD1-NZ 2.82Å; D110-K114 WeakPolarHBondContact OD2-CE 3.43Å; D110-K114 IonicContact OD2-NZ 2.75Å; D110-K114 PolarHBondContact OD2-NZ 3.07Å; V111-K114 PolarHBondContact O-N 2.91Å; V112-K114 VanDerWaalsContact C-N 3.32Å; V112-K114 PolarHBondContact O-N 2.84Å
115A95.6Very high93.8Very high48 Ų4839.4 Ų39.440%0.39720%0.196SC..Hα-helixtrans-84.1-34-175.600000114.1P85 V111 V112 R113P85-A115 HydrophobicContact CG-CB 3.62Å; V111-A115 WeakPolarHBondContact O-CB 3.44Å; V111-A115 PolarHBondContact O-N 3.04Å; V112-A115 PolarHBondContact O-N 2.84Å; R113-A115 PolarHBondContact O-N 2.76Å
116Y95.2Very high92.6Very high30 Ų3045.3 Ų45.312%0.11822%0.219CC..Hα-helixtrans-128.8-8.4-168.5-65.7-84.4000114.3Q81 V84 V112 C119Q81-Y116 HydrophobicContact CB-CE1 4.48Å; Q81-Y116 HydrophobicContact CG-CE1 4.35Å; V84-Y116 HydrophobicContact CB-CE2 4.11Å; V84-Y116 HydrophobicContact CG1-CE2 3.74Å; V112-Y116 HydrophobicContact CG1-CD2 4.24Å; V112-Y116 WeakPolarHBondContact O-CB 3.4Å; V112-Y116 PolarHBondContact O-N 2.86Å; Y116-C119 WeakPolarHBondContact CB-SG 3.49Å
117G95.6Very high90.7Very high33 Ų3351.7 Ų51.734%0.3424%0.239SC..SBendtrans74.7-138-172.900000112R113 C119 H167R113-G117 WeakPolarHBondContact CA-O 3.37Å; R113-G117 WeakPolarHBondContact O-CA 3.23Å; R113-G117 PolarHBondContact O-N 2.79Å; G117-C119 PolarHBondContact O-SG 2.8Å; G117-H167 PolarHBondContact O-CE1 3.29Å; G117-H167 VanDerWaalsContact O-CE1 3.28Å
118K95.8Very high88.1Confident131 Ų13154.8 Ų54.857%0.5725%0.253SS*.SBendtrans-69.4136.1176.4-62.1-174-178.51800110.3F41 K42 G166F41-K118 HydrophobicContact CD1-CB 3.97Å; F41-K118 HydrophobicContact CE1-CB 4.09Å; F41-K118 HydrophobicContact CG-CB 4.48Å; K42-K118 PolarHBondContact N-O 2.88Å; K118-G166 WeakPolarHBondContact CB-O 3.46Å; K118-G166 WeakPolarHBondContact CG-O 3.41Å
119C97.4Very high85.2Confident0 Ų063.2 Ų63.20%029%0.292CS..EExtended strand (participates in β ladder)trans-138.2145-174.2-60.70000112.7F41 K42 V44 V112 Y116 G117 H167 E168F41-C119 WeakPolarHBondContact CD1-O 3.27Å; K42-C119 CarbonylContact O-C 3.58Å; K42-C119 WeakPolarHBondContact O-CA 3.38Å; K42-C119 VanDerWaalsContact O-CB 3.23Å; K42-C119 WeakPolarHBondContact O-CB 3Å; V44-C119 HydrophobicContact CG2-CB 4.24Å; V112-C119 HydrophobicContact CG1-CB 3.99Å; V112-C119 WeakPolarHBondContact CG1-SG 3.41Å; Y116-C119 WeakPolarHBondContact CB-SG 3.49Å; G117-C119 PolarHBondContact O-SG 2.8Å; C119-H167 WeakPolarHBondContact CB-ND1 3.14Å; C119-H167 PolarHBondContact N-ND1 3.27Å; C119-H167 VanDerWaalsContact N-ND1 3.19Å; C119-H167 CarbonylContact O-C 3.43Å; C119-H167 WeakPolarHBondContact O-CA 3.36Å; C119-H167 VanDerWaalsContact O-CB 3.28Å; C119-H167 WeakPolarHBondContact O-CB 3.35Å; C119-E168 PolarHBondContact O-N 2.89Å
120V97.1Very high82.1Confident0 Ų071 Ų710%033%0.329CS..EExtended strand (participates in β ladder)trans-91.9111.7161.655.10000107.3L33 L36 F41 K42 T43 V44 V122 E168 L170L33-V120 HydrophobicContact CD1-CG1 3.69Å; L33-V120 HydrophobicContact CD1-CG2 4.19Å; L36-V120 HydrophobicContact CB-CB 4.38Å; L36-V120 HydrophobicContact CD1-CB 4.03Å; L36-V120 HydrophobicContact CD1-CG2 3.58Å; F41-V120 HydrophobicContact CB-CB 4.33Å; F41-V120 HydrophobicContact CB-CG1 4.34Å; K42-V120 PolarHBondContact O-N 2.68Å; T43-V120 HydrophobicContact CG2-CG1 4.24Å; T43-V120 WeakPolarHBondContact OG1-CG1 3.28Å; V44-V120 PolarHBondContact N-O 3.36Å; V120-V122 HydrophobicContact CG2-CG2 4.38Å; V120-E168 CarbonylContact C-O 3.48Å; V120-E168 VanDerWaalsContact CA-O 3.3Å; V120-E168 WeakPolarHBondContact CA-O 3.37Å; V120-L170 HydrophobicContact CG2-CB 3.73Å; V120-L170 HydrophobicContact CG2-CD2 4.13Å
121I96.8Very high78.9Confident0 Ų077.2 Ų77.20%036%0.357CS..EExtended strand (participates in β ladder)trans-87.5109.3178.3-60.9164.8000106.9V44 F46 F105 F108 V123 H167 E168 L169 L170V44-I121 CarbonylContact O-C 3.55Å; V44-I121 WeakPolarHBondContact O-CA 3.08Å; F46-I121 HydrophobicContact CB-CG2 3.86Å; F105-I121 HydrophobicContact CE2-CD1 4.43Å; F105-I121 HydrophobicContact CZ-CD1 4.14Å; F108-I121 HydrophobicContact CE1-CD1 3.85Å; F108-I121 HydrophobicContact CE1-CG1 4.18Å; F108-I121 HydrophobicContact CE1-CG2 3.97Å; F108-I121 HydrophobicContact CZ-CG2 4.45Å; I121-V123 HydrophobicContact CG2-CG1 4.19Å; I121-H167 HydrophobicContact CD1-CB 3.74Å; I121-H167 HydrophobicContact CG1-CB 4.29Å; I121-E168 PolarHBondContact N-O 2.84Å; I121-L169 HydrophobicContact CB-CD1 3.88Å; I121-L169 HydrophobicContact CG2-CD1 3.77Å; I121-L170 PolarHBondContact O-N 2.85Å
122V94.9Very high75.7Confident0 Ų083.2 Ų83.20%038%0.383CS..EExtended strand (participates in β ladder)trans-90.8118.1178.1179.10000108.9Y29 L33 T43 V44 Y45 F46 V120 L170 L172Y29-V122 HydrophobicContact CE2-CG1 4.27Å; Y29-V122 WeakPolarHBondContact OH-CG1 3.35Å; L33-V122 HydrophobicContact CD1-CG2 4.25Å; T43-V122 HydrophobicContact CG2-CG2 3.87Å; V44-V122 PolarHBondContact O-N 2.9Å; Y45-V122 WeakPolarHBondContact CA-O 3.1Å; Y45-V122 HydrophobicContact CD1-CB 3.75Å; Y45-V122 HydrophobicContact CD1-CG1 3.79Å; Y45-V122 HydrophobicContact CD1-CG2 4.37Å; Y45-V122 HydrophobicContact CE1-CB 4.12Å; Y45-V122 HydrophobicContact CE1-CG1 4.02Å; Y45-V122 HydrophobicContact CE1-CG2 4.31Å; Y45-V122 HydrophobicContact CG-CB 4.48Å; F46-V122 PolarHBondContact N-O 3.34Å; V120-V122 HydrophobicContact CG2-CG2 4.38Å; V122-L170 VanDerWaalsContact CA-O 3.31Å; V122-L170 WeakPolarHBondContact CA-O 3.46Å; V122-L170 HydrophobicContact CG2-CD2 4.49Å; V122-L172 HydrophobicContact CG1-CB 4.08Å
123V91.9Very high72.5Confident0 Ų093.5 Ų93.50%042%0.421CS..EExtended strand (participates in β ladder)trans-116.1139178.5-75.50000110.2F46 I121 E125 I150 C157 L169 L170 S171 L172F46-V123 HydrophobicContact CB-CG1 4.05Å; F46-V123 HydrophobicContact CD1-CG1 3.92Å; F46-V123 HydrophobicContact CG-CG1 4.48Å; I121-V123 HydrophobicContact CG2-CG1 4.19Å; V123-E125 PolarHBondContact O-N 3.14Å; V123-I150 HydrophobicContact CB-CG2 4.18Å; V123-I150 HydrophobicContact CG2-CB 3.98Å; V123-I150 HydrophobicContact CG2-CD1 3.77Å; V123-I150 HydrophobicContact CG2-CG1 4.46Å; V123-I150 HydrophobicContact CG2-CG2 3.48Å; V123-I150 VanDerWaalsContact CG2-CG2 3.48Å; V123-C157 HydrophobicContact CG1-CB 4.49Å; V123-L169 HydrophobicContact CG1-CD1 4Å; V123-L169 HydrophobicContact CG2-CD1 3.8Å; V123-L169 HydrophobicContact CG2-CG 4.04Å; V123-L170 PolarHBondContact N-O 2.87Å; V123-S171 CarbonylContact O-C 3.42Å; V123-S171 WeakPolarHBondContact O-CA 3.46Å; V123-L172 PolarHBondContact O-N 3.14Å
124K85.8Confident69.4Low61 Ų6194.2 Ų94.227%0.26544%0.44SS..EExtended strand (participates in β ladder)trans-86.4113173.7-176.8174.8175.7173.40108.3R126 N177 D183K124-R126 PolarHBondContact O-N 3.28Å; K124-N177 VanDerWaalsContact CE-CG 3.5Å; K124-N177 VanDerWaalsContact CE-OD1 3.27Å; K124-N177 WeakPolarHBondContact CE-OD1 3.41Å; K124-D183 IonicContact NZ-OD1 3.51Å; K124-D183 PolarHBondContact NZ-OD1 2.75Å; K124-D183 VanDerWaalsContact NZ-OD1 3.11Å; K124-D183 IonicContact NZ-OD2 3.73Å; K124-D183 PolarHBondContact NZ-OD2 3.06Å
125E69.9Low66.2Low92 Ų9296.8 Ų96.843%0.4345%0.451SS..PPolyproline II helixtrans-64.6131.3175.8-176.2171.2-156.400110.4V123 R127 S171V123-E125 PolarHBondContact O-N 3.14Å; E125-R127 PolarHBondContact O-N 3.12Å; E125-S171 WeakPolarHBondContact CB-OG 3.3Å; E125-S171 PolarHBondContact OE2-OG 3Å
126R64.9Low63.2Low126 Ų126102.6 Ų102.648%0.47547%0.47SS..PPolyproline II helixtrans-70.5124.1175-177.7170.7176.1-164.2-6.4108.4K124 Q128 A153K124-R126 PolarHBondContact O-N 3.28Å; R126-Q128 PolarHBondContact O-N 2.93Å; R126-A153 VanDerWaalsContact NH1-CB 3.34Å
127R54.2Low60.4Low162 Ų162108 Ų10861%0.61150%0.501SS*.PPolyproline II helixtrans-63.9121.1156.1-72.7-169.7-171.7168.412.4106.3E125 Q129 S174E125-R127 PolarHBondContact O-N 3.12Å; R127-Q129 VanDerWaalsContact C-N 3.25Å; R127-Q129 PolarHBondContact O-N 3.03Å; R127-S174 VanDerWaalsContact CZ-OG 3.24Å; R127-S174 PolarHBondContact NE-OG 3.11Å; R127-S174 PolarHBondContact NH2-O 2.77Å; R127-S174 PolarHBondContact NH2-OG 3.2Å
128Q39.8Very low57.2Low142 Ų142117.8 Ų117.866%0.66453%0.527SS*.  trans-54.4102.4154.1-67.2179.90.900105.9R126 E130R126-Q128 PolarHBondContact O-N 2.93Å; Q128-E130 PolarHBondContact O-N 3.3Å
129Q34Very low54.4Low177 Ų177121.5 Ų121.583%0.82755%0.547SS*.SBendtrans-67.1121.4157.7-90.3177.8-35.400104.3R127R127-Q129 VanDerWaalsContact C-N 3.25Å; R127-Q129 PolarHBondContact O-N 3.03Å
130E31.7Very low51.3Low165 Ų165125.6 Ų125.677%0.77158%0.581SS**  trans87.560.1178.1-53178.6-178.400117.5Q128Q128-E130 PolarHBondContact O-N 3.3Å
131E29Very low48.1Very low163 Ų163134.4 Ų134.476%0.76262%0.622SS**  trans-85.8102.8131.9-84.6-172.6161.800107.3R133E131-R133 PolarHBondContact O-N 3.24Å
132Q30.6Very low45.1Very low158 Ų158138 Ų13874%0.73866%0.66SS**  trans-60126.9167.9-68.4178.31.500109.4
133R28.1Very low42Very low216 Ų216146.9 Ų146.982%0.81570%0.701SS**SBendtrans85.2135.7165.3-55.1-176.8-172.6-176.22.3117.4E131 K135E131-R133 PolarHBondContact O-N 3.24Å; R133-K135 PolarHBondContact O-N 3.24Å
134P33.3Very low39.5Very low121 Ų121153.7 Ų153.779%0.78673%0.731SS**  trans-67.1120.716329-28.4000108
135K28.6Very low37.3Very low208 Ų208160 Ų16090%0.90475%0.754SS**  trans-87.1110.6152.6-89.3-176.9175.1177.50106.7R133R133-K135 PolarHBondContact O-N 3.24Å
136E33.3Very low35.9Very low169 Ų169162.5 Ų162.579%0.7977%0.769SS**  trans-53.6149.8167.3-76.1169.9153.600111.1
137D34.8Very low35.3Very low143 Ų143157.8 Ų157.877%0.76576%0.755SS**  trans61.292.1157-59.2-14.4000117.9
138R28.5Very low35.4Very low239 Ų239154.4 Ų154.490%0.90275%0.752SS**  -143.4111.8118.7-65.4-162.1178174.6-1.8110.1A140R138-A140 PolarHBondContact O-N 2.8Å
139E37.8Very low36.3Very low209 Ų209150.3 Ų150.398%0.97774%0.737SS**  trans-54.7108.4150.8-72.1179.7150.500107.2
140A31.3Very low37.8Very low86 Ų86142.3 Ų142.371%0.71170%0.7SS**  trans-132.1115.5172.100000108R138 G142R138-A140 PolarHBondContact O-N 2.8Å; A140-G142 PolarHBondContact O-N 3.33Å
141E30.3Very low39.4Very low185 Ų185138.5 Ų138.586%0.86469%0.685SS**  trans-48.3125.6178.8-63.1169.214800112.2Q143E141-Q143 VanDerWaalsContact C-N 3.28Å; E141-Q143 PolarHBondContact O-N 3.43Å
142G35.5Very low41.1Very low77 Ų77131.3 Ų131.379%0.79465%0.651SS**SBend57.210.6126.600000121.4A140A140-G142 PolarHBondContact O-N 3.33Å
143Q28.8Very low42.6Very low186 Ų186125 Ų12587%0.86963%0.626SS**  trans-111.6107173.2-72.7-175-7.800110.5E141 Y145E141-Q143 VanDerWaalsContact C-N 3.28Å; E141-Q143 PolarHBondContact O-N 3.43Å; Q143-Y145 PolarHBondContact O-N 3.19Å
144F39.9Very low44.4Very low142 Ų142115.4 Ų115.462%0.62359%0.592SS**  trans-68.1113.6172.8-75.7-90.9000108.9Q25 I146Q25-F144 HydrophobicContact CG-CE1 4.25Å; F144-I146 PolarHBondContact O-N 3.02Å; F144-I146 VanDerWaalsContact O-N 3.15Å
145Y38.3Very low46.6Very low193 Ų193109.7 Ų109.776%0.75756%0.555SS**  trans-59.2114.4170.6-168.3-99.5000108.7Q143 P147Q143-Y145 PolarHBondContact O-N 3.19Å; Y145-P147 HydrophobicContact CD1-CG 4.37Å; Y145-P147 HydrophobicContact CE1-CB 4.48Å; Y145-P147 VanDerWaalsContact O-CD 3.31Å; Y145-P147 WeakPolarHBondContact O-CD 3.07Å
146I41Very low49.2Very low146 Ų146100 Ų10075%0.74951%0.514SS*.  trans-83.8110.3168-60.9174.1000105.2F144 T148F144-I146 PolarHBondContact O-N 3.02Å; F144-I146 VanDerWaalsContact O-N 3.15Å; I146-T148 PolarHBondContact O-N 2.98Å
147P52.5Low51.6Low27 Ų2792 Ų9218%0.17548%0.476CS..  trans-63.2128.8178.9-17.531.2000109.5Y145 V149 I150Y145-P147 HydrophobicContact CD1-CG 4.37Å; Y145-P147 HydrophobicContact CE1-CB 4.48Å; Y145-P147 VanDerWaalsContact O-CD 3.31Å; Y145-P147 WeakPolarHBondContact O-CD 3.07Å; P147-V149 PolarHBondContact O-N 3.38Å; P147-I150 HydrophobicContact CB-CG1 4.44Å
148T57Low54.1Low90 Ų9086.3 Ų86.355%0.55245%0.447SS*.SBendtrans-63.3-21.8176.3-36.40000112I146 P159I146-T148 PolarHBondContact O-N 2.98Å; T148-P159 WeakPolarHBondContact O-CD 3.28Å
149V58.3Low57Low57 Ų5775.9 Ų75.935%0.34541%0.41SS..SBendtrans-143.6133.3173.2-177.30000108.4P147 N151 A156P147-V149 PolarHBondContact O-N 3.38Å; V149-N151 VanDerWaalsContact CG1-OD1 3.25Å; V149-N151 WeakPolarHBondContact CG1-OD1 3.29Å; V149-A156 HydrophobicContact CG1-CB 3.98Å
150I65.8Low59.5Low9 Ų971 Ų715%0.04639%0.388CS..EExtended strand (participates in β ladder)trans-99.8110.9170.2-59.5167.5000108V123 P147 C157 L169V123-I150 HydrophobicContact CB-CG2 4.18Å; V123-I150 HydrophobicContact CG2-CB 3.98Å; V123-I150 HydrophobicContact CG2-CD1 3.77Å; V123-I150 HydrophobicContact CG2-CG1 4.46Å; V123-I150 HydrophobicContact CG2-CG2 3.48Å; V123-I150 VanDerWaalsContact CG2-CG2 3.48Å; P147-I150 HydrophobicContact CB-CG1 4.44Å; I150-C157 PolarHBondContact N-O 2.99Å; I150-C157 WeakPolarHBondContact O-CA 3.38Å; I150-C157 WeakPolarHBondContact O-CB 3.46Å; I150-C157 PolarHBondContact O-N 3.26Å; I150-L169 HydrophobicContact CB-CD2 4.12Å; I150-L169 HydrophobicContact CD1-CD2 3.72Å; I150-L169 HydrophobicContact CD1-CG 3.89Å; I150-L169 HydrophobicContact CG1-CD2 4.14Å
151N64.3Low62.4Low85 Ų8568.3 Ų68.346%0.45536%0.362SS..EExtended strand (participates in β ladder)trans-90.9123-177.2-66.5-48.1000111.2V149 A156V149-N151 VanDerWaalsContact CG1-OD1 3.25Å; V149-N151 WeakPolarHBondContact CG1-OD1 3.29Å; N151-A156 WeakPolarHBondContact OD1-CB 3.48Å
152L64.4Low65.4Low12 Ų1259.5 Ų59.56%0.06332%0.321CS..  trans-75.5161.9151.1-62.5176.6000108.1F46 V75 S154 I155F46-L152 HydrophobicContact CD1-CD1 3.63Å; F46-L152 HydrophobicContact CE1-CD1 3.46Å; F46-L152 VanDerWaalsContact CE1-CD1 3.46Å; F46-L152 HydrophobicContact CG-CD1 4.39Å; F46-L152 HydrophobicContact CZ-CD1 4.12Å; V75-L152 HydrophobicContact CG1-CD1 4.21Å; L152-S154 PolarHBondContact O-N 2.81Å; L152-S154 VanDerWaalsContact O-N 3.11Å; L152-I155 WeakPolarHBondContact CB-O 3.5Å; L152-I155 PolarHBondContact N-O 2.96Å
153A63.3Low68.2Low24 Ų2461.5 Ų61.520%0.19831%0.308CS..SBendtrans-61.4-21.6179.100000113E48 R126E48-A153 VanDerWaalsContact CD-N 3.3Å; E48-A153 WeakPolarHBondContact OE1-CA 3.24Å; E48-A153 WeakPolarHBondContact OE1-CB 3.25Å; E48-A153 PolarHBondContact OE1-N 3.38Å; E48-A153 PolarHBondContact OE2-N 2.94Å; E48-A153 VanDerWaalsContact OE2-N 3.14Å; R126-A153 VanDerWaalsContact NH1-CB 3.34Å
154S65.9Low71.4Confident16 Ų1656.8 Ų56.811%0.11230%0.295CS..SBendtrans-117.6-20.8-175.253.30000114.7E48 V75 L152E48-S154 PolarHBondContact OE2-N 3.05Å; E48-S154 PolarHBondContact OE2-OG 2.94Å; V75-S154 WeakPolarHBondContact CG2-OG 3.36Å; L152-S154 PolarHBondContact O-N 2.81Å; L152-S154 VanDerWaalsContact O-N 3.11Å
155I79.1Confident74.1Confident1 Ų152.8 Ų52.81%0.00528%0.277CS..  trans-139.9129.5-174.9-58.7-177.1000110.4F46 V75 W86 F91 L104 F105 L152F46-I155 HydrophobicContact CE1-CG2 4.37Å; F46-I155 HydrophobicContact CZ-CD1 3.98Å; V75-I155 HydrophobicContact CB-CD1 4.32Å; V75-I155 HydrophobicContact CG1-CD1 3.92Å; V75-I155 HydrophobicContact CG2-CD1 4.35Å; W86-I155 HydrophobicContact CH2-CD1 4.27Å; F91-I155 HydrophobicContact CE2-CD1 4.43Å; F91-I155 HydrophobicContact CE2-CG1 4.46Å; L104-I155 HydrophobicContact CB-CD1 4.17Å; L104-I155 HydrophobicContact CD1-CD1 4.08Å; L104-I155 HydrophobicContact CD1-CG1 4.26Å; F105-I155 HydrophobicContact CB-CG2 4.01Å; L152-I155 WeakPolarHBondContact CB-O 3.5Å; L152-I155 PolarHBondContact N-O 2.96Å
156A82.2Confident76.7Confident4 Ų444.9 Ų44.93%0.03325%0.254CS..EExtended strand (participates in β ladder)trans-78.9123.6170.100000110.5P100 F105 V149 N151P100-A156 HydrophobicContact CB-CB 3.48Å; P100-A156 VanDerWaalsContact CB-CB 3.48Å; P100-A156 HydrophobicContact CG-CB 4.23Å; F105-A156 WeakPolarHBondContact CB-O 3.1Å; V149-A156 HydrophobicContact CG1-CB 3.98Å; N151-A156 WeakPolarHBondContact OD1-CB 3.48Å
157C85.7Confident79.4Confident0 Ų038 Ų380%022%0.218CC..EExtended strand (participates in β ladder)trans-100.597.9174.5-53.80000108.9F105 V123 I150 L169F105-C157 HydrophobicContact CD2-CB 4.12Å; F105-C157 HydrophobicContact CE1-CB 4.23Å; F105-C157 HydrophobicContact CE2-CB 3.82Å; F105-C157 HydrophobicContact CG-CB 4.47Å; F105-C157 HydrophobicContact CZ-CB 3.88Å; V123-C157 HydrophobicContact CG1-CB 4.49Å; I150-C157 PolarHBondContact N-O 2.99Å; I150-C157 WeakPolarHBondContact O-CA 3.38Å; I150-C157 WeakPolarHBondContact O-CB 3.46Å; I150-C157 PolarHBondContact O-N 3.26Å; C157-L169 HydrophobicContact CB-CD1 4.18Å; C157-L169 HydrophobicContact CB-CD2 3.81Å; C157-L169 WeakPolarHBondContact O-CD2 3.4Å
158C86.7Confident81.5Confident24 Ų2439.7 Ų39.716%0.16222%0.224CC..  trans-82.7120.3178.5171.20000110.7F105 E160 V161 A162F105-C158 WeakPolarHBondContact CE1-O 3.38Å; C158-E160 VanDerWaalsContact C-N 3.26Å; C158-E160 PolarHBondContact O-N 2.97Å; C158-E160 PolarHBondContact SG-OE2 2.88Å; C158-V161 HydrophobicContact CB-CB 4.11Å; C158-V161 HydrophobicContact CB-CG2 3.83Å; C158-V161 PolarHBondContact O-N 3.08Å; C158-A162 PolarHBondContact O-N 3.46Å; C158-A162 VanDerWaalsContact O-N 3.1Å
159P89.5Confident83.3Confident20 Ų2036.6 Ų36.613%0.1320%0.204CC..Hα-helixtrans-56.4-36.5176.7-23.332.9000113.5T148 A162 K163 L169T148-P159 WeakPolarHBondContact O-CD 3.28Å; P159-A162 PolarHBondContact O-N 3.24Å; P159-K163 WeakPolarHBondContact O-CB 3.46Å; P159-K163 WeakPolarHBondContact O-CG 3.29Å; P159-K163 PolarHBondContact O-N 3.37Å; P159-L169 HydrophobicContact CG-CD2 4.11Å
160E90.9Very high84.9Confident107 Ų10735 Ų3550%0.519%0.193SC..Hα-helixtrans-65.8-42.5179.6-63.670.4-156.800111.1C158 K163 S164C158-E160 VanDerWaalsContact C-N 3.26Å; C158-E160 PolarHBondContact O-N 2.97Å; C158-E160 PolarHBondContact SG-OE2 2.88Å; E160-K163 PolarHBondContact O-N 3.39Å; E160-S164 PolarHBondContact O-N 2.79Å
161V91.4Very high86.1Confident29 Ų2935.9 Ų35.918%0.17620%0.201CC..Hα-helixtrans-58.8-53.3172173.50000109.3F105 S106 C158 K163 S164 Y165F105-V161 HydrophobicContact CD1-CB 4.1Å; F105-V161 HydrophobicContact CD1-CG1 3.83Å; F105-V161 HydrophobicContact CE1-CB 4.3Å; F105-V161 HydrophobicContact CE1-CG1 4.24Å; S106-V161 WeakPolarHBondContact OG-CG1 3.24Å; C158-V161 HydrophobicContact CB-CB 4.11Å; C158-V161 HydrophobicContact CB-CG2 3.83Å; C158-V161 PolarHBondContact O-N 3.08Å; V161-K163 VanDerWaalsContact C-N 3.29Å; V161-K163 PolarHBondContact O-N 2.95Å; V161-S164 WeakPolarHBondContact O-CB 3.41Å; V161-S164 PolarHBondContact O-N 3.29Å; V161-S164 VanDerWaalsContact O-N 3.08Å; V161-S164 PolarHBondContact O-OG 3.36Å; V161-Y165 HydrophobicContact CG1-CD2 4.23Å; V161-Y165 HydrophobicContact CG1-CE2 4.08Å; V161-Y165 VanDerWaalsContact O-CD2 3.29Å; V161-Y165 WeakPolarHBondContact O-CD2 3.49Å; V161-Y165 PolarHBondContact O-N 2.92Å
162A93.4Very high87.2Confident0 Ų031.9 Ų31.90%018%0.179CC..Hα-helixtrans-52.6-47178.800000112F105 C158 P159 S164 Y165 G166 H167 L169F105-A162 HydrophobicContact CE1-CB 4.04Å; F105-A162 HydrophobicContact CZ-CB 4.16Å; C158-A162 PolarHBondContact O-N 3.46Å; C158-A162 VanDerWaalsContact O-N 3.1Å; P159-A162 PolarHBondContact O-N 3.24Å; A162-S164 PolarHBondContact O-N 2.87Å; A162-Y165 PolarHBondContact O-N 3.33Å; A162-Y165 VanDerWaalsContact O-N 3.14Å; A162-G166 PolarHBondContact O-N 2.87Å; A162-H167 CarbonylContact C-O 3.54Å; A162-H167 HydrophobicContact CB-CB 4.09Å; A162-H167 WeakPolarHBondContact O-CA 3.35Å; A162-H167 WeakPolarHBondContact O-CB 3.28Å; A162-H167 PolarHBondContact O-N 2.92Å; A162-L169 HydrophobicContact CB-CB 4.41Å
163K94.6Very high88.2Confident120 Ų12032.3 Ų32.352%0.52218%0.183SC..Hα-helixtrans-63.5-38.4178.8-75.7177.1179.2178.30113.4P159 E160 V161 Y165 G166 H167 E168P159-K163 WeakPolarHBondContact O-CB 3.46Å; P159-K163 WeakPolarHBondContact O-CG 3.29Å; P159-K163 PolarHBondContact O-N 3.37Å; E160-K163 PolarHBondContact O-N 3.39Å; V161-K163 VanDerWaalsContact C-N 3.29Å; V161-K163 PolarHBondContact O-N 2.95Å; K163-Y165 PolarHBondContact O-N 3.1Å; K163-G166 PolarHBondContact O-N 3.25Å; K163-H167 WeakPolarHBondContact CA-O 3.45Å; K163-H167 PolarHBondContact N-O 2.78Å; K163-E168 WeakPolarHBondContact CE-OE2 3.16Å
164S95.3Very high88.6Confident86 Ų8633 Ų3360%0.60119%0.186SC*.Hα-helixtrans-60-26.1175.877.40000113.1E160 V161 A162E160-S164 PolarHBondContact O-N 2.79Å; V161-S164 WeakPolarHBondContact O-CB 3.41Å; V161-S164 PolarHBondContact O-N 3.29Å; V161-S164 VanDerWaalsContact O-N 3.08Å; V161-S164 PolarHBondContact O-OG 3.36Å; A162-S164 PolarHBondContact O-N 2.87Å
165Y95.9Very high88.8Confident59 Ų5934.2 Ų34.223%0.23119%0.193CC..THydrogen-bonded Turntrans-93.71.7173.9-71.1-87.9000113.5C109 D110 R113 V161 A162 K163C109-Y165 HydrophobicContact CB-CD1 4.23Å; C109-Y165 HydrophobicContact CB-CD2 3.55Å; C109-Y165 HydrophobicContact CB-CE2 4.14Å; C109-Y165 HydrophobicContact CB-CG 3.63Å; D110-Y165 HydrophobicContact CB-CD1 4.2Å; D110-Y165 HydrophobicContact CB-CE1 3.65Å; R113-Y165 VanDerWaalsContact CD-O 3.24Å; R113-Y165 WeakPolarHBondContact CD-O 3.07Å; V161-Y165 HydrophobicContact CG1-CD2 4.23Å; V161-Y165 HydrophobicContact CG1-CE2 4.08Å; V161-Y165 VanDerWaalsContact O-CD2 3.29Å; V161-Y165 WeakPolarHBondContact O-CD2 3.49Å; V161-Y165 PolarHBondContact O-N 2.92Å; A162-Y165 PolarHBondContact O-N 3.33Å; A162-Y165 VanDerWaalsContact O-N 3.14Å; K163-Y165 PolarHBondContact O-N 3.1Å
166G94.6Very high88.8Confident27 Ų2734.1 Ų34.128%0.27819%0.193SC..THydrogen-bonded Turntrans79.522.4-177.800000113.9K118 A162 K163K118-G166 WeakPolarHBondContact CB-O 3.46Å; K118-G166 WeakPolarHBondContact CG-O 3.41Å; A162-G166 PolarHBondContact O-N 2.87Å; K163-G166 PolarHBondContact O-N 3.25Å
167H97.2Very high88.8Confident0 Ų036.2 Ų36.20%020%0.204CC..  trans-100.8158.3174.1-53.8-52.9000111.6C109 G117 C119 I121 A162 K163C109-H167 PolarHBondContact O-NE2 3.02Å; G117-H167 PolarHBondContact O-CE1 3.29Å; G117-H167 VanDerWaalsContact O-CE1 3.28Å; C119-H167 WeakPolarHBondContact CB-ND1 3.14Å; C119-H167 PolarHBondContact N-ND1 3.27Å; C119-H167 VanDerWaalsContact N-ND1 3.19Å; C119-H167 CarbonylContact O-C 3.43Å; C119-H167 WeakPolarHBondContact O-CA 3.36Å; C119-H167 VanDerWaalsContact O-CB 3.28Å; C119-H167 WeakPolarHBondContact O-CB 3.35Å; I121-H167 HydrophobicContact CD1-CB 3.74Å; I121-H167 HydrophobicContact CG1-CB 4.29Å; A162-H167 CarbonylContact C-O 3.54Å; A162-H167 HydrophobicContact CB-CB 4.09Å; A162-H167 WeakPolarHBondContact O-CA 3.35Å; A162-H167 WeakPolarHBondContact O-CB 3.28Å; A162-H167 PolarHBondContact O-N 2.92Å; K163-H167 WeakPolarHBondContact CA-O 3.45Å; K163-H167 PolarHBondContact N-O 2.78Å
168E96.3Very high88.7Confident63 Ų6340 Ų4029%0.29422%0.218SC..EExtended strand (participates in β ladder)trans-114.4140.6167.3-74.3-63.8161.500109.3L36 F41 C119 V120 I121 K163L36-E168 HydrophobicContact CD1-CB 4.22Å; L36-E168 HydrophobicContact CD2-CB 4.19Å; L36-E168 HydrophobicContact CD2-CG 3.94Å; F41-E168 HydrophobicContact CD1-CB 4.49Å; F41-E168 HydrophobicContact CD1-CG 4.4Å; F41-E168 HydrophobicContact CE1-CB 4.21Å; F41-E168 HydrophobicContact CE1-CG 3.7Å; F41-E168 HydrophobicContact CZ-CG 3.91Å; C119-E168 PolarHBondContact O-N 2.89Å; V120-E168 CarbonylContact C-O 3.48Å; V120-E168 VanDerWaalsContact CA-O 3.3Å; V120-E168 WeakPolarHBondContact CA-O 3.37Å; I121-E168 PolarHBondContact N-O 2.84Å; K163-E168 WeakPolarHBondContact CE-OE2 3.16Å
169L93.8Very high88.8Confident26 Ų2638.8 Ų38.814%0.13621%0.211CC..EExtended strand (participates in β ladder)trans-101.1130.1178.8-166.467.5000109.2F105 I121 V123 I150 C157 P159 A162F105-L169 HydrophobicContact CZ-CD1 4.12Å; I121-L169 HydrophobicContact CB-CD1 3.88Å; I121-L169 HydrophobicContact CG2-CD1 3.77Å; V123-L169 HydrophobicContact CG1-CD1 4Å; V123-L169 HydrophobicContact CG2-CD1 3.8Å; V123-L169 HydrophobicContact CG2-CG 4.04Å; I150-L169 HydrophobicContact CB-CD2 4.12Å; I150-L169 HydrophobicContact CD1-CD2 3.72Å; I150-L169 HydrophobicContact CD1-CG 3.89Å; I150-L169 HydrophobicContact CG1-CD2 4.14Å; C157-L169 HydrophobicContact CB-CD1 4.18Å; C157-L169 HydrophobicContact CB-CD2 3.81Å; C157-L169 WeakPolarHBondContact O-CD2 3.4Å; P159-L169 HydrophobicContact CG-CD2 4.11Å; A162-L169 HydrophobicContact CB-CB 4.41Å
170L92.9Very high88.9Confident22 Ų2238 Ų3812%0.11521%0.205CC..EExtended strand (participates in β ladder)trans-128.5119.1-179-172.365.3000110.2Y29 T32 L33 V120 I121 V122 V123Y29-L170 HydrophobicContact CD2-CD1 4.24Å; Y29-L170 HydrophobicContact CD2-CD2 3.66Å; Y29-L170 HydrophobicContact CD2-CG 3.77Å; Y29-L170 HydrophobicContact CE2-CD2 3.36Å; Y29-L170 HydrophobicContact CE2-CG 3.65Å; T32-L170 HydrophobicContact CG2-CD1 3.9Å; L33-L170 HydrophobicContact CB-CD2 3.87Å; L33-L170 HydrophobicContact CD1-CD2 4.05Å; V120-L170 HydrophobicContact CG2-CB 3.73Å; V120-L170 HydrophobicContact CG2-CD2 4.13Å; I121-L170 PolarHBondContact O-N 2.85Å; V122-L170 VanDerWaalsContact CA-O 3.31Å; V122-L170 WeakPolarHBondContact CA-O 3.46Å; V122-L170 HydrophobicContact CG2-CD2 4.49Å; V123-L170 PolarHBondContact N-O 2.87Å
171S90.3Very high89.1Confident29 Ų2933 Ų3320%0.20318%0.182CC..EExtended strand (participates in β ladder)trans-74.5131172.5-177.80000110.4Y29 V123 E125 P173Y29-S171 WeakPolarHBondContact CD2-O 3.36Å; V123-S171 CarbonylContact O-C 3.42Å; V123-S171 WeakPolarHBondContact O-CA 3.46Å; E125-S171 WeakPolarHBondContact CB-OG 3.3Å; E125-S171 PolarHBondContact OE2-OG 3Å; S171-P173 VanDerWaalsContact O-CD 3.31Å; S171-P173 WeakPolarHBondContact O-CD 3.47Å
172L88.6Confident89.2Confident1 Ų131.6 Ų31.61%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-81.6116.1169.6179.871.1000109.7Y29 V122 V123 C176 L179 N180Y29-L172 HydrophobicContact CD1-CD1 4.25Å; Y29-L172 HydrophobicContact CD2-CD1 4.5Å; Y29-L172 HydrophobicContact CE1-CD1 3.68Å; Y29-L172 HydrophobicContact CE2-CB 4.44Å; Y29-L172 HydrophobicContact CE2-CD1 3.92Å; Y29-L172 VanDerWaalsContact CZ-CD1 3.5Å; V122-L172 HydrophobicContact CG1-CB 4.08Å; V123-L172 PolarHBondContact O-N 3.14Å; L172-C176 HydrophobicContact CD1-CB 4.31Å; L172-L179 HydrophobicContact CD1-CB 4.05Å; L172-N180 HydrophobicContact CD2-CB 3.64Å
173P84.7Confident89.2Confident21 Ų2133.8 Ų33.814%0.13619%0.185CC..PPolyproline II helixtrans-66.9145.9-177.719.8-26.9000112.8Q25 Y29 S171 P175 C176Q25-P173 HydrophobicContact CB-CB 4.43Å; Y29-P173 HydrophobicContact CG-CG 4.13Å; S171-P173 VanDerWaalsContact O-CD 3.31Å; S171-P173 WeakPolarHBondContact O-CD 3.47Å; P173-P175 WeakPolarHBondContact O-CD 3.49Å; P173-C176 HydrophobicContact CG-CB 4.46Å; P173-C176 VanDerWaalsContact CG-SG 3.6Å; P173-C176 PolarHBondContact O-N 2.98Å
174S70.8Confident89.1Confident38 Ų3830.7 Ų30.727%0.26618%0.178SC..THydrogen-bonded Turntrans-67.9-8.6-167.3-157.40000118.8R127R127-S174 VanDerWaalsContact CZ-OG 3.24Å; R127-S174 PolarHBondContact NE-OG 3.11Å; R127-S174 PolarHBondContact NH2-O 2.77Å; R127-S174 PolarHBondContact NH2-OG 3.2Å
175P71.9Confident89.2Confident41 Ų4126.6 Ų26.627%0.26615%0.15SC..THydrogen-bonded Turntrans-90.3-9.5162.933.4-31.7000113.2K22 P173 Y178K22-P175 HydrophobicContact CB-CB 4.04Å; K22-P175 HydrophobicContact CB-CG 3.73Å; K22-P175 HydrophobicContact CD-CB 4.03Å; K22-P175 HydrophobicContact CD-CG 4.4Å; K22-P175 HydrophobicContact CG-CB 4.03Å; K22-P175 HydrophobicContact CG-CG 3.84Å; P173-P175 WeakPolarHBondContact O-CD 3.49Å; P175-Y178 WeakPolarHBondContact O-CE1 3.44Å
176C78.1Confident89.1Confident0 Ų024.1 Ų24.10%014%0.14CC..  trans-10724.9-169.1-27.10000112.9C26 L172 P173 Y178 L179C26-C176 WeakPolarHBondContact CA-SG 3.36Å; C26-C176 HydrophobicContact CB-CB 4.22Å; C26-C176 WeakPolarHBondContact CB-SG 2.98Å; C26-C176 WeakPolarHBondContact SG-CB 3.3Å; C26-C176 CovalentContact SG-SG 2.03Å; C26-C176 PolarHBondContact SG-SG 3.1Å; L172-C176 HydrophobicContact CD1-CB 4.31Å; P173-C176 HydrophobicContact CG-CB 4.46Å; P173-C176 VanDerWaalsContact CG-SG 3.6Å; P173-C176 PolarHBondContact O-N 2.98Å; C176-Y178 PolarHBondContact O-N 3.17Å; C176-Y178 VanDerWaalsContact O-N 3.08Å; C176-L179 HydrophobicContact CB-CD1 3.71Å; C176-L179 HydrophobicContact CB-CG 4.19Å; C176-L179 VanDerWaalsContact O-CB 3.26Å; C176-L179 WeakPolarHBondContact O-CB 3.28Å; C176-L179 PolarHBondContact O-N 3.25Å
177N81.3Confident89.1Confident47 Ų4726.4 Ų26.425%0.25115%0.152SC..G310 helixtrans-53.9-31.5-178.5-67-21.7000113.7K124 L179 N180K124-N177 VanDerWaalsContact CE-CG 3.5Å; K124-N177 VanDerWaalsContact CE-OD1 3.27Å; K124-N177 WeakPolarHBondContact CE-OD1 3.41Å; N177-L179 PolarHBondContact O-N 3.49Å; N177-L179 VanDerWaalsContact O-N 3.09Å; N177-N180 WeakPolarHBondContact O-CB 3.5Å; N177-N180 PolarHBondContact O-N 2.85Å
178Y83.9Confident89.1Confident79 Ų7929 Ų2931%0.3117%0.17SC..G310 helixtrans-64.5-10175.358.6-96.1000113.9P175 C176 N180 W242 Y246P175-Y178 WeakPolarHBondContact O-CE1 3.44Å; C176-Y178 PolarHBondContact O-N 3.17Å; C176-Y178 VanDerWaalsContact O-N 3.08Å; Y178-N180 VanDerWaalsContact C-N 3.29Å; Y178-W242 HydrophobicContact CD2-CB 4.15Å; Y178-W242 HydrophobicContact CD2-CD2 4.34Å; Y178-W242 HydrophobicContact CD2-CG 4.03Å; Y178-W242 HydrophobicContact CE2-CB 4.24Å; Y178-W242 HydrophobicContact CE2-CG 4.42Å; Y178-Y246 HydrophobicContact CE2-CD2 4.31Å; Y178-Y246 AromaticContact CE2-CE2 3.63Å; Y178-Y246 HydrophobicContact CE2-CE2 3.63Å; Y178-Y246 AromaticContact CZ-CE2 3.64Å; Y178-Y246 AromaticContact CZ-CZ 3.92Å; Y178-Y246 WeakPolarHBondContact OH-CE2 3.11Å; Y178-Y246 PolarHBondContact OH-OH 3.34Å
179L89.8Confident89.1Confident0 Ų026.1 Ų26.10%016%0.157CC..G310 helixtrans-86.53.7170.5-57.3176.9000112.8Y29 L30 L172 C176 N177 V239 W242 E243Y29-L179 HydrophobicContact CD1-CD1 4.15Å; Y29-L179 HydrophobicContact CE1-CD1 4.01Å; L30-L179 HydrophobicContact CD1-CD1 4.28Å; L30-L179 HydrophobicContact CD2-CD1 3.86Å; L30-L179 HydrophobicContact CG-CD1 4.12Å; L172-L179 HydrophobicContact CD1-CB 4.05Å; C176-L179 HydrophobicContact CB-CD1 3.71Å; C176-L179 HydrophobicContact CB-CG 4.19Å; C176-L179 VanDerWaalsContact O-CB 3.26Å; C176-L179 WeakPolarHBondContact O-CB 3.28Å; C176-L179 PolarHBondContact O-N 3.25Å; N177-L179 PolarHBondContact O-N 3.49Å; N177-L179 VanDerWaalsContact O-N 3.09Å; L179-V239 WeakPolarHBondContact O-CG1 3.33Å; L179-W242 HydrophobicContact CD2-CB 3.72Å; L179-E243 HydrophobicContact CD2-CG 4.08Å
180N91.8Very high89.2Confident4 Ų428 Ų282%0.02116%0.164CC..  trans-103.7113.1171.7-163.2-20.5000110.7L172 N177 Y178 L182 D183L172-N180 HydrophobicContact CD2-CB 3.64Å; N177-N180 WeakPolarHBondContact O-CB 3.5Å; N177-N180 PolarHBondContact O-N 2.85Å; Y178-N180 VanDerWaalsContact C-N 3.29Å; N180-L182 PolarHBondContact O-N 3.27Å; N180-L182 VanDerWaalsContact OD1-CB 3.23Å; N180-L182 WeakPolarHBondContact OD1-CB 3.49Å; N180-L182 PolarHBondContact OD1-N 2.88Å; N180-D183 PolarHBondContact O-N 3.11Å
181P94.5Very high89.4Confident0 Ų035.3 Ų35.30%019%0.19CC..Hα-helixtrans-66.5-21175.827.2-32.3000112.9Y45 D183 S184 A185 W232 L235 T236 V239Y45-P181 HydrophobicContact CD1-CG 4.3Å; Y45-P181 HydrophobicContact CD2-CG 3.51Å; Y45-P181 VanDerWaalsContact CE1-CD 3.49Å; Y45-P181 HydrophobicContact CE1-CG 4.29Å; Y45-P181 HydrophobicContact CE2-CG 3.5Å; Y45-P181 HydrophobicContact CG-CG 3.92Å; Y45-P181 VanDerWaalsContact CZ-CD 3.49Å; P181-D183 VanDerWaalsContact C-N 3.33Å; P181-D183 PolarHBondContact O-N 2.77Å; P181-S184 PolarHBondContact O-N 2.98Å; P181-A185 PolarHBondContact O-N 3.41Å; P181-W232 HydrophobicContact CB-CH2 3.56Å; P181-W232 HydrophobicContact CB-CZ2 4.04Å; P181-W232 HydrophobicContact CB-CZ3 3.95Å; P181-W232 HydrophobicContact CG-CH2 3.46Å; P181-W232 VanDerWaalsContact CG-CH2 3.46Å; P181-W232 HydrophobicContact CG-CZ2 3.7Å; P181-W232 HydrophobicContact CG-CZ3 4.34Å; P181-L235 HydrophobicContact CB-CB 4.23Å; P181-T236 HydrophobicContact CB-CG2 4.03Å; P181-T236 HydrophobicContact CG-CG2 4.09Å; P181-V239 HydrophobicContact CB-CG2 4.04Å; P181-V239 HydrophobicContact CG-CG2 4.49Å
182L94.6Very high89.7Confident0 Ų035 Ų350%019%0.185CC..Hα-helixtrans-63.3-35.6177.6-70.1178.1000112.7A78 W83 N180 S184 A185 W186 W232A78-L182 HydrophobicContact CB-CD2 3.91Å; W83-L182 HydrophobicContact CH2-CD2 3.94Å; W83-L182 HydrophobicContact CZ3-CD2 3.54Å; N180-L182 PolarHBondContact O-N 3.27Å; N180-L182 VanDerWaalsContact OD1-CB 3.23Å; N180-L182 WeakPolarHBondContact OD1-CB 3.49Å; N180-L182 PolarHBondContact OD1-N 2.88Å; L182-S184 PolarHBondContact O-N 2.93Å; L182-A185 CarbonylContact O-C 3.45Å; L182-A185 WeakPolarHBondContact O-CB 3.46Å; L182-A185 PolarHBondContact O-N 3.12Å; L182-W186 HydrophobicContact CD2-CZ2 4.2Å; L182-W186 WeakPolarHBondContact O-CB 3.4Å; L182-W186 VanDerWaalsContact O-CD1 3.27Å; L182-W186 PolarHBondContact O-N 3.28Å; L182-W232 HydrophobicContact CD2-CH2 3.97Å; L182-W232 HydrophobicContact CD2-CZ3 4.21Å; L182-W232 HydrophobicContact CG-CH2 4.39Å
183D91.4Very high90Very high46 Ų4634.9 Ų34.925%0.24618%0.184CC..Hα-helixtrans-58.2-40.1180-80.5-10.6000110.5K124 N180 P181 S187K124-D183 IonicContact NZ-OD1 3.51Å; K124-D183 PolarHBondContact NZ-OD1 2.75Å; K124-D183 VanDerWaalsContact NZ-OD1 3.11Å; K124-D183 IonicContact NZ-OD2 3.73Å; K124-D183 PolarHBondContact NZ-OD2 3.06Å; N180-D183 PolarHBondContact O-N 3.11Å; P181-D183 VanDerWaalsContact C-N 3.33Å; P181-D183 PolarHBondContact O-N 2.77Å; D183-S187 PolarHBondContact O-N 3.1Å; D183-S187 PolarHBondContact O-OG 3.41Å; D183-S187 VanDerWaalsContact O-OG 3.12Å
184S93.8Very high90.5Very high55 Ų5537 Ų3739%0.38519%0.194SC..Hα-helixtrans-72.4-34.9175.8-64.70000113.2P181 L182 S188P181-S184 PolarHBondContact O-N 2.98Å; L182-S184 PolarHBondContact O-N 2.93Å; S184-S188 WeakPolarHBondContact O-CB 3.31Å; S184-S188 PolarHBondContact O-N 2.87Å; S184-S188 PolarHBondContact O-OG 2.61Å
185A96.2Very high91.6Very high0 Ų039.4 Ų39.40%020%0.204CC..Hα-helixtrans-66.1-41.6175.100000111.1W83 P181 L182 S188 L189 I227 W232 L235W83-A185 HydrophobicContact CH2-CB 3.89Å; W83-A185 HydrophobicContact CZ2-CB 4.06Å; P181-A185 PolarHBondContact O-N 3.41Å; L182-A185 CarbonylContact O-C 3.45Å; L182-A185 WeakPolarHBondContact O-CB 3.46Å; L182-A185 PolarHBondContact O-N 3.12Å; A185-S188 WeakPolarHBondContact O-CB 3.23Å; A185-S188 PolarHBondContact O-N 3Å; A185-L189 PolarHBondContact O-N 3.23Å; A185-I227 HydrophobicContact CB-CG1 4.34Å; A185-I227 HydrophobicContact CB-CG2 4.3Å; A185-W232 HydrophobicContact CB-CZ3 4.1Å; A185-L235 HydrophobicContact CB-CD1 4.03Å
186W95.6Very high92.7Very high7 Ų738.7 Ų38.73%0.02720%0.198CC..Hα-helixtrans-65.1-43.2174.5-61.9156.5000113.1T49 H76 W83 L182 S188 L189 K190T49-W186 HydrophobicContact CG2-CB 4.12Å; T49-W186 HydrophobicContact CG2-CD2 3.88Å; T49-W186 HydrophobicContact CG2-CE3 4.16Å; T49-W186 HydrophobicContact CG2-CG 3.88Å; H76-W186 HydrophobicContact CB-CH2 3.57Å; H76-W186 HydrophobicContact CB-CZ2 4.05Å; W83-W186 AromaticContact CH2-CE3 3.96Å; W83-W186 HydrophobicContact CH2-CE3 3.96Å; W83-W186 AromaticContact CH2-CH2 3.45Å; W83-W186 HydrophobicContact CH2-CH2 3.45Å; W83-W186 VanDerWaalsContact CH2-CH2 3.45Å; W83-W186 HydrophobicContact CH2-CZ2 4.18Å; W83-W186 AromaticContact CH2-CZ3 3.3Å; W83-W186 HydrophobicContact CH2-CZ3 3.3Å; W83-W186 HydrophobicContact CZ2-CH2 4.47Å; W83-W186 HydrophobicContact CZ2-CZ3 4.02Å; W83-W186 AromaticContact CZ3-CH2 3.61Å; W83-W186 HydrophobicContact CZ3-CH2 3.61Å; W83-W186 HydrophobicContact CZ3-CZ2 4.19Å; W83-W186 AromaticContact CZ3-CZ3 3.97Å; W83-W186 HydrophobicContact CZ3-CZ3 3.97Å; L182-W186 HydrophobicContact CD2-CZ2 4.2Å; L182-W186 WeakPolarHBondContact O-CB 3.4Å; L182-W186 VanDerWaalsContact O-CD1 3.27Å; L182-W186 PolarHBondContact O-N 3.28Å; W186-S188 VanDerWaalsContact C-N 3.25Å; W186-S188 PolarHBondContact O-N 3.3Å; W186-L189 HydrophobicContact CE3-CD2 4.05Å; W186-L189 HydrophobicContact CZ3-CD2 4.13Å; W186-L189 PolarHBondContact O-N 3.29Å; W186-K190 WeakPolarHBondContact O-CG 3Å; W186-K190 PolarHBondContact O-N 3.32Å
187S94.3Very high93.4Very high75 Ų7541.6 Ų41.652%0.52421%0.209SC..Hα-helixtrans-58.4-41.1170.5-64.60000111.8D183 K190 W191D183-S187 PolarHBondContact O-N 3.1Å; D183-S187 PolarHBondContact O-OG 3.41Å; D183-S187 VanDerWaalsContact O-OG 3.12Å; S187-K190 PolarHBondContact O-N 3Å; S187-W191 WeakPolarHBondContact O-CB 3.5Å; S187-W191 PolarHBondContact O-N 3.46Å
188S95.9Very high93.8Very high55 Ų5547.1 Ų47.139%0.38523%0.231SC..Hα-helixtrans-66.5-37.8178.1-57.70000112.4S184 A185 W186 W191 F192S184-S188 WeakPolarHBondContact O-CB 3.31Å; S184-S188 PolarHBondContact O-N 2.87Å; S184-S188 PolarHBondContact O-OG 2.61Å; A185-S188 WeakPolarHBondContact O-CB 3.23Å; A185-S188 PolarHBondContact O-N 3Å; W186-S188 VanDerWaalsContact C-N 3.25Å; W186-S188 PolarHBondContact O-N 3.3Å; S188-W191 PolarHBondContact O-N 3.48Å; S188-F192 WeakPolarHBondContact O-CB 3.35Å; S188-F192 PolarHBondContact O-N 3.21Å
189L96.8Very high94.3Very high2 Ų250.4 Ų50.41%0.0125%0.249CC..Hα-helixtrans-62.8-48173172.860.8000111.3I74 A185 W186 W191 F192 I193 I220 I224I74-L189 HydrophobicContact CD1-CD2 4.12Å; A185-L189 PolarHBondContact O-N 3.23Å; W186-L189 HydrophobicContact CE3-CD2 4.05Å; W186-L189 HydrophobicContact CZ3-CD2 4.13Å; W186-L189 PolarHBondContact O-N 3.29Å; L189-W191 VanDerWaalsContact C-N 3.29Å; L189-W191 PolarHBondContact O-N 3.35Å; L189-F192 WeakPolarHBondContact O-CA 3.43Å; L189-F192 WeakPolarHBondContact O-CB 3.34Å; L189-F192 PolarHBondContact O-N 2.96Å; L189-F192 VanDerWaalsContact O-N 3.08Å; L189-I193 HydrophobicContact CD1-CD1 4.21Å; L189-I193 HydrophobicContact CD1-CG1 4.36Å; L189-I193 HydrophobicContact CG-CD1 4.1Å; L189-I193 WeakPolarHBondContact O-CG1 3.49Å; L189-I193 PolarHBondContact O-N 3.2Å; L189-I220 HydrophobicContact CD1-CD1 4.42Å; L189-I224 HydrophobicContact CD1-CG1 4.41Å; L189-I224 HydrophobicContact CD2-CG1 4.22Å
190K96.2Very high94.5Very high67 Ų6751.8 Ų51.829%0.29126%0.255SS..Hα-helixtrans-58.8-43.3176.3-70.5-179.8179.6-1650111.7T49 N50 I51 L55 W186 S187 F192 I193 I194T49-K190 VanDerWaalsContact OG1-CE 3.28Å; T49-K190 WeakPolarHBondContact OG1-CE 3.41Å; N50-K190 WeakPolarHBondContact O-CE 3.34Å; N50-K190 PolarHBondContact O-NZ 3.3Å; I51-K190 HydrophobicContact CD1-CD 4.35Å; I51-K190 HydrophobicContact CD1-CG 3.62Å; L55-K190 HydrophobicContact CD2-CB 4.06Å; L55-K190 HydrophobicContact CD2-CD 4.28Å; L55-K190 HydrophobicContact CD2-CG 3.84Å; W186-K190 WeakPolarHBondContact O-CG 3Å; W186-K190 PolarHBondContact O-N 3.32Å; S187-K190 PolarHBondContact O-N 3Å; K190-F192 VanDerWaalsContact C-N 3.33Å; K190-F192 PolarHBondContact O-N 2.94Å; K190-I193 PolarHBondContact O-N 2.99Å; K190-I194 WeakPolarHBondContact O-CG1 3.45Å; K190-I194 PolarHBondContact O-N 3.03Å
191W96.3Very high94.4Very high175 Ų17552.8 Ų52.866%0.66326%0.262SS*.Hα-helixtrans-61.6-42.2174.1-120.579.8000111.8S187 S188 L189 I193 I194 N195S187-W191 WeakPolarHBondContact O-CB 3.5Å; S187-W191 PolarHBondContact O-N 3.46Å; S188-W191 PolarHBondContact O-N 3.48Å; L189-W191 VanDerWaalsContact C-N 3.29Å; L189-W191 PolarHBondContact O-N 3.35Å; W191-I193 PolarHBondContact O-N 3.28Å; W191-I194 PolarHBondContact O-N 2.79Å; W191-N195 WeakPolarHBondContact CZ3-ND2 3.42Å; W191-N195 PolarHBondContact O-N 2.9Å; W191-N195 VanDerWaalsContact O-N 3.15Å; W191-N195 PolarHBondContact O-ND2 3.41Å
192F96.8Very high94.1Very high21 Ų2157.3 Ų57.39%0.09229%0.285CS..Hα-helixtrans-59.9-47.1175.7-179.8-94.8000111.7S188 L189 K190 I194 N195 N196 F200 L219 K222 R226S188-F192 WeakPolarHBondContact O-CB 3.35Å; S188-F192 PolarHBondContact O-N 3.21Å; L189-F192 WeakPolarHBondContact O-CA 3.43Å; L189-F192 WeakPolarHBondContact O-CB 3.34Å; L189-F192 PolarHBondContact O-N 2.96Å; L189-F192 VanDerWaalsContact O-N 3.08Å; K190-F192 VanDerWaalsContact C-N 3.33Å; K190-F192 PolarHBondContact O-N 2.94Å; F192-I194 PolarHBondContact O-N 2.96Å; F192-N195 PolarHBondContact O-N 3.3Å; F192-N196 VanDerWaalsContact CD2-ND2 3.27Å; F192-N196 WeakPolarHBondContact CD2-ND2 3.23Å; F192-N196 HydrophobicContact CE1-CB 4.19Å; F192-N196 HydrophobicContact CE2-CB 4.13Å; F192-N196 VanDerWaalsContact CE2-CG 3.47Å; F192-N196 WeakPolarHBondContact CE2-ND2 3.48Å; F192-N196 HydrophobicContact CZ-CB 3.96Å; F192-N196 WeakPolarHBondContact O-CB 3.25Å; F192-N196 PolarHBondContact O-N 2.99Å; F192-N196 PolarHBondContact O-ND2 2.82Å; F192-F200 HydrophobicContact CE1-CE2 4.34Å; F192-F200 HydrophobicContact CE1-CZ 4.43Å; F192-F200 HydrophobicContact CZ-CE2 4.27Å; F192-F200 HydrophobicContact CZ-CZ 4.37Å; F192-L219 HydrophobicContact CD1-CD1 4.27Å; F192-L219 HydrophobicContact CE1-CD1 3.9Å; F192-K222 HydrophobicContact CE1-CB 4.07Å; F192-K222 HydrophobicContact CZ-CB 4.08Å; F192-R226 HydrophobicContact CD2-CG 3.76Å; F192-R226 HydrophobicContact CE2-CG 3.72Å; F192-R226 HydrophobicContact CG-CG 4.49Å; F192-R226 HydrophobicContact CZ-CG 4.4Å
193I95.8Very high93.6Very high0 Ų065 Ų650%032%0.321CS..Hα-helixtrans-54.3-54.6177-68.8163.4000110.4I51 V56 L189 K190 W191 N195 N196 R197 L219 I220I51-I193 HydrophobicContact CD1-CD1 3.79Å; I51-I193 HydrophobicContact CG1-CD1 4.26Å; I51-I193 HydrophobicContact CG2-CD1 4.11Å; V56-I193 HydrophobicContact CB-CG2 4.45Å; V56-I193 HydrophobicContact CG2-CG2 4.08Å; L189-I193 HydrophobicContact CD1-CD1 4.21Å; L189-I193 HydrophobicContact CD1-CG1 4.36Å; L189-I193 HydrophobicContact CG-CD1 4.1Å; L189-I193 WeakPolarHBondContact O-CG1 3.49Å; L189-I193 PolarHBondContact O-N 3.2Å; K190-I193 PolarHBondContact O-N 2.99Å; W191-I193 PolarHBondContact O-N 3.28Å; I193-N195 VanDerWaalsContact C-N 3.28Å; I193-N195 PolarHBondContact O-N 2.89Å; I193-N196 PolarHBondContact O-N 3.41Å; I193-R197 WeakPolarHBondContact O-CB 3.37Å; I193-R197 PolarHBondContact O-N 3.23Å; I193-L219 HydrophobicContact CB-CD2 4.39Å; I193-L219 HydrophobicContact CG1-CD2 4.22Å; I193-L219 HydrophobicContact CG1-CG 4.2Å; I193-L219 HydrophobicContact CG2-CD2 3.98Å; I193-I220 HydrophobicContact CD1-CD1 3.5Å; I193-I220 VanDerWaalsContact CD1-CD1 3.5Å; I193-I220 HydrophobicContact CG1-CD1 4.11Å
194I94.2Very high92.9Very high64 Ų6465.8 Ų65.833%0.32833%0.331SS..Hα-helixtrans-54.2-46.8-178.8-66.7165.7000110.8L55 K190 W191 F192 R197L55-I194 HydrophobicContact CD1-CD1 3.74Å; L55-I194 HydrophobicContact CD1-CG1 3.72Å; L55-I194 HydrophobicContact CG-CG1 4.26Å; K190-I194 WeakPolarHBondContact O-CG1 3.45Å; K190-I194 PolarHBondContact O-N 3.03Å; W191-I194 PolarHBondContact O-N 2.79Å; F192-I194 PolarHBondContact O-N 2.96Å; I194-R197 PolarHBondContact O-NH1 3.49Å
195N95.3Very high92.2Very high90 Ų9069.1 Ų69.148%0.48134%0.343SS..Hα-helixtrans-81.9-24.2-172.3-68-71.1000114.5W191 F192 I193W191-N195 WeakPolarHBondContact CZ3-ND2 3.42Å; W191-N195 PolarHBondContact O-N 2.9Å; W191-N195 VanDerWaalsContact O-N 3.15Å; W191-N195 PolarHBondContact O-ND2 3.41Å; F192-N195 PolarHBondContact O-N 3.3Å; I193-N195 VanDerWaalsContact C-N 3.28Å; I193-N195 PolarHBondContact O-N 2.89Å
196N95.1Very high91.2Very high25 Ų2573.7 Ų73.713%0.13437%0.367CS..Hα-helixtrans-111.4-6.1-171.2-59.2-104.4000112.3F192 I193 K198 E199 F200 L219F192-N196 VanDerWaalsContact CD2-ND2 3.27Å; F192-N196 WeakPolarHBondContact CD2-ND2 3.23Å; F192-N196 HydrophobicContact CE1-CB 4.19Å; F192-N196 HydrophobicContact CE2-CB 4.13Å; F192-N196 VanDerWaalsContact CE2-CG 3.47Å; F192-N196 WeakPolarHBondContact CE2-ND2 3.48Å; F192-N196 HydrophobicContact CZ-CB 3.96Å; F192-N196 WeakPolarHBondContact O-CB 3.25Å; F192-N196 PolarHBondContact O-N 2.99Å; F192-N196 PolarHBondContact O-ND2 2.82Å; I193-N196 PolarHBondContact O-N 3.41Å; N196-K198 PolarHBondContact O-N 3.2Å; N196-E199 WeakPolarHBondContact O-CB 3.41Å; N196-E199 PolarHBondContact O-N 2.92Å; N196-F200 HydrophobicContact CB-CD2 4.47Å; N196-F200 HydrophobicContact CB-CE2 4.13Å; N196-F200 WeakPolarHBondContact O-CD2 3.3Å; N196-L219 HydrophobicContact CB-CD1 4.41Å
197R91.3Very high90.3Very high61 Ų6178.9 Ų78.923%0.2340%0.404CS..G310 helixtrans-44.7-43-175.962.1-178.3-171.2-92.913.7114.3V56 T57 I193 I194 E199 F200 C201V56-R197 WeakPolarHBondContact O-CB 3.42Å; V56-R197 WeakPolarHBondContact O-CD 3.02Å; T57-R197 PolarHBondContact O-NE 2.94Å; I193-R197 WeakPolarHBondContact O-CB 3.37Å; I193-R197 PolarHBondContact O-N 3.23Å; I194-R197 PolarHBondContact O-NH1 3.49Å; R197-E199 VanDerWaalsContact C-N 3.31Å; R197-E199 PolarHBondContact O-N 2.78Å; R197-F200 CarbonylContact O-C 3.54Å; R197-F200 PolarHBondContact O-N 2.92Å; R197-C201 PolarHBondContact O-N 2.85Å; R197-C201 PolarHBondContact O-SG 2.96Å
198K91.6Very high89.6Confident164 Ų16480.2 Ų80.271%0.71341%0.409SS*.G310 helixtrans-63-31.5-179.2-65-171.2176.8-173.30114.1N196 F200 C201N196-K198 PolarHBondContact O-N 3.2Å; K198-F200 PolarHBondContact O-N 3.09Å; K198-C201 WeakPolarHBondContact O-CB 3.39Å; K198-C201 PolarHBondContact O-N 3.08Å
199E93.8Very high88.8Confident148 Ų14884.5 Ų84.569%0.69242%0.418SS*.G310 helixtrans-71.5-16.7177.2-61.5178.4-169.500112.3N196 R197N196-E199 WeakPolarHBondContact O-CB 3.41Å; N196-E199 PolarHBondContact O-N 2.92Å; R197-E199 VanDerWaalsContact C-N 3.31Å; R197-E199 PolarHBondContact O-N 2.78Å
200F93.3Very high88Confident29 Ų2989.1 Ų89.113%0.12745%0.45CS..G310 helixtrans-106.87.3179.7-65.7-100.1000111.9F192 N196 R197 K198 L215 L219 K222F192-F200 HydrophobicContact CE1-CE2 4.34Å; F192-F200 HydrophobicContact CE1-CZ 4.43Å; F192-F200 HydrophobicContact CZ-CE2 4.27Å; F192-F200 HydrophobicContact CZ-CZ 4.37Å; N196-F200 HydrophobicContact CB-CD2 4.47Å; N196-F200 HydrophobicContact CB-CE2 4.13Å; N196-F200 WeakPolarHBondContact O-CD2 3.3Å; R197-F200 CarbonylContact O-C 3.54Å; R197-F200 PolarHBondContact O-N 2.92Å; K198-F200 PolarHBondContact O-N 3.09Å; F200-L215 PolarHBondContact O-N 3.33Å; F200-L219 HydrophobicContact CB-CB 4.23Å; F200-L219 HydrophobicContact CB-CD1 4.34Å; F200-L219 HydrophobicContact CD1-CB 3.92Å; F200-L219 HydrophobicContact CD1-CD1 4.37Å; F200-L219 HydrophobicContact CD2-CB 4.41Å; F200-L219 HydrophobicContact CD2-CD1 3.38Å; F200-L219 HydrophobicContact CD2-CG 4.46Å; F200-L219 HydrophobicContact CE1-CB 4.38Å; F200-L219 HydrophobicContact CE2-CD1 3.66Å; F200-L219 HydrophobicContact CG-CB 3.93Å; F200-L219 HydrophobicContact CG-CD1 3.78Å; F200-L219 HydrophobicContact CG-CG 4.42Å; F200-L219 HydrophobicContact CZ-CD1 4.25Å; F200-K222 HydrophobicContact CE1-CB 4.16Å; F200-K222 HydrophobicContact CE1-CG 3.93Å; F200-K222 HydrophobicContact CZ-CB 3.8Å; F200-K222 HydrophobicContact CZ-CG 3.87Å
201C90.9Very high87.3Confident25 Ų2591.5 Ų91.517%0.16946%0.458CS..EExtended strand (participates in β ladder)trans-85.6135.1176.1-68.70000110.9R197 K198 E212 C213R197-C201 PolarHBondContact O-N 2.85Å; R197-C201 PolarHBondContact O-SG 2.96Å; K198-C201 WeakPolarHBondContact O-CB 3.39Å; K198-C201 PolarHBondContact O-N 3.08Å; C201-E212 HydrophobicContact CB-CG 3.69Å; C201-E212 WeakPolarHBondContact CB-OE1 3.32Å; C201-E212 VanDerWaalsContact SG-CD 3.55Å; C201-E212 PolarHBondContact SG-OE1 3.33Å; C201-C213 CarbonylContact C-O 3.56Å; C201-C213 WeakPolarHBondContact CA-O 3.4Å
202L87.8Confident86.7Confident95 Ų9589 Ų8950%0.49745%0.454SS..EExtended strand (participates in β ladder)trans-111.1130.7167.5-63.6177.5000108.3C213 L215L202-C213 PolarHBondContact N-O 3.3Å; L202-C213 PolarHBondContact O-N 3.21Å; L202-L215 HydrophobicContact CD1-CD1 4.05Å; L202-L215 HydrophobicContact CD1-CD2 3.83Å; L202-L215 HydrophobicContact CD1-CG 3.99Å; L202-L215 HydrophobicContact CG-CD1 4.26Å; L202-L215 HydrophobicContact CG-CG 4.24Å
203Q84.5Confident86.3Confident160 Ų16091.1 Ų91.175%0.74847%0.471SS*.EExtended strand (participates in β ladder)trans-85.4123.9169.8-70.4-177.9-10.700108.9Y211Q203-Y211 WeakPolarHBondContact CA-O 3.27Å
204S76.8Confident86Confident64 Ų6493.1 Ų93.145%0.44848%0.481SS..EExtended strand (participates in β ladder)trans-112.5118.4170.3-176.70000108Y211S204-Y211 PolarHBondContact N-O 3.43Å; S204-Y211 PolarHBondContact O-N 2.87Å
205I77.7Confident86Confident124 Ų12493.9 Ų93.964%0.63649%0.485SS*.EExtended strand (participates in β ladder)trans-108.9115.4-179.5-56172.3000107.2
206D76.3Confident85.9Confident96 Ų9690.9 Ų90.951%0.51347%0.468SS..  trans-95170.4166.9-162.3-7.5000109.3V208 Y209D206-V208 PolarHBondContact O-N 2.98Å; D206-V208 VanDerWaalsContact O-N 3.1Å; D206-Y209 PolarHBondContact N-O 2.92Å
207S76.3Confident85.8Confident116 Ų11692.9 Ų92.981%0.81148%0.484SS*.SBendtrans-54.7-23.7176.2560000114.5
208V79.3Confident85.9Confident103 Ų10392.7 Ų92.762%0.62449%0.492SS*.SBendtrans-121.6-29.1-175.9-174.20000113.2D206D206-V208 PolarHBondContact O-N 2.98Å; D206-V208 VanDerWaalsContact O-N 3.1Å
209Y78.9Confident86.2Confident146 Ų14684.9 Ų84.957%0.57346%0.458SS*.  trans-135.6146.5-171.9-62.9-71.3000112.3D206 Y211D206-Y209 PolarHBondContact N-O 2.92Å; Y209-Y211 VanDerWaalsContact CB-CE2 3.49Å; Y209-Y211 VanDerWaalsContact CB-CZ 3.46Å; Y209-Y211 WeakPolarHBondContact CB-OH 3.43Å; Y209-Y211 VanDerWaalsContact CD2-OH 3.27Å; Y209-Y211 WeakPolarHBondContact CD2-OH 3.26Å; Y209-Y211 HydrophobicContact CG-CE2 4.44Å
210S79.8Confident86.3Confident98 Ų9877.8 Ų77.869%0.68543%0.425SS*.EExtended strand (participates in β ladder)trans-105.7122.9167.1-62.60000108.9
211Y81.9Confident86.4Confident118 Ų11878.1 Ų78.146%0.46343%0.431SS..EExtended strand (participates in β ladder)trans-110.3143.5177.4-56.8-81.7000110.4Q203 S204 Y209Q203-Y211 WeakPolarHBondContact CA-O 3.27Å; S204-Y211 PolarHBondContact N-O 3.43Å; S204-Y211 PolarHBondContact O-N 2.87Å; Y209-Y211 VanDerWaalsContact CB-CE2 3.49Å; Y209-Y211 VanDerWaalsContact CB-CZ 3.46Å; Y209-Y211 WeakPolarHBondContact CB-OH 3.43Å; Y209-Y211 VanDerWaalsContact CD2-OH 3.27Å; Y209-Y211 WeakPolarHBondContact CD2-OH 3.26Å; Y209-Y211 HydrophobicContact CG-CE2 4.44Å
212E84.1Confident86.7Confident123 Ų12381.6 Ų81.658%0.57544%0.443SS*.EExtended strand (participates in β ladder)trans-106.9115.1167.3-168.6172.6-153.600108.5C201C201-E212 HydrophobicContact CB-CG 3.69Å; C201-E212 WeakPolarHBondContact CB-OE1 3.32Å; C201-E212 VanDerWaalsContact SG-CD 3.55Å; C201-E212 PolarHBondContact SG-OE1 3.33Å
213C87.3Confident87.1Confident65 Ų6577.1 Ų77.144%0.43942%0.42SS..EExtended strand (participates in β ladder)trans-105.4126.5-179.8-610000109.9C201 L202C201-C213 CarbonylContact C-O 3.56Å; C201-C213 WeakPolarHBondContact CA-O 3.4Å; L202-C213 PolarHBondContact N-O 3.3Å; L202-C213 PolarHBondContact O-N 3.21Å
214I90.8Very high87.7Confident42 Ų4270 Ų7022%0.21539%0.387CS..EExtended strand (participates in β ladder)trans-94.1127.6177.9-62.3174.8000109.8V56 T57 F216 L219V56-I214 HydrophobicContact CG1-CB 4.48Å; V56-I214 HydrophobicContact CG1-CD1 3.82Å; V56-I214 HydrophobicContact CG1-CG2 3.94Å; V56-I214 WeakPolarHBondContact O-CD1 3.4Å; T57-I214 HydrophobicContact CG2-CD1 4.48Å; I214-F216 PolarHBondContact O-N 3.23Å; I214-L219 HydrophobicContact CG2-CD2 4.14Å
215L93.5Very high88.6Confident80 Ų8072.4 Ų72.442%0.41939%0.391SS..  trans-72.870.2171.1-64.3178.1000110.6F200 L202 S217 S218 L219F200-L215 PolarHBondContact O-N 3.33Å; L202-L215 HydrophobicContact CD1-CD1 4.05Å; L202-L215 HydrophobicContact CD1-CD2 3.83Å; L202-L215 HydrophobicContact CD1-CG 3.99Å; L202-L215 HydrophobicContact CG-CD1 4.26Å; L202-L215 HydrophobicContact CG-CG 4.24Å; L215-S217 PolarHBondContact O-N 3.07Å; L215-S218 WeakPolarHBondContact O-CB 3.31Å; L215-S218 PolarHBondContact O-N 3.05Å; L215-S218 VanDerWaalsContact O-N 3.12Å; L215-L219 PolarHBondContact O-N 3.24Å
216F92.7Very high89.4Confident27 Ų2772.9 Ų72.912%0.11839%0.385CS..Hα-helixtrans-59.7-45.7-166.3-176-128.6000113.5I51 V56 W72 M90 I214 S218 L219 I220I51-F216 HydrophobicContact CB-CZ 4.38Å; I51-F216 HydrophobicContact CG2-CE2 3.97Å; I51-F216 HydrophobicContact CG2-CZ 3.89Å; V56-F216 HydrophobicContact CB-CE2 4.45Å; V56-F216 HydrophobicContact CG1-CD2 3.79Å; V56-F216 HydrophobicContact CG1-CE2 4.11Å; V56-F216 HydrophobicContact CG2-CD2 4.02Å; V56-F216 HydrophobicContact CG2-CE2 3.46Å; V56-F216 VanDerWaalsContact CG2-CE2 3.46Å; V56-F216 HydrophobicContact CG2-CZ 4.23Å; W72-F216 HydrophobicContact CB-CE1 3.87Å; W72-F216 HydrophobicContact CB-CZ 4Å; W72-F216 AromaticContact CD1-CE1 3.6Å; W72-F216 AromaticContact CD1-CZ 3.91Å; W72-F216 HydrophobicContact CD2-CD1 4.32Å; W72-F216 AromaticContact CD2-CE1 3.68Å; W72-F216 HydrophobicContact CD2-CE1 3.68Å; W72-F216 AromaticContact CE2-CE1 3.97Å; W72-F216 HydrophobicContact CE3-CE1 4.36Å; W72-F216 HydrophobicContact CG-CD1 4.41Å; W72-F216 AromaticContact CG-CE1 3.42Å; W72-F216 HydrophobicContact CG-CE1 3.42Å; W72-F216 VanDerWaalsContact CG-CE1 3.42Å; W72-F216 AromaticContact CG-CZ 3.9Å; W72-F216 HydrophobicContact CG-CZ 3.9Å; W72-F216 AromaticContact NE1-CE1 3.91Å; M90-F216 HydrophobicContact CE-CD1 3.98Å; M90-F216 HydrophobicContact CE-CE1 4.1Å; M90-F216 HydrophobicContact SD-CD1 3.78Å; M90-F216 HydrophobicContact SD-CE1 3.37Å; M90-F216 WeakPolarHBondContact SD-CE1 3.33Å; M90-F216 HydrophobicContact SD-CZ 4.26Å; I214-F216 PolarHBondContact O-N 3.23Å; F216-S218 VanDerWaalsContact C-N 3.3Å; F216-S218 PolarHBondContact O-N 3.38Å; F216-L219 WeakPolarHBondContact O-CB 3.38Å; F216-L219 PolarHBondContact O-N 3.28Å; F216-L219 VanDerWaalsContact O-N 3.17Å; F216-I220 HydrophobicContact CD2-CD1 4.33Å; F216-I220 HydrophobicContact CD2-CG1 4.09Å; F216-I220 HydrophobicContact CE1-CG1 4.31Å; F216-I220 HydrophobicContact CE2-CD1 3.6Å; F216-I220 HydrophobicContact CE2-CG1 3.69Å; F216-I220 HydrophobicContact CZ-CD1 3.9Å; F216-I220 HydrophobicContact CZ-CG1 3.83Å; F216-I220 WeakPolarHBondContact O-CG1 3.41Å; F216-I220 PolarHBondContact O-N 2.86Å
217S92.5Very high90.4Very high67 Ų6768.8 Ų68.847%0.46936%0.362SS..Hα-helixtrans-59.1-40.7177.6-176.20000112.5Y88 L215 I220 S221Y88-S217 PolarHBondContact OH-O 3.43Å; L215-S217 PolarHBondContact O-N 3.07Å; S217-I220 PolarHBondContact O-N 3.5Å; S217-S221 WeakPolarHBondContact O-CB 3.37Å; S217-S221 PolarHBondContact O-N 2.84Å; S217-S221 PolarHBondContact O-OG 3.3Å
218S95.3Very high91.2Very high56 Ų5666.2 Ų66.239%0.39234%0.34SS..Hα-helixtrans-67.2-41.6176.6-59.60000111.7L215 F216 S221 K222L215-S218 WeakPolarHBondContact O-CB 3.31Å; L215-S218 PolarHBondContact O-N 3.05Å; L215-S218 VanDerWaalsContact O-N 3.12Å; F216-S218 VanDerWaalsContact C-N 3.3Å; F216-S218 PolarHBondContact O-N 3.38Å; S218-S221 PolarHBondContact O-N 2.9Å; S218-K222 WeakPolarHBondContact O-CB 3.35Å; S218-K222 WeakPolarHBondContact O-CG 3.31Å; S218-K222 PolarHBondContact O-N 3.41Å
219L96.1Very high92Very high0 Ų065 Ų650%033%0.334CS..Hα-helixtrans-60.3-46.1175.9179.865.6000111.2V56 F192 I193 N196 F200 I214 L215 F216 G223V56-L219 HydrophobicContact CG1-CD2 4.23Å; F192-L219 HydrophobicContact CD1-CD1 4.27Å; F192-L219 HydrophobicContact CE1-CD1 3.9Å; I193-L219 HydrophobicContact CB-CD2 4.39Å; I193-L219 HydrophobicContact CG1-CD2 4.22Å; I193-L219 HydrophobicContact CG1-CG 4.2Å; I193-L219 HydrophobicContact CG2-CD2 3.98Å; N196-L219 HydrophobicContact CB-CD1 4.41Å; F200-L219 HydrophobicContact CB-CB 4.23Å; F200-L219 HydrophobicContact CB-CD1 4.34Å; F200-L219 HydrophobicContact CD1-CB 3.92Å; F200-L219 HydrophobicContact CD1-CD1 4.37Å; F200-L219 HydrophobicContact CD2-CB 4.41Å; F200-L219 HydrophobicContact CD2-CD1 3.38Å; F200-L219 HydrophobicContact CD2-CG 4.46Å; F200-L219 HydrophobicContact CE1-CB 4.38Å; F200-L219 HydrophobicContact CE2-CD1 3.66Å; F200-L219 HydrophobicContact CG-CB 3.93Å; F200-L219 HydrophobicContact CG-CD1 3.78Å; F200-L219 HydrophobicContact CG-CG 4.42Å; F200-L219 HydrophobicContact CZ-CD1 4.25Å; I214-L219 HydrophobicContact CG2-CD2 4.14Å; L215-L219 PolarHBondContact O-N 3.24Å; F216-L219 WeakPolarHBondContact O-CB 3.38Å; F216-L219 PolarHBondContact O-N 3.28Å; F216-L219 VanDerWaalsContact O-N 3.17Å; L219-G223 PolarHBondContact O-N 3.39Å
220I96.7Very high92.7Very high0 Ų061.2 Ų61.20%033%0.329CS..Hα-helixtrans-63.9-49.6176.3-65-49.2000111.3I74 Y88 L189 I193 F216 S217 K222 G223 I224I74-I220 HydrophobicContact CD1-CB 4.47Å; I74-I220 HydrophobicContact CD1-CD1 3.5Å; I74-I220 HydrophobicContact CD1-CG1 3.85Å; I74-I220 HydrophobicContact CD1-CG2 3.75Å; Y88-I220 HydrophobicContact CD2-CG2 4.35Å; Y88-I220 HydrophobicContact CE1-CG2 4.44Å; Y88-I220 HydrophobicContact CE2-CG2 3.7Å; L189-I220 HydrophobicContact CD1-CD1 4.42Å; I193-I220 HydrophobicContact CD1-CD1 3.5Å; I193-I220 VanDerWaalsContact CD1-CD1 3.5Å; I193-I220 HydrophobicContact CG1-CD1 4.11Å; F216-I220 HydrophobicContact CD2-CD1 4.33Å; F216-I220 HydrophobicContact CD2-CG1 4.09Å; F216-I220 HydrophobicContact CE1-CG1 4.31Å; F216-I220 HydrophobicContact CE2-CD1 3.6Å; F216-I220 HydrophobicContact CE2-CG1 3.69Å; F216-I220 HydrophobicContact CZ-CD1 3.9Å; F216-I220 HydrophobicContact CZ-CG1 3.83Å; F216-I220 WeakPolarHBondContact O-CG1 3.41Å; F216-I220 PolarHBondContact O-N 2.86Å; S217-I220 PolarHBondContact O-N 3.5Å; I220-K222 VanDerWaalsContact C-N 3.34Å; I220-K222 PolarHBondContact O-N 3.48Å; I220-G223 PolarHBondContact O-N 2.86Å; I220-G223 VanDerWaalsContact O-N 3.13Å; I220-I224 HydrophobicContact CG2-CD1 3.79Å; I220-I224 HydrophobicContact CG2-CG1 4.36Å; I220-I224 WeakPolarHBondContact O-CG1 3.4Å; I220-I224 PolarHBondContact O-N 2.97Å
221S96.2Very high93.4Very high36 Ų3661.1 Ų61.125%0.25232%0.316SS..Hα-helixtrans-55.6-49.4179.3-68.70000111.2Y88 S217 S218 G223 I224 E225Y88-S221 PolarHBondContact OH-OG 2.94Å; S217-S221 WeakPolarHBondContact O-CB 3.37Å; S217-S221 PolarHBondContact O-N 2.84Å; S217-S221 PolarHBondContact O-OG 3.3Å; S218-S221 PolarHBondContact O-N 2.9Å; S221-G223 VanDerWaalsContact C-N 3.34Å; S221-G223 PolarHBondContact O-N 3.48Å; S221-I224 PolarHBondContact O-N 2.03Å; S221-E225 WeakPolarHBondContact O-CG 3.44Å; S221-E225 PolarHBondContact O-N 2.97Å
222K97.1Very high94.1Very high97 Ų9755.5 Ų55.542%0.42229%0.294SS..Hα-helixtrans-64.3-38.2177.8-73.4-72.8163.1-150.30112.4F192 F200 S218 I220 E225 R226F192-K222 HydrophobicContact CE1-CB 4.07Å; F192-K222 HydrophobicContact CZ-CB 4.08Å; F200-K222 HydrophobicContact CE1-CB 4.16Å; F200-K222 HydrophobicContact CE1-CG 3.93Å; F200-K222 HydrophobicContact CZ-CB 3.8Å; F200-K222 HydrophobicContact CZ-CG 3.87Å; S218-K222 WeakPolarHBondContact O-CB 3.35Å; S218-K222 WeakPolarHBondContact O-CG 3.31Å; S218-K222 PolarHBondContact O-N 3.41Å; I220-K222 VanDerWaalsContact C-N 3.34Å; I220-K222 PolarHBondContact O-N 3.48Å; K222-E225 WeakPolarHBondContact CD-OE2 3.44Å; K222-E225 IonicContact NZ-OE1 3.75Å; K222-E225 IonicContact NZ-OE2 3.78Å; K222-E225 PolarHBondContact NZ-OE2 3.22Å; K222-E225 PolarHBondContact O-N 2.72Å; K222-R226 WeakPolarHBondContact O-CG 3.09Å; K222-R226 PolarHBondContact O-N 3.33Å; K222-R226 VanDerWaalsContact O-N 3.17Å
223G96.4Very high94.6Very high1 Ų157.9 Ų57.91%0.0130%0.298CS..Hα-helixtrans-64.5-40.2175.900000113.4L219 I220 S221 R226L219-G223 PolarHBondContact O-N 3.39Å; I220-G223 PolarHBondContact O-N 2.86Å; I220-G223 VanDerWaalsContact O-N 3.13Å; S221-G223 VanDerWaalsContact C-N 3.34Å; S221-G223 PolarHBondContact O-N 3.48Å; G223-R226 WeakPolarHBondContact O-CB 3.25Å; G223-R226 PolarHBondContact O-N 3.49Å
224I96.3Very high95Very high12 Ų1258.3 Ų58.36%0.06230%0.298CS..Hα-helixtrans-65-44.7175.1-70.5174.3000110.4W83 Y88 L189 I220 S221 R226 I227W83-I224 HydrophobicContact CD2-CG2 4.13Å; W83-I224 HydrophobicContact CG-CG2 4.2Å; W83-I224 HydrophobicContact CZ2-CG2 4.26Å; W83-I224 PolarHBondContact NE1-O 2.88Å; Y88-I224 HydrophobicContact CD1-CD1 3.49Å; Y88-I224 VanDerWaalsContact CD1-CD1 3.49Å; Y88-I224 HydrophobicContact CD2-CD1 4.22Å; Y88-I224 HydrophobicContact CE1-CD1 3.9Å; Y88-I224 HydrophobicContact CG-CD1 3.68Å; L189-I224 HydrophobicContact CD1-CG1 4.41Å; L189-I224 HydrophobicContact CD2-CG1 4.22Å; I220-I224 HydrophobicContact CG2-CD1 3.79Å; I220-I224 HydrophobicContact CG2-CG1 4.36Å; I220-I224 WeakPolarHBondContact O-CG1 3.4Å; I220-I224 PolarHBondContact O-N 2.97Å; S221-I224 PolarHBondContact O-N 2.03Å; I224-R226 PolarHBondContact O-N 2.87Å; I224-I227 PolarHBondContact O-N 2.91Å
225E95.6Very high95.2Very high113 Ų11357.2 Ų57.253%0.52829%0.293SS..Hα-helixtrans-58-29.7176.2-74.2172.4-166.200112.9S221 K222 I227S221-E225 WeakPolarHBondContact O-CG 3.44Å; S221-E225 PolarHBondContact O-N 2.97Å; K222-E225 WeakPolarHBondContact CD-OE2 3.44Å; K222-E225 IonicContact NZ-OE1 3.75Å; K222-E225 IonicContact NZ-OE2 3.78Å; K222-E225 PolarHBondContact NZ-OE2 3.22Å; K222-E225 PolarHBondContact O-N 2.72Å; E225-I227 PolarHBondContact O-N 2.89Å
226R95.3Very high95.2Very high135 Ų13555 Ų5551%0.50928%0.283SS..THydrogen-bonded Turntrans-64.5-20176.3-70-65.6-173.7138.56.6113F192 K222 G223 I224 N228 K231F192-R226 HydrophobicContact CD2-CG 3.76Å; F192-R226 HydrophobicContact CE2-CG 3.72Å; F192-R226 HydrophobicContact CG-CG 4.49Å; F192-R226 HydrophobicContact CZ-CG 4.4Å; K222-R226 WeakPolarHBondContact O-CG 3.09Å; K222-R226 PolarHBondContact O-N 3.33Å; K222-R226 VanDerWaalsContact O-N 3.17Å; G223-R226 WeakPolarHBondContact O-CB 3.25Å; G223-R226 PolarHBondContact O-N 3.49Å; I224-R226 PolarHBondContact O-N 2.87Å; R226-N228 PolarHBondContact O-N 2.8Å; R226-K231 VanDerWaalsContact O-CD 3.28Å; R226-K231 WeakPolarHBondContact O-CD 3.42Å; R226-K231 WeakPolarHBondContact O-CE 3.22Å; R226-K231 PolarHBondContact O-NZ 3.38Å
227I96.1Very high95.3Very high9 Ų956.9 Ų56.95%0.04630%0.299CS..SBendtrans-8772.3169.9-53.1-63.7000108.3W83 A185 I224 E225 W232W83-I227 HydrophobicContact CZ2-CB 3.96Å; W83-I227 HydrophobicContact CZ2-CG1 4.21Å; W83-I227 HydrophobicContact CZ2-CG2 4.06Å; W83-I227 PolarHBondContact NE1-O 3.25Å; A185-I227 HydrophobicContact CB-CG1 4.34Å; A185-I227 HydrophobicContact CB-CG2 4.3Å; I224-I227 PolarHBondContact O-N 2.91Å; E225-I227 PolarHBondContact O-N 2.89Å; I227-W232 HydrophobicContact CG2-CB 4.39Å; I227-W232 HydrophobicContact CG2-CE3 4.06Å
228N94.3Very high95.3Very high62 Ų6259.6 Ų59.633%0.33230%0.302SS..  trans-72.9170.6176.666.921.7000111.6R226 S230 K231 W232R226-N228 PolarHBondContact O-N 2.8Å; N228-S230 PolarHBondContact O-N 3.43Å; N228-S230 VanDerWaalsContact O-N 3.14Å; N228-S230 PolarHBondContact OD1-N 3.15Å; N228-S230 PolarHBondContact OD1-OG 3.36Å; N228-K231 PolarHBondContact O-N 2.99Å; N228-K231 WeakPolarHBondContact OD1-CG 3.23Å; N228-K231 PolarHBondContact OD1-N 3.01Å; N228-W232 WeakPolarHBondContact O-CB 3.36Å; N228-W232 PolarHBondContact O-N 2.94Å
229P94.2Very high95.1Very high79 Ų7957.3 Ų57.351%0.51329%0.286SS..Hα-helixtrans-57.2-31.2-177.9-29.437.1000114.8R233P229-R233 WeakPolarHBondContact O-CB 3.41Å; P229-R233 PolarHBondContact O-N 3.14Å
230S94.2Very high94.9Very high65 Ų6564.7 Ų64.746%0.45531%0.314SS..Hα-helixtrans-73.8-42.5179.664.60000112.3N228 R233 T234N228-S230 PolarHBondContact O-N 3.43Å; N228-S230 VanDerWaalsContact O-N 3.14Å; N228-S230 PolarHBondContact OD1-N 3.15Å; N228-S230 PolarHBondContact OD1-OG 3.36Å; S230-R233 PolarHBondContact O-N 2.9Å; S230-T234 PolarHBondContact O-N 3.38Å; S230-T234 PolarHBondContact O-OG1 2.87Å; S230-T234 VanDerWaalsContact O-OG1 3.1Å
231K95.3Very high94.7Very high96 Ų9674.4 Ų74.442%0.41735%0.351SS..Hα-helixtrans-64-44.5171.5-72.5-168.9-165.8164.50111.1R226 N228 R233 T234 L235R226-K231 VanDerWaalsContact O-CD 3.28Å; R226-K231 WeakPolarHBondContact O-CD 3.42Å; R226-K231 WeakPolarHBondContact O-CE 3.22Å; R226-K231 PolarHBondContact O-NZ 3.38Å; N228-K231 PolarHBondContact O-N 2.99Å; N228-K231 WeakPolarHBondContact OD1-CG 3.23Å; N228-K231 PolarHBondContact OD1-N 3.01Å; K231-R233 VanDerWaalsContact C-N 3.31Å; K231-R233 PolarHBondContact O-N 3.44Å; K231-T234 WeakPolarHBondContact O-CA 3.34Å; K231-T234 VanDerWaalsContact O-CB 3.28Å; K231-T234 WeakPolarHBondContact O-CB 3.45Å; K231-T234 PolarHBondContact O-N 3.35Å; K231-L235 WeakPolarHBondContact O-CG 3.03Å; K231-L235 PolarHBondContact O-N 2.94Å
232W95.9Very high94.4Very high1 Ų178.7 Ų78.70%0.00436%0.361CS..Hα-helixtrans-58.3-42.6177-177.5-107.8000112.5Y45 A78 G79 G82 P181 L182 A185 I227 N228 T234 L235 T236Y45-W232 HydrophobicContact CD2-CZ2 4.46Å; A78-W232 HydrophobicContact CB-CD2 4.31Å; A78-W232 HydrophobicContact CB-CE3 4.31Å; A78-W232 HydrophobicContact CB-CH2 3.26Å; A78-W232 HydrophobicContact CB-CZ2 3.25Å; A78-W232 HydrophobicContact CB-CZ3 3.82Å; G79-W232 PolarHBondContact O-NE1 2.91Å; G82-W232 VanDerWaalsContact N-CD1 3.28Å; P181-W232 HydrophobicContact CB-CH2 3.56Å; P181-W232 HydrophobicContact CB-CZ2 4.04Å; P181-W232 HydrophobicContact CB-CZ3 3.95Å; P181-W232 HydrophobicContact CG-CH2 3.46Å; P181-W232 VanDerWaalsContact CG-CH2 3.46Å; P181-W232 HydrophobicContact CG-CZ2 3.7Å; P181-W232 HydrophobicContact CG-CZ3 4.34Å; L182-W232 HydrophobicContact CD2-CH2 3.97Å; L182-W232 HydrophobicContact CD2-CZ3 4.21Å; L182-W232 HydrophobicContact CG-CH2 4.39Å; A185-W232 HydrophobicContact CB-CZ3 4.1Å; I227-W232 HydrophobicContact CG2-CB 4.39Å; I227-W232 HydrophobicContact CG2-CE3 4.06Å; N228-W232 WeakPolarHBondContact O-CB 3.36Å; N228-W232 PolarHBondContact O-N 2.94Å; W232-T234 PolarHBondContact O-N 3.32Å; W232-L235 HydrophobicContact CE3-CD1 4.16Å; W232-L235 HydrophobicContact CZ3-CD1 4.43Å; W232-L235 PolarHBondContact O-N 3.35Å; W232-L235 VanDerWaalsContact O-N 3.12Å; W232-T236 HydrophobicContact CD2-CG2 4.18Å; W232-T236 HydrophobicContact CG-CG2 4.48Å; W232-T236 HydrophobicContact CZ2-CG2 3.8Å; W232-T236 WeakPolarHBondContact O-CG2 3.33Å; W232-T236 PolarHBondContact O-N 3.2Å; W232-T236 PolarHBondContact O-OG1 3.44Å
233R95.7Very high94.1Very high172 Ų17274.4 Ų74.465%0.64934%0.343SS*.Hα-helixtrans-58.8-35.3173.3-168.2-176.5-59149.62.2112.6P229 S230 K231 T236 S237P229-R233 WeakPolarHBondContact O-CB 3.41Å; P229-R233 PolarHBondContact O-N 3.14Å; S230-R233 PolarHBondContact O-N 2.9Å; K231-R233 VanDerWaalsContact C-N 3.31Å; K231-R233 PolarHBondContact O-N 3.44Å; R233-T236 WeakPolarHBondContact CA-OG1 3.4Å; R233-T236 PolarHBondContact O-OG1 2.79Å; R233-T236 VanDerWaalsContact O-OG1 3.14Å; R233-S237 VanDerWaalsContact O-CB 3.29Å; R233-S237 WeakPolarHBondContact O-CB 3.31Å; R233-S237 PolarHBondContact O-N 3.15Å; R233-S237 PolarHBondContact O-OG 3.38Å
234T95.1Very high93.8Very high74 Ų7478.2 Ų78.245%0.45436%0.363SS..Hα-helixtrans-70-38176-57.10000112S230 K231 W232 S237 K238S230-T234 PolarHBondContact O-N 3.38Å; S230-T234 PolarHBondContact O-OG1 2.87Å; S230-T234 VanDerWaalsContact O-OG1 3.1Å; K231-T234 WeakPolarHBondContact O-CA 3.34Å; K231-T234 VanDerWaalsContact O-CB 3.28Å; K231-T234 WeakPolarHBondContact O-CB 3.45Å; K231-T234 PolarHBondContact O-N 3.35Å; W232-T234 PolarHBondContact O-N 3.32Å; T234-S237 PolarHBondContact O-OG 2.93Å; T234-K238 WeakPolarHBondContact O-CG 3.48Å; T234-K238 PolarHBondContact O-N 3.44Å
235L94.5Very high93.3Very high19 Ų1982.2 Ų82.210%0.09938%0.378CS..Hα-helixtrans-67.6-46.2176.2-61.1-176.3000111.1P181 A185 K231 W232 K238 V239P181-L235 HydrophobicContact CB-CB 4.23Å; A185-L235 HydrophobicContact CB-CD1 4.03Å; K231-L235 WeakPolarHBondContact O-CG 3.03Å; K231-L235 PolarHBondContact O-N 2.94Å; W232-L235 HydrophobicContact CE3-CD1 4.16Å; W232-L235 HydrophobicContact CZ3-CD1 4.43Å; W232-L235 PolarHBondContact O-N 3.35Å; W232-L235 VanDerWaalsContact O-N 3.12Å; L235-K238 PolarHBondContact O-N 3.17Å; L235-V239 PolarHBondContact O-N 2.96Å
236T94.7Very high92.8Very high35 Ų3578.8 Ų78.822%0.21536%0.361CS..Hα-helixtrans-69.2-33.2-179.851.70000112.9P181 W232 R233 K238 V239 R240P181-T236 HydrophobicContact CB-CG2 4.03Å; P181-T236 HydrophobicContact CG-CG2 4.09Å; W232-T236 HydrophobicContact CD2-CG2 4.18Å; W232-T236 HydrophobicContact CG-CG2 4.48Å; W232-T236 HydrophobicContact CZ2-CG2 3.8Å; W232-T236 WeakPolarHBondContact O-CG2 3.33Å; W232-T236 PolarHBondContact O-N 3.2Å; W232-T236 PolarHBondContact O-OG1 3.44Å; R233-T236 WeakPolarHBondContact CA-OG1 3.4Å; R233-T236 PolarHBondContact O-OG1 2.79Å; R233-T236 VanDerWaalsContact O-OG1 3.14Å; T236-K238 VanDerWaalsContact C-N 3.34Å; T236-K238 PolarHBondContact O-N 3.12Å; T236-V239 PolarHBondContact O-N 2.9Å; T236-R240 WeakPolarHBondContact O-CB 3.47Å; T236-R240 PolarHBondContact O-N 3.49Å
237S93.6Very high92.4Very high65 Ų6573.9 Ų73.946%0.45534%0.344SS..Hα-helixtrans-65.7-36.7175.169.20000112.6R233 T234 R240 R241R233-S237 VanDerWaalsContact O-CB 3.29Å; R233-S237 WeakPolarHBondContact O-CB 3.31Å; R233-S237 PolarHBondContact O-N 3.15Å; R233-S237 PolarHBondContact O-OG 3.38Å; T234-S237 PolarHBondContact O-OG 2.93Å; S237-R240 PolarHBondContact O-N 3.37Å; S237-R241 PolarHBondContact O-N 3.22Å
238K91.9Very high91.8Very high124 Ų12476.7 Ų76.754%0.53938%0.376SS..Hα-helixtrans-62.6-45.7172.4-71.6175.4-179.6-178.70111.4T234 L235 T236 R241 W242T234-K238 WeakPolarHBondContact O-CG 3.48Å; T234-K238 PolarHBondContact O-N 3.44Å; L235-K238 PolarHBondContact O-N 3.17Å; T236-K238 VanDerWaalsContact C-N 3.34Å; T236-K238 PolarHBondContact O-N 3.12Å; K238-R241 WeakPolarHBondContact O-CB 3.43Å; K238-R241 PolarHBondContact O-N 3.41Å; K238-W242 VanDerWaalsContact O-CD1 3.25Å; K238-W242 PolarHBondContact O-N 2.92Å
239V92.1Very high91Very high8 Ų879.9 Ų79.95%0.04839%0.386CS..Hα-helixtrans-59.1-49.9175169.60000110.4L179 P181 L235 T236 R241 W242 E243L179-V239 WeakPolarHBondContact O-CG1 3.33Å; P181-V239 HydrophobicContact CB-CG2 4.04Å; P181-V239 HydrophobicContact CG-CG2 4.49Å; L235-V239 PolarHBondContact O-N 2.96Å; T236-V239 PolarHBondContact O-N 2.9Å; V239-R241 PolarHBondContact O-N 3.5Å; V239-W242 CarbonylContact O-C 3.58Å; V239-W242 WeakPolarHBondContact O-CA 3.49Å; V239-W242 WeakPolarHBondContact O-CB 2.86Å; V239-W242 PolarHBondContact O-N 3.29Å; V239-E243 HydrophobicContact CG1-CG 4.16Å; V239-E243 WeakPolarHBondContact O-CG 3.18Å; V239-E243 PolarHBondContact O-N 2.84Å
240R92.4Very high90Very high156 Ų15677.8 Ų77.859%0.58937%0.369SS*.Hα-helixtrans-57.6-36.2178.9-167.7175.9-173.1-177.21.9112.9T236 S237 W242 E243 N244T236-R240 WeakPolarHBondContact O-CB 3.47Å; T236-R240 PolarHBondContact O-N 3.49Å; S237-R240 PolarHBondContact O-N 3.37Å; R240-W242 VanDerWaalsContact C-N 3.35Å; R240-E243 PolarHBondContact O-N 2.99Å; R240-N244 WeakPolarHBondContact O-CB 3.45Å; R240-N244 PolarHBondContact O-N 3.14Å
241R91.4Very high88.3Confident204 Ų20480.4 Ų80.477%0.7739%0.388SS*.Hα-helixtrans-62.3-42.2173.7-173.5178.3179.91730.5111.6S237 K238 V239 Y245S237-R241 PolarHBondContact O-N 3.22Å; K238-R241 WeakPolarHBondContact O-CB 3.43Å; K238-R241 PolarHBondContact O-N 3.41Å; V239-R241 PolarHBondContact O-N 3.5Å; R241-Y245 WeakPolarHBondContact O-CB 3.28Å; R241-Y245 PolarHBondContact O-N 3.37Å
242W89.8Confident88Confident125 Ų12579.6 Ų79.647%0.47339%0.386SS..Hα-helixtrans-66.9-45.9174.5-74.8114.4000112.1Y178 L179 K238 V239 R240 N244 Y245 Y246Y178-W242 HydrophobicContact CD2-CB 4.15Å; Y178-W242 HydrophobicContact CD2-CD2 4.34Å; Y178-W242 HydrophobicContact CD2-CG 4.03Å; Y178-W242 HydrophobicContact CE2-CB 4.24Å; Y178-W242 HydrophobicContact CE2-CG 4.42Å; L179-W242 HydrophobicContact CD2-CB 3.72Å; K238-W242 VanDerWaalsContact O-CD1 3.25Å; K238-W242 PolarHBondContact O-N 2.92Å; V239-W242 CarbonylContact O-C 3.58Å; V239-W242 WeakPolarHBondContact O-CA 3.49Å; V239-W242 WeakPolarHBondContact O-CB 2.86Å; V239-W242 PolarHBondContact O-N 3.29Å; R240-W242 VanDerWaalsContact C-N 3.35Å; W242-N244 VanDerWaalsContact C-N 3.29Å; W242-N244 PolarHBondContact O-N 3.25Å; W242-Y245 HydrophobicContact CE3-CD1 4.09Å; W242-Y245 HydrophobicContact CZ3-CD1 4.15Å; W242-Y245 HydrophobicContact CZ3-CE1 4.35Å; W242-Y245 WeakPolarHBondContact O-CB 3.41Å; W242-Y245 PolarHBondContact O-N 3.28Å; W242-Y245 VanDerWaalsContact O-N 3.14Å; W242-Y246 HydrophobicContact CE3-CE2 4.2Å; W242-Y246 WeakPolarHBondContact O-CD2 3.28Å; W242-Y246 PolarHBondContact O-N 2.76Å
243E91.1Very high87.6Confident8 Ų883.7 Ų83.74%0.03741%0.406CS..Hα-helixtrans-52.5-49.5174.8-62.4179.1168.200111L30 R34 L179 V239 R240 Y245 Y246 L247L30-E243 HydrophobicContact CD2-CB 3.88Å; L30-E243 HydrophobicContact CD2-CG 3.65Å; R34-E243 IonicContact CZ-OE2 2.77Å; R34-E243 IonicContact NH1-OE2 2.72Å; R34-E243 IonicContact NH2-OE2 3.6Å; R34-E243 PolarHBondContact NH2-OE2 2.85Å; L179-E243 HydrophobicContact CD2-CG 4.08Å; V239-E243 HydrophobicContact CG1-CG 4.16Å; V239-E243 WeakPolarHBondContact O-CG 3.18Å; V239-E243 PolarHBondContact O-N 2.84Å; R240-E243 PolarHBondContact O-N 2.99Å; E243-Y245 PolarHBondContact O-N 3.24Å; E243-Y246 PolarHBondContact O-N 2.93Å; E243-L247 WeakPolarHBondContact O-CB 3.11Å; E243-L247 WeakPolarHBondContact O-CG 2.99Å; E243-L247 PolarHBondContact O-N 3.26Å
244N90.1Very high87.1Confident81 Ų8178.8 Ų78.843%0.43339%0.393SS..Hα-helixtrans-67-35.9-179.9-69.5-8.7000112.6R34 R240 W242 G248R34-N244 PolarHBondContact NH2-OD1 3.3Å; R240-N244 WeakPolarHBondContact O-CB 3.45Å; R240-N244 PolarHBondContact O-N 3.14Å; W242-N244 VanDerWaalsContact C-N 3.29Å; W242-N244 PolarHBondContact O-N 3.25Å; N244-G248 PolarHBondContact O-N 3.41Å
245Y86.6Confident86.7Confident95 Ų9579.1 Ų79.137%0.37339%0.389SS..Hα-helixtrans-62-46174.6170.6-99.2000111.4R241 W242 E243 K249 F250R241-Y245 WeakPolarHBondContact O-CB 3.28Å; R241-Y245 PolarHBondContact O-N 3.37Å; W242-Y245 HydrophobicContact CE3-CD1 4.09Å; W242-Y245 HydrophobicContact CZ3-CD1 4.15Å; W242-Y245 HydrophobicContact CZ3-CE1 4.35Å; W242-Y245 WeakPolarHBondContact O-CB 3.41Å; W242-Y245 PolarHBondContact O-N 3.28Å; W242-Y245 VanDerWaalsContact O-N 3.14Å; E243-Y245 PolarHBondContact O-N 3.24Å; Y245-K249 HydrophobicContact CE2-CD 3.63Å; Y245-K249 WeakPolarHBondContact O-CB 3.49Å; Y245-K249 PolarHBondContact O-N 3Å; Y245-K249 WeakPolarHBondContact OH-CD 3.41Å; Y245-K249 PolarHBondContact OH-NZ 3.08Å; Y245-F250 HydrophobicContact CD1-CE2 4.15Å; Y245-F250 AromaticContact CE1-CE2 3.63Å; Y245-F250 HydrophobicContact CE1-CE2 3.63Å; Y245-F250 HydrophobicContact CE1-CZ 4.1Å; Y245-F250 AromaticContact CZ-CE2 3.98Å
246Y84.2Confident86.2Confident41 Ų4182.9 Ų82.916%0.16141%0.407CS..Hα-helixtrans-66-47.6177.5-85.6-83.4000111.6L27 L30 Y178 W242 E243 G248 F250L27-Y246 WeakPolarHBondContact CD2-O 3.33Å; L30-Y246 HydrophobicContact CD1-CG 4.14Å; Y178-Y246 HydrophobicContact CE2-CD2 4.31Å; Y178-Y246 AromaticContact CE2-CE2 3.63Å; Y178-Y246 HydrophobicContact CE2-CE2 3.63Å; Y178-Y246 AromaticContact CZ-CE2 3.64Å; Y178-Y246 AromaticContact CZ-CZ 3.92Å; Y178-Y246 WeakPolarHBondContact OH-CE2 3.11Å; Y178-Y246 PolarHBondContact OH-OH 3.34Å; W242-Y246 HydrophobicContact CE3-CE2 4.2Å; W242-Y246 WeakPolarHBondContact O-CD2 3.28Å; W242-Y246 PolarHBondContact O-N 2.76Å; E243-Y246 PolarHBondContact O-N 2.93Å; Y246-G248 VanDerWaalsContact C-N 3.35Å; Y246-G248 PolarHBondContact O-N 3.31Å; Y246-F250 HydrophobicContact CD1-CD1 4.42Å; Y246-F250 HydrophobicContact CD1-CD2 4.23Å; Y246-F250 HydrophobicContact CD1-CE2 4.25Å; Y246-F250 HydrophobicContact CD1-CG 4.46Å; Y246-F250 HydrophobicContact CE1-CZ 4.49Å; Y246-F250 WeakPolarHBondContact O-CB 3.22Å; Y246-F250 VanDerWaalsContact O-CD2 3.28Å; Y246-F250 WeakPolarHBondContact O-CD2 3.39Å; Y246-F250 PolarHBondContact O-N 2.99Å; Y246-F250 VanDerWaalsContact O-N 3.12Å
247L86.4Confident85.6Confident33 Ų3386.1 Ų86.117%0.17342%0.42CS..Hα-helixtrans-63.8-38.5178.1-69.3168.2000112.1L30 K31 R34 E243 S251L30-L247 HydrophobicContact CB-CD2 3.92Å; L30-L247 HydrophobicContact CB-CG 4.2Å; L30-L247 HydrophobicContact CD1-CG 4.39Å; K31-L247 HydrophobicContact CG-CD2 4.2Å; R34-L247 HydrophobicContact CG-CD1 3.74Å; E243-L247 WeakPolarHBondContact O-CB 3.11Å; E243-L247 WeakPolarHBondContact O-CG 2.99Å; E243-L247 PolarHBondContact O-N 3.26Å; L247-S251 WeakPolarHBondContact O-CB 3.25Å; L247-S251 PolarHBondContact O-N 3.06Å
248G83.3Confident85Confident68 Ų6887.6 Ų87.670%0.70142%0.418SS*.Hα-helixtrans-77-40.8-177.300000114.4N244 Y246N244-G248 PolarHBondContact O-N 3.41Å; Y246-G248 VanDerWaalsContact C-N 3.35Å; Y246-G248 PolarHBondContact O-N 3.31Å
249K79.6Confident84.5Confident128 Ų12884.8 Ų84.856%0.55741%0.408SS*.Hα-helixtrans-88.4-13.7-175.7172.7174.1174.9175.10113.4Y245Y245-K249 HydrophobicContact CE2-CD 3.63Å; Y245-K249 WeakPolarHBondContact O-CB 3.49Å; Y245-K249 PolarHBondContact O-N 3Å; Y245-K249 WeakPolarHBondContact OH-CD 3.41Å; Y245-K249 PolarHBondContact OH-NZ 3.08Å
250F72.2Confident83.9Confident35 Ų3591.2 Ų91.215%0.15444%0.438CS..Hα-helixtrans-134.8-0.2-168.1-47.9-127000114.5R23 L27 Y245 Y246R23-F250 HydrophobicContact CG-CD1 3.54Å; R23-F250 HydrophobicContact CG-CE1 3.96Å; R23-F250 VanDerWaalsContact NH2-CB 3.35Å; R23-F250 VanDerWaalsContact NH2-CG 3.31Å; L27-F250 HydrophobicContact CD1-CB 3.53Å; L27-F250 HydrophobicContact CD1-CD1 4.47Å; L27-F250 HydrophobicContact CD1-CG 4.44Å; L27-F250 HydrophobicContact CD2-CB 3.6Å; L27-F250 HydrophobicContact CG-CB 4.1Å; Y245-F250 HydrophobicContact CD1-CE2 4.15Å; Y245-F250 AromaticContact CE1-CE2 3.63Å; Y245-F250 HydrophobicContact CE1-CE2 3.63Å; Y245-F250 HydrophobicContact CE1-CZ 4.1Å; Y245-F250 AromaticContact CZ-CE2 3.98Å; Y246-F250 HydrophobicContact CD1-CD1 4.42Å; Y246-F250 HydrophobicContact CD1-CD2 4.23Å; Y246-F250 HydrophobicContact CD1-CE2 4.25Å; Y246-F250 HydrophobicContact CD1-CG 4.46Å; Y246-F250 HydrophobicContact CE1-CZ 4.49Å; Y246-F250 WeakPolarHBondContact O-CB 3.22Å; Y246-F250 VanDerWaalsContact O-CD2 3.28Å; Y246-F250 WeakPolarHBondContact O-CD2 3.39Å; Y246-F250 PolarHBondContact O-N 2.99Å; Y246-F250 VanDerWaalsContact O-N 3.12Å
251S59.3Low83.1Confident120 Ų12085.3 Ų85.384%0.83943%0.425SS*.  trans-78.60171.7-173.40000112.6L247L247-S251 WeakPolarHBondContact O-CB 3.25Å; L247-S251 PolarHBondContact O-N 3.06Å

Retrieved 251 of 251 residues in 51.8 ms (Link to these results)

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