A0A087Y1U3_POEFO Loading...

Polypeptide N-acetylgalactosaminyltransferase

Catalyzes the initial reaction in O-linked oligosaccharide biosynthesis, the transfer of an N-acetyl-D-galactosamine residue to a serine or threonine residue on the protein receptor. Does not glycosylate apomucin or SDC3.

AlphaFold DB , UniProt , Accession A0A087Y1U3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 605 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
1M57.9Low60.7Low225 Ų225131.7 Ų131.7100%1.10869%0.686SS**  0-2.60-83-174-90.900115.7
2A55Low61.7Low79 Ų79127.3 Ų127.365%0.65367%0.669SS**  trans-90.2-17.8177.500000115.4
3V55.7Low62.6Low108 Ų108123.7 Ų123.766%0.65566%0.655SS**Hα-helixtrans-84.3-36-176.9-178.10000112.3R5 K6 I7V3-R5 VanDerWaalsContact C-N 3.34Å; V3-R5 PolarHBondContact O-N 3.39Å; V3-K6 PolarHBondContact O-N 2.63Å; V3-I7 HydrophobicContact CG1-CD1 4.17Å; V3-I7 PolarHBondContact O-N 3.48Å
4A54.1Low62.8Low73 Ų73122.1 Ų122.160%0.60365%0.647SS**Hα-helixtrans-69.6-27.7179.500000113.7K8A4-K8 PolarHBondContact O-N 3.4Å
5R56.3Low63.8Low205 Ų205120.6 Ų120.677%0.77464%0.638SS**Hα-helixtrans-72.1-39.1174.9-85.9-177.3176.8173.1-0.6112V3 K8 T9V3-R5 VanDerWaalsContact C-N 3.34Å; V3-R5 PolarHBondContact O-N 3.39Å; R5-K8 PolarHBondContact O-N 2.87Å; R5-T9 PolarHBondContact O-N 3.24Å; R5-T9 PolarHBondContact O-OG1 3.47Å
6K54.8Low64.4Low169 Ų169120.6 Ų120.674%0.73564%0.637SS**Hα-helixtrans-67.6-35.5178.2-76.9-171174-174.10113V3 T9 L10V3-K6 PolarHBondContact O-N 2.63Å; K6-T9 PolarHBondContact O-N 3.34Å; K6-L10 PolarHBondContact O-N 3.1Å; K6-L10 VanDerWaalsContact O-N 3.1Å
7I65.2Low64.7Low105 Ų105118.2 Ų118.254%0.53863%0.628SS.*Hα-helixtrans-69.4-40.4178-64.5170.3000111.1V3 T9 L10 L11V3-I7 HydrophobicContact CG1-CD1 4.17Å; V3-I7 PolarHBondContact O-N 3.48Å; I7-T9 PolarHBondContact O-N 3.4Å; I7-L10 PolarHBondContact O-N 3.48Å; I7-L11 WeakPolarHBondContact O-CB 3.44Å; I7-L11 PolarHBondContact O-N 2.98Å
8K65.3Low64.9Low164 Ų164119.4 Ų119.471%0.71363%0.627SS**Hα-helixtrans-62.1-42.2175.2-107.2-177.6175.9-177.40112.1A4 R5 L11 T12A4-K8 PolarHBondContact O-N 3.4Å; R5-K8 PolarHBondContact O-N 2.87Å; K8-L11 PolarHBondContact O-N 3.06Å; K8-T12 WeakPolarHBondContact O-CB 3.32Å; K8-T12 PolarHBondContact O-N 3.37Å; K8-T12 PolarHBondContact O-OG1 3.32Å
9T67.8Low65.6Low91 Ų91117.1 Ų117.156%0.55862%0.618SS**Hα-helixtrans-66.9-41.1179-32.80000111.6R5 K6 I7 T12 V13R5-T9 PolarHBondContact O-N 3.24Å; R5-T9 PolarHBondContact O-OG1 3.47Å; K6-T9 PolarHBondContact O-N 3.34Å; I7-T9 PolarHBondContact O-N 3.4Å; T9-T12 PolarHBondContact O-N 3.06Å; T9-V13 WeakPolarHBondContact O-CG2 3.46Å; T9-V13 PolarHBondContact O-N 3.35Å
10L65.4Low66.1Low122 Ų122113.1 Ų113.164%0.63961%0.607SS**Hα-helixtrans-66.8-38.4178.6-149.585.5000112.4K6 I7 N14K6-L10 PolarHBondContact O-N 3.1Å; K6-L10 VanDerWaalsContact O-N 3.1Å; I7-L10 PolarHBondContact O-N 3.48Å; L10-N14 WeakPolarHBondContact O-CB 3.49Å; L10-N14 PolarHBondContact O-N 3.48Å; L10-N14 VanDerWaalsContact O-N 3.07Å; L10-N14 PolarHBondContact O-ND2 3.46Å
11L70.1Confident66.2Low108 Ų108112.6 Ų112.657%0.56560%0.603SS**Hα-helixtrans-66.9-39.6176.3-138.396.1000111.5I7 K8 N14 I15I7-L11 WeakPolarHBondContact O-CB 3.44Å; I7-L11 PolarHBondContact O-N 2.98Å; K8-L11 PolarHBondContact O-N 3.06Å; L11-N14 PolarHBondContact O-N 3.49Å; L11-I15 HydrophobicContact CD2-CD1 4.31Å; L11-I15 VanDerWaalsContact O-CG1 3.27Å; L11-I15 WeakPolarHBondContact O-CG1 3.27Å; L11-I15 PolarHBondContact O-N 3.11Å
12T73.6Confident66.8Low79 Ų79106.2 Ų106.249%0.48557%0.572SS.*Hα-helixtrans-68.3-39.3-179.4-44.10000111.4K8 T9 I15 L16K8-T12 WeakPolarHBondContact O-CB 3.32Å; K8-T12 PolarHBondContact O-N 3.37Å; K8-T12 PolarHBondContact O-OG1 3.32Å; T9-T12 PolarHBondContact O-N 3.06Å; T12-I15 PolarHBondContact O-N 3.02Å; T12-L16 WeakPolarHBondContact O-CG 3.31Å; T12-L16 PolarHBondContact O-N 3.44Å; T12-L16 VanDerWaalsContact O-N 3.11Å
13V73Confident67.4Low80 Ų80107.7 Ų107.749%0.48557%0.569SS.*Hα-helixtrans-67.3-42.4175.7173.30000111.3T9 I15 L16 V17T9-V13 WeakPolarHBondContact O-CG2 3.46Å; T9-V13 PolarHBondContact O-N 3.35Å; V13-I15 PolarHBondContact O-N 3.04Å; V13-L16 PolarHBondContact O-N 3.47Å; V13-V17 WeakPolarHBondContact O-CG2 3.48Å; V13-V17 PolarHBondContact O-N 3.37Å
14N65.8Low67.7Low102 Ų102109.2 Ų109.255%0.54557%0.567SS.*Hα-helixtrans-64.5-37.7176.9-84.6-35.5000112.7L10 L11 F18L10-N14 WeakPolarHBondContact O-CB 3.49Å; L10-N14 PolarHBondContact O-N 3.48Å; L10-N14 VanDerWaalsContact O-N 3.07Å; L10-N14 PolarHBondContact O-ND2 3.46Å; L11-N14 PolarHBondContact O-N 3.49Å; N14-F18 WeakPolarHBondContact O-CB 3.33Å; N14-F18 PolarHBondContact O-N 3.07Å
15I76.7Confident67.8Low99 Ų99108.6 Ų108.651%0.50856%0.558SS.*Hα-helixtrans-65.7-43.2175.8-69.5167.3000111L11 T12 V13 V17 F18 V19L11-I15 HydrophobicContact CD2-CD1 4.31Å; L11-I15 VanDerWaalsContact O-CG1 3.27Å; L11-I15 WeakPolarHBondContact O-CG1 3.27Å; L11-I15 PolarHBondContact O-N 3.11Å; T12-I15 PolarHBondContact O-N 3.02Å; V13-I15 PolarHBondContact O-N 3.04Å; I15-V17 PolarHBondContact O-N 3.03Å; I15-F18 PolarHBondContact O-N 3.35Å; I15-V19 HydrophobicContact CG2-CG2 4.37Å; I15-V19 VanDerWaalsContact O-CG2 3.31Å; I15-V19 WeakPolarHBondContact O-CG2 3.41Å; I15-V19 PolarHBondContact O-N 3.27Å
16L73.4Confident68.3Low121 Ų121102.2 Ų102.263%0.63454%0.542SS*.Hα-helixtrans-64-39.4178.5-76.6166.3000112.6T12 V13 G20T12-L16 WeakPolarHBondContact O-CG 3.31Å; T12-L16 PolarHBondContact O-N 3.44Å; T12-L16 VanDerWaalsContact O-N 3.11Å; V13-L16 PolarHBondContact O-N 3.47Å; L16-G20 PolarHBondContact O-N 2.98Å
17V70.1Confident68.7Low80 Ų80101 Ų10149%0.48553%0.534SS..Hα-helixtrans-66.2-41.4175.31740000110.9V13 I15 G20 I21V13-V17 WeakPolarHBondContact O-CG2 3.48Å; V13-V17 PolarHBondContact O-N 3.37Å; I15-V17 PolarHBondContact O-N 3.03Å; V17-G20 PolarHBondContact O-N 2.94Å; V17-I21 HydrophobicContact CG1-CD1 3.93Å; V17-I21 WeakPolarHBondContact O-CG1 3.42Å; V17-I21 PolarHBondContact O-N 3.03Å
18F68.9Low68.1Low139 Ų13998.8 Ų98.861%0.6153%0.527SS*.Hα-helixtrans-67.5-40.4179.7-147.1-93.7000112.4N14 I15 G20 I21 I22N14-F18 WeakPolarHBondContact O-CB 3.33Å; N14-F18 PolarHBondContact O-N 3.07Å; I15-F18 PolarHBondContact O-N 3.35Å; F18-G20 VanDerWaalsContact C-N 3.34Å; F18-I21 PolarHBondContact O-N 3.28Å; F18-I22 HydrophobicContact CD1-CD1 3.89Å; F18-I22 HydrophobicContact CD1-CG1 4.37Å; F18-I22 HydrophobicContact CE1-CD1 3.93Å; F18-I22 HydrophobicContact CE1-CG1 4.48Å; F18-I22 WeakPolarHBondContact O-CG1 3.45Å; F18-I22 PolarHBondContact O-N 2.95Å
19V77.9Confident67.4Low75 Ų75100 Ų10046%0.45553%0.527SS..Hα-helixtrans-64.5-39.5173.21740000110.9I15 I22 L23I15-V19 HydrophobicContact CG2-CG2 4.37Å; I15-V19 VanDerWaalsContact O-CG2 3.31Å; I15-V19 WeakPolarHBondContact O-CG2 3.41Å; I15-V19 PolarHBondContact O-N 3.27Å; V19-I22 PolarHBondContact O-N 2.92Å; V19-L23 HydrophobicContact CG1-CD1 3.81Å; V19-L23 HydrophobicContact CG1-CG 4.31Å; V19-L23 WeakPolarHBondContact O-CB 3.33Å; V19-L23 VanDerWaalsContact O-CG 3.31Å; V19-L23 WeakPolarHBondContact O-CG 3.31Å; V19-L23 PolarHBondContact O-N 2.87Å
20G74.5Confident66.6Low38 Ų38101.1 Ų101.139%0.39253%0.528SS..Hα-helixtrans-60.9-42.517400000113.3L16 V17 F18 L23 F24L16-G20 PolarHBondContact O-N 2.98Å; V17-G20 PolarHBondContact O-N 2.94Å; F18-G20 VanDerWaalsContact C-N 3.34Å; G20-L23 PolarHBondContact O-N 3.47Å; G20-F24 VanDerWaalsContact O-CB 3.27Å; G20-F24 WeakPolarHBondContact O-CB 3.3Å; G20-F24 PolarHBondContact O-N 3.48Å
21I69Low65.8Low102 Ų102100 Ų10052%0.52352%0.52SS..Hα-helixtrans-67.3-40.5177.5-67.5166.9000111.3V17 F18 F24 S25V17-I21 HydrophobicContact CG1-CD1 3.93Å; V17-I21 WeakPolarHBondContact O-CG1 3.42Å; V17-I21 PolarHBondContact O-N 3.03Å; F18-I21 PolarHBondContact O-N 3.28Å; I21-F24 PolarHBondContact O-N 3.38Å; I21-S25 VanDerWaalsContact O-CB 3.29Å; I21-S25 WeakPolarHBondContact O-CB 3.48Å; I21-S25 PolarHBondContact O-N 3.28Å
22I69.5Low64.6Low91 Ų91100.2 Ų100.247%0.46752%0.521SS..Hα-helixtrans-66.4-44.6176.5-69.4-178.7000110.9F18 V19 F24 S25 V26F18-I22 HydrophobicContact CD1-CD1 3.89Å; F18-I22 HydrophobicContact CD1-CG1 4.37Å; F18-I22 HydrophobicContact CE1-CD1 3.93Å; F18-I22 HydrophobicContact CE1-CG1 4.48Å; F18-I22 WeakPolarHBondContact O-CG1 3.45Å; F18-I22 PolarHBondContact O-N 2.95Å; V19-I22 PolarHBondContact O-N 2.92Å; I22-F24 VanDerWaalsContact C-N 3.34Å; I22-F24 PolarHBondContact O-N 3.36Å; I22-S25 PolarHBondContact O-N 3.38Å; I22-V26 HydrophobicContact CG2-CG2 4.39Å; I22-V26 WeakPolarHBondContact O-CB 3.24Å; I22-V26 VanDerWaalsContact O-CG2 3.3Å; I22-V26 WeakPolarHBondContact O-CG2 3.49Å; I22-V26 PolarHBondContact O-N 3.47Å
23L67.9Low63.1Low110 Ų110105.9 Ų105.958%0.57653%0.534SS*.Hα-helixtrans-63.6-39.4177.1-72.8171000111.8V19 G20 V26 Y27V19-L23 HydrophobicContact CG1-CD1 3.81Å; V19-L23 HydrophobicContact CG1-CG 4.31Å; V19-L23 WeakPolarHBondContact O-CB 3.33Å; V19-L23 VanDerWaalsContact O-CG 3.31Å; V19-L23 WeakPolarHBondContact O-CG 3.31Å; V19-L23 PolarHBondContact O-N 2.87Å; G20-L23 PolarHBondContact O-N 3.47Å; L23-V26 PolarHBondContact O-N 2.91Å; L23-Y27 VanDerWaalsContact O-CB 3.24Å; L23-Y27 WeakPolarHBondContact O-CB 3.29Å; L23-Y27 PolarHBondContact O-N 3.43Å
24F63.2Low61.7Low140 Ų140105.3 Ų105.361%0.61453%0.534SS*.Hα-helixtrans-66.1-40.7174.5-172.4-103000112G20 I21 I22 Y27 C28G20-F24 VanDerWaalsContact O-CB 3.27Å; G20-F24 WeakPolarHBondContact O-CB 3.3Å; G20-F24 PolarHBondContact O-N 3.48Å; I21-F24 PolarHBondContact O-N 3.38Å; I22-F24 VanDerWaalsContact C-N 3.34Å; I22-F24 PolarHBondContact O-N 3.36Å; F24-Y27 PolarHBondContact O-N 3.02Å; F24-C28 WeakPolarHBondContact O-CB 3.27Å; F24-C28 PolarHBondContact O-N 2.86Å; F24-C28 PolarHBondContact O-SG 3.27Å; F24-C28 VanDerWaalsContact O-SG 3.38Å
25S56.6Low60.6Low61 Ų61107.2 Ų107.243%0.42754%0.539SS..Hα-helixtrans-66-38.6175.9-1760000112.7I21 I22 R29I21-S25 VanDerWaalsContact O-CB 3.29Å; I21-S25 WeakPolarHBondContact O-CB 3.48Å; I21-S25 PolarHBondContact O-N 3.28Å; I22-S25 PolarHBondContact O-N 3.38Å; S25-R29 WeakPolarHBondContact O-CB 3.46Å; S25-R29 PolarHBondContact O-N 2.87Å
26V65.1Low59.1Low71 Ų71108.6 Ų108.643%0.4354%0.544SS..Hα-helixtrans-69.4-40.6174.3171.90000111I22 L23 R29 I30I22-V26 HydrophobicContact CG2-CG2 4.39Å; I22-V26 WeakPolarHBondContact O-CB 3.24Å; I22-V26 VanDerWaalsContact O-CG2 3.3Å; I22-V26 WeakPolarHBondContact O-CG2 3.49Å; I22-V26 PolarHBondContact O-N 3.47Å; L23-V26 PolarHBondContact O-N 2.91Å; V26-R29 PolarHBondContact O-N 3.46Å; V26-I30 HydrophobicContact CG1-CD1 3.71Å; V26-I30 HydrophobicContact CG1-CG1 4.43Å; V26-I30 VanDerWaalsContact O-CG1 3.27Å; V26-I30 WeakPolarHBondContact O-CG1 3.27Å; V26-I30 PolarHBondContact O-N 2.97Å
27Y64.6Low57.6Low143 Ų143109.9 Ų109.956%0.56155%0.551SS**Hα-helixtrans-61.3-47.2174.5-178.5-97.9000111.7L23 F24 R29 I30 Q31L23-Y27 VanDerWaalsContact O-CB 3.24Å; L23-Y27 WeakPolarHBondContact O-CB 3.29Å; L23-Y27 PolarHBondContact O-N 3.43Å; F24-Y27 PolarHBondContact O-N 3.02Å; Y27-R29 PolarHBondContact O-N 3.24Å; Y27-I30 PolarHBondContact O-N 2.88Å; Y27-Q31 VanDerWaalsContact CZ-OE1 3.25Å; Y27-Q31 WeakPolarHBondContact O-CB 3.47Å; Y27-Q31 PolarHBondContact O-N 3.01Å; Y27-Q31 PolarHBondContact OH-OE1 3.42Å
28C51.3Low56.5Low58 Ų58112.8 Ų112.839%0.39256%0.562SS.*Hα-helixtrans-61.7-39.4174.4-71.90000112.5F24 I30 Q31 D32F24-C28 WeakPolarHBondContact O-CB 3.27Å; F24-C28 PolarHBondContact O-N 2.86Å; F24-C28 PolarHBondContact O-SG 3.27Å; F24-C28 VanDerWaalsContact O-SG 3.38Å; C28-I30 PolarHBondContact O-N 3.49Å; C28-Q31 PolarHBondContact O-N 3.47Å; C28-D32 PolarHBondContact O-N 3.12Å; C28-D32 VanDerWaalsContact O-N 3.12Å
29R50.4Low55.3Low190 Ų190111.4 Ų111.472%0.71756%0.557SS**Hα-helixtrans-68.8-29.1176.1-92-173.3-179.1174.12.6114.3S25 V26 Y27S25-R29 WeakPolarHBondContact O-CB 3.46Å; S25-R29 PolarHBondContact O-N 2.87Å; V26-R29 PolarHBondContact O-N 3.46Å; Y27-R29 PolarHBondContact O-N 3.24Å
30I52.7Low53.7Low115 Ų115114.3 Ų114.359%0.5957%0.569SS**Hα-helixtrans-79.1-33.4177.2-68.8168.6000110.3V26 Y27 C28 R33 S34V26-I30 HydrophobicContact CG1-CD1 3.71Å; V26-I30 HydrophobicContact CG1-CG1 4.43Å; V26-I30 VanDerWaalsContact O-CG1 3.27Å; V26-I30 WeakPolarHBondContact O-CG1 3.27Å; V26-I30 PolarHBondContact O-N 2.97Å; Y27-I30 PolarHBondContact O-N 2.88Å; C28-I30 PolarHBondContact O-N 3.49Å; I30-R33 PolarHBondContact O-N 3.3Å; I30-S34 PolarHBondContact O-N 3.42Å
31Q47.6Very low52.2Low97 Ų97115.5 Ų115.545%0.45358%0.582SS.*Hα-helixtrans-71.2-39.1177.9-155.8157.3-9.900112Y27 C28 R33 S34Y27-Q31 VanDerWaalsContact CZ-OE1 3.25Å; Y27-Q31 WeakPolarHBondContact O-CB 3.47Å; Y27-Q31 PolarHBondContact O-N 3.01Å; Y27-Q31 PolarHBondContact OH-OE1 3.42Å; C28-Q31 PolarHBondContact O-N 3.47Å; Q31-R33 VanDerWaalsContact C-N 3.31Å; Q31-R33 PolarHBondContact O-N 3.01Å; Q31-S34 PolarHBondContact O-N 3.26Å; Q31-S34 PolarHBondContact O-OG 3.39Å
32D44.4Very low50.9Low113 Ų113120.1 Ų120.160%0.60459%0.593SS**Hα-helixtrans-63.1-34.2174.6-130.50.8000112.5C28C28-D32 PolarHBondContact O-N 3.12Å; C28-D32 VanDerWaalsContact O-N 3.12Å
33R43.3Very low49.7Very low198 Ų198118 Ų11875%0.74758%0.582SS**Hα-helixtrans-77.9-15.7178.8-99-176.5167.3-170.1-3.6114.8I30 Q31I30-R33 PolarHBondContact O-N 3.3Å; Q31-R33 VanDerWaalsContact C-N 3.31Å; Q31-R33 PolarHBondContact O-N 3.01Å
34S43.8Very low48.5Very low69 Ų69116.4 Ų116.448%0.48358%0.58SS.*Hα-helixtrans-91.1-22.1177.569.50000114I30 Q31I30-S34 PolarHBondContact O-N 3.42Å; Q31-S34 PolarHBondContact O-N 3.26Å; Q31-S34 PolarHBondContact O-OG 3.39Å
35E43Very low47.5Very low141 Ų141115.1 Ų115.166%0.65958%0.58SS**Hα-helixtrans-87.4-25.3175.6-78.8-172.5151.700113.2L37E35-L37 PolarHBondContact O-N 3.48Å
36E43.8Very low46.9Very low128 Ų128118.7 Ų118.760%0.59859%0.59SS**Hα-helixtrans-70.1-27.3176.5-85.1-170.6141.200114.1L40E36-L40 WeakPolarHBondContact O-CD1 3.34Å
37L42.4Very low45.8Very low149 Ų149123.3 Ų123.378%0.7860%0.599SS**Hα-helixtrans-83.5-12.5-177.3-105.7124.7000114.9E35E35-L37 PolarHBondContact O-N 3.48Å
38I46.7Very low44.8Very low141 Ų141122.1 Ų122.172%0.72360%0.602SS**Hα-helixtrans-103.3-18.1177.5-62.4177.9000111.9
39Q44.4Very low44.4Very low110 Ų110128.8 Ų128.851%0.51462%0.619SS.*Hα-helixtrans-82-24174.1-94.7-91.2-23.800114.1G41 R42 L43Q39-G41 VanDerWaalsContact C-N 3.29Å; Q39-G41 PolarHBondContact O-N 3.29Å; Q39-R42 PolarHBondContact O-N 3.16Å; Q39-L43 HydrophobicContact CB-CD1 4.08Å; Q39-L43 WeakPolarHBondContact O-CB 3.46Å; Q39-L43 WeakPolarHBondContact O-CD1 3.39Å; Q39-L43 WeakPolarHBondContact O-CG 3.32Å; Q39-L43 PolarHBondContact O-N 3.36Å; Q39-L43 VanDerWaalsContact O-N 3.16Å
40L43.2Very low44.1Very low135 Ų135122.5 Ų122.571%0.70761%0.608SS**THydrogen-bonded Turntrans-70.7-17.1-176.9-108.6123.2000115E36E36-L40 WeakPolarHBondContact O-CD1 3.34Å
41G42.9Very low43.7Very low64 Ų64126.3 Ų126.366%0.6662%0.615SS**THydrogen-bonded Turntrans-93.6-12.9175.700000115.6Q39Q39-G41 VanDerWaalsContact C-N 3.29Å; Q39-G41 PolarHBondContact O-N 3.29Å
42R43.2Very low43.3Very low199 Ų199127 Ų12775%0.75162%0.622SS**THydrogen-bonded Turntrans-110.9-14177.7-84.8-179.8172.2165-1.8113.9Q39Q39-R42 PolarHBondContact O-N 3.16Å
43L42.5Very low43.2Very low45 Ų45123 Ų12324%0.23661%0.608CS.*Hα-helixtrans-80.6-18.1177.9-82.2169.1000115.1Q39 R47Q39-L43 HydrophobicContact CB-CD1 4.08Å; Q39-L43 WeakPolarHBondContact O-CB 3.46Å; Q39-L43 WeakPolarHBondContact O-CD1 3.39Å; Q39-L43 WeakPolarHBondContact O-CG 3.32Å; Q39-L43 PolarHBondContact O-N 3.36Å; Q39-L43 VanDerWaalsContact O-N 3.16Å; L43-R47 HydrophobicContact CD2-CG 4.25Å; L43-R47 WeakPolarHBondContact O-CB 3.27Å; L43-R47 VanDerWaalsContact O-CG 3.27Å; L43-R47 WeakPolarHBondContact O-CG 3.14Å; L43-R47 PolarHBondContact O-N 2.83Å
44S42.5Very low43.3Very low78 Ų78121.1 Ų121.155%0.54561%0.605SS.*Hα-helixtrans-73.2-35.917953.40000112.3
45D42.8Very low43.4Very low113 Ų113121.6 Ų121.660%0.60461%0.605SS**Hα-helixtrans-90.2-27.3-178.4-145.912.9000112.9
46Q43.6Very low43.6Very low135 Ų135117.9 Ų117.963%0.63159%0.594SS**Hα-helixtrans-82.8-28.8172.1-83.7-175.7-19.900114.2R49 A50Q46-R49 PolarHBondContact O-N 3.04Å; Q46-A50 WeakPolarHBondContact O-CB 3.02Å; Q46-A50 PolarHBondContact O-N 3.07Å
47R43.7Very low44Very low168 Ų168117 Ų11763%0.63459%0.593SS**Hα-helixtrans-72.5-28.1174-78.2179.4173.7168.71.4112.8L43 R51L43-R47 HydrophobicContact CD2-CG 4.25Å; L43-R47 WeakPolarHBondContact O-CB 3.27Å; L43-R47 VanDerWaalsContact O-CG 3.27Å; L43-R47 WeakPolarHBondContact O-CG 3.14Å; L43-R47 PolarHBondContact O-N 2.83Å; R47-R51 WeakPolarHBondContact O-CB 3.31Å; R47-R51 PolarHBondContact O-N 2.89Å
48L43.2Very low44.4Very low118 Ų118115.1 Ų115.162%0.61858%0.583SS**Hα-helixtrans-71.4-38172.2-92.8150.9000111.9N52L48-N52 VanDerWaalsContact O-CB 3.31Å; L48-N52 WeakPolarHBondContact O-CB 3.17Å; L48-N52 PolarHBondContact O-N 3.47Å
49R42.9Very low44.9Very low198 Ų198112.5 Ų112.575%0.74757%0.574SS**Hα-helixtrans-78.5-36.6175.7-76-179.1176.1177.70.5114.5Q46 G53Q46-R49 PolarHBondContact O-N 3.04Å; R49-G53 PolarHBondContact O-N 2.92Å
50A44.1Very low45.5Very low59 Ų59111 Ų11149%0.48857%0.569SS.*Hα-helixtrans-80-27.9179.200000113.4Q46 K54Q46-A50 WeakPolarHBondContact O-CB 3.02Å; Q46-A50 PolarHBondContact O-N 3.07Å; A50-K54 WeakPolarHBondContact O-CB 3.16Å; A50-K54 PolarHBondContact O-N 3.25Å
51R43.3Very low46.3Very low194 Ų194113.1 Ų113.173%0.73257%0.568SS**Hα-helixtrans-75.9-38.6171.6-155.1175.5-167.7-178.52.3110.6R47 V55R47-R51 WeakPolarHBondContact O-CB 3.31Å; R47-R51 PolarHBondContact O-N 2.89Å; R51-V55 HydrophobicContact CG-CG2 4.48Å; R51-V55 WeakPolarHBondContact O-CB 3.45Å; R51-V55 WeakPolarHBondContact O-CG2 3.33Å; R51-V55 PolarHBondContact O-N 3.19Å
52N40.4Very low47Very low113 Ų113115.7 Ų115.760%0.60456%0.563SS**Hα-helixtrans-67.5-35.6169.8-78.4-5000112.6L48 S56L48-N52 VanDerWaalsContact O-CB 3.31Å; L48-N52 WeakPolarHBondContact O-CB 3.17Å; L48-N52 PolarHBondContact O-N 3.47Å; N52-S56 WeakPolarHBondContact O-CA 3.32Å; N52-S56 WeakPolarHBondContact O-CB 3.1Å; N52-S56 PolarHBondContact O-N 2.86Å
53G41.9Very low48Very low29 Ų29107.8 Ų107.830%0.29954%0.538SS..Hα-helixtrans-75-35.6176.400000115R49 N57R49-G53 PolarHBondContact O-N 2.92Å; G53-N57 VanDerWaalsContact O-CB 3.24Å; G53-N57 WeakPolarHBondContact O-CB 3.07Å; G53-N57 VanDerWaalsContact O-CG 3.23Å; G53-N57 PolarHBondContact O-N 2.91Å; G53-N57 PolarHBondContact O-ND2 2.72Å
54K44.1Very low49.3Very low157 Ų157109.8 Ų109.868%0.68355%0.548SS*.Hα-helixtrans-77.8-35.8173.1-87.7-175.9173-179.60112.9A50 N57 L58A50-K54 WeakPolarHBondContact O-CB 3.16Å; A50-K54 PolarHBondContact O-N 3.25Å; K54-N57 PolarHBondContact O-N 2.83Å; K54-L58 WeakPolarHBondContact O-CB 2.94Å; K54-L58 PolarHBondContact O-N 2.84Å
55V46.5Very low50.3Low80 Ų80110.7 Ų110.749%0.48555%0.546SS..Hα-helixtrans-69.6-40.4172175.10000109.6R51 V59R51-V55 HydrophobicContact CG-CG2 4.48Å; R51-V55 WeakPolarHBondContact O-CB 3.45Å; R51-V55 WeakPolarHBondContact O-CG2 3.33Å; R51-V55 PolarHBondContact O-N 3.19Å; V55-V59 HydrophobicContact CG1-CG2 4.02Å; V55-V59 WeakPolarHBondContact O-CB 3.24Å; V55-V59 WeakPolarHBondContact O-CG2 3.14Å; V55-V59 PolarHBondContact O-N 2.91Å
56S48Very low51.4Low62 Ų62110.8 Ų110.843%0.43454%0.543SS..Hα-helixtrans-59.9-45.4170.3167.20000112N52 D60N52-S56 WeakPolarHBondContact O-CA 3.32Å; N52-S56 WeakPolarHBondContact O-CB 3.1Å; N52-S56 PolarHBondContact O-N 2.86Å; S56-D60 WeakPolarHBondContact O-CA 3.2Å; S56-D60 WeakPolarHBondContact O-CB 3.47Å; S56-D60 PolarHBondContact O-N 3.49Å
57N52Low52.6Low109 Ų109112.7 Ų112.758%0.58355%0.545SS*.Hα-helixtrans-73.1-31.3-179.9-79.7-28.8000114.3G53 K54 R61G53-N57 VanDerWaalsContact O-CB 3.24Å; G53-N57 WeakPolarHBondContact O-CB 3.07Å; G53-N57 VanDerWaalsContact O-CG 3.23Å; G53-N57 PolarHBondContact O-N 2.91Å; G53-N57 PolarHBondContact O-ND2 2.72Å; K54-N57 PolarHBondContact O-N 2.83Å; N57-R61 WeakPolarHBondContact O-CB 3.22Å; N57-R61 PolarHBondContact O-N 2.86Å
58L51.4Low53.5Low110 Ų110109.4 Ų109.458%0.57654%0.539SS*.Hα-helixtrans-74.7-42172.6-91.6151.5000111.2K54 R61 Q62K54-L58 WeakPolarHBondContact O-CB 2.94Å; K54-L58 PolarHBondContact O-N 2.84Å; L58-R61 PolarHBondContact O-N 2.72Å; L58-Q62 WeakPolarHBondContact O-CB 3.35Å; L58-Q62 PolarHBondContact O-N 3.27Å
59V55.3Low53.8Low86 Ų86109.7 Ų109.752%0.52154%0.537SS..Hα-helixtrans-67.7-35.7173.9174.70000110.6V55 S63V55-V59 HydrophobicContact CG1-CG2 4.02Å; V55-V59 WeakPolarHBondContact O-CB 3.24Å; V55-V59 WeakPolarHBondContact O-CG2 3.14Å; V55-V59 PolarHBondContact O-N 2.91Å; V59-S63 WeakPolarHBondContact O-CA 3.13Å; V59-S63 WeakPolarHBondContact O-CB 3.21Å; V59-S63 PolarHBondContact O-N 2.94Å; V59-S63 PolarHBondContact O-OG 3.4Å
60D57.6Low54.4Low78 Ų78109.1 Ų109.142%0.41754%0.535SS..Hα-helixtrans-66.3-48.1172.2-111.1-19.4000110.3S56 Q62 S63 I64S56-D60 WeakPolarHBondContact O-CA 3.2Å; S56-D60 WeakPolarHBondContact O-CB 3.47Å; S56-D60 PolarHBondContact O-N 3.49Å; D60-Q62 VanDerWaalsContact C-N 3.31Å; D60-Q62 PolarHBondContact O-N 2.83Å; D60-S63 CarbonylContact O-C 3.58Å; D60-S63 PolarHBondContact O-N 2.76Å; D60-S63 PolarHBondContact O-OG 3.24Å; D60-I64 HydrophobicContact CB-CD1 4.48Å; D60-I64 VanDerWaalsContact O-CB 3.23Å; D60-I64 WeakPolarHBondContact O-CB 3.31Å; D60-I64 WeakPolarHBondContact O-CD1 3.09Å; D60-I64 WeakPolarHBondContact O-CG1 3.48Å; D60-I64 PolarHBondContact O-N 3.03Å
61R59.9Low54.9Low180 Ų180111.4 Ų111.468%0.67954%0.538SS*.Hα-helixtrans-62.7-39.2178.4-172.9174.4175.1176.4-1.5112N57 L58 L65N57-R61 WeakPolarHBondContact O-CB 3.22Å; N57-R61 PolarHBondContact O-N 2.86Å; L58-R61 PolarHBondContact O-N 2.72Å; R61-L65 HydrophobicContact CG-CD1 4.34Å; R61-L65 WeakPolarHBondContact O-CB 3.29Å; R61-L65 WeakPolarHBondContact O-CG 3.49Å; R61-L65 PolarHBondContact O-N 2.75Å
62Q58.7Low55.2Low119 Ų119108.6 Ų108.656%0.55653%0.534SS*.Hα-helixtrans-76.4-30.8179-154.6159.69.100111.7L58 D60 Q66L58-Q62 WeakPolarHBondContact O-CB 3.35Å; L58-Q62 PolarHBondContact O-N 3.27Å; D60-Q62 VanDerWaalsContact C-N 3.31Å; D60-Q62 PolarHBondContact O-N 2.83Å; Q62-Q66 VanDerWaalsContact O-CB 3.29Å; Q62-Q66 WeakPolarHBondContact O-CB 3.19Å; Q62-Q66 VanDerWaalsContact O-CG 3.31Å; Q62-Q66 WeakPolarHBondContact O-CG 3.29Å; Q62-Q66 PolarHBondContact O-N 3.28Å
63S63.5Low55.6Low33 Ų33107.6 Ų107.623%0.23153%0.528CS..Hα-helixtrans-75.6-32.1171.183.10000112.7V59 D60 R67V59-S63 WeakPolarHBondContact O-CA 3.13Å; V59-S63 WeakPolarHBondContact O-CB 3.21Å; V59-S63 PolarHBondContact O-N 2.94Å; V59-S63 PolarHBondContact O-OG 3.4Å; D60-S63 CarbonylContact O-C 3.58Å; D60-S63 PolarHBondContact O-N 2.76Å; D60-S63 PolarHBondContact O-OG 3.24Å; S63-R67 WeakPolarHBondContact O-CA 3.23Å; S63-R67 WeakPolarHBondContact O-CB 3.41Å; S63-R67 WeakPolarHBondContact O-CG 3.1Å; S63-R67 PolarHBondContact O-N 3.38Å
64I69.3Low56.2Low86 Ų86109.9 Ų109.944%0.44154%0.536SS..Hα-helixtrans-68.6-44.7171.5-72.4163.8000108.8D60 R67 L68D60-I64 HydrophobicContact CB-CD1 4.48Å; D60-I64 VanDerWaalsContact O-CB 3.23Å; D60-I64 WeakPolarHBondContact O-CB 3.31Å; D60-I64 WeakPolarHBondContact O-CD1 3.09Å; D60-I64 WeakPolarHBondContact O-CG1 3.48Å; D60-I64 PolarHBondContact O-N 3.03Å; I64-R67 CarbonylContact O-C 3.58Å; I64-R67 PolarHBondContact O-N 2.83Å; I64-L68 HydrophobicContact CG2-CD1 3.85Å; I64-L68 HydrophobicContact CG2-CG 4.38Å; I64-L68 VanDerWaalsContact O-CB 3.29Å; I64-L68 WeakPolarHBondContact O-CB 3.48Å; I64-L68 VanDerWaalsContact O-CG 3.27Å; I64-L68 WeakPolarHBondContact O-CG 3.17Å; I64-L68 PolarHBondContact O-N 2.73Å
65L64.4Low56.8Low98 Ų98105.8 Ų105.851%0.51352%0.524SS..Hα-helixtrans-63.4-45173.2-74.6168.9000111.4R61 R67 L68 E69R61-L65 HydrophobicContact CG-CD1 4.34Å; R61-L65 WeakPolarHBondContact O-CB 3.29Å; R61-L65 WeakPolarHBondContact O-CG 3.49Å; R61-L65 PolarHBondContact O-N 2.75Å; L65-R67 VanDerWaalsContact C-N 3.3Å; L65-R67 PolarHBondContact O-N 3.45Å; L65-L68 PolarHBondContact O-N 3.27Å; L65-E69 WeakPolarHBondContact O-CB 3.24Å; L65-E69 PolarHBondContact O-N 2.74Å
66Q64.9Low57.2Low114 Ų114105.7 Ų105.753%0.53352%0.516SS..Hα-helixtrans-65.9-30173.9-81.3179.4-1800113.2Q62 R70Q62-Q66 VanDerWaalsContact O-CB 3.29Å; Q62-Q66 WeakPolarHBondContact O-CB 3.19Å; Q62-Q66 VanDerWaalsContact O-CG 3.31Å; Q62-Q66 WeakPolarHBondContact O-CG 3.29Å; Q62-Q66 PolarHBondContact O-N 3.28Å; Q66-R70 WeakPolarHBondContact O-CB 3.13Å; Q66-R70 VanDerWaalsContact O-CG 3.24Å; Q66-R70 WeakPolarHBondContact O-CG 3.27Å; Q66-R70 PolarHBondContact O-N 3.26Å
67R69.4Low57.3Low176 Ų176108 Ų10866%0.66452%0.523SS*.Hα-helixtrans-76-36.4173.9-84.6175169.5-174.4-1.9111.6S63 I64 L65 L71S63-R67 WeakPolarHBondContact O-CA 3.23Å; S63-R67 WeakPolarHBondContact O-CB 3.41Å; S63-R67 WeakPolarHBondContact O-CG 3.1Å; S63-R67 PolarHBondContact O-N 3.38Å; I64-R67 CarbonylContact O-C 3.58Å; I64-R67 PolarHBondContact O-N 2.83Å; L65-R67 VanDerWaalsContact C-N 3.3Å; L65-R67 PolarHBondContact O-N 3.45Å; R67-L71 WeakPolarHBondContact O-CA 3.14Å; R67-L71 WeakPolarHBondContact O-CB 3.24Å; R67-L71 WeakPolarHBondContact O-CD1 3.27Å; R67-L71 WeakPolarHBondContact O-CG 3.48Å; R67-L71 PolarHBondContact O-N 3.38Å
68L62.7Low57.5Low98 Ų98110.2 Ų110.251%0.51353%0.53SS..Hα-helixtrans-67-44.7172.1-78.5166.7000109.8I64 L65 L71 E72I64-L68 HydrophobicContact CG2-CD1 3.85Å; I64-L68 HydrophobicContact CG2-CG 4.38Å; I64-L68 VanDerWaalsContact O-CB 3.29Å; I64-L68 WeakPolarHBondContact O-CB 3.48Å; I64-L68 VanDerWaalsContact O-CG 3.27Å; I64-L68 WeakPolarHBondContact O-CG 3.17Å; I64-L68 PolarHBondContact O-N 2.73Å; L65-L68 PolarHBondContact O-N 3.27Å; L68-L71 CarbonylContact O-C 3.46Å; L68-L71 PolarHBondContact O-N 3.27Å; L68-E72 WeakPolarHBondContact O-CA 3.2Å; L68-E72 WeakPolarHBondContact O-CB 3.08Å; L68-E72 PolarHBondContact O-N 3.15Å
69E49.1Very low57.6Low125 Ų125107.7 Ų107.758%0.58452%0.517SS*.Hα-helixtrans-65.5-38.8175.4-165.4174.8-147.300110.7L65 D73L65-E69 WeakPolarHBondContact O-CB 3.24Å; L65-E69 PolarHBondContact O-N 2.74Å; E69-D73 VanDerWaalsContact O-CB 3.31Å; E69-D73 WeakPolarHBondContact O-CB 3.38Å; E69-D73 PolarHBondContact O-N 3.15Å
70R55.5Low57.7Low186 Ų186104.9 Ų104.970%0.70250%0.499SS*.Hα-helixtrans-70.9-34.7170.3-82.8-178-179.3-165.41.2113.7Q66 D73 V74Q66-R70 WeakPolarHBondContact O-CB 3.13Å; Q66-R70 VanDerWaalsContact O-CG 3.24Å; Q66-R70 WeakPolarHBondContact O-CG 3.27Å; Q66-R70 PolarHBondContact O-N 3.26Å; R70-D73 PolarHBondContact O-N 2.67Å; R70-V74 VanDerWaalsContact O-CB 3.25Å; R70-V74 WeakPolarHBondContact O-CB 3.47Å; R70-V74 WeakPolarHBondContact O-CG2 3.27Å; R70-V74 PolarHBondContact O-N 3.39Å
71L54.1Low57.9Low106 Ų106102.8 Ų102.856%0.55550%0.496SS*.Hα-helixtrans-70.2-40.7175.3-92.5157.1000109.7R67 L68 V74 V75R67-L71 WeakPolarHBondContact O-CA 3.14Å; R67-L71 WeakPolarHBondContact O-CB 3.24Å; R67-L71 WeakPolarHBondContact O-CD1 3.27Å; R67-L71 WeakPolarHBondContact O-CG 3.48Å; R67-L71 PolarHBondContact O-N 3.38Å; L68-L71 CarbonylContact O-C 3.46Å; L68-L71 PolarHBondContact O-N 3.27Å; L71-V74 PolarHBondContact O-N 2.73Å; L71-V75 WeakPolarHBondContact O-CB 3.43Å; L71-V75 WeakPolarHBondContact O-CG2 3.34Å; L71-V75 PolarHBondContact O-N 2.83Å
72E50.6Low58.8Low136 Ų13696 Ų9664%0.63647%0.473SS*.Hα-helixtrans-59.1-51.9170.1-165.9168-15900108.3L68 V74 V75 Y76L68-E72 WeakPolarHBondContact O-CA 3.2Å; L68-E72 WeakPolarHBondContact O-CB 3.08Å; L68-E72 PolarHBondContact O-N 3.15Å; E72-V74 PolarHBondContact O-N 3.49Å; E72-V75 PolarHBondContact O-N 3.38Å; E72-Y76 WeakPolarHBondContact O-CA 3.31Å; E72-Y76 WeakPolarHBondContact O-CB 3.1Å; E72-Y76 PolarHBondContact O-N 2.91Å
73D47.8Very low60Low91 Ų9190.4 Ų90.449%0.48745%0.446SS..Hα-helixtrans-59.9-37.2175-118.78000113.6E69 R70 N77E69-D73 VanDerWaalsContact O-CB 3.31Å; E69-D73 WeakPolarHBondContact O-CB 3.38Å; E69-D73 PolarHBondContact O-N 3.15Å; R70-D73 PolarHBondContact O-N 2.67Å; D73-N77 WeakPolarHBondContact O-CB 3.13Å; D73-N77 PolarHBondContact O-N 3.07Å; D73-N77 PolarHBondContact O-ND2 3.26Å
74V55.5Low60.9Low78 Ų7896.7 Ų96.747%0.47347%0.47SS..Hα-helixtrans-75.1-41.4179.3167.30000111.1R70 L71 E72 Y76 N77 Q78R70-V74 VanDerWaalsContact O-CB 3.25Å; R70-V74 WeakPolarHBondContact O-CB 3.47Å; R70-V74 WeakPolarHBondContact O-CG2 3.27Å; R70-V74 PolarHBondContact O-N 3.39Å; L71-V74 PolarHBondContact O-N 2.73Å; E72-V74 PolarHBondContact O-N 3.49Å; V74-Y76 VanDerWaalsContact C-N 3.34Å; V74-N77 PolarHBondContact O-N 3.06Å; V74-Q78 WeakPolarHBondContact O-CB 3.49Å; V74-Q78 WeakPolarHBondContact O-CG 3.14Å; V74-Q78 PolarHBondContact O-N 3.1Å
75V57.4Low61.6Low71 Ų7198 Ų9843%0.4348%0.484SS..Hα-helixtrans-64.9-42.8172.7167.60000109.7L71 E72 Q78 L79L71-V75 WeakPolarHBondContact O-CB 3.43Å; L71-V75 WeakPolarHBondContact O-CG2 3.34Å; L71-V75 PolarHBondContact O-N 2.83Å; E72-V75 PolarHBondContact O-N 3.38Å; V75-Q78 PolarHBondContact O-N 2.89Å; V75-L79 HydrophobicContact CG1-CD1 3.57Å; V75-L79 HydrophobicContact CG1-CG 4.42Å; V75-L79 VanDerWaalsContact O-CB 3.27Å; V75-L79 WeakPolarHBondContact O-CB 3.3Å; V75-L79 WeakPolarHBondContact O-CG 3.32Å; V75-L79 PolarHBondContact O-N 2.69Å
76Y53.4Low62.6Low78 Ų7895.3 Ų95.331%0.30647%0.469SS..Hα-helixtrans-62-45.6175.6-168.5-99.2000110.8E72 V74 L79 N80 G91 P92E72-Y76 WeakPolarHBondContact O-CA 3.31Å; E72-Y76 WeakPolarHBondContact O-CB 3.1Å; E72-Y76 PolarHBondContact O-N 2.91Å; V74-Y76 VanDerWaalsContact C-N 3.34Å; Y76-L79 PolarHBondContact O-N 2.8Å; Y76-N80 WeakPolarHBondContact CD1-ND2 3.25Å; Y76-N80 WeakPolarHBondContact CD2-ND2 3.47Å; Y76-N80 WeakPolarHBondContact CE1-ND2 3.37Å; Y76-N80 WeakPolarHBondContact CE2-ND2 3.5Å; Y76-N80 WeakPolarHBondContact O-CA 3.33Å; Y76-N80 WeakPolarHBondContact O-CB 3.42Å; Y76-N80 PolarHBondContact O-N 3.22Å; Y76-N80 PolarHBondContact O-ND2 2.78Å; Y76-N80 VanDerWaalsContact O-ND2 3.12Å; Y76-N80 PolarHBondContact OH-ND2 2.83Å; Y76-G91 WeakPolarHBondContact OH-CA 3.47Å; Y76-P92 WeakPolarHBondContact OH-CD 3.29Å
77N51.1Low63.5Low110 Ų11091.9 Ų91.959%0.58847%0.465SS*.Hα-helixtrans-73.3-27.9176-75.6-51.5000113.9D73 V74D73-N77 WeakPolarHBondContact O-CB 3.13Å; D73-N77 PolarHBondContact O-N 3.07Å; D73-N77 PolarHBondContact O-ND2 3.26Å; V74-N77 PolarHBondContact O-N 3.06Å
78Q55.8Low64.5Low156 Ų15684.1 Ų84.173%0.72944%0.436SS*.Hα-helixtrans-75.4-28171.9-82.5-174-33.700112.7V74 V75V74-Q78 WeakPolarHBondContact O-CB 3.49Å; V74-Q78 WeakPolarHBondContact O-CG 3.14Å; V74-Q78 PolarHBondContact O-N 3.1Å; V75-Q78 PolarHBondContact O-N 2.89Å
79L54.2Low65.7Low56 Ų5682.2 Ų82.229%0.29343%0.429SS..Hα-helixtrans-90.7-33.1177.3-68.5169.1000113V75 Y76 G81 L82V75-L79 HydrophobicContact CG1-CD1 3.57Å; V75-L79 HydrophobicContact CG1-CG 4.42Å; V75-L79 VanDerWaalsContact O-CB 3.27Å; V75-L79 WeakPolarHBondContact O-CB 3.3Å; V75-L79 WeakPolarHBondContact O-CG 3.32Å; V75-L79 PolarHBondContact O-N 2.69Å; Y76-L79 PolarHBondContact O-N 2.8Å; L79-G81 VanDerWaalsContact C-N 3.28Å; L79-G81 PolarHBondContact O-N 3.49Å; L79-L82 WeakPolarHBondContact O-CG 3.03Å
80N56Low67.5Low27 Ų2777.7 Ų77.714%0.14441%0.408CS..THydrogen-bonded Turntrans-91.327.3-174.4-63.1-21.4000114.8Y76 E90Y76-N80 WeakPolarHBondContact CD1-ND2 3.25Å; Y76-N80 WeakPolarHBondContact CD2-ND2 3.47Å; Y76-N80 WeakPolarHBondContact CE1-ND2 3.37Å; Y76-N80 WeakPolarHBondContact CE2-ND2 3.5Å; Y76-N80 WeakPolarHBondContact O-CA 3.33Å; Y76-N80 WeakPolarHBondContact O-CB 3.42Å; Y76-N80 PolarHBondContact O-N 3.22Å; Y76-N80 PolarHBondContact O-ND2 2.78Å; Y76-N80 VanDerWaalsContact O-ND2 3.12Å; Y76-N80 PolarHBondContact OH-ND2 2.83Å; N80-E90 WeakPolarHBondContact CA-OE2 3.12Å; N80-E90 HydrophobicContact CB-CB 4.04Å
81G62.1Low68.8Low34 Ų3469.1 Ų69.135%0.35138%0.377SS..THydrogen-bonded Turntrans-109.30.3165.500000112.4L79 P85L79-G81 VanDerWaalsContact C-N 3.28Å; L79-G81 PolarHBondContact O-N 3.49Å; G81-P85 WeakPolarHBondContact O-CD 3.45Å
82L80.1Confident70Confident39 Ų3968.9 Ų68.920%0.20438%0.382CS..SBendtrans-73.5-34.3-173.8-71.7175.8000111.6L79 E90 Y207 K210 R211L79-L82 WeakPolarHBondContact O-CG 3.03Å; L82-E90 PolarHBondContact N-OE2 2.7Å; L82-Y207 HydrophobicContact CB-CD2 3.8Å; L82-Y207 HydrophobicContact CB-CE2 3.59Å; L82-K210 HydrophobicContact CD1-CB 3.86Å; L82-K210 HydrophobicContact CD2-CB 4.25Å; L82-K210 HydrophobicContact CD2-CD 3.75Å; L82-R211 HydrophobicContact CD1-CB 4.03Å
83A82.8Confident71.5Confident0 Ų063.4 Ų63.40%036%0.362CS..SBendtrans-85.3-19.9-179.400000112.6M86 G87 L88 E90 L130 Y207A83-M86 CarbonylContact O-C 3.44Å; A83-M86 WeakPolarHBondContact O-CA 3.07Å; A83-M86 WeakPolarHBondContact O-CB 3.33Å; A83-M86 PolarHBondContact O-N 2.79Å; A83-G87 PolarHBondContact O-N 3.19Å; A83-L88 HydrophobicContact CB-CB 3.66Å; A83-L88 HydrophobicContact CB-CD1 4.49Å; A83-L88 PolarHBondContact O-N 3.21Å; A83-E90 HydrophobicContact CB-CG 3.6Å; A83-E90 PolarHBondContact N-OE2 2.68Å; A83-L130 HydrophobicContact CB-CD1 3.99Å; A83-Y207 HydrophobicContact CB-CD2 4.48Å; A83-Y207 HydrophobicContact CB-CE2 3.74Å
84K83.7Confident73.5Confident165 Ų16562.3 Ų62.372%0.71737%0.372SS*.G310 helixtrans-60.5-44.8-177.6-177-179.3-176.21790114.1M86 G87K84-M86 PolarHBondContact O-N 2.65Å; K84-M86 VanDerWaalsContact O-N 3.16Å; K84-G87 PolarHBondContact O-N 3.23Å
85P83.1Confident75.3Confident113 Ų11362 Ų6273%0.73437%0.367SS*.G310 helixtrans-58.5-23.3172.5-25.533.7000113.7G81 G87G81-P85 WeakPolarHBondContact O-CD 3.45Å; P85-G87 VanDerWaalsContact C-N 3.33Å
86M85.1Confident77Confident42 Ų4258.9 Ų58.921%0.20735%0.35CS..G310 helixtrans-92.45179-58.316054.200112A83 K84 L88 L165 L169 N203 Y207A83-M86 CarbonylContact O-C 3.44Å; A83-M86 WeakPolarHBondContact O-CA 3.07Å; A83-M86 WeakPolarHBondContact O-CB 3.33Å; A83-M86 PolarHBondContact O-N 2.79Å; K84-M86 PolarHBondContact O-N 2.65Å; K84-M86 VanDerWaalsContact O-N 3.16Å; M86-L88 VanDerWaalsContact C-N 3.28Å; M86-L88 HydrophobicContact CB-CD1 4.47Å; M86-L88 HydrophobicContact CB-CG 4.27Å; M86-L88 HydrophobicContact CE-CD1 4.25Å; M86-L88 PolarHBondContact O-N 3.33Å; M86-L165 HydrophobicContact CE-CD1 4.37Å; M86-L165 HydrophobicContact CE-CD2 3.15Å; M86-L165 HydrophobicContact CE-CG 3.89Å; M86-L169 HydrophobicContact CE-CD1 4.09Å; M86-N203 HydrophobicContact CE-CB 3.75Å; M86-N203 HydrophobicContact CG-CB 4.35Å; M86-N203 HydrophobicContact SD-CB 4.13Å; M86-Y207 HydrophobicContact SD-CD2 4.07Å
87G83.6Confident79Confident43 Ų4358.5 Ų58.544%0.44335%0.351SS..THydrogen-bonded Turntrans76.910.3179.900000114.9A83 K84 P85A83-G87 PolarHBondContact O-N 3.19Å; K84-G87 PolarHBondContact O-N 3.23Å; P85-G87 VanDerWaalsContact C-N 3.33Å
88L90.3Very high81.1Confident13 Ų1355 Ų557%0.06834%0.34CS..  trans-98160-176-56.7-175.8000111.9A83 M86 D126 L130 L165 L169A83-L88 HydrophobicContact CB-CB 3.66Å; A83-L88 HydrophobicContact CB-CD1 4.49Å; A83-L88 PolarHBondContact O-N 3.21Å; M86-L88 VanDerWaalsContact C-N 3.28Å; M86-L88 HydrophobicContact CB-CD1 4.47Å; M86-L88 HydrophobicContact CB-CG 4.27Å; M86-L88 HydrophobicContact CE-CD1 4.25Å; M86-L88 PolarHBondContact O-N 3.33Å; L88-D126 HydrophobicContact CD2-CB 4.01Å; L88-L130 HydrophobicContact CD1-CD1 4.46Å; L88-L165 HydrophobicContact CD1-CG 4.42Å; L88-L169 HydrophobicContact CD1-CD1 3.81Å
89V88.8Confident83Confident58 Ų5847.7 Ų47.735%0.35231%0.307SS..  trans-109.7130.5-177.4-175.70000110.1S129 L130V89-S129 CarbonylContact O-C 3.6Å; V89-S129 WeakPolarHBondContact O-CA 3.34Å; V89-L130 WeakPolarHBondContact O-CG 3.44Å; V89-L130 PolarHBondContact O-N 3.13Å
90E86.9Confident85Confident30 Ų3047.5 Ų47.514%0.1431%0.313CS..  trans-114.6152.1175.3-74.3171.2134.100110.8N80 L82 A83 L130 Y207N80-E90 WeakPolarHBondContact CA-OE2 3.12Å; N80-E90 HydrophobicContact CB-CB 4.04Å; L82-E90 PolarHBondContact N-OE2 2.7Å; A83-E90 HydrophobicContact CB-CG 3.6Å; A83-E90 PolarHBondContact N-OE2 2.68Å; E90-L130 HydrophobicContact CG-CD1 4.08Å; E90-Y207 WeakPolarHBondContact OE1-CE2 3.34Å; E90-Y207 PolarHBondContact OE1-OH 2.79Å
91G82.9Confident86.9Confident6 Ų649 Ų496%0.06233%0.33CS..SBendtrans93.3171.5172.700000118Y76 S129 D131Y76-G91 WeakPolarHBondContact OH-CA 3.47Å; G91-S129 PolarHBondContact N-OG 2.76Å; G91-S129 WeakPolarHBondContact O-CB 3.17Å; G91-S129 PolarHBondContact O-OG 3.21Å; G91-D131 PolarHBondContact N-OD2 3.08Å
92P79Confident88.3Confident101 Ų10147.6 Ų47.666%0.65632%0.315SS*.SBendtrans-71.6145.8-168.931-36.8000111.3Y76Y76-P92 WeakPolarHBondContact OH-CD 3.29Å
93G82.7Confident88.8Confident21 Ų2150.7 Ų50.722%0.21634%0.336CS..  trans94.9-162.8174.400000113.8
94G89.6Confident88.8Confident68 Ų6853.1 Ų53.170%0.70135%0.348SS*.SBendtrans80.4-160.9-175.200000113.7Q97G94-Q97 WeakPolarHBondContact O-CB 3.3Å; G94-Q97 PolarHBondContact O-N 2.78Å
95L92.8Very high88.4Confident71 Ų7148.2 Ų48.237%0.37235%0.345SS..BIsolated β-bridgetrans-61.1140.3178.9-67.1177.9000110.6Q97 A102 L104 L124 R127 I128L95-Q97 PolarHBondContact O-N 3.39Å; L95-A102 HydrophobicContact CB-CB 4.1Å; L95-L104 HydrophobicContact CD1-CD2 4.29Å; L95-L124 HydrophobicContact CD1-CD1 4.33Å; L95-R127 HydrophobicContact CD1-CB 3.99Å; L95-I128 HydrophobicContact CB-CG1 4.12Å; L95-I128 WeakPolarHBondContact O-CG2 3.45Å
96G93.4Very high87.2Confident6 Ų652.5 Ų52.56%0.06236%0.355CS..THydrogen-bonded Turntrans71.69.2175.300000115.2G99 A100 R132G96-G99 PolarHBondContact O-N 3.31Å; G96-G99 VanDerWaalsContact O-N 3.14Å; G96-A100 WeakPolarHBondContact CA-O 3.25Å; G96-R132 VanDerWaalsContact O-CD 3.3Å; G96-R132 WeakPolarHBondContact O-CD 3.45Å; G96-R132 PolarHBondContact O-NH1 3.05Å
97Q95.6Very high85.6Confident69 Ų6958.3 Ų58.332%0.32239%0.387SS..G310 helixtrans-59.4138.7176.8179.965.25.600111.3G94 L95 G99 A100 S133G94-Q97 WeakPolarHBondContact O-CB 3.3Å; G94-Q97 PolarHBondContact O-N 2.78Å; L95-Q97 PolarHBondContact O-N 3.39Å; Q97-G99 PolarHBondContact O-N 2.72Å; Q97-A100 PolarHBondContact O-N 3.34Å; Q97-S133 VanDerWaalsContact CD-OG 3.28Å; Q97-S133 PolarHBondContact NE2-OG 3.01Å
98G94.6Very high84.1Confident36 Ų3658.4 Ų58.437%0.37138%0.38SS..G310 helixtrans68.619.9-176.400000112.9A100 S133 P135G98-A100 PolarHBondContact O-N 2.85Å; G98-S133 CarbonylContact C-O 3.46Å; G98-S133 VanDerWaalsContact CA-O 3.22Å; G98-S133 WeakPolarHBondContact CA-O 3.47Å; G98-S133 WeakPolarHBondContact CA-OG 3.12Å; G98-S133 PolarHBondContact N-O 3.1Å; G98-S133 PolarHBondContact N-OG 3.41Å; G98-P135 WeakPolarHBondContact O-CD 3.41Å
99G95.3Very high82.1Confident3 Ų366.6 Ų66.63%0.03142%0.418CS..G310 helixtrans66.718.6-175.900000114.8G96 Q97 S133 E285 V286G96-G99 PolarHBondContact O-N 3.31Å; G96-G99 VanDerWaalsContact O-N 3.14Å; Q97-G99 PolarHBondContact O-N 2.72Å; G99-S133 PolarHBondContact N-O 2.93Å; G99-E285 CarbonylContact O-C 3.07Å; G99-E285 WeakPolarHBondContact O-CA 3.29Å; G99-V286 PolarHBondContact O-N 2.94Å
100A96.4Very high80.3Confident52 Ų5270 Ų7043%0.4344%0.435SS..  trans-68152.5177.300000111.9G96 Q97 G98 A102G96-A100 WeakPolarHBondContact CA-O 3.25Å; Q97-A100 PolarHBondContact O-N 3.34Å; G98-A100 PolarHBondContact O-N 2.85Å; A100-A102 PolarHBondContact O-N 3.15Å
101A95.4Very high78.6Confident59 Ų5970 Ų7049%0.48844%0.439SS..  trans-58.2135.1170.800000110.9T283 E285A101-T283 HydrophobicContact CB-CG2 4.49Å; A101-E285 HydrophobicContact CB-CB 3.92Å; A101-E285 HydrophobicContact CB-CG 4.22Å
102A92.8Very high77.3Confident5 Ų577.3 Ų77.34%0.04147%0.472CS..  trans-123.9153.517600000111.1L95 A100 L124 I128 T283L95-A102 HydrophobicContact CB-CB 4.1Å; A100-A102 PolarHBondContact O-N 3.15Å; A102-L124 HydrophobicContact CB-CD1 3.92Å; A102-L124 HydrophobicContact CB-CD2 4.22Å; A102-L124 HydrophobicContact CB-CG 4.5Å; A102-L124 VanDerWaalsContact O-CD2 3.24Å; A102-L124 WeakPolarHBondContact O-CD2 3.13Å; A102-I128 HydrophobicContact CB-CD1 4.35Å; A102-T283 PolarHBondContact N-O 3.24Å; A102-T283 WeakPolarHBondContact O-CA 3.17Å
103T89.4Confident76.2Confident104 Ų10475 Ų7564%0.63847%0.466SS*.  trans-140.414817655.60000109.6
104L84.1Confident75.1Confident51 Ų5177 Ų7727%0.26747%0.469SS..  trans-83.7147.4163.9-57.8179.1000108L95 Q123 L124 R127L95-L104 HydrophobicContact CD1-CD2 4.29Å; L104-Q123 HydrophobicContact CD1-CB 3.96Å; L104-L124 HydrophobicContact CD1-CB 4.41Å; L104-L124 HydrophobicContact CD2-CD1 3.82Å; L104-L124 HydrophobicContact CG-CB 4.31Å; L104-L124 HydrophobicContact CG-CD1 3.95Å; L104-R127 HydrophobicContact CD2-CB 4.15Å; L104-R127 HydrophobicContact CD2-CG 3.83Å
105G74.2Confident74.1Confident62 Ų6277 Ų7764%0.63945%0.448SS*.  trans-63.8164.117700000112.8D107G105-D107 PolarHBondContact O-N 3.47Å
106E57.5Low73Confident202 Ų20279.8 Ų79.894%0.94446%0.459SS*.THydrogen-bonded Turntrans-59-10.7-169.7-69.9-176.1160.100116.3S108E106-S108 VanDerWaalsContact C-N 3.33Å; E106-S108 PolarHBondContact O-N 3.41Å
107D51.7Low72.3Confident165 Ų16584.4 Ų84.488%0.88248%0.479SS*.THydrogen-bonded Turntrans-82.55.9-176.8-70.9-34.8000115.4G105 H109G105-D107 PolarHBondContact O-N 3.47Å; D107-H109 PolarHBondContact O-N 3.02Å
108S53.8Low71.9Confident44 Ų4481.8 Ų81.831%0.30847%0.467SS..  trans-95.374.9-176.471.60000113.4E106 D110 A111E106-S108 VanDerWaalsContact C-N 3.33Å; E106-S108 PolarHBondContact O-N 3.41Å; S108-D110 PolarHBondContact O-N 2.97Å; S108-A111 VanDerWaalsContact O-CB 3.25Å; S108-A111 WeakPolarHBondContact O-CB 3.22Å; S108-A111 PolarHBondContact O-N 2.89Å; S108-A111 VanDerWaalsContact O-N 3.16Å
109H47.4Very low71.6Confident185 Ų18580.1 Ų80.186%0.85645%0.449SS*.THydrogen-bonded Turntrans-62.7-16172.2-80.1-69000114.2D107 A111D107-H109 PolarHBondContact O-N 3.02Å; H109-A111 VanDerWaalsContact C-N 3.25Å; H109-A111 PolarHBondContact O-N 2.03Å
110D51Low71.5Confident131 Ų13180 Ų8070%0.70145%0.447SS*.THydrogen-bonded Turntrans-77.4-2.2173.9-73.4-29.8000113.9S108 E112 Q123S108-D110 PolarHBondContact O-N 2.97Å; D110-E112 PolarHBondContact O-N 3.16Å; D110-Q123 PolarHBondContact O-NE2 2.77Å
111A51.6Low71.2Confident29 Ų2978.8 Ų78.824%0.2443%0.434CS..Hα-helixtrans-66.6-28.1-171.200000115.3S108 H109S108-A111 VanDerWaalsContact O-CB 3.25Å; S108-A111 WeakPolarHBondContact O-CB 3.22Å; S108-A111 PolarHBondContact O-N 2.89Å; S108-A111 VanDerWaalsContact O-N 3.16Å; H109-A111 VanDerWaalsContact C-N 3.25Å; H109-A111 PolarHBondContact O-N 2.03Å
112E54.2Low71.1Confident160 Ų16076 Ų7675%0.74841%0.411SS*.Hα-helixtrans-74.9-36.6-176.8-71.1-178.9168.700112.6D110 Y115 E116D110-E112 PolarHBondContact O-N 3.16Å; E112-Y115 WeakPolarHBondContact O-CB 3.45Å; E112-Y115 PolarHBondContact O-N 3.16Å; E112-E116 PolarHBondContact O-N 3.35Å
113G55.9Low70.9Confident51 Ų5177.4 Ų77.453%0.52642%0.417SS..Hα-helixtrans-67.1-47.2-172.200000114.6Y115 E116 E117G113-Y115 VanDerWaalsContact C-N 3.3Å; G113-Y115 PolarHBondContact O-N 2.89Å; G113-E116 PolarHBondContact O-N 3.46Å; G113-E117 PolarHBondContact O-N 2.97Å
114K61.5Low71Confident63 Ų6372.4 Ų72.427%0.27439%0.386SS..Hα-helixtrans-71.3-27.4177-79.9-165.5178.1-176.80112.2E116 E117 Y118 A122 Q123 D126K114-E116 VanDerWaalsContact C-N 3.34Å; K114-E117 PolarHBondContact O-N 3.28Å; K114-Y118 VanDerWaalsContact O-CD2 3.32Å; K114-Y118 WeakPolarHBondContact O-CD2 2.8Å; K114-Y118 PolarHBondContact O-N 3.45Å; K114-A122 HydrophobicContact CB-CB 4.42Å; K114-A122 HydrophobicContact CD-CB 4.37Å; K114-Q123 HydrophobicContact CB-CG 4.1Å; K114-Q123 HydrophobicContact CD-CG 3.6Å; K114-Q123 HydrophobicContact CG-CG 4.23Å; K114-D126 IonicContact NZ-OD2 3.23Å; K114-D126 PolarHBondContact NZ-OD2 3.31Å
115Y67.7Low71.6Confident68 Ų6870 Ų7027%0.26737%0.373SS..Hα-helixtrans-63.4-42.9174.6-177.9-82.3000111.4E112 G113 E117 G119 Y281 T383E112-Y115 WeakPolarHBondContact O-CB 3.45Å; E112-Y115 PolarHBondContact O-N 3.16Å; G113-Y115 VanDerWaalsContact C-N 3.3Å; G113-Y115 PolarHBondContact O-N 2.89Å; Y115-E117 VanDerWaalsContact C-N 3.29Å; Y115-E117 PolarHBondContact O-N 3.09Å; Y115-G119 WeakPolarHBondContact O-CA 2.84Å; Y115-G119 PolarHBondContact O-N 2.81Å; Y115-Y281 AromaticContact CE2-CD2 3.49Å; Y115-Y281 HydrophobicContact CE2-CD2 3.49Å; Y115-Y281 VanDerWaalsContact CE2-CD2 3.49Å; Y115-Y281 AromaticContact CE2-CE2 3.66Å; Y115-Y281 HydrophobicContact CE2-CE2 3.66Å; Y115-Y281 AromaticContact CZ-CD2 3.79Å; Y115-Y281 AromaticContact CZ-CE2 3.68Å; Y115-Y281 VanDerWaalsContact OH-CD2 3.3Å; Y115-Y281 WeakPolarHBondContact OH-CD2 3.28Å; Y115-Y281 WeakPolarHBondContact OH-CE2 3.47Å; Y115-T383 WeakPolarHBondContact OH-CG2 3.35Å
116E68.6Low72.5Confident130 Ų13068.6 Ų68.661%0.60735%0.351SS*.Hα-helixtrans-66.9-27174.7-69.4-168163.200113.3E112 G113 K114 K384E112-E116 PolarHBondContact O-N 3.35Å; G113-E116 PolarHBondContact O-N 3.46Å; K114-E116 VanDerWaalsContact C-N 3.34Å; E116-K384 WeakPolarHBondContact O-CE 3.45Å; E116-K384 PolarHBondContact O-NZ 3.49Å
117E80.6Confident74.2Confident103 Ų10366 Ų6648%0.48133%0.333SS..Hα-helixtrans-74.1-49.8179.8-171.6179.8178.100112G113 K114 Y115 P386G113-E117 PolarHBondContact O-N 2.97Å; K114-E117 PolarHBondContact O-N 3.28Å; Y115-E117 VanDerWaalsContact C-N 3.29Å; Y115-E117 PolarHBondContact O-N 3.09Å; E117-P386 WeakPolarHBondContact O-CB 3.45Å
118Y86.3Confident76.2Confident15 Ų1558.2 Ų58.26%0.05929%0.291CS..Hα-helixtrans-96.7-18.1-172.6-60.3-83.4000113.5K114 Y120 A122 N162 A164 R382K114-Y118 VanDerWaalsContact O-CD2 3.32Å; K114-Y118 WeakPolarHBondContact O-CD2 2.8Å; K114-Y118 PolarHBondContact O-N 3.45Å; Y118-Y120 HydrophobicContact CG-CE2 4.37Å; Y118-A122 HydrophobicContact CD2-CB 3.54Å; Y118-A122 HydrophobicContact CE2-CB 3.99Å; Y118-A122 HydrophobicContact CG-CB 4.13Å; Y118-N162 VanDerWaalsContact CE1-O 3.22Å; Y118-N162 WeakPolarHBondContact CE1-O 3.38Å; Y118-A164 HydrophobicContact CD1-CB 4.03Å; Y118-A164 HydrophobicContact CE1-CB 3.91Å; Y118-A164 VanDerWaalsContact CE1-N 3.33Å; Y118-A164 HydrophobicContact CG-CB 4.45Å; Y118-R382 PolarHBondContact O-NH1 3.31Å
119G88.6Confident78.2Confident0 Ų056.1 Ų56.10%028%0.277CS..SBendtrans77.211.7-170.700000113.7Y115 T383Y115-G119 WeakPolarHBondContact O-CA 2.84Å; Y115-G119 PolarHBondContact O-N 2.81Å; G119-T383 PolarHBondContact O-N 3.32Å; G119-T383 PolarHBondContact O-OG1 3.1Å
120Y92.1Very high80.6Confident0 Ų047.5 Ų47.50%024%0.237CC..SBendtrans-153167.9172.561.4-106.5000110.6Y118 A122 E163 A164 V167 Y281 F284 I380 R382Y118-Y120 HydrophobicContact CG-CE2 4.37Å; Y120-A122 HydrophobicContact CD2-CB 4.37Å; Y120-A122 HydrophobicContact CE2-CB 3.96Å; Y120-A122 PolarHBondContact O-N 3.43Å; Y120-E163 PolarHBondContact OH-OE1 2.84Å; Y120-A164 HydrophobicContact CE2-CB 4.15Å; Y120-A164 VanDerWaalsContact OH-CB 3.3Å; Y120-A164 WeakPolarHBondContact OH-CB 3.02Å; Y120-A164 PolarHBondContact OH-N 3.17Å; Y120-V167 HydrophobicContact CE2-CG2 3.75Å; Y120-Y281 CarbonylContact C-O 3.58Å; Y120-Y281 WeakPolarHBondContact CA-O 3.17Å; Y120-Y281 WeakPolarHBondContact CB-O 3.27Å; Y120-F284 HydrophobicContact CD2-CE2 4.3Å; Y120-F284 AromaticContact CD2-CZ 3.94Å; Y120-F284 HydrophobicContact CD2-CZ 3.94Å; Y120-F284 HydrophobicContact CE2-CZ 4.36Å; Y120-I380 HydrophobicContact CD1-CG2 3.84Å; Y120-I380 HydrophobicContact CG-CG2 3.98Å; Y120-R382 HydrophobicContact CD1-CG 4.25Å
121N91.8Very high82.6Confident27 Ų2742.6 Ų42.614%0.14421%0.21CC..  trans-77.776.8-175.5-169.4-11.2000112.8Q123 L124 S125 Y281 N282 F284N121-Q123 PolarHBondContact O-N 3.19Å; N121-L124 HydrophobicContact CB-CB 4.15Å; N121-L124 VanDerWaalsContact CG-CB 3.41Å; N121-L124 WeakPolarHBondContact ND2-CB 2.9Å; N121-L124 PolarHBondContact O-N 3.34Å; N121-L124 WeakPolarHBondContact OD1-CB 3.12Å; N121-L124 PolarHBondContact OD1-N 3.35Å; N121-S125 PolarHBondContact O-N 2.93Å; N121-S125 VanDerWaalsContact O-N 3.1Å; N121-Y281 WeakPolarHBondContact CB-O 3.17Å; N121-Y281 PolarHBondContact N-O 3.22Å; N121-N282 PolarHBondContact ND2-O 2.76Å; N121-F284 HydrophobicContact CB-CE2 4.41Å; N121-F284 VanDerWaalsContact O-CE2 3.28Å; N121-F284 WeakPolarHBondContact O-CE2 3.48Å
122A91.8Very high84.7Confident1 Ų141.6 Ų41.61%0.00820%0.201CC..Hα-helixtrans-61.6-29179.300000113.4K114 Y118 Y120 S125 D126 A164K114-A122 HydrophobicContact CB-CB 4.42Å; K114-A122 HydrophobicContact CD-CB 4.37Å; Y118-A122 HydrophobicContact CD2-CB 3.54Å; Y118-A122 HydrophobicContact CE2-CB 3.99Å; Y118-A122 HydrophobicContact CG-CB 4.13Å; Y120-A122 HydrophobicContact CD2-CB 4.37Å; Y120-A122 HydrophobicContact CE2-CB 3.96Å; Y120-A122 PolarHBondContact O-N 3.43Å; A122-S125 VanDerWaalsContact O-CB 3.27Å; A122-S125 WeakPolarHBondContact O-CB 3.01Å; A122-S125 PolarHBondContact O-N 3.2Å; A122-D126 PolarHBondContact O-N 2.81Å; A122-A164 HydrophobicContact CB-CB 3.98Å
123Q89.6Confident86.7Confident34 Ų3436.2 Ų36.216%0.15918%0.18CC..Hα-helixtrans-65.2-44.1175.7-70-176.1-9.200112.4L104 D110 K114 N121 S125 D126L104-Q123 HydrophobicContact CD1-CB 3.96Å; D110-Q123 PolarHBondContact O-NE2 2.77Å; K114-Q123 HydrophobicContact CB-CG 4.1Å; K114-Q123 HydrophobicContact CD-CG 3.6Å; K114-Q123 HydrophobicContact CG-CG 4.23Å; N121-Q123 PolarHBondContact O-N 3.19Å; Q123-S125 VanDerWaalsContact C-N 3.3Å; Q123-D126 PolarHBondContact O-N 3.45Å
124L92.1Very high88.7Confident0 Ų034.7 Ų34.70%016%0.16CC..Hα-helixtrans-63-42.8174.2176.862.5000110.2L95 A102 L104 N121 D126 R127 I128 N282 F284L95-L124 HydrophobicContact CD1-CD1 4.33Å; A102-L124 HydrophobicContact CB-CD1 3.92Å; A102-L124 HydrophobicContact CB-CD2 4.22Å; A102-L124 HydrophobicContact CB-CG 4.5Å; A102-L124 VanDerWaalsContact O-CD2 3.24Å; A102-L124 WeakPolarHBondContact O-CD2 3.13Å; L104-L124 HydrophobicContact CD1-CB 4.41Å; L104-L124 HydrophobicContact CD2-CD1 3.82Å; L104-L124 HydrophobicContact CG-CB 4.31Å; L104-L124 HydrophobicContact CG-CD1 3.95Å; N121-L124 HydrophobicContact CB-CB 4.15Å; N121-L124 VanDerWaalsContact CG-CB 3.41Å; N121-L124 WeakPolarHBondContact ND2-CB 2.9Å; N121-L124 PolarHBondContact O-N 3.34Å; N121-L124 WeakPolarHBondContact OD1-CB 3.12Å; N121-L124 PolarHBondContact OD1-N 3.35Å; L124-D126 VanDerWaalsContact C-N 3.28Å; L124-D126 PolarHBondContact O-N 2.69Å; L124-R127 PolarHBondContact O-N 3.32Å; L124-I128 HydrophobicContact CD1-CD1 4.35Å; L124-I128 HydrophobicContact CD1-CG1 4.36Å; L124-I128 HydrophobicContact CD2-CD1 4.41Å; L124-I128 HydrophobicContact CG-CD1 3.9Å; L124-I128 HydrophobicContact CG-CG1 4.35Å; L124-I128 WeakPolarHBondContact O-CG1 3.39Å; L124-I128 PolarHBondContact O-N 3.46Å; L124-I128 VanDerWaalsContact O-N 3.14Å; L124-N282 VanDerWaalsContact CD2-O 3.28Å; L124-N282 WeakPolarHBondContact CD2-O 3.41Å; L124-F284 HydrophobicContact CD2-CD2 4.15Å; L124-F284 HydrophobicContact CG-CD2 4.45Å
125S94.9Very high90.3Very high0 Ų033 Ų330%016%0.156CC..Hα-helixtrans-51.8-46.6174.5-177.40000112N121 A122 Q123 R127 I128 S166 V167 R170 F284N121-S125 PolarHBondContact O-N 2.93Å; N121-S125 VanDerWaalsContact O-N 3.1Å; A122-S125 VanDerWaalsContact O-CB 3.27Å; A122-S125 WeakPolarHBondContact O-CB 3.01Å; A122-S125 PolarHBondContact O-N 3.2Å; Q123-S125 VanDerWaalsContact C-N 3.3Å; S125-R127 PolarHBondContact O-N 2.86Å; S125-I128 PolarHBondContact O-N 2.78Å; S125-S166 WeakPolarHBondContact CB-OG 3.21Å; S125-S166 PolarHBondContact OG-OG 3.44Å; S125-V167 WeakPolarHBondContact OG-CG2 2.88Å; S125-R170 PolarHBondContact O-NH2 3.18Å; S125-R170 PolarHBondContact OG-NH2 3.09Å; S125-F284 VanDerWaalsContact CB-CZ 3.47Å
126D93.5Very high91.7Very high32 Ų3232 Ų3217%0.17116%0.155CC..Hα-helixtrans-59.3-22.7-179.7-61.7-19000113L88 K114 A122 Q123 L124 S166L88-D126 HydrophobicContact CD2-CB 4.01Å; K114-D126 IonicContact NZ-OD2 3.23Å; K114-D126 PolarHBondContact NZ-OD2 3.31Å; A122-D126 PolarHBondContact O-N 2.81Å; Q123-D126 PolarHBondContact O-N 3.45Å; L124-D126 VanDerWaalsContact C-N 3.28Å; L124-D126 PolarHBondContact O-N 2.69Å; D126-S166 WeakPolarHBondContact OD1-CB 3.27Å; D126-S166 PolarHBondContact OD1-OG 3.03Å
127R93.3Very high93Very high149 Ų14929 Ų2956%0.56214%0.138SC*.Hα-helixtrans-98.3-10.6178.5-54.8-55.8-170.6170.32.4114.6L95 L104 L124 S125L95-R127 HydrophobicContact CD1-CB 3.99Å; L104-R127 HydrophobicContact CD2-CB 4.15Å; L104-R127 HydrophobicContact CD2-CG 3.83Å; L124-R127 PolarHBondContact O-N 3.32Å; S125-R127 PolarHBondContact O-N 2.86Å
128I95.1Very high93.7Very high1 Ų125.6 Ų25.61%0.00512%0.121CC..BIsolated β-bridgetrans-86.5136.2173.2-65.1173.4000107.6L95 A102 L124 S125 L130 R132 R170 F284L95-I128 HydrophobicContact CB-CG1 4.12Å; L95-I128 WeakPolarHBondContact O-CG2 3.45Å; A102-I128 HydrophobicContact CB-CD1 4.35Å; L124-I128 HydrophobicContact CD1-CD1 4.35Å; L124-I128 HydrophobicContact CD1-CG1 4.36Å; L124-I128 HydrophobicContact CD2-CD1 4.41Å; L124-I128 HydrophobicContact CG-CD1 3.9Å; L124-I128 HydrophobicContact CG-CG1 4.35Å; L124-I128 WeakPolarHBondContact O-CG1 3.39Å; L124-I128 PolarHBondContact O-N 3.46Å; L124-I128 VanDerWaalsContact O-N 3.14Å; S125-I128 PolarHBondContact O-N 2.78Å; I128-L130 PolarHBondContact O-N 3.12Å; I128-R132 HydrophobicContact CG2-CB 4.33Å; I128-R132 VanDerWaalsContact CG2-CD 3.47Å; I128-R132 HydrophobicContact CG2-CG 4.02Å; I128-R170 PolarHBondContact O-NH1 3.38Å; I128-F284 HydrophobicContact CD1-CB 3.34Å; I128-F284 HydrophobicContact CD1-CD1 4.07Å; I128-F284 HydrophobicContact CD1-CD2 4.3Å; I128-F284 HydrophobicContact CD1-CG 3.65Å
129S95.7Very high94.1Very high0 Ų025.4 Ų25.40%012%0.122CC..  trans-60.8137.4-179.1-179.80000113.4V89 G91 D131 R132 R170V89-S129 CarbonylContact O-C 3.6Å; V89-S129 WeakPolarHBondContact O-CA 3.34Å; G91-S129 PolarHBondContact N-OG 2.76Å; G91-S129 WeakPolarHBondContact O-CB 3.17Å; G91-S129 PolarHBondContact O-OG 3.21Å; S129-D131 PolarHBondContact O-N 2.8Å; S129-D131 PolarHBondContact OG-N 3.02Å; S129-D131 VanDerWaalsContact OG-N 3.09Å; S129-R132 PolarHBondContact O-N 3.33Å; S129-R170 PolarHBondContact O-NH1 3.35Å
130L96.1Very high94.4Very high3 Ų333.8 Ų33.82%0.01616%0.158CC..THydrogen-bonded Turntrans-58.3-25170.9-59.6-178000112.4A83 L88 V89 E90 I128 S166 L169 R170 H173A83-L130 HydrophobicContact CB-CD1 3.99Å; L88-L130 HydrophobicContact CD1-CD1 4.46Å; V89-L130 WeakPolarHBondContact O-CG 3.44Å; V89-L130 PolarHBondContact O-N 3.13Å; E90-L130 HydrophobicContact CG-CD1 4.08Å; I128-L130 PolarHBondContact O-N 3.12Å; L130-S166 VanDerWaalsContact CD2-O 3.27Å; L130-S166 WeakPolarHBondContact CD2-O 3.27Å; L130-L169 HydrophobicContact CD1-CB 3.94Å; L130-L169 HydrophobicContact CD1-CD1 4.24Å; L130-L169 HydrophobicContact CD2-CB 3.9Å; L130-R170 HydrophobicContact CD2-CB 4.17Å; L130-H173 VanDerWaalsContact O-CB 3.26Å; L130-H173 WeakPolarHBondContact O-CB 3.46Å
131D94.9Very high94.5Very high28 Ų2839.7 Ų39.715%0.1518%0.184CC..THydrogen-bonded Turntrans-106.621.1-179.2-56.8-70.3000113.1G91 S129 H173 N177G91-D131 PolarHBondContact N-OD2 3.08Å; S129-D131 PolarHBondContact O-N 2.8Å; S129-D131 PolarHBondContact OG-N 3.02Å; S129-D131 VanDerWaalsContact OG-N 3.09Å; D131-H173 IonicContact OD1-CE1 2.83Å; D131-H173 IonicContact OD1-CG 2.68Å; D131-H173 IonicContact OD1-ND1 3.97Å; D131-H173 PolarHBondContact OD1-ND1 2.82Å; D131-H173 IonicContact OD2-ND1 3.38Å; D131-N177 PolarHBondContact OD1-ND2 2.82Å; D131-N177 VanDerWaalsContact OD1-ND2 3.1Å
132R95.4Very high94.7Very high9 Ų938.5 Ų38.53%0.03418%0.178CC..  trans-58.5146.6177.869154.5175.2-1754.2111.2G96 I128 S129 E251 F284G96-R132 VanDerWaalsContact O-CD 3.3Å; G96-R132 WeakPolarHBondContact O-CD 3.45Å; G96-R132 PolarHBondContact O-NH1 3.05Å; I128-R132 HydrophobicContact CG2-CB 4.33Å; I128-R132 VanDerWaalsContact CG2-CD 3.47Å; I128-R132 HydrophobicContact CG2-CG 4.02Å; S129-R132 PolarHBondContact O-N 3.33Å; R132-E251 IonicContact CZ-OE1 3.2Å; R132-E251 VanDerWaalsContact CZ-OE1 3.31Å; R132-E251 IonicContact CZ-OE2 2.66Å; R132-E251 IonicContact NE-OE1 3.76Å; R132-E251 PolarHBondContact NE-OE1 3.02Å; R132-E251 IonicContact NE-OE2 2.76Å; R132-E251 PolarHBondContact NE-OE2 3.43Å; R132-E251 IonicContact NH2-OE1 3.45Å; R132-E251 PolarHBondContact NH2-OE1 3.18Å; R132-E251 IonicContact NH2-OE2 2.77Å; R132-F284 PolarHBondContact NH1-O 3.28Å; R132-F284 PolarHBondContact NH2-O 3.25Å; R132-F284 VanDerWaalsContact NH2-O 3.13Å
133S95.6Very high94.8Very high46 Ų4643 Ų4332%0.32220%0.197SC..  trans-82.6153.2168.462.40000111.3Q97 G98 G99Q97-S133 VanDerWaalsContact CD-OG 3.28Å; Q97-S133 PolarHBondContact NE2-OG 3.01Å; G98-S133 CarbonylContact C-O 3.46Å; G98-S133 VanDerWaalsContact CA-O 3.22Å; G98-S133 WeakPolarHBondContact CA-O 3.47Å; G98-S133 WeakPolarHBondContact CA-OG 3.12Å; G98-S133 PolarHBondContact N-O 3.1Å; G98-S133 PolarHBondContact N-OG 3.41Å; G99-S133 PolarHBondContact N-O 2.93Å
134I96.6Very high95.1Very high19 Ų1948.9 Ų48.910%0.09722%0.224CC..  trans-122155.3173.164.2169.7000110.3E251 N253 V286 A378I134-E251 HydrophobicContact CD1-CB 4.14Å; I134-E251 HydrophobicContact CG2-CB 4.34Å; I134-E251 VanDerWaalsContact CG2-OE2 3.27Å; I134-E251 WeakPolarHBondContact CG2-OE2 3.37Å; I134-N253 HydrophobicContact CD1-CB 4.19Å; I134-V286 HydrophobicContact CB-CG2 4.26Å; I134-V286 HydrophobicContact CG2-CG2 3.9Å; I134-A378 HydrophobicContact CD1-CB 4.37Å
135P96.3Very high95.2Very high29 Ų2952.5 Ų52.519%0.18824%0.244CC..  trans-67.2139.9-17927-34.8000111.8G98 Y137 N253 V286G98-P135 WeakPolarHBondContact O-CD 3.41Å; P135-Y137 HydrophobicContact CB-CD1 4.43Å; P135-Y137 HydrophobicContact CB-CD2 4.42Å; P135-Y137 HydrophobicContact CB-CE1 3.99Å; P135-Y137 HydrophobicContact CB-CE2 4.01Å; P135-Y137 HydrophobicContact CG-CD2 3.97Å; P135-Y137 HydrophobicContact CG-CE1 4.14Å; P135-Y137 HydrophobicContact CG-CE2 3.3Å; P135-Y137 PolarHBondContact O-N 3.29Å; P135-N253 PolarHBondContact O-ND2 3.44Å; P135-V286 HydrophobicContact CG-CB 4.05Å; P135-V286 HydrophobicContact CG-CG1 4.14Å
136D96.1Very high95.1Very high46 Ų4658.9 Ų58.925%0.24628%0.283CS..  trans-8589174.8178.96.2000110.9R138 K143 T254D136-R138 VanDerWaalsContact C-N 3.27Å; D136-R138 PolarHBondContact O-N 3.16Å; D136-R138 VanDerWaalsContact OD1-CB 3.25Å; D136-R138 WeakPolarHBondContact OD1-CB 3.45Å; D136-R138 VanDerWaalsContact OD1-CG 3.29Å; D136-R138 WeakPolarHBondContact OD1-CG 3.29Å; D136-R138 IonicContact OD1-CZ 3.5Å; D136-R138 PolarHBondContact OD1-N 3.11Å; D136-R138 VanDerWaalsContact OD1-N 3.1Å; D136-R138 IonicContact OD1-NE 2.7Å; D136-R138 PolarHBondContact OD1-NE 3.23Å; D136-R138 IonicContact OD1-NH2 3.69Å; D136-R138 IonicContact OD2-CZ 3.19Å; D136-R138 IonicContact OD2-NE 3.87Å; D136-R138 PolarHBondContact OD2-NE 2.82Å; D136-R138 IonicContact OD2-NH2 2.8Å; D136-R138 PolarHBondContact OD2-NH2 3.15Å; D136-K143 VanDerWaalsContact CG-CE 3.47Å; D136-K143 PolarHBondContact O-NZ 2.89Å; D136-K143 IonicContact OD1-NZ 3.55Å; D136-K143 WeakPolarHBondContact OD2-CD 3.42Å; D136-K143 WeakPolarHBondContact OD2-CE 3.19Å; D136-K143 IonicContact OD2-NZ 2.89Å; D136-K143 PolarHBondContact OD2-NZ 3.21Å; D136-T254 HydrophobicContact CB-CG2 4.41Å
137Y95.9Very high95.2Very high66 Ų6660 Ų6026%0.25929%0.285SS..  trans-82.49.3177.7-67.3-48.7000114.6P135 V286 Q288P135-Y137 HydrophobicContact CB-CD1 4.43Å; P135-Y137 HydrophobicContact CB-CD2 4.42Å; P135-Y137 HydrophobicContact CB-CE1 3.99Å; P135-Y137 HydrophobicContact CB-CE2 4.01Å; P135-Y137 HydrophobicContact CG-CD2 3.97Å; P135-Y137 HydrophobicContact CG-CE1 4.14Å; P135-Y137 HydrophobicContact CG-CE2 3.3Å; P135-Y137 PolarHBondContact O-N 3.29Å; Y137-V286 HydrophobicContact CE2-CG1 4.1Å; Y137-V286 PolarHBondContact OH-O 2.91Å; Y137-Q288 HydrophobicContact CD1-CB 3.82Å; Y137-Q288 HydrophobicContact CD1-CG 4.2Å; Y137-Q288 HydrophobicContact CD2-CB 3.69Å; Y137-Q288 HydrophobicContact CD2-CG 4.22Å; Y137-Q288 HydrophobicContact CE1-CB 4.01Å; Y137-Q288 HydrophobicContact CE2-CB 3.85Å; Y137-Q288 HydrophobicContact CG-CB 3.67Å; Y137-Q288 HydrophobicContact CG-CG 3.87Å; Y137-Q288 PolarHBondContact O-NE2 3.49Å
138R95.9Very high95.3Very high32 Ų3256 Ų5612%0.12128%0.279CS..SBendtrans-61.9143.4175-64.7174.2-59.7165.65110.6D136 C142 K143 T254 C374 R376D136-R138 VanDerWaalsContact C-N 3.27Å; D136-R138 PolarHBondContact O-N 3.16Å; D136-R138 VanDerWaalsContact OD1-CB 3.25Å; D136-R138 WeakPolarHBondContact OD1-CB 3.45Å; D136-R138 VanDerWaalsContact OD1-CG 3.29Å; D136-R138 WeakPolarHBondContact OD1-CG 3.29Å; D136-R138 IonicContact OD1-CZ 3.5Å; D136-R138 PolarHBondContact OD1-N 3.11Å; D136-R138 VanDerWaalsContact OD1-N 3.1Å; D136-R138 IonicContact OD1-NE 2.7Å; D136-R138 PolarHBondContact OD1-NE 3.23Å; D136-R138 IonicContact OD1-NH2 3.69Å; D136-R138 IonicContact OD2-CZ 3.19Å; D136-R138 IonicContact OD2-NE 3.87Å; D136-R138 PolarHBondContact OD2-NE 2.82Å; D136-R138 IonicContact OD2-NH2 2.8Å; D136-R138 PolarHBondContact OD2-NH2 3.15Å; R138-C142 HydrophobicContact CB-CB 4.12Å; R138-K143 HydrophobicContact CB-CG 4.46Å; R138-K143 WeakPolarHBondContact O-CE 3.39Å; R138-T254 PolarHBondContact NE-O 3.44Å; R138-T254 PolarHBondContact NH1-O 3Å; R138-C374 WeakPolarHBondContact CD-O 3.16Å; R138-R376 HydrophobicContact CG-CG 3.93Å
139P94.7Very high95.1Very high12 Ų1263.2 Ų63.28%0.07831%0.312CS..  trans-49.3143.4170.7-27.533.2000111.8K141 C142 E317 P373P139-K141 PolarHBondContact O-N 3.09Å; P139-K141 VanDerWaalsContact O-N 3.1Å; P139-C142 VanDerWaalsContact O-CB 3.27Å; P139-C142 WeakPolarHBondContact O-CB 3.29Å; P139-C142 PolarHBondContact O-N 3.47Å; P139-E317 HydrophobicContact CB-CB 3.97Å; P139-E317 HydrophobicContact CG-CB 4.05Å; P139-P373 HydrophobicContact CG-CB 4.22Å
140K94.5Very high95.1Very high175 Ų17569 Ų6976%0.76134%0.343SS*.THydrogen-bonded Turntrans-55-37.2-175-69.2-177.7-178.9176.40112.9K143K140-K143 PolarHBondContact O-N 2.88Å
141K95Very high95.2Very high124 Ų12469.6 Ų69.654%0.53935%0.346SS..THydrogen-bonded Turntrans-65.9-36.3177-70.6-177.5179.3176.60112.5P139 K143 Q144 L145 T318P139-K141 PolarHBondContact O-N 3.09Å; P139-K141 VanDerWaalsContact O-N 3.1Å; K141-K143 PolarHBondContact O-N 2.86Å; K141-Q144 PolarHBondContact O-N 3.07Å; K141-L145 PolarHBondContact O-N 2.8Å; K141-T318 HydrophobicContact CB-CG2 3.33Å; K141-T318 HydrophobicContact CD-CG2 4.33Å; K141-T318 HydrophobicContact CG-CG2 4.48Å
142C96.2Very high95.3Very high2 Ų269.9 Ų69.91%0.01435%0.349CS..G310 helixtrans-59.4-34.4177-660000112.4R138 P139 Q144 L145 C374R138-C142 HydrophobicContact CB-CB 4.12Å; P139-C142 VanDerWaalsContact O-CB 3.27Å; P139-C142 WeakPolarHBondContact O-CB 3.29Å; P139-C142 PolarHBondContact O-N 3.47Å; C142-Q144 PolarHBondContact O-N 2.9Å; C142-L145 PolarHBondContact O-N 3.03Å; C142-C374 HydrophobicContact CB-CB 3.59Å; C142-C374 WeakPolarHBondContact CB-SG 3.29Å; C142-C374 WeakPolarHBondContact SG-CA 3.42Å; C142-C374 WeakPolarHBondContact SG-CB 3.35Å; C142-C374 CovalentContact SG-SG 2.03Å; C142-C374 PolarHBondContact SG-SG 3.04Å
143K94.4Very high95.5Very high96 Ų9672.8 Ų72.842%0.41736%0.363SS..G310 helixtrans-69.7-15.1179.7-51.1-172.1-174-1550113.5D136 R138 K140 K141D136-K143 VanDerWaalsContact CG-CE 3.47Å; D136-K143 PolarHBondContact O-NZ 2.89Å; D136-K143 IonicContact OD1-NZ 3.55Å; D136-K143 WeakPolarHBondContact OD2-CD 3.42Å; D136-K143 WeakPolarHBondContact OD2-CE 3.19Å; D136-K143 IonicContact OD2-NZ 2.89Å; D136-K143 PolarHBondContact OD2-NZ 3.21Å; R138-K143 HydrophobicContact CB-CG 4.46Å; R138-K143 WeakPolarHBondContact O-CE 3.39Å; K140-K143 PolarHBondContact O-N 2.88Å; K141-K143 PolarHBondContact O-N 2.86Å
144Q94.1Very high95.6Very high157 Ų15770.6 Ų70.673%0.73435%0.348SS*.G310 helixtrans-102.3-6.8-179.6-60174.53.200112.1K141 C142K141-Q144 PolarHBondContact O-N 3.07Å; C142-Q144 PolarHBondContact O-N 2.9Å
145L94Very high95.7Very high77 Ų7769.7 Ų69.740%0.40334%0.343SS..  trans-72.2144177.7-65.2178.2000110.4K141 C142 Y147 T318K141-L145 PolarHBondContact O-N 2.8Å; C142-L145 PolarHBondContact O-N 3.03Å; L145-Y147 HydrophobicContact CB-CE2 4.26Å; L145-T318 HydrophobicContact CD1-CG2 4.36Å
146T94.8Very high95.8Very high134 Ų13468.3 Ų68.382%0.82233%0.334SS*.  trans-113.9138.3172.255.20000108.7
147Y95.3Very high96Very high54 Ų5466.1 Ų66.121%0.21232%0.323CS..  trans-111.2157.1179.7-56.3-79.3000110.2L145 E258 P259 T262L145-Y147 HydrophobicContact CB-CE2 4.26Å; Y147-E258 HydrophobicContact CD1-CB 4.44Å; Y147-E258 HydrophobicContact CD2-CB 3.51Å; Y147-E258 HydrophobicContact CD2-CG 4.44Å; Y147-E258 HydrophobicContact CE2-CB 4.17Å; Y147-E258 HydrophobicContact CG-CB 3.67Å; Y147-P259 VanDerWaalsContact CE1-CA 3.5Å; Y147-P259 HydrophobicContact CE1-CB 3.73Å; Y147-P259 HydrophobicContact CE1-CG 4.5Å; Y147-T262 WeakPolarHBondContact CD1-OG1 3.27Å
148P94.4Very high96.1Very high67 Ų6763 Ų6344%0.43531%0.31SS..  trans-59145.8171.4-2133.3000111.3L151P148-L151 HydrophobicContact CB-CD2 4.42Å; P148-L151 VanDerWaalsContact O-CD1 3.27Å; P148-L151 WeakPolarHBondContact O-CD1 3.43Å; P148-L151 VanDerWaalsContact O-CG 3.24Å; P148-L151 WeakPolarHBondContact O-CG 3.47Å
149E91.8Very high96.1Very high152 Ų15262 Ų6271%0.7131%0.308SS*.SBendtrans-76.7-31.5173.4-64.4-68.1154.100111.9L151E149-L151 PolarHBondContact O-N 3.19Å
150D95.1Very high96.1Very high122 Ų12261.7 Ų61.765%0.65231%0.305SS*.  trans-80.683176.2175.342.8000109.7K265D150-K265 PolarHBondContact O-NZ 2.79Å; D150-K265 IonicContact OD2-NZ 2.65Å; D150-K265 PolarHBondContact OD2-NZ 2.69Å
151L97.8Very high96Very high15 Ų1553.8 Ų53.88%0.07927%0.271CS..  trans-117.4148.9175.7-67.7173.3000110.7P148 E149 L183 E258 L261 K265P148-L151 HydrophobicContact CB-CD2 4.42Å; P148-L151 VanDerWaalsContact O-CD1 3.27Å; P148-L151 WeakPolarHBondContact O-CD1 3.43Å; P148-L151 VanDerWaalsContact O-CG 3.24Å; P148-L151 WeakPolarHBondContact O-CG 3.47Å; E149-L151 PolarHBondContact O-N 3.19Å; L151-L183 HydrophobicContact CB-CD2 3.67Å; L151-L183 HydrophobicContact CD1-CD1 4.42Å; L151-E258 HydrophobicContact CD1-CB 4.18Å; L151-E258 HydrophobicContact CD1-CG 4.47Å; L151-L261 HydrophobicContact CB-CB 4.16Å; L151-L261 HydrophobicContact CD1-CB 4.22Å; L151-L261 HydrophobicContact CD2-CB 4.32Å; L151-L261 HydrophobicContact CG-CB 4.47Å; L151-K265 HydrophobicContact CD2-CD 4.41Å
152P97.8Very high96Very high33 Ų3350.4 Ų50.421%0.21426%0.259CS..  trans-62.9146.6176.727.3-34.3000110.6P241 V242 L261P152-P241 HydrophobicContact CB-CB 4.42Å; P152-V242 HydrophobicContact CB-CG2 4.11Å; P152-V242 HydrophobicContact CG-CG2 3.94Å; P152-L261 HydrophobicContact CG-CB 4.41Å; P152-L261 HydrophobicContact CG-CD2 4.25Å; P152-L261 WeakPolarHBondContact O-CD1 3.42Å
153Q98.4Very high95.9Very high70 Ų7050.3 Ų50.333%0.32726%0.259SS..  trans-70.3157.1174.5-55.9-165.9-6500110.9H182 L183 K185 S240 V242Q153-H182 PolarHBondContact NE2-O 3.08Å; Q153-L183 CarbonylContact C-O 3.43Å; Q153-L183 WeakPolarHBondContact CA-O 3.44Å; Q153-L183 WeakPolarHBondContact CB-O 3.31Å; Q153-K185 HydrophobicContact CB-CB 4.06Å; Q153-S240 VanDerWaalsContact CB-OG 3.29Å; Q153-S240 WeakPolarHBondContact CB-OG 3.37Å; Q153-S240 PolarHBondContact O-OG 3.45Å; Q153-V242 PolarHBondContact O-N 3.02Å
154I98.7Very high95.9Very high0 Ų045.9 Ų45.90%024%0.24CC..EExtended strand (participates in β ladder)trans-121.3135.8178-174163.9000112.4V156 L183 L184 K185 S240 V242 W256 L261 V332I154-V156 HydrophobicContact CD1-CG2 4.4Å; I154-V156 HydrophobicContact CG1-CG2 4.19Å; I154-L183 PolarHBondContact N-O 3Å; I154-L184 HydrophobicContact CG2-CD1 4.48Å; I154-K185 WeakPolarHBondContact O-CB 3.32Å; I154-K185 PolarHBondContact O-N 2.65Å; I154-S240 PolarHBondContact N-OG 2.95Å; I154-V242 WeakPolarHBondContact CA-O 3.41Å; I154-V242 HydrophobicContact CB-CB 4.44Å; I154-V242 HydrophobicContact CB-CG1 4.38Å; I154-V242 HydrophobicContact CD1-CG1 4Å; I154-V242 HydrophobicContact CG1-CB 4.47Å; I154-V242 HydrophobicContact CG1-CG1 4Å; I154-W256 HydrophobicContact CD1-CH2 3.94Å; I154-L261 HydrophobicContact CB-CD2 4.2Å; I154-V332 HydrophobicContact CD1-CG1 3.78Å
155S98.9Very high96Very high0 Ų038.9 Ų38.90%021%0.207CC..EExtended strand (participates in β ladder)trans-94.6126161.6-59.60000108.6E186 S240 V242 V243 G244S155-E186 WeakPolarHBondContact CA-O 3.31Å; S155-E186 VanDerWaalsContact OG-CG 3.31Å; S155-E186 WeakPolarHBondContact OG-CG 3.18Å; S155-E186 PolarHBondContact OG-OE1 3.17Å; S155-S240 WeakPolarHBondContact OG-CB 3.24Å; S155-S240 PolarHBondContact OG-N 2.82Å; S155-V242 PolarHBondContact N-O 2.88Å; S155-V243 WeakPolarHBondContact O-CA 3.42Å; S155-G244 PolarHBondContact O-N 2.77Å
156V98.8Very high96.1Very high0 Ų035.2 Ų35.20%019%0.188CC..EExtended strand (participates in β ladder)trans-102.1123.5177.8177.70000109.6I154 F158 V175 L184 E186 I187 I188 G244 F246 F252 W256I154-V156 HydrophobicContact CD1-CG2 4.4Å; I154-V156 HydrophobicContact CG1-CG2 4.19Å; V156-F158 HydrophobicContact CG1-CD2 4.41Å; V156-F158 HydrophobicContact CG1-CE1 4.12Å; V156-F158 HydrophobicContact CG1-CE2 3.82Å; V156-F158 HydrophobicContact CG1-CZ 3.64Å; V156-V175 HydrophobicContact CB-CG2 4.46Å; V156-V175 HydrophobicContact CG1-CG2 4.25Å; V156-V175 HydrophobicContact CG2-CG2 3.98Å; V156-L184 HydrophobicContact CG2-CD1 3.91Å; V156-E186 PolarHBondContact N-O 2.79Å; V156-I187 CarbonylContact O-C 3.58Å; V156-I187 VanDerWaalsContact O-CA 3.29Å; V156-I187 WeakPolarHBondContact O-CA 3.16Å; V156-I188 PolarHBondContact O-N 2.66Å; V156-G244 CarbonylContact C-O 3.51Å; V156-G244 WeakPolarHBondContact CA-O 3.38Å; V156-F246 HydrophobicContact CG1-CD2 3.79Å; V156-F246 HydrophobicContact CG1-CE2 4.19Å; V156-F252 HydrophobicContact CG1-CZ 4.44Å; V156-W256 HydrophobicContact CG2-CH2 4.34Å; V156-W256 HydrophobicContact CG2-CZ2 4.42Å
157V98.8Very high96.2Very high0 Ų029 Ų290%015%0.15CC..EExtended strand (participates in β ladder)trans-110.1118.9-177.2-1780000109.3I159 I188 V190 V243 G244 F245 F246V157-I159 HydrophobicContact CG1-CD1 4Å; V157-I159 HydrophobicContact CG1-CG1 4.41Å; V157-I188 CarbonylContact C-O 3.59Å; V157-I188 WeakPolarHBondContact CA-O 3.31Å; V157-I188 HydrophobicContact CG2-CB 4.24Å; V157-I188 HydrophobicContact CG2-CD1 4.27Å; V157-V190 HydrophobicContact CG1-CG2 3.87Å; V157-V243 HydrophobicContact CG2-CG1 3.64Å; V157-G244 PolarHBondContact N-O 2.87Å; V157-F245 HydrophobicContact CB-CD1 3.8Å; V157-F245 HydrophobicContact CB-CE1 4.08Å; V157-F245 HydrophobicContact CG1-CD1 3.93Å; V157-F245 HydrophobicContact CG1-CE1 4.12Å; V157-F245 HydrophobicContact CG2-CD1 4.27Å; V157-F245 HydrophobicContact CG2-CE1 4.07Å; V157-F246 PolarHBondContact O-N 2.63Å
158F98.6Very high96.3Very high0 Ų026.4 Ų26.40%014%0.14CC..EExtended strand (participates in β ladder)trans-104.5125.5168.7-61.3-65.3000109.7V156 V172 V175 I187 I188 L189 V190 F246 D247 A248 V250 F252V156-F158 HydrophobicContact CG1-CD2 4.41Å; V156-F158 HydrophobicContact CG1-CE1 4.12Å; V156-F158 HydrophobicContact CG1-CE2 3.82Å; V156-F158 HydrophobicContact CG1-CZ 3.64Å; F158-V172 HydrophobicContact CD2-CG2 4.42Å; F158-V172 HydrophobicContact CE2-CG2 4.36Å; F158-V175 HydrophobicContact CE2-CG1 3.96Å; F158-V175 HydrophobicContact CZ-CB 4.33Å; F158-V175 HydrophobicContact CZ-CG1 4.02Å; F158-I187 HydrophobicContact CD2-CG2 3.75Å; F158-I187 HydrophobicContact CE2-CG2 3.76Å; F158-I188 PolarHBondContact N-O 2.89Å; F158-L189 HydrophobicContact CB-CD2 3.85Å; F158-L189 HydrophobicContact CD2-CD2 3.62Å; F158-L189 HydrophobicContact CG-CD2 4.2Å; F158-V190 PolarHBondContact O-N 2.66Å; F158-F246 WeakPolarHBondContact CA-O 3.31Å; F158-F246 HydrophobicContact CD1-CB 3.7Å; F158-F246 HydrophobicContact CE1-CB 3.58Å; F158-F246 HydrophobicContact CE1-CG 4.3Å; F158-D247 WeakPolarHBondContact CD1-O 3.34Å; F158-A248 HydrophobicContact CB-CB 4.32Å; F158-V250 HydrophobicContact CE1-CG2 3.75Å; F158-F252 AromaticContact CE1-CE2 3.79Å; F158-F252 HydrophobicContact CE1-CE2 3.79Å; F158-F252 HydrophobicContact CE1-CZ 4.06Å; F158-F252 AromaticContact CZ-CE2 3.61Å; F158-F252 HydrophobicContact CZ-CE2 3.61Å; F158-F252 HydrophobicContact CZ-CZ 4.05Å
159I95.5Very high96.5Very high13 Ų1323.2 Ų23.27%0.06712%0.119CC..EExtended strand (participates in β ladder)trans-101.6133.5171.9-58.393.7000108.4V157 V190 L227 A230 R231 F245V157-I159 HydrophobicContact CG1-CD1 4Å; V157-I159 HydrophobicContact CG1-CG1 4.41Å; I159-V190 HydrophobicContact CG1-CB 4.25Å; I159-L227 HydrophobicContact CB-CD1 4.29Å; I159-L227 HydrophobicContact CG2-CD1 4.18Å; I159-A230 HydrophobicContact CG1-CB 4.27Å; I159-A230 HydrophobicContact CG2-CB 3.5Å; I159-A230 VanDerWaalsContact CG2-CB 3.5Å; I159-R231 HydrophobicContact CD1-CB 4.24Å; I159-R231 HydrophobicContact CD1-CG 3.58Å; I159-R231 HydrophobicContact CG1-CG 4.16Å; I159-F245 HydrophobicContact CD1-CD1 4.28Å
160F95.4Very high96.8Very high5 Ų516.2 Ų16.22%0.0229%0.086CC..EExtended strand (participates in β ladder)trans-144.9159.2178.470.7-81.9000112.5E163 I168 L189 V190 D191 D192 L200 L204 A248F160-E163 HydrophobicContact CB-CB 3.92Å; F160-E163 HydrophobicContact CD2-CB 4.44Å; F160-I168 HydrophobicContact CB-CD1 4.38Å; F160-I168 HydrophobicContact CD1-CD1 4.48Å; F160-I168 HydrophobicContact CD2-CD1 3.62Å; F160-I168 HydrophobicContact CE2-CD1 3.93Å; F160-I168 HydrophobicContact CG-CD1 3.91Å; F160-I168 HydrophobicContact CZ-CD1 4.48Å; F160-L189 HydrophobicContact CE1-CB 3.93Å; F160-V190 VanDerWaalsContact CD1-O 3.32Å; F160-V190 WeakPolarHBondContact CD1-O 2.98Å; F160-V190 PolarHBondContact N-O 2.98Å; F160-D191 HydrophobicContact CE1-CB 3.95Å; F160-D191 HydrophobicContact CE2-CB 3.96Å; F160-D191 HydrophobicContact CZ-CB 3.5Å; F160-D192 PolarHBondContact O-N 3.28Å; F160-L200 HydrophobicContact CD2-CD1 4.43Å; F160-L200 HydrophobicContact CE2-CB 4.36Å; F160-L200 HydrophobicContact CE2-CD1 4.34Å; F160-L200 HydrophobicContact CE2-CD2 4.26Å; F160-L204 HydrophobicContact CE1-CD2 4.36Å; F160-L204 HydrophobicContact CE2-CD2 4.23Å; F160-L204 HydrophobicContact CZ-CD2 3.66Å; F160-A248 HydrophobicContact CB-CB 3.61Å
161V93.4Very high96.9Very high9 Ų910.4 Ų10.46%0.0556%0.055CC..SBendtrans-157.3126.216858.20000109.7E163 D192 S194 R224 Y387V161-E163 PolarHBondContact O-N 3.4Å; V161-E163 VanDerWaalsContact O-N 3.13Å; V161-D192 HydrophobicContact CB-CB 4.24Å; V161-D192 WeakPolarHBondContact CG2-O 3.3Å; V161-S194 WeakPolarHBondContact CA-OG 3.25Å; V161-R224 VanDerWaalsContact CG2-CZ 3.41Å; V161-Y387 HydrophobicContact CG1-CD1 3.63Å; V161-Y387 HydrophobicContact CG1-CE1 3.97Å; V161-Y387 HydrophobicContact CG1-CG 4.48Å
162N93.3Very high97Very high52 Ų529.7 Ų9.728%0.2785%0.052SC..SBendtrans46.942.9-175.8-62.1-15.6000111.7Y118 S194 D195Y118-N162 VanDerWaalsContact CE1-O 3.22Å; Y118-N162 WeakPolarHBondContact CE1-O 3.38Å; N162-S194 PolarHBondContact N-OG 2.9Å; N162-S194 WeakPolarHBondContact OD1-CA 3.31Å; N162-S194 WeakPolarHBondContact OD1-CB 3.44Å; N162-D195 PolarHBondContact ND2-OD2 3.43Å; N162-D195 PolarHBondContact OD1-N 2.82Å
163E94.9Very high97Very high1 Ų18.1 Ų8.11%0.0054%0.042CC..  trans-90.3147.6179.5-171.672.2-82.500110.2Y120 F160 V161 L165 I168 L200 A248 H249 R382Y120-E163 PolarHBondContact OH-OE1 2.84Å; F160-E163 HydrophobicContact CB-CB 3.92Å; F160-E163 HydrophobicContact CD2-CB 4.44Å; V161-E163 PolarHBondContact O-N 3.4Å; V161-E163 VanDerWaalsContact O-N 3.13Å; E163-L165 PolarHBondContact O-N 2.82Å; E163-I168 HydrophobicContact CB-CD1 3.9Å; E163-I168 HydrophobicContact CB-CG1 3.84Å; E163-I168 HydrophobicContact CG-CD1 4.29Å; E163-I168 HydrophobicContact CG-CG1 3.65Å; E163-L200 WeakPolarHBondContact O-CD2 3.19Å; E163-A248 HydrophobicContact CG-CB 4.22Å; E163-H249 IonicContact OE2-CE1 3.71Å; E163-H249 PolarHBondContact OE2-CE1 3.13Å; E163-H249 IonicContact OE2-CG 2.78Å; E163-H249 IonicContact OE2-ND1 3.76Å; E163-H249 PolarHBondContact OE2-ND1 2.79Å; E163-R382 IonicContact OE1-CZ 3.88Å; E163-R382 IonicContact OE1-NH1 3.38Å; E163-R382 IonicContact OE1-NH2 2.66Å; E163-R382 PolarHBondContact OE1-NH2 3.08Å; E163-R382 IonicContact OE2-CZ 3.11Å; E163-R382 IonicContact OE2-NH2 3.31Å; E163-R382 PolarHBondContact OE2-NH2 3.12Å
164A94.8Very high97Very high3 Ų35.2 Ų5.23%0.0253%0.029CC..  trans-64.1130.9179.100000110.8Y118 Y120 A122 S166 V167 I168Y118-A164 HydrophobicContact CD1-CB 4.03Å; Y118-A164 HydrophobicContact CE1-CB 3.91Å; Y118-A164 VanDerWaalsContact CE1-N 3.33Å; Y118-A164 HydrophobicContact CG-CB 4.45Å; Y120-A164 HydrophobicContact CE2-CB 4.15Å; Y120-A164 VanDerWaalsContact OH-CB 3.3Å; Y120-A164 WeakPolarHBondContact OH-CB 3.02Å; Y120-A164 PolarHBondContact OH-N 3.17Å; A122-A164 HydrophobicContact CB-CB 3.98Å; A164-S166 VanDerWaalsContact C-N 3.31Å; A164-S166 PolarHBondContact O-N 2.86Å; A164-V167 HydrophobicContact CB-CB 4.3Å; A164-V167 HydrophobicContact CB-CG2 4.03Å; A164-V167 WeakPolarHBondContact O-CB 3.38Å; A164-V167 PolarHBondContact O-N 2.83Å; A164-I168 PolarHBondContact O-N 3.33Å; A164-I168 VanDerWaalsContact O-N 3.12Å
165L95.8Very high96.9Very high9 Ų95.2 Ų5.25%0.0473%0.029CC..Hα-helixtrans-59.1-39.9-174.9-176.656.9000113.1M86 L88 E163 V167 I168 L169 E199 L200 N203 L204M86-L165 HydrophobicContact CE-CD1 4.37Å; M86-L165 HydrophobicContact CE-CD2 3.15Å; M86-L165 HydrophobicContact CE-CG 3.89Å; L88-L165 HydrophobicContact CD1-CG 4.42Å; E163-L165 PolarHBondContact O-N 2.82Å; L165-V167 PolarHBondContact O-N 3.25Å; L165-I168 PolarHBondContact O-N 2.91Å; L165-L169 HydrophobicContact CD1-CD1 4.07Å; L165-L169 HydrophobicContact CD1-CG 4.08Å; L165-L169 HydrophobicContact CG-CD1 4.13Å; L165-L169 HydrophobicContact CG-CG 4.5Å; L165-L169 WeakPolarHBondContact O-CB 3.3Å; L165-L169 WeakPolarHBondContact O-CG 3.2Å; L165-L169 PolarHBondContact O-N 2.87Å; L165-E199 HydrophobicContact CD2-CB 4.08Å; L165-L200 HydrophobicContact CD1-CD2 4.35Å; L165-N203 HydrophobicContact CD2-CB 4.05Å; L165-L204 HydrophobicContact CD1-CB 4Å; L165-L204 HydrophobicContact CD1-CD1 3.91Å; L165-L204 HydrophobicContact CD1-CG 4.48Å
166S96.1Very high96.9Very high1 Ų16.9 Ų6.91%0.0074%0.039CC..Hα-helixtrans-58.9-34.6174.9540000112.8S125 D126 L130 A164 R170S125-S166 WeakPolarHBondContact CB-OG 3.21Å; S125-S166 PolarHBondContact OG-OG 3.44Å; D126-S166 WeakPolarHBondContact OD1-CB 3.27Å; D126-S166 PolarHBondContact OD1-OG 3.03Å; L130-S166 VanDerWaalsContact CD2-O 3.27Å; L130-S166 WeakPolarHBondContact CD2-O 3.27Å; A164-S166 VanDerWaalsContact C-N 3.31Å; A164-S166 PolarHBondContact O-N 2.86Å; S166-R170 VanDerWaalsContact O-CB 3.23Å; S166-R170 WeakPolarHBondContact O-CB 3.02Å; S166-R170 PolarHBondContact O-N 3.14Å
167V96.9Very high96.8Very high3 Ų310.9 Ų10.92%0.0186%0.06CC..Hα-helixtrans-77.7-43.1-177.9175.50000111.6Y120 S125 A164 L165 L169 R170 S171 A248 H249 F284 I380Y120-V167 HydrophobicContact CE2-CG2 3.75Å; S125-V167 WeakPolarHBondContact OG-CG2 2.88Å; A164-V167 HydrophobicContact CB-CB 4.3Å; A164-V167 HydrophobicContact CB-CG2 4.03Å; A164-V167 WeakPolarHBondContact O-CB 3.38Å; A164-V167 PolarHBondContact O-N 2.83Å; L165-V167 PolarHBondContact O-N 3.25Å; V167-L169 PolarHBondContact O-N 3.09Å; V167-R170 PolarHBondContact O-N 3.38Å; V167-S171 PolarHBondContact O-N 3.21Å; V167-S171 PolarHBondContact O-OG 2.52Å; V167-A248 CarbonylContact C-O 3.53Å; V167-H249 VanDerWaalsContact CG1-CA 3.42Å; V167-H249 HydrophobicContact CG1-CB 3.29Å; V167-F284 HydrophobicContact CG2-CE1 4.43Å; V167-F284 HydrophobicContact CG2-CZ 4.42Å; V167-I380 HydrophobicContact CG1-CD1 3.75Å; V167-I380 HydrophobicContact CG2-CD1 4.14Å
168I97.8Very high96.7Very high0 Ų013.1 Ų13.10%07%0.071CC..Hα-helixtrans-58.5-50.9173.3-57.2174.9000109.7F160 E163 A164 L165 R170 S171 V172 L189 L200 L204 A248F160-I168 HydrophobicContact CB-CD1 4.38Å; F160-I168 HydrophobicContact CD1-CD1 4.48Å; F160-I168 HydrophobicContact CD2-CD1 3.62Å; F160-I168 HydrophobicContact CE2-CD1 3.93Å; F160-I168 HydrophobicContact CG-CD1 3.91Å; F160-I168 HydrophobicContact CZ-CD1 4.48Å; E163-I168 HydrophobicContact CB-CD1 3.9Å; E163-I168 HydrophobicContact CB-CG1 3.84Å; E163-I168 HydrophobicContact CG-CD1 4.29Å; E163-I168 HydrophobicContact CG-CG1 3.65Å; A164-I168 PolarHBondContact O-N 3.33Å; A164-I168 VanDerWaalsContact O-N 3.12Å; L165-I168 PolarHBondContact O-N 2.91Å; I168-R170 VanDerWaalsContact C-N 3.34Å; I168-R170 PolarHBondContact O-N 3.1Å; I168-S171 WeakPolarHBondContact O-CB 3.43Å; I168-S171 PolarHBondContact O-N 2.78Å; I168-S171 VanDerWaalsContact O-N 3.16Å; I168-V172 WeakPolarHBondContact O-CG2 3.39Å; I168-V172 PolarHBondContact O-N 3.26Å; I168-L189 HydrophobicContact CG2-CD1 4.42Å; I168-L189 HydrophobicContact CG2-CD2 4.49Å; I168-L200 HydrophobicContact CD1-CD2 3.45Å; I168-L200 VanDerWaalsContact CD1-CD2 3.45Å; I168-L204 HydrophobicContact CG2-CD1 4.36Å; I168-A248 HydrophobicContact CG1-CB 4.33Å
169L97.9Very high96.6Very high0 Ų013.6 Ų13.60%07%0.073CC..Hα-helixtrans-65.6-37.6-176.7-68.2-178.5000111.7M86 L88 L130 L165 V167 S171 V172 H173 L204 Y207 V208M86-L169 HydrophobicContact CE-CD1 4.09Å; L88-L169 HydrophobicContact CD1-CD1 3.81Å; L130-L169 HydrophobicContact CD1-CB 3.94Å; L130-L169 HydrophobicContact CD1-CD1 4.24Å; L130-L169 HydrophobicContact CD2-CB 3.9Å; L165-L169 HydrophobicContact CD1-CD1 4.07Å; L165-L169 HydrophobicContact CD1-CG 4.08Å; L165-L169 HydrophobicContact CG-CD1 4.13Å; L165-L169 HydrophobicContact CG-CG 4.5Å; L165-L169 WeakPolarHBondContact O-CB 3.3Å; L165-L169 WeakPolarHBondContact O-CG 3.2Å; L165-L169 PolarHBondContact O-N 2.87Å; V167-L169 PolarHBondContact O-N 3.09Å; L169-S171 VanDerWaalsContact C-N 3.3Å; L169-S171 PolarHBondContact O-N 2.99Å; L169-V172 PolarHBondContact O-N 2.89Å; L169-H173 WeakPolarHBondContact O-CB 3.43Å; L169-H173 PolarHBondContact O-CD2 3.42Å; L169-H173 PolarHBondContact O-N 3.12Å; L169-L204 HydrophobicContact CD2-CD1 3.75Å; L169-Y207 HydrophobicContact CD1-CD1 3.82Å; L169-Y207 HydrophobicContact CD1-CD2 4.36Å; L169-Y207 HydrophobicContact CD1-CE1 4Å; L169-Y207 HydrophobicContact CD1-CG 4.01Å; L169-Y207 HydrophobicContact CD2-CD1 3.41Å; L169-Y207 VanDerWaalsContact CD2-CD1 3.41Å; L169-Y207 HydrophobicContact CD2-CE1 3.73Å; L169-Y207 HydrophobicContact CD2-CG 4.27Å; L169-Y207 HydrophobicContact CG-CD1 4.25Å; L169-Y207 HydrophobicContact CG-CE1 4.37Å; L169-V208 HydrophobicContact CD2-CG1 4.13Å
170R97.9Very high96.7Very high4 Ų414.8 Ų14.82%0.0158%0.082CC..Hα-helixtrans-63.6-35.9174.3-162.8-170-39.2-83.2-2.6112.2S125 I128 S129 L130 S166 V167 I168 H173 S174 E251S125-R170 PolarHBondContact O-NH2 3.18Å; S125-R170 PolarHBondContact OG-NH2 3.09Å; I128-R170 PolarHBondContact O-NH1 3.38Å; S129-R170 PolarHBondContact O-NH1 3.35Å; L130-R170 HydrophobicContact CD2-CB 4.17Å; S166-R170 VanDerWaalsContact O-CB 3.23Å; S166-R170 WeakPolarHBondContact O-CB 3.02Å; S166-R170 PolarHBondContact O-N 3.14Å; V167-R170 PolarHBondContact O-N 3.38Å; I168-R170 VanDerWaalsContact C-N 3.34Å; I168-R170 PolarHBondContact O-N 3.1Å; R170-H173 PolarHBondContact O-N 2.74Å; R170-S174 VanDerWaalsContact O-CB 3.3Å; R170-S174 WeakPolarHBondContact O-CB 3.46Å; R170-S174 PolarHBondContact O-N 3.33Å; R170-S174 PolarHBondContact O-OG 3.45Å; R170-S174 VanDerWaalsContact O-OG 3.06Å; R170-E251 WeakPolarHBondContact CD-OE1 3.31Å; R170-E251 HydrophobicContact CG-CG 4.16Å
171S98.4Very high96.7Very high1 Ų118.9 Ų18.91%0.00712%0.117CC..Hα-helixtrans-63.3-44.6172.5-540000111.4V167 I168 L169 S174 V175 A248 V250V167-S171 PolarHBondContact O-N 3.21Å; V167-S171 PolarHBondContact O-OG 2.52Å; I168-S171 WeakPolarHBondContact O-CB 3.43Å; I168-S171 PolarHBondContact O-N 2.78Å; I168-S171 VanDerWaalsContact O-N 3.16Å; L169-S171 VanDerWaalsContact C-N 3.3Å; L169-S171 PolarHBondContact O-N 2.99Å; S171-S174 PolarHBondContact O-OG 3.25Å; S171-V175 PolarHBondContact O-N 3.49Å; S171-V175 VanDerWaalsContact O-N 3.09Å; S171-A248 VanDerWaalsContact OG-C 3.29Å; S171-A248 PolarHBondContact OG-O 3.45Å; S171-V250 VanDerWaalsContact CA-O 3.26Å; S171-V250 WeakPolarHBondContact CA-O 3.48Å; S171-V250 WeakPolarHBondContact CB-O 3.38Å; S171-V250 PolarHBondContact OG-N 2.88Å; S171-V250 VanDerWaalsContact OG-N 3.1Å; S171-V250 PolarHBondContact OG-O 2.97Å
172V98.4Very high96.8Very high0 Ų023 Ų230%014%0.135CC..Hα-helixtrans-62.8-46.9175.7174.90000111.5F158 I168 L169 V175 V176 I187 L189 Y212 V216F158-V172 HydrophobicContact CD2-CG2 4.42Å; F158-V172 HydrophobicContact CE2-CG2 4.36Å; I168-V172 WeakPolarHBondContact O-CG2 3.39Å; I168-V172 PolarHBondContact O-N 3.26Å; L169-V172 PolarHBondContact O-N 2.89Å; V172-V175 VanDerWaalsContact O-CG1 3.27Å; V172-V175 WeakPolarHBondContact O-CG1 3.41Å; V172-V175 PolarHBondContact O-N 2.65Å; V172-V176 VanDerWaalsContact O-CG2 3.28Å; V172-V176 WeakPolarHBondContact O-CG2 3.16Å; V172-V176 PolarHBondContact O-N 3Å; V172-V176 VanDerWaalsContact O-N 3.09Å; V172-I187 HydrophobicContact CG1-CD1 4.14Å; V172-L189 HydrophobicContact CG2-CD1 4.3Å; V172-L189 HydrophobicContact CG2-CD2 3.86Å; V172-Y212 HydrophobicContact CG1-CD2 3.95Å; V172-Y212 HydrophobicContact CG1-CE2 3.71Å; V172-V216 HydrophobicContact CG1-CG2 3.99Å
173H97.8Very high97.1Very high0 Ų020.6 Ų20.60%012%0.122CC..Hα-helixtrans-61.3-48.8178.1-82.6-120.3000111.2L130 D131 L169 R170 V175 V176 N177 Y207 Y212L130-H173 VanDerWaalsContact O-CB 3.26Å; L130-H173 WeakPolarHBondContact O-CB 3.46Å; D131-H173 IonicContact OD1-CE1 2.83Å; D131-H173 IonicContact OD1-CG 2.68Å; D131-H173 IonicContact OD1-ND1 3.97Å; D131-H173 PolarHBondContact OD1-ND1 2.82Å; D131-H173 IonicContact OD2-ND1 3.38Å; L169-H173 WeakPolarHBondContact O-CB 3.43Å; L169-H173 PolarHBondContact O-CD2 3.42Å; L169-H173 PolarHBondContact O-N 3.12Å; R170-H173 PolarHBondContact O-N 2.74Å; H173-V175 VanDerWaalsContact C-N 3.34Å; H173-V175 PolarHBondContact O-N 3.38Å; H173-V176 PolarHBondContact O-N 3.24Å; H173-N177 VanDerWaalsContact O-CB 3.25Å; H173-N177 WeakPolarHBondContact O-CB 3.43Å; H173-N177 PolarHBondContact O-N 3.32Å; H173-N177 PolarHBondContact O-ND2 2.88Å; H173-Y207 PolarHBondContact CE1-OH 2.66Å; H173-Y207 AromaticContact NE2-CE1 3.65Å; H173-Y207 AromaticContact NE2-CZ 3.67Å; H173-Y207 PolarHBondContact NE2-OH 3.19Å; H173-Y212 AromaticContact CD2-CZ 3.98Å; H173-Y212 PolarHBondContact CD2-OH 3.13Å; H173-Y212 PolarHBondContact CE1-OH 2.71Å; H173-Y212 PolarHBondContact ND1-OH 2.87Å; H173-Y212 AromaticContact NE2-CE2 3.81Å; H173-Y212 AromaticContact NE2-CZ 3.78Å; H173-Y212 PolarHBondContact NE2-OH 2.78Å
174S98Very high97.2Very high8 Ų821.1 Ų21.16%0.05613%0.125CC..Hα-helixtrans-62.8-39.3-177.466.60000112.3R170 S171 H178 F252R170-S174 VanDerWaalsContact O-CB 3.3Å; R170-S174 WeakPolarHBondContact O-CB 3.46Å; R170-S174 PolarHBondContact O-N 3.33Å; R170-S174 PolarHBondContact O-OG 3.45Å; R170-S174 VanDerWaalsContact O-OG 3.06Å; S171-S174 PolarHBondContact O-OG 3.25Å; S174-H178 WeakPolarHBondContact O-CB 3.33Å; S174-H178 PolarHBondContact O-N 2.74Å; S174-H178 PolarHBondContact O-ND1 3.39Å; S174-F252 PolarHBondContact OG-N 3.16Å
175V98.4Very high97.4Very high0 Ų025.6 Ų25.60%014%0.144CC..Hα-helixtrans-70-37.8176.9730000112.4V156 F158 S171 V172 H173 T179 I187 F252 W256V156-V175 HydrophobicContact CB-CG2 4.46Å; V156-V175 HydrophobicContact CG1-CG2 4.25Å; V156-V175 HydrophobicContact CG2-CG2 3.98Å; F158-V175 HydrophobicContact CE2-CG1 3.96Å; F158-V175 HydrophobicContact CZ-CB 4.33Å; F158-V175 HydrophobicContact CZ-CG1 4.02Å; S171-V175 PolarHBondContact O-N 3.49Å; S171-V175 VanDerWaalsContact O-N 3.09Å; V172-V175 VanDerWaalsContact O-CG1 3.27Å; V172-V175 WeakPolarHBondContact O-CG1 3.41Å; V172-V175 PolarHBondContact O-N 2.65Å; H173-V175 VanDerWaalsContact C-N 3.34Å; H173-V175 PolarHBondContact O-N 3.38Å; V175-T179 WeakPolarHBondContact O-CB 3.38Å; V175-T179 PolarHBondContact O-N 3.42Å; V175-T179 PolarHBondContact O-OG1 3.35Å; V175-I187 HydrophobicContact CG1-CD1 3.49Å; V175-I187 VanDerWaalsContact CG1-CD1 3.49Å; V175-I187 HydrophobicContact CG1-CG1 4.13Å; V175-F252 HydrophobicContact CB-CD2 3.62Å; V175-F252 HydrophobicContact CB-CE2 3.75Å; V175-F252 HydrophobicContact CB-CG 4.12Å; V175-F252 HydrophobicContact CB-CZ 4.29Å; V175-F252 HydrophobicContact CG2-CD1 4.35Å; V175-F252 HydrophobicContact CG2-CD2 4.15Å; V175-F252 HydrophobicContact CG2-CE1 4.26Å; V175-F252 HydrophobicContact CG2-CE2 4.09Å; V175-F252 HydrophobicContact CG2-CG 4.28Å; V175-F252 HydrophobicContact CG2-CZ 4.12Å; V175-W256 HydrophobicContact CG2-CZ2 3.93Å
176V97.9Very high97.5Very high35 Ų3525.2 Ų25.221%0.21214%0.142CC..Hα-helixtrans-65.4-45.5174.9173.40000110.6V172 H173 H178 L184 I187 Y212 L215V172-V176 VanDerWaalsContact O-CG2 3.28Å; V172-V176 WeakPolarHBondContact O-CG2 3.16Å; V172-V176 PolarHBondContact O-N 3Å; V172-V176 VanDerWaalsContact O-N 3.09Å; H173-V176 PolarHBondContact O-N 3.24Å; V176-H178 VanDerWaalsContact C-N 3.34Å; V176-H178 PolarHBondContact O-N 2.9Å; V176-L184 HydrophobicContact CG2-CD2 4.23Å; V176-I187 HydrophobicContact CG2-CD1 3.5Å; V176-Y212 HydrophobicContact CB-CE1 4.32Å; V176-Y212 HydrophobicContact CG1-CE1 4Å; V176-Y212 HydrophobicContact CG2-CD1 4.27Å; V176-Y212 HydrophobicContact CG2-CE1 3.99Å; V176-L215 HydrophobicContact CG2-CD2 4Å
177N96Very high97.7Very high85 Ų8525.2 Ų25.246%0.45514%0.142SC..Hα-helixtrans-70.8-28.1-175.4-68.4-15.6000112.9D131 H173D131-N177 PolarHBondContact OD1-ND2 2.82Å; D131-N177 VanDerWaalsContact OD1-ND2 3.1Å; H173-N177 VanDerWaalsContact O-CB 3.25Å; H173-N177 WeakPolarHBondContact O-CB 3.43Å; H173-N177 PolarHBondContact O-N 3.32Å; H173-N177 PolarHBondContact O-ND2 2.88Å
178H96.8Very high97.8Very high46 Ų4625 Ų2521%0.21314%0.141CC..Hα-helixtrans-111.110.6-175.1-59.498.6000114.7S174 V176 F252S174-H178 WeakPolarHBondContact O-CB 3.33Å; S174-H178 PolarHBondContact O-N 2.74Å; S174-H178 PolarHBondContact O-ND1 3.39Å; V176-H178 VanDerWaalsContact C-N 3.34Å; V176-H178 PolarHBondContact O-N 2.9Å; H178-F252 HydrophobicContact CB-CB 4.41Å; H178-F252 PolarHBondContact ND1-O 3.11Å; H178-F252 VanDerWaalsContact ND1-O 3.17Å
179T97.8Very high97.8Very high10 Ų1025 Ų256%0.06114%0.141CC..SBendtrans-119.3126.6174.8-47.80000110.1V175 A181 L183 L184 W256 A257V175-T179 WeakPolarHBondContact O-CB 3.38Å; V175-T179 PolarHBondContact O-N 3.42Å; V175-T179 PolarHBondContact O-OG1 3.35Å; T179-A181 PolarHBondContact O-N 3.11Å; T179-L183 HydrophobicContact CG2-CB 4.38Å; T179-L184 HydrophobicContact CG2-CB 3.81Å; T179-W256 PolarHBondContact OG1-NE1 3.22Å; T179-A257 HydrophobicContact CG2-CB 4.04Å
180P96.4Very high97.8Very high38 Ų3825 Ų2525%0.24714%0.141CC..  trans-54.5132.9175-26.334.3000112H182 L183 L184 E258P180-H182 PolarHBondContact O-N 3.37Å; P180-H182 VanDerWaalsContact O-N 3.09Å; P180-L183 HydrophobicContact CB-CD1 4.09Å; P180-L183 HydrophobicContact CB-CG 4.17Å; P180-L183 HydrophobicContact CG-CD1 3.95Å; P180-L183 PolarHBondContact O-N 2.82Å; P180-L184 PolarHBondContact O-N 2.81Å; P180-L184 VanDerWaalsContact O-N 3.16Å; P180-E258 WeakPolarHBondContact CG-OE1 3.43Å
181A95.9Very high97.8Very high91 Ų9125 Ų2575%0.75214%0.141SC*.THydrogen-bonded Turntrans-59.5-27.4-172.300000114.3T179 L183T179-A181 PolarHBondContact O-N 3.11Å; A181-L183 VanDerWaalsContact C-N 3.32Å
182H96.4Very high97.7Very high95 Ų9525 Ų2544%0.4414%0.141SC..THydrogen-bonded Turntrans-75.6-21.1176.867-89.3000112.9Q153 P180Q153-H182 PolarHBondContact NE2-O 3.08Å; P180-H182 PolarHBondContact O-N 3.37Å; P180-H182 VanDerWaalsContact O-N 3.09Å
183L98.1Very high97.5Very high2 Ų227.5 Ų27.51%0.0116%0.155CC..THydrogen-bonded Turntrans-90.7-36.7177.8-57.7179.6000112.1L151 Q153 I154 T179 P180 A181 K185 E258 L261L151-L183 HydrophobicContact CB-CD2 3.67Å; L151-L183 HydrophobicContact CD1-CD1 4.42Å; Q153-L183 CarbonylContact C-O 3.43Å; Q153-L183 WeakPolarHBondContact CA-O 3.44Å; Q153-L183 WeakPolarHBondContact CB-O 3.31Å; I154-L183 PolarHBondContact N-O 3Å; T179-L183 HydrophobicContact CG2-CB 4.38Å; P180-L183 HydrophobicContact CB-CD1 4.09Å; P180-L183 HydrophobicContact CB-CG 4.17Å; P180-L183 HydrophobicContact CG-CD1 3.95Å; P180-L183 PolarHBondContact O-N 2.82Å; A181-L183 VanDerWaalsContact C-N 3.32Å; L183-K185 PolarHBondContact O-N 3.43Å; L183-E258 HydrophobicContact CD1-CG 4.1Å; L183-L261 HydrophobicContact CB-CD1 4.22Å; L183-L261 HydrophobicContact CD1-CD1 4Å; L183-L261 HydrophobicContact CD2-CD1 4.33Å; L183-L261 HydrophobicContact CG-CD1 4.41Å
184L98.4Very high97.3Very high13 Ų1327.6 Ų27.67%0.06816%0.155CC..EExtended strand (participates in β ladder)trans-78.4104.5-178.9-174.261.4000111.2I154 V156 V176 T179 P180 I187 L215I154-L184 HydrophobicContact CG2-CD1 4.48Å; V156-L184 HydrophobicContact CG2-CD1 3.91Å; V176-L184 HydrophobicContact CG2-CD2 4.23Å; T179-L184 HydrophobicContact CG2-CB 3.81Å; P180-L184 PolarHBondContact O-N 2.81Å; P180-L184 VanDerWaalsContact O-N 3.16Å; L184-I187 HydrophobicContact CD1-CG1 4.21Å; L184-I187 HydrophobicContact CD2-CD1 4.19Å; L184-I187 HydrophobicContact CD2-CG1 4.33Å; L184-L215 HydrophobicContact CD2-CD1 4.42Å; L184-L215 HydrophobicContact CD2-CD2 4.43Å; L184-L215 HydrophobicContact CG-CD1 4.3Å
185K98.4Very high97Very high96 Ų9632.9 Ų32.942%0.41718%0.183SC..EExtended strand (participates in β ladder)trans-75.4-50.5179.6-179.854.7167.7-167.20112.1Q153 I154 L183Q153-K185 HydrophobicContact CB-CB 4.06Å; I154-K185 WeakPolarHBondContact O-CB 3.32Å; I154-K185 PolarHBondContact O-N 2.65Å; L183-K185 PolarHBondContact O-N 3.43Å
186E98.5Very high96.5Very high2 Ų234.8 Ų34.81%0.00920%0.196CC..EExtended strand (participates in β ladder)trans-164.7158-173.163.3-166.1155.800111S155 V156 I188 L215 K217 T239S155-E186 WeakPolarHBondContact CA-O 3.31Å; S155-E186 VanDerWaalsContact OG-CG 3.31Å; S155-E186 WeakPolarHBondContact OG-CG 3.18Å; S155-E186 PolarHBondContact OG-OE1 3.17Å; V156-E186 PolarHBondContact N-O 2.79Å; E186-I188 HydrophobicContact CG-CD1 4.25Å; E186-I188 HydrophobicContact CG-CG1 4.3Å; E186-L215 CarbonylContact C-O 3.56Å; E186-L215 WeakPolarHBondContact CA-O 3.29Å; E186-K217 VanDerWaalsContact OE2-CE 3.24Å; E186-K217 WeakPolarHBondContact OE2-CE 3.35Å; E186-K217 IonicContact OE2-NZ 2.82Å; E186-K217 PolarHBondContact OE2-NZ 2.92Å; E186-T239 PolarHBondContact OE1-N 2.82Å; E186-T239 PolarHBondContact OE1-OG1 2.85Å
187I98.9Very high95.9Very high0 Ų037.6 Ų37.60%021%0.213CC..EExtended strand (participates in β ladder)trans-117.7130.6170.4-59.4167.7000107.8V156 F158 V172 V175 V176 L184 L189 L215 V216 K217V156-I187 CarbonylContact O-C 3.58Å; V156-I187 VanDerWaalsContact O-CA 3.29Å; V156-I187 WeakPolarHBondContact O-CA 3.16Å; F158-I187 HydrophobicContact CD2-CG2 3.75Å; F158-I187 HydrophobicContact CE2-CG2 3.76Å; V172-I187 HydrophobicContact CG1-CD1 4.14Å; V175-I187 HydrophobicContact CG1-CD1 3.49Å; V175-I187 VanDerWaalsContact CG1-CD1 3.49Å; V175-I187 HydrophobicContact CG1-CG1 4.13Å; V176-I187 HydrophobicContact CG2-CD1 3.5Å; L184-I187 HydrophobicContact CD1-CG1 4.21Å; L184-I187 HydrophobicContact CD2-CD1 4.19Å; L184-I187 HydrophobicContact CD2-CG1 4.33Å; I187-L189 HydrophobicContact CG2-CD2 4.06Å; I187-L215 PolarHBondContact N-O 2.8Å; I187-V216 HydrophobicContact CB-CG2 4.08Å; I187-V216 HydrophobicContact CD1-CG2 4.12Å; I187-V216 CarbonylContact O-C 3.56Å; I187-V216 WeakPolarHBondContact O-CA 3.32Å; I187-K217 PolarHBondContact O-N 3.41Å
188I98.9Very high95.6Very high0 Ų038 Ų380%022%0.218CC..EExtended strand (participates in β ladder)trans-117.6113.7-177.4-61.2163.6000108.2V156 V157 F158 E186 V190 K217 V219 A237 A238V156-I188 PolarHBondContact O-N 2.66Å; V157-I188 CarbonylContact C-O 3.59Å; V157-I188 WeakPolarHBondContact CA-O 3.31Å; V157-I188 HydrophobicContact CG2-CB 4.24Å; V157-I188 HydrophobicContact CG2-CD1 4.27Å; F158-I188 PolarHBondContact N-O 2.89Å; E186-I188 HydrophobicContact CG-CD1 4.25Å; E186-I188 HydrophobicContact CG-CG1 4.3Å; I188-V190 HydrophobicContact CG2-CG2 3.96Å; I188-K217 WeakPolarHBondContact CA-O 3.46Å; I188-V219 HydrophobicContact CG2-CG2 3.88Å; I188-A237 HydrophobicContact CD1-CB 4.18Å; I188-A237 HydrophobicContact CG2-CB 4.22Å; I188-A238 VanDerWaalsContact CD1-CA 3.48Å; I188-A238 HydrophobicContact CD1-CB 3.73Å
189L98.7Very high95.3Very high0 Ų039.4 Ų39.40%023%0.225CC..EExtended strand (participates in β ladder)trans-94.4109.7174.5-55-175.3000108.7F158 F160 I168 V172 I187 L204 V208 V216 K217 I218 V219F158-L189 HydrophobicContact CB-CD2 3.85Å; F158-L189 HydrophobicContact CD2-CD2 3.62Å; F158-L189 HydrophobicContact CG-CD2 4.2Å; F160-L189 HydrophobicContact CE1-CB 3.93Å; I168-L189 HydrophobicContact CG2-CD1 4.42Å; I168-L189 HydrophobicContact CG2-CD2 4.49Å; V172-L189 HydrophobicContact CG2-CD1 4.3Å; V172-L189 HydrophobicContact CG2-CD2 3.86Å; I187-L189 HydrophobicContact CG2-CD2 4.06Å; L189-L204 HydrophobicContact CD1-CD1 4.12Å; L189-L204 HydrophobicContact CD1-CD2 4.34Å; L189-L204 HydrophobicContact CD1-CG 4.49Å; L189-V208 HydrophobicContact CD1-CG1 4.19Å; L189-V216 HydrophobicContact CD1-CG1 3.81Å; L189-V216 HydrophobicContact CG-CG1 3.93Å; L189-K217 PolarHBondContact N-O 3.18Å; L189-I218 HydrophobicContact CB-CG1 4.28Å; L189-I218 HydrophobicContact CD1-CG1 4.36Å; L189-I218 CarbonylContact O-C 3.47Å; L189-I218 WeakPolarHBondContact O-CA 3.25Å; L189-V219 PolarHBondContact O-N 3.24Å
190V98.4Very high95Very high0 Ų039 Ų390%022%0.223CC..EExtended strand (participates in β ladder)trans-97.2106.6177.5-170.20000109.2V157 F158 I159 F160 I188 V219 A230 H233V157-V190 HydrophobicContact CG1-CG2 3.87Å; F158-V190 PolarHBondContact O-N 2.66Å; I159-V190 HydrophobicContact CG1-CB 4.25Å; F160-V190 VanDerWaalsContact CD1-O 3.32Å; F160-V190 WeakPolarHBondContact CD1-O 2.98Å; F160-V190 PolarHBondContact N-O 2.98Å; I188-V190 HydrophobicContact CG2-CG2 3.96Å; V190-V219 CarbonylContact C-O 3.42Å; V190-V219 WeakPolarHBondContact CA-O 3.38Å; V190-V219 HydrophobicContact CG1-CB 4.49Å; V190-V219 HydrophobicContact CG1-CG1 4.44Å; V190-V219 HydrophobicContact CG2-CB 4.38Å; V190-A230 HydrophobicContact CG1-CB 3.97Å; V190-H233 HydrophobicContact CG1-CB 4.43Å
191D97.8Very high94.9Very high2 Ų240.1 Ų40.11%0.01122%0.224CC..EExtended strand (participates in β ladder)trans-82.9111.6171.5-179.718.8000109.9F160 N193 S194 V219 R220 N221F160-D191 HydrophobicContact CE1-CB 3.95Å; F160-D191 HydrophobicContact CE2-CB 3.96Å; F160-D191 HydrophobicContact CZ-CB 3.5Å; D191-N193 PolarHBondContact O-N 3.26Å; D191-N193 PolarHBondContact OD1-N 3.17Å; D191-S194 WeakPolarHBondContact OD1-CB 3.46Å; D191-S194 PolarHBondContact OD1-N 2.97Å; D191-S194 PolarHBondContact OD1-OG 2.9Å; D191-V219 PolarHBondContact N-O 2.8Å; D191-R220 VanDerWaalsContact CB-NH1 3.29Å; D191-R220 VanDerWaalsContact OD2-CD 3.28Å; D191-R220 WeakPolarHBondContact OD2-CD 3.45Å; D191-R220 IonicContact OD2-CZ 2.82Å; D191-R220 IonicContact OD2-NE 3.89Å; D191-R220 IonicContact OD2-NH1 3.66Å; D191-R220 PolarHBondContact OD2-NH1 3.28Å; D191-N221 WeakPolarHBondContact O-CB 3.35Å; D191-N221 PolarHBondContact O-N 3.06Å
192D95.7Very high94.7Very high2 Ų241.2 Ų41.21%0.01121%0.211CC..  trans-81.456.4173.7-169.435.5000111.1F160 V161 N221 R224 E225 G226 A230F160-D192 PolarHBondContact O-N 3.28Å; V161-D192 HydrophobicContact CB-CB 4.24Å; V161-D192 WeakPolarHBondContact CG2-O 3.3Å; D192-N221 PolarHBondContact OD1-ND2 2.94Å; D192-R224 WeakPolarHBondContact O-CD 3.24Å; D192-R224 VanDerWaalsContact OD2-CD 3.23Å; D192-R224 WeakPolarHBondContact OD2-CD 3.38Å; D192-R224 IonicContact OD2-CZ 3.03Å; D192-R224 IonicContact OD2-NE 4Å; D192-R224 PolarHBondContact OD2-NE 3.17Å; D192-E225 WeakPolarHBondContact OD1-CA 3.43Å; D192-E225 WeakPolarHBondContact OD1-CB 3Å; D192-E225 PolarHBondContact OD1-N 3.11Å; D192-G226 PolarHBondContact OD1-N 3.31Å; D192-G226 WeakPolarHBondContact OD2-CA 3.47Å; D192-G226 PolarHBondContact OD2-N 3.38Å; D192-A230 HydrophobicContact CB-CB 4.16Å
193N95Very high94.6Very high53 Ų5338.2 Ų38.228%0.28320%0.199SC..  trans57.160.3176.8-171.255.5000114.1D191 K223D191-N193 PolarHBondContact O-N 3.26Å; D191-N193 PolarHBondContact OD1-N 3.17Å; N193-K223 VanDerWaalsContact CB-C 3.44Å; N193-K223 WeakPolarHBondContact CB-O 3.5Å
194S93.8Very high94.5Very high1 Ų138.1 Ų38.11%0.00720%0.198CC..  trans-64.5147.7173.9-59.70000113.1V161 N162 D191 K201V161-S194 WeakPolarHBondContact CA-OG 3.25Å; N162-S194 PolarHBondContact N-OG 2.9Å; N162-S194 WeakPolarHBondContact OD1-CA 3.31Å; N162-S194 WeakPolarHBondContact OD1-CB 3.44Å; D191-S194 WeakPolarHBondContact OD1-CB 3.46Å; D191-S194 PolarHBondContact OD1-N 2.97Å; D191-S194 PolarHBondContact OD1-OG 2.9Å; S194-K201 WeakPolarHBondContact O-CE 3.33Å; S194-K201 PolarHBondContact O-NZ 2.83Å
195D91.3Very high94.3Very high120 Ų12040.1 Ų40.164%0.64221%0.209SC*.SBendtrans-78.9-35.2-178.5-59.6-47.6000112N162 V197N162-D195 PolarHBondContact ND2-OD2 3.43Å; N162-D195 PolarHBondContact OD1-N 2.82Å; D195-V197 PolarHBondContact O-N 2.85Å
196S86.9Confident94Very high39 Ų3939.4 Ų39.427%0.27321%0.207SC..  trans-68.697.2-177.1-1770000112.2E199 L200 K201S196-E199 WeakPolarHBondContact OG-CB 3.28Å; S196-E199 PolarHBondContact OG-N 3.23Å; S196-L200 WeakPolarHBondContact O-CB 3.27Å; S196-L200 PolarHBondContact O-N 2.93Å; S196-K201 PolarHBondContact O-N 3.06Å
197V85.8Confident93.9Very high95 Ų9539.5 Ų39.558%0.57621%0.207SC*.THydrogen-bonded Turntrans-68.9-36.7178.9179.70000112D195 K201 F202D195-V197 PolarHBondContact O-N 2.85Å; V197-K201 VanDerWaalsContact O-CB 3.29Å; V197-K201 WeakPolarHBondContact O-CB 3.34Å; V197-F202 PolarHBondContact O-N 3.02Å
198V88.7Confident93.7Very high93 Ų9339.5 Ų39.556%0.56421%0.207SC*.Iπ-helixtrans-78.3-55.9-175.5178.70000110.9F202 N203V198-F202 PolarHBondContact O-N 3.49Å; V198-N203 WeakPolarHBondContact O-CB 3.38Å; V198-N203 PolarHBondContact O-N 3.09Å
199E90.3Very high93.5Very high75 Ų7544.2 Ų44.235%0.3523%0.233SC..Iπ-helixtrans-75.5-51.4-173.2-62.7-170.7155.400111.9L165 S196 N203 L204L165-E199 HydrophobicContact CD2-CB 4.08Å; S196-E199 WeakPolarHBondContact OG-CB 3.28Å; S196-E199 PolarHBondContact OG-N 3.23Å; E199-N203 WeakPolarHBondContact O-CB 3.35Å; E199-L204 PolarHBondContact O-N 3.48Å; E199-L204 VanDerWaalsContact O-N 3.07Å
200L93.5Very high93.2Very high3 Ų350.2 Ų50.22%0.01626%0.259CS..Iπ-helixtrans-89.8-12.2-169.9-66.5-177.1000114.3F160 E163 L165 I168 S196 L204 R220F160-L200 HydrophobicContact CD2-CD1 4.43Å; F160-L200 HydrophobicContact CE2-CB 4.36Å; F160-L200 HydrophobicContact CE2-CD1 4.34Å; F160-L200 HydrophobicContact CE2-CD2 4.26Å; E163-L200 WeakPolarHBondContact O-CD2 3.19Å; L165-L200 HydrophobicContact CD1-CD2 4.35Å; I168-L200 HydrophobicContact CD1-CD2 3.45Å; I168-L200 VanDerWaalsContact CD1-CD2 3.45Å; S196-L200 WeakPolarHBondContact O-CB 3.27Å; S196-L200 PolarHBondContact O-N 2.93Å; L200-L204 WeakPolarHBondContact O-CD2 3.26Å; L200-R220 PolarHBondContact O-NH1 2.9Å; L200-R220 PolarHBondContact O-NH2 3.03Å
201K92.4Very high92.9Very high61 Ų6152.7 Ų52.727%0.26527%0.268SS..Iπ-helixtrans-107.2-79.6171.4-46.3-178.4-175.41770109S194 S196 V197 N203 L204 D205S194-K201 WeakPolarHBondContact O-CE 3.33Å; S194-K201 PolarHBondContact O-NZ 2.83Å; S196-K201 PolarHBondContact O-N 3.06Å; V197-K201 VanDerWaalsContact O-CB 3.29Å; V197-K201 WeakPolarHBondContact O-CB 3.34Å; K201-N203 PolarHBondContact O-N 2.87Å; K201-L204 PolarHBondContact O-N 2.81Å; K201-D205 VanDerWaalsContact O-CB 3.24Å; K201-D205 WeakPolarHBondContact O-CB 3.3Å; K201-D205 PolarHBondContact O-N 2.92Å; K201-D205 VanDerWaalsContact O-OD1 3.1Å
202F92.7Very high92.8Very high113 Ų11353.2 Ų53.250%0.49627%0.27SS..Iπ-helixtrans-57-54.6-172.3-179.6-96.4000114.2V197 V198 Q206V197-F202 PolarHBondContact O-N 3.02Å; V198-F202 PolarHBondContact O-N 3.49Å; F202-Q206 HydrophobicContact CE2-CG 4.46Å; F202-Q206 VanDerWaalsContact CE2-NE2 3.3Å; F202-Q206 VanDerWaalsContact CZ-CD 3.4Å; F202-Q206 HydrophobicContact CZ-CG 4.41Å; F202-Q206 WeakPolarHBondContact O-CB 3.4Å; F202-Q206 WeakPolarHBondContact O-CG 3.13Å; F202-Q206 PolarHBondContact O-N 3.09Å
203N93.8Very high92.7Very high32 Ų3257.9 Ų57.917%0.17130%0.3CS..Iπ-helixtrans-67.3-46.3-176.5-70.9-14.8000111.8M86 L165 V198 E199 K201 Q206 Y207M86-N203 HydrophobicContact CE-CB 3.75Å; M86-N203 HydrophobicContact CG-CB 4.35Å; M86-N203 HydrophobicContact SD-CB 4.13Å; L165-N203 HydrophobicContact CD2-CB 4.05Å; V198-N203 WeakPolarHBondContact O-CB 3.38Å; V198-N203 PolarHBondContact O-N 3.09Å; E199-N203 WeakPolarHBondContact O-CB 3.35Å; K201-N203 PolarHBondContact O-N 2.87Å; N203-Q206 PolarHBondContact O-N 2.88Å; N203-Y207 VanDerWaalsContact O-CB 3.24Å; N203-Y207 WeakPolarHBondContact O-CB 3.4Å; N203-Y207 PolarHBondContact O-N 2.94Å
204L95.8Very high92.7Very high0 Ų058.6 Ų58.60%032%0.32CS..Hα-helixtrans-58.1-50.1177.3-178.862000111.5F160 L165 I168 L169 L189 E199 L200 K201 Q206 Y207 V208 I218F160-L204 HydrophobicContact CE1-CD2 4.36Å; F160-L204 HydrophobicContact CE2-CD2 4.23Å; F160-L204 HydrophobicContact CZ-CD2 3.66Å; L165-L204 HydrophobicContact CD1-CB 4Å; L165-L204 HydrophobicContact CD1-CD1 3.91Å; L165-L204 HydrophobicContact CD1-CG 4.48Å; I168-L204 HydrophobicContact CG2-CD1 4.36Å; L169-L204 HydrophobicContact CD2-CD1 3.75Å; L189-L204 HydrophobicContact CD1-CD1 4.12Å; L189-L204 HydrophobicContact CD1-CD2 4.34Å; L189-L204 HydrophobicContact CD1-CG 4.49Å; E199-L204 PolarHBondContact O-N 3.48Å; E199-L204 VanDerWaalsContact O-N 3.07Å; L200-L204 WeakPolarHBondContact O-CD2 3.26Å; K201-L204 PolarHBondContact O-N 2.81Å; L204-Q206 PolarHBondContact O-N 2.87Å; L204-Y207 PolarHBondContact O-N 2.78Å; L204-V208 HydrophobicContact CD1-CG1 3.9Å; L204-V208 WeakPolarHBondContact O-CG2 3.15Å; L204-V208 PolarHBondContact O-N 2.8Å; L204-I218 HydrophobicContact CD2-CD1 4.47Å; L204-I218 HydrophobicContact CG-CD1 4.18Å
205D94.6Very high92.8Very high56 Ų5660.6 Ų60.630%0.29933%0.331SS..Hα-helixtrans-58.2-48.6178.8-75.722000110.7K201 Y207 N209 I218 R220K201-D205 VanDerWaalsContact O-CB 3.24Å; K201-D205 WeakPolarHBondContact O-CB 3.3Å; K201-D205 PolarHBondContact O-N 2.92Å; K201-D205 VanDerWaalsContact O-OD1 3.1Å; D205-Y207 VanDerWaalsContact C-N 3.34Å; D205-Y207 PolarHBondContact O-N 3.19Å; D205-N209 WeakPolarHBondContact O-CB 3.23Å; D205-N209 PolarHBondContact O-N 3.07Å; D205-N209 VanDerWaalsContact O-N 3.11Å; D205-N209 PolarHBondContact O-ND2 3.43Å; D205-I218 HydrophobicContact CB-CD1 4.41Å; D205-I218 WeakPolarHBondContact OD1-CD1 3.42Å; D205-R220 IonicContact OD1-CZ 3.75Å; D205-R220 IonicContact OD1-NE 2.88Å; D205-R220 IonicContact OD1-NH2 3.7Å; D205-R220 PolarHBondContact OD1-NH2 3.14Å
206Q93.6Very high93.2Very high80 Ų8055.2 Ų55.237%0.37430%0.302SS..Hα-helixtrans-62.6-42.2179.5-76.8-164.1-15.200112.4F202 N203 L204 K210F202-Q206 HydrophobicContact CE2-CG 4.46Å; F202-Q206 VanDerWaalsContact CE2-NE2 3.3Å; F202-Q206 VanDerWaalsContact CZ-CD 3.4Å; F202-Q206 HydrophobicContact CZ-CG 4.41Å; F202-Q206 WeakPolarHBondContact O-CB 3.4Å; F202-Q206 WeakPolarHBondContact O-CG 3.13Å; F202-Q206 PolarHBondContact O-N 3.09Å; N203-Q206 PolarHBondContact O-N 2.88Å; L204-Q206 PolarHBondContact O-N 2.87Å; Q206-K210 WeakPolarHBondContact O-CB 3.28Å; Q206-K210 VanDerWaalsContact O-CG 3.27Å; Q206-K210 WeakPolarHBondContact O-CG 3.42Å; Q206-K210 PolarHBondContact O-N 3.15Å
207Y94.8Very high93.7Very high5 Ų557.6 Ų57.62%0.0231%0.307CS..Hα-helixtrans-65-55.1-177.4-175.2-87.4000111L82 A83 M86 E90 L169 H173 N203 L204 D205 N209 K210 R211 Y212L82-Y207 HydrophobicContact CB-CD2 3.8Å; L82-Y207 HydrophobicContact CB-CE2 3.59Å; A83-Y207 HydrophobicContact CB-CD2 4.48Å; A83-Y207 HydrophobicContact CB-CE2 3.74Å; M86-Y207 HydrophobicContact SD-CD2 4.07Å; E90-Y207 WeakPolarHBondContact OE1-CE2 3.34Å; E90-Y207 PolarHBondContact OE1-OH 2.79Å; L169-Y207 HydrophobicContact CD1-CD1 3.82Å; L169-Y207 HydrophobicContact CD1-CD2 4.36Å; L169-Y207 HydrophobicContact CD1-CE1 4Å; L169-Y207 HydrophobicContact CD1-CG 4.01Å; L169-Y207 HydrophobicContact CD2-CD1 3.41Å; L169-Y207 VanDerWaalsContact CD2-CD1 3.41Å; L169-Y207 HydrophobicContact CD2-CE1 3.73Å; L169-Y207 HydrophobicContact CD2-CG 4.27Å; L169-Y207 HydrophobicContact CG-CD1 4.25Å; L169-Y207 HydrophobicContact CG-CE1 4.37Å; H173-Y207 PolarHBondContact CE1-OH 2.66Å; H173-Y207 AromaticContact NE2-CE1 3.65Å; H173-Y207 AromaticContact NE2-CZ 3.67Å; H173-Y207 PolarHBondContact NE2-OH 3.19Å; N203-Y207 VanDerWaalsContact O-CB 3.24Å; N203-Y207 WeakPolarHBondContact O-CB 3.4Å; N203-Y207 PolarHBondContact O-N 2.94Å; L204-Y207 PolarHBondContact O-N 2.78Å; D205-Y207 VanDerWaalsContact C-N 3.34Å; D205-Y207 PolarHBondContact O-N 3.19Å; Y207-N209 PolarHBondContact O-N 2.83Å; Y207-K210 PolarHBondContact O-N 2.47Å; Y207-R211 HydrophobicContact CD1-CB 4.49Å; Y207-R211 HydrophobicContact CE1-CB 4.13Å; Y207-R211 HydrophobicContact CE1-CG 4.26Å; Y207-R211 VanDerWaalsContact O-CB 3.32Å; Y207-R211 WeakPolarHBondContact O-CB 3.49Å; Y207-R211 PolarHBondContact O-N 2.87Å; Y207-Y212 HydrophobicContact CE1-CE2 4.29Å
208V95.4Very high94.3Very high0 Ų055.2 Ų55.20%029%0.291CS..Hα-helixtrans-69.5-34.9-174.8-55.20000112.4L169 L189 L204 K210 Y212 V216 I218L169-V208 HydrophobicContact CD2-CG1 4.13Å; L189-V208 HydrophobicContact CD1-CG1 4.19Å; L204-V208 HydrophobicContact CD1-CG1 3.9Å; L204-V208 WeakPolarHBondContact O-CG2 3.15Å; L204-V208 PolarHBondContact O-N 2.8Å; V208-K210 VanDerWaalsContact C-N 3.31Å; V208-K210 PolarHBondContact O-N 3.42Å; V208-Y212 CarbonylContact O-C 3.55Å; V208-Y212 WeakPolarHBondContact O-CA 3.26Å; V208-Y212 PolarHBondContact O-N 2.88Å; V208-V216 HydrophobicContact CB-CB 4.05Å; V208-V216 HydrophobicContact CB-CG1 3.78Å; V208-V216 HydrophobicContact CG1-CG1 4.04Å; V208-V216 HydrophobicContact CG2-CB 4.44Å; V208-V216 HydrophobicContact CG2-CG1 3.96Å; V208-I218 HydrophobicContact CG2-CD1 3.66Å; V208-I218 HydrophobicContact CG2-CG1 4.11Å
209N93.6Very high94.7Very high99 Ų9952.5 Ų52.553%0.52928%0.275SS..Hα-helixtrans-66.2-34.4176.9-75-38.9000112.2D205 Y207D205-N209 WeakPolarHBondContact O-CB 3.23Å; D205-N209 PolarHBondContact O-N 3.07Å; D205-N209 VanDerWaalsContact O-N 3.11Å; D205-N209 PolarHBondContact O-ND2 3.43Å; Y207-N209 PolarHBondContact O-N 2.83Å
210K92.8Very high95Very high126 Ų12652.3 Ų52.355%0.54827%0.271SS..Hα-helixtrans-79.8-43.6177-73.4178.1-179.3176.20112.3L82 Q206 Y207 V208L82-K210 HydrophobicContact CD1-CB 3.86Å; L82-K210 HydrophobicContact CD2-CB 4.25Å; L82-K210 HydrophobicContact CD2-CD 3.75Å; Q206-K210 WeakPolarHBondContact O-CB 3.28Å; Q206-K210 VanDerWaalsContact O-CG 3.27Å; Q206-K210 WeakPolarHBondContact O-CG 3.42Å; Q206-K210 PolarHBondContact O-N 3.15Å; Y207-K210 PolarHBondContact O-N 2.47Å; V208-K210 VanDerWaalsContact C-N 3.31Å; V208-K210 PolarHBondContact O-N 3.42Å
211R93.2Very high95.2Very high51 Ų5152.7 Ų52.719%0.19227%0.273CS..Hα-helixtrans-81.2-36.8-172.9-17167.1177.693.5-3.7113.2L82 Y207 P213L82-R211 HydrophobicContact CD1-CB 4.03Å; Y207-R211 HydrophobicContact CD1-CB 4.49Å; Y207-R211 HydrophobicContact CE1-CB 4.13Å; Y207-R211 HydrophobicContact CE1-CG 4.26Å; Y207-R211 VanDerWaalsContact O-CB 3.32Å; Y207-R211 WeakPolarHBondContact O-CB 3.49Å; Y207-R211 PolarHBondContact O-N 2.87Å; R211-P213 VanDerWaalsContact C-CD 3.44Å
212Y95.1Very high95.3Very high14 Ų1457.6 Ų57.66%0.05530%0.302CS..SBendtrans-130.255.2-172-56.6-65.5000112.3V172 H173 V176 Y207 V208 G214 L215 V216V172-Y212 HydrophobicContact CG1-CD2 3.95Å; V172-Y212 HydrophobicContact CG1-CE2 3.71Å; H173-Y212 AromaticContact CD2-CZ 3.98Å; H173-Y212 PolarHBondContact CD2-OH 3.13Å; H173-Y212 PolarHBondContact CE1-OH 2.71Å; H173-Y212 PolarHBondContact ND1-OH 2.87Å; H173-Y212 AromaticContact NE2-CE2 3.81Å; H173-Y212 AromaticContact NE2-CZ 3.78Å; H173-Y212 PolarHBondContact NE2-OH 2.78Å; V176-Y212 HydrophobicContact CB-CE1 4.32Å; V176-Y212 HydrophobicContact CG1-CE1 4Å; V176-Y212 HydrophobicContact CG2-CD1 4.27Å; V176-Y212 HydrophobicContact CG2-CE1 3.99Å; Y207-Y212 HydrophobicContact CE1-CE2 4.29Å; V208-Y212 CarbonylContact O-C 3.55Å; V208-Y212 WeakPolarHBondContact O-CA 3.26Å; V208-Y212 PolarHBondContact O-N 2.88Å; Y212-G214 PolarHBondContact O-N 3.48Å; Y212-L215 HydrophobicContact CD1-CD2 4.36Å; Y212-L215 PolarHBondContact O-N 3.5Å; Y212-L215 VanDerWaalsContact O-N 3.11Å; Y212-V216 VanDerWaalsContact CB-CG2 3.45Å; Y212-V216 HydrophobicContact CD2-CG2 3.91Å; Y212-V216 HydrophobicContact CG-CG2 3.85Å; Y212-V216 PolarHBondContact O-N 3.12Å
213P94.5Very high95.3Very high100 Ų10058.3 Ų58.365%0.64931%0.305SS*.THydrogen-bonded Turntrans-58.9121.9-173.125.9-35.2000111.6R211 L215R211-P213 VanDerWaalsContact C-CD 3.44Å; P213-L215 PolarHBondContact O-N 2.9Å; P213-L215 VanDerWaalsContact O-N 3.17Å
214G93.3Very high95.3Very high68 Ų6861.3 Ų61.370%0.70131%0.314SS*.THydrogen-bonded Turntrans77.6-15.9179.100000115.6Y212Y212-G214 PolarHBondContact O-N 3.48Å
215L97.8Very high95.1Very high43 Ų4362.9 Ų62.923%0.22532%0.321CS..THydrogen-bonded Turntrans-85.2-43.7177.5-178.967.5000111.7V176 L184 E186 I187 Y212 P213V176-L215 HydrophobicContact CG2-CD2 4Å; L184-L215 HydrophobicContact CD2-CD1 4.42Å; L184-L215 HydrophobicContact CD2-CD2 4.43Å; L184-L215 HydrophobicContact CG-CD1 4.3Å; E186-L215 CarbonylContact C-O 3.56Å; E186-L215 WeakPolarHBondContact CA-O 3.29Å; I187-L215 PolarHBondContact N-O 2.8Å; Y212-L215 HydrophobicContact CD1-CD2 4.36Å; Y212-L215 PolarHBondContact O-N 3.5Å; Y212-L215 VanDerWaalsContact O-N 3.11Å; P213-L215 PolarHBondContact O-N 2.9Å; P213-L215 VanDerWaalsContact O-N 3.17Å
216V98.4Very high95Very high6 Ų660.3 Ų60.34%0.03631%0.308CS..EExtended strand (participates in β ladder)trans-99.3129.5179.4-178.70000109.9V172 I187 L189 V208 Y212V172-V216 HydrophobicContact CG1-CG2 3.99Å; I187-V216 HydrophobicContact CB-CG2 4.08Å; I187-V216 HydrophobicContact CD1-CG2 4.12Å; I187-V216 CarbonylContact O-C 3.56Å; I187-V216 WeakPolarHBondContact O-CA 3.32Å; L189-V216 HydrophobicContact CD1-CG1 3.81Å; L189-V216 HydrophobicContact CG-CG1 3.93Å; V208-V216 HydrophobicContact CB-CB 4.05Å; V208-V216 HydrophobicContact CB-CG1 3.78Å; V208-V216 HydrophobicContact CG1-CG1 4.04Å; V208-V216 HydrophobicContact CG2-CB 4.44Å; V208-V216 HydrophobicContact CG2-CG1 3.96Å; Y212-V216 VanDerWaalsContact CB-CG2 3.45Å; Y212-V216 HydrophobicContact CD2-CG2 3.91Å; Y212-V216 HydrophobicContact CG-CG2 3.85Å; Y212-V216 PolarHBondContact O-N 3.12Å
217K97.4Very high94.9Very high89 Ų8957.8 Ų57.839%0.38730%0.297SS..EExtended strand (participates in β ladder)trans-118.9144.4176.9-62.3176.9-178.5175.70109.4E186 I187 I188 L189E186-K217 VanDerWaalsContact OE2-CE 3.24Å; E186-K217 WeakPolarHBondContact OE2-CE 3.35Å; E186-K217 IonicContact OE2-NZ 2.82Å; E186-K217 PolarHBondContact OE2-NZ 2.92Å; I187-K217 PolarHBondContact O-N 3.41Å; I188-K217 WeakPolarHBondContact CA-O 3.46Å; L189-K217 PolarHBondContact N-O 3.18Å
218I98Very high94.8Very high45 Ų4557.6 Ų57.623%0.23130%0.296CS..EExtended strand (participates in β ladder)trans-115129176.5-56.9178.9000109.2L189 L204 D205 V208 R220L189-I218 HydrophobicContact CB-CG1 4.28Å; L189-I218 HydrophobicContact CD1-CG1 4.36Å; L189-I218 CarbonylContact O-C 3.47Å; L189-I218 WeakPolarHBondContact O-CA 3.25Å; L204-I218 HydrophobicContact CD2-CD1 4.47Å; L204-I218 HydrophobicContact CG-CD1 4.18Å; D205-I218 HydrophobicContact CB-CD1 4.41Å; D205-I218 WeakPolarHBondContact OD1-CD1 3.42Å; V208-I218 HydrophobicContact CG2-CD1 3.66Å; V208-I218 HydrophobicContact CG2-CG1 4.11Å; I218-R220 HydrophobicContact CG2-CG 4.14Å; I218-R220 VanDerWaalsContact CG2-NE 3.3Å
219V98Very high94.8Very high37 Ų3760.6 Ų60.622%0.22431%0.308CS..EExtended strand (participates in β ladder)trans-112120.7173.2178.30000107.7I188 L189 V190 D191 H233 A237I188-V219 HydrophobicContact CG2-CG2 3.88Å; L189-V219 PolarHBondContact O-N 3.24Å; V190-V219 CarbonylContact C-O 3.42Å; V190-V219 WeakPolarHBondContact CA-O 3.38Å; V190-V219 HydrophobicContact CG1-CB 4.49Å; V190-V219 HydrophobicContact CG1-CG1 4.44Å; V190-V219 HydrophobicContact CG2-CB 4.38Å; D191-V219 PolarHBondContact N-O 2.8Å; V219-H233 HydrophobicContact CG1-CB 4.47Å; V219-A237 HydrophobicContact CG2-CB 3.78Å
220R97.4Very high94.9Very high71 Ų7155.9 Ų55.927%0.26828%0.282SS..EExtended strand (participates in β ladder)trans-106.8122.2-178.9-60.2-69.5-177.1-173.3-13.2109.9D191 L200 D205 I218D191-R220 VanDerWaalsContact CB-NH1 3.29Å; D191-R220 VanDerWaalsContact OD2-CD 3.28Å; D191-R220 WeakPolarHBondContact OD2-CD 3.45Å; D191-R220 IonicContact OD2-CZ 2.82Å; D191-R220 IonicContact OD2-NE 3.89Å; D191-R220 IonicContact OD2-NH1 3.66Å; D191-R220 PolarHBondContact OD2-NH1 3.28Å; L200-R220 PolarHBondContact O-NH1 2.9Å; L200-R220 PolarHBondContact O-NH2 3.03Å; D205-R220 IonicContact OD1-CZ 3.75Å; D205-R220 IonicContact OD1-NE 2.88Å; D205-R220 IonicContact OD1-NH2 3.7Å; D205-R220 PolarHBondContact OD1-NH2 3.14Å; I218-R220 HydrophobicContact CG2-CG 4.14Å; I218-R220 VanDerWaalsContact CG2-NE 3.3Å
221N96.4Very high95.1Very high10 Ų1049.9 Ų49.95%0.05326%0.256CS..  trans-76.5141.9169.9-68-13000110.4D191 D192 K223 E225 H233D191-N221 WeakPolarHBondContact O-CB 3.35Å; D191-N221 PolarHBondContact O-N 3.06Å; D192-N221 PolarHBondContact OD1-ND2 2.94Å; N221-K223 VanDerWaalsContact C-N 3.28Å; N221-K223 WeakPolarHBondContact CB-O 3.41Å; N221-K223 PolarHBondContact O-N 3.34Å; N221-E225 HydrophobicContact CB-CG 4.32Å; N221-H233 PolarHBondContact OD1-ND1 2.93Å
222N94.3Very high95.3Very high165 Ų16548.5 Ų48.588%0.88225%0.252SS*.SBendtrans-78.2-14.3178.4-65.6-30.1000113.3
223K94.2Very high95.4Very high127 Ų12750.5 Ų50.555%0.55226%0.262SS*.SBendtrans-149.6166.7177.764.9177.7-177.11760109N193 N221 E225N193-K223 VanDerWaalsContact CB-C 3.44Å; N193-K223 WeakPolarHBondContact CB-O 3.5Å; N221-K223 VanDerWaalsContact C-N 3.28Å; N221-K223 WeakPolarHBondContact CB-O 3.41Å; N221-K223 PolarHBondContact O-N 3.34Å; K223-E225 VanDerWaalsContact CE-CD 3.4Å; K223-E225 WeakPolarHBondContact CE-OE1 3.36Å; K223-E225 HydrophobicContact CG-CG 4.38Å; K223-E225 WeakPolarHBondContact CG-OE1 3.38Å; K223-E225 IonicContact NZ-OE1 2.83Å; K223-E225 PolarHBondContact O-N 2.94Å; K223-E225 VanDerWaalsContact O-N 3.16Å
224R92.1Very high95.6Very high95 Ų9545.7 Ų45.736%0.35823%0.231SC..  trans-70.8107.4174.7-170.368.4-168.4-105.2-6.9110.1V161 D192V161-R224 VanDerWaalsContact CG2-CZ 3.41Å; D192-R224 WeakPolarHBondContact O-CD 3.24Å; D192-R224 VanDerWaalsContact OD2-CD 3.23Å; D192-R224 WeakPolarHBondContact OD2-CD 3.38Å; D192-R224 IonicContact OD2-CZ 3.03Å; D192-R224 IonicContact OD2-NE 4Å; D192-R224 PolarHBondContact OD2-NE 3.17Å
225E93.1Very high95.8Very high33 Ų3344.4 Ų44.415%0.15421%0.205CC..  trans-93.3-28.5-177.6-66.9-69.1179.900112.4D192 N221 K223 R229D192-E225 WeakPolarHBondContact OD1-CA 3.43Å; D192-E225 WeakPolarHBondContact OD1-CB 3Å; D192-E225 PolarHBondContact OD1-N 3.11Å; N221-E225 HydrophobicContact CB-CG 4.32Å; K223-E225 VanDerWaalsContact CE-CD 3.4Å; K223-E225 WeakPolarHBondContact CE-OE1 3.36Å; K223-E225 HydrophobicContact CG-CG 4.38Å; K223-E225 WeakPolarHBondContact CG-OE1 3.38Å; K223-E225 IonicContact NZ-OE1 2.83Å; K223-E225 PolarHBondContact O-N 2.94Å; K223-E225 VanDerWaalsContact O-N 3.16Å; E225-R229 HydrophobicContact CB-CB 3.76Å; E225-R229 VanDerWaalsContact O-CZ 3.27Å; E225-R229 PolarHBondContact O-NE 3.49Å; E225-R229 PolarHBondContact O-NH2 3.32Å; E225-R229 WeakPolarHBondContact OE2-CD 3.47Å; E225-R229 IonicContact OE2-CZ 3.52Å; E225-R229 IonicContact OE2-NE 2.8Å; E225-R229 PolarHBondContact OE2-NE 2.88Å; E225-R229 VanDerWaalsContact OE2-NE 3.11Å
226G91.3Very high95.9Very high3 Ų347.3 Ų47.33%0.03122%0.221CC..  trans93.8165.8-172.900000112.8D192 I228 R229 A230D192-G226 PolarHBondContact OD1-N 3.31Å; D192-G226 WeakPolarHBondContact OD2-CA 3.47Å; D192-G226 PolarHBondContact OD2-N 3.38Å; G226-I228 VanDerWaalsContact C-N 3.3Å; G226-I228 PolarHBondContact O-N 2.91Å; G226-R229 PolarHBondContact O-N 3.34Å; G226-A230 WeakPolarHBondContact O-CB 3.03Å; G226-A230 PolarHBondContact O-N 3Å
227L91.1Very high95.9Very high26 Ų2648.6 Ų48.614%0.13623%0.232CC..Hα-helixtrans-52.9-48-172.8177.964.4000112I159 A230 R231 V350 Y351I159-L227 HydrophobicContact CB-CD1 4.29Å; I159-L227 HydrophobicContact CG2-CD1 4.18Å; L227-A230 PolarHBondContact O-N 3.43Å; L227-R231 HydrophobicContact CD1-CG 4.45Å; L227-R231 WeakPolarHBondContact O-CG 3.42Å; L227-R231 PolarHBondContact O-N 3.05Å; L227-V350 WeakPolarHBondContact CB-O 3.47Å; L227-V350 PolarHBondContact N-O 3.02Å; L227-V350 VanDerWaalsContact N-O 3.1Å; L227-Y351 HydrophobicContact CD2-CD2 4.05Å; L227-Y351 HydrophobicContact CD2-CE2 4.4Å
228I93.4Very high95.9Very high1 Ų144.7 Ų44.71%0.00522%0.216CC..Hα-helixtrans-59.4-55.7-174.1-65.6117.8000112.3G226 A230 R231 I232 L344 D345 M348 E354G226-I228 VanDerWaalsContact C-N 3.3Å; G226-I228 PolarHBondContact O-N 2.91Å; I228-A230 VanDerWaalsContact C-N 3.34Å; I228-R231 WeakPolarHBondContact O-CB 3.18Å; I228-R231 PolarHBondContact O-N 2.83Å; I228-I232 HydrophobicContact CG2-CD1 4.48Å; I228-I232 PolarHBondContact O-N 3.36Å; I228-L344 HydrophobicContact CB-CD1 4.44Å; I228-L344 HydrophobicContact CG2-CB 3.61Å; I228-L344 HydrophobicContact CG2-CD1 4.08Å; I228-D345 WeakPolarHBondContact CG2-O 3.3Å; I228-M348 HydrophobicContact CD1-CB 3.6Å; I228-M348 HydrophobicContact CG1-CB 4.14Å; I228-E354 HydrophobicContact CD1-CB 4.31Å; I228-E354 HydrophobicContact CG1-CB 3.65Å; I228-E354 HydrophobicContact CG1-CG 3.84Å
229R95.6Very high95.9Very high64 Ų6446.5 Ų46.524%0.24223%0.23CC..Hα-helixtrans-69.4-33.6-178.2-77.9-175.7-71.2-109.32.8111.7E225 G226 R231 I232 H233 P346E225-R229 HydrophobicContact CB-CB 3.76Å; E225-R229 VanDerWaalsContact O-CZ 3.27Å; E225-R229 PolarHBondContact O-NE 3.49Å; E225-R229 PolarHBondContact O-NH2 3.32Å; E225-R229 WeakPolarHBondContact OE2-CD 3.47Å; E225-R229 IonicContact OE2-CZ 3.52Å; E225-R229 IonicContact OE2-NE 2.8Å; E225-R229 PolarHBondContact OE2-NE 2.88Å; E225-R229 VanDerWaalsContact OE2-NE 3.11Å; G226-R229 PolarHBondContact O-N 3.34Å; R229-R231 PolarHBondContact O-N 2.83Å; R229-I232 WeakPolarHBondContact O-CB 3.16Å; R229-I232 PolarHBondContact O-N 2.99Å; R229-I232 VanDerWaalsContact O-N 3.16Å; R229-H233 PolarHBondContact O-CD2 3.01Å; R229-H233 PolarHBondContact O-N 2.79Å; R229-P346 PolarHBondContact NH1-O 2.89Å
230A96.1Very high95.9Very high0 Ų044.9 Ų44.90%022%0.22CC..Hα-helixtrans-62.7-38.8171.500000112.4I159 V190 D192 G226 L227 I228 I232 H233 G234I159-A230 HydrophobicContact CG1-CB 4.27Å; I159-A230 HydrophobicContact CG2-CB 3.5Å; I159-A230 VanDerWaalsContact CG2-CB 3.5Å; V190-A230 HydrophobicContact CG1-CB 3.97Å; D192-A230 HydrophobicContact CB-CB 4.16Å; G226-A230 WeakPolarHBondContact O-CB 3.03Å; G226-A230 PolarHBondContact O-N 3Å; L227-A230 PolarHBondContact O-N 3.43Å; I228-A230 VanDerWaalsContact C-N 3.34Å; A230-I232 VanDerWaalsContact C-N 3.31Å; A230-I232 PolarHBondContact O-N 3.2Å; A230-H233 PolarHBondContact O-N 3.03Å; A230-G234 PolarHBondContact O-N 2.89Å
231R96.6Very high96Very high0 Ų044.7 Ų44.70%023%0.228CC..Hα-helixtrans-59.6-43171.4-55.2-141.3166.5133.6-8.9111.5I159 L227 I228 R229 H233 G234 W235 F245 D247 G328 L344 E354I159-R231 HydrophobicContact CD1-CB 4.24Å; I159-R231 HydrophobicContact CD1-CG 3.58Å; I159-R231 HydrophobicContact CG1-CG 4.16Å; L227-R231 HydrophobicContact CD1-CG 4.45Å; L227-R231 WeakPolarHBondContact O-CG 3.42Å; L227-R231 PolarHBondContact O-N 3.05Å; I228-R231 WeakPolarHBondContact O-CB 3.18Å; I228-R231 PolarHBondContact O-N 2.83Å; R229-R231 PolarHBondContact O-N 2.83Å; R231-H233 VanDerWaalsContact C-N 3.34Å; R231-H233 PolarHBondContact O-N 3.27Å; R231-G234 PolarHBondContact O-N 3.47Å; R231-W235 PolarHBondContact O-N 2.92Å; R231-F245 HydrophobicContact CB-CD1 4.06Å; R231-F245 HydrophobicContact CB-CE1 4.12Å; R231-F245 HydrophobicContact CG-CD1 4.45Å; R231-F245 VanDerWaalsContact O-CE1 3.3Å; R231-F245 WeakPolarHBondContact O-CE1 3.33Å; R231-D247 IonicContact NH2-OD1 3.93Å; R231-G328 PolarHBondContact NH1-O 3.42Å; R231-G328 PolarHBondContact NH2-O 2.82Å; R231-L344 HydrophobicContact CB-CD1 4.03Å; R231-L344 HydrophobicContact CG-CD1 4.11Å; R231-E354 IonicContact NH1-OE1 2.66Å
232I97.4Very high96.1Very high21 Ų2144.4 Ų44.411%0.10823%0.226CC..Hα-helixtrans-62-41.6177.5-66.2169.2000111I228 R229 A230 G234 W235 N236 L343 L344 P346I228-I232 HydrophobicContact CG2-CD1 4.48Å; I228-I232 PolarHBondContact O-N 3.36Å; R229-I232 WeakPolarHBondContact O-CB 3.16Å; R229-I232 PolarHBondContact O-N 2.99Å; R229-I232 VanDerWaalsContact O-N 3.16Å; A230-I232 VanDerWaalsContact C-N 3.31Å; A230-I232 PolarHBondContact O-N 3.2Å; I232-G234 VanDerWaalsContact C-N 3.33Å; I232-G234 PolarHBondContact O-N 3.5Å; I232-W235 WeakPolarHBondContact O-CB 3.34Å; I232-W235 PolarHBondContact O-N 2.72Å; I232-N236 PolarHBondContact O-N 3.42Å; I232-N236 PolarHBondContact O-ND2 2.85Å; I232-L343 HydrophobicContact CG1-CB 4.28Å; I232-L343 HydrophobicContact CG1-CD1 4.33Å; I232-L343 HydrophobicContact CG2-CD1 3.93Å; I232-L344 HydrophobicContact CD1-CB 4.48Å; I232-P346 HydrophobicContact CD1-CB 4.19Å
233H98Very high96.3Very high56 Ų5636.5 Ų36.526%0.25918%0.184SC..Hα-helixtrans-64.4-38.6175.4-65.2178.2000112.2V190 V219 N221 R229 A230 R231 N236 A237V190-H233 HydrophobicContact CG1-CB 4.43Å; V219-H233 HydrophobicContact CG1-CB 4.47Å; N221-H233 PolarHBondContact OD1-ND1 2.93Å; R229-H233 PolarHBondContact O-CD2 3.01Å; R229-H233 PolarHBondContact O-N 2.79Å; A230-H233 PolarHBondContact O-N 3.03Å; R231-H233 VanDerWaalsContact C-N 3.34Å; R231-H233 PolarHBondContact O-N 3.27Å; H233-N236 PolarHBondContact O-N 3.44Å; H233-A237 PolarHBondContact O-N 2.99Å
234G98.2Very high96.5Very high0 Ų030.5 Ų30.50%016%0.158CC..Hα-helixtrans-62.7-42.6172.100000112.9A230 R231 I232 A237 A238A230-G234 PolarHBondContact O-N 2.89Å; R231-G234 PolarHBondContact O-N 3.47Å; I232-G234 VanDerWaalsContact C-N 3.33Å; I232-G234 PolarHBondContact O-N 3.5Å; G234-A237 PolarHBondContact O-N 3.2Å; G234-A238 PolarHBondContact O-N 2.73Å; G234-A238 VanDerWaalsContact O-N 3.11Å
235W98.3Very high96.8Very high40 Ų4026 Ų2615%0.15214%0.141CC..Hα-helixtrans-60.2-44.6173.7179.882.2000112.2R231 I232 A237 A238 F245 R335 F338 L343R231-W235 PolarHBondContact O-N 2.92Å; I232-W235 WeakPolarHBondContact O-CB 3.34Å; I232-W235 PolarHBondContact O-N 2.72Å; W235-A237 PolarHBondContact O-N 2.75Å; W235-A238 WeakPolarHBondContact O-CB 3.34Å; W235-A238 PolarHBondContact O-N 3.41Å; W235-A238 VanDerWaalsContact O-N 3.08Å; W235-F245 HydrophobicContact CB-CE1 4.36Å; W235-F245 HydrophobicContact CB-CZ 3.92Å; W235-R335 HydrophobicContact CZ2-CG 4.45Å; W235-R335 PolarHBondContact NE1-O 3.36Å; W235-F338 AromaticContact CD1-CD1 3.64Å; W235-F338 HydrophobicContact CG-CD1 4.17Å; W235-F338 AromaticContact NE1-CD1 3.93Å; W235-L343 HydrophobicContact CD2-CD1 4.29Å; W235-L343 HydrophobicContact CD2-CD2 3.56Å; W235-L343 HydrophobicContact CE3-CD1 3.77Å; W235-L343 HydrophobicContact CE3-CD2 3.89Å; W235-L343 HydrophobicContact CG-CD2 3.98Å; W235-L343 HydrophobicContact CH2-CD2 4.28Å; W235-L343 HydrophobicContact CZ2-CD2 3.97Å; W235-L343 HydrophobicContact CZ3-CD1 3.91Å; W235-L343 HydrophobicContact CZ3-CD2 4.24Å
236N98.1Very high97Very high105 Ų10524.4 Ų24.456%0.56113%0.134SC*.Hα-helixtrans-60.1-32.5177.9-74.7-28.8000112.7I232 H233I232-N236 PolarHBondContact O-N 3.42Å; I232-N236 PolarHBondContact O-ND2 2.85Å; H233-N236 PolarHBondContact O-N 3.44Å
237A98.3Very high97.2Very high33 Ų3325.4 Ų25.427%0.27314%0.138SC..Hα-helixtrans-83.8-17.2178.400000113.3I188 V219 H233 G234 W235I188-A237 HydrophobicContact CD1-CB 4.18Å; I188-A237 HydrophobicContact CG2-CB 4.22Å; V219-A237 HydrophobicContact CG2-CB 3.78Å; H233-A237 PolarHBondContact O-N 2.99Å; G234-A237 PolarHBondContact O-N 3.2Å; W235-A237 PolarHBondContact O-N 2.75Å
238A98.5Very high97.5Very high6 Ų624.2 Ų24.25%0.0513%0.132CC..  trans-76.9136.8-177.900000112.2I188 G234 W235 V243I188-A238 VanDerWaalsContact CD1-CA 3.48Å; I188-A238 HydrophobicContact CD1-CB 3.73Å; G234-A238 PolarHBondContact O-N 2.73Å; G234-A238 VanDerWaalsContact O-N 3.11Å; W235-A238 WeakPolarHBondContact O-CB 3.34Å; W235-A238 PolarHBondContact O-N 3.41Å; W235-A238 VanDerWaalsContact O-N 3.08Å; A238-V243 HydrophobicContact CB-CG1 4.22Å; A238-V243 HydrophobicContact CB-CG2 3.78Å
239T98.4Very high97.6Very high84 Ų8424.7 Ų24.752%0.51513%0.134SC..  trans-116.6-11.1-174.761.80000113.6E186E186-T239 PolarHBondContact OE1-N 2.82Å; E186-T239 PolarHBondContact OE1-OG1 2.85Å
240S98.1Very high97.7Very high2 Ų221.8 Ų21.81%0.01412%0.124CC..SBendtrans-81.4155.8-179-156.10000112.6Q153 I154 S155 V242 R335Q153-S240 VanDerWaalsContact CB-OG 3.29Å; Q153-S240 WeakPolarHBondContact CB-OG 3.37Å; Q153-S240 PolarHBondContact O-OG 3.45Å; I154-S240 PolarHBondContact N-OG 2.95Å; S155-S240 WeakPolarHBondContact OG-CB 3.24Å; S155-S240 PolarHBondContact OG-N 2.82Å; S240-V242 VanDerWaalsContact C-N 3.25Å; S240-V242 PolarHBondContact O-N 2.77Å; S240-R335 WeakPolarHBondContact O-CD 3.44Å
241P98.2Very high97.8Very high68 Ų6822 Ų2244%0.44213%0.125SC..SBendtrans-60-34.6175.2-25.335.5000113.4P152 R335P152-P241 HydrophobicContact CB-CB 4.42Å; P241-R335 VanDerWaalsContact O-CB 3.32Å; P241-R335 WeakPolarHBondContact O-CB 3.25Å; P241-R335 PolarHBondContact O-N 2.82Å
242V98.8Very high97.9Very high3 Ų322 Ų222%0.01813%0.125CC..EExtended strand (participates in β ladder)trans-110.3138178.1175.90000110.5P152 Q153 I154 S155 S240 L261 M264 V332P152-V242 HydrophobicContact CB-CG2 4.11Å; P152-V242 HydrophobicContact CG-CG2 3.94Å; Q153-V242 PolarHBondContact O-N 3.02Å; I154-V242 WeakPolarHBondContact CA-O 3.41Å; I154-V242 HydrophobicContact CB-CB 4.44Å; I154-V242 HydrophobicContact CB-CG1 4.38Å; I154-V242 HydrophobicContact CD1-CG1 4Å; I154-V242 HydrophobicContact CG1-CB 4.47Å; I154-V242 HydrophobicContact CG1-CG1 4Å; S155-V242 PolarHBondContact N-O 2.88Å; S240-V242 VanDerWaalsContact C-N 3.25Å; S240-V242 PolarHBondContact O-N 2.77Å; V242-L261 HydrophobicContact CB-CD2 3.98Å; V242-L261 HydrophobicContact CG1-CD2 3.8Å; V242-L261 HydrophobicContact CG2-CD2 3.96Å; V242-M264 HydrophobicContact CB-CE 4.25Å; V242-M264 HydrophobicContact CG1-CE 3.67Å; V242-M264 HydrophobicContact CG1-SD 3.64Å; V242-M264 HydrophobicContact CG2-CE 3.72Å; V242-M264 HydrophobicContact CG2-SD 4.19Å; V242-V332 HydrophobicContact CG1-CG1 3.32Å
243V98.8Very high97.9Very high0 Ų021.3 Ų21.30%012%0.121CC..EExtended strand (participates in β ladder)trans-122.3125.3175.1-170.50000110S155 V157 A238 F245 V332 V333 R335S155-V243 WeakPolarHBondContact O-CA 3.42Å; V157-V243 HydrophobicContact CG2-CG1 3.64Å; A238-V243 HydrophobicContact CB-CG1 4.22Å; A238-V243 HydrophobicContact CB-CG2 3.78Å; V243-F245 HydrophobicContact CB-CE2 4.13Å; V243-F245 HydrophobicContact CB-CZ 4.33Å; V243-F245 HydrophobicContact CG1-CD2 4.3Å; V243-F245 HydrophobicContact CG1-CE1 4.08Å; V243-F245 HydrophobicContact CG1-CE2 3.68Å; V243-F245 HydrophobicContact CG1-CZ 3.54Å; V243-V332 WeakPolarHBondContact O-CA 3.37Å; V243-V333 PolarHBondContact N-O 2.86Å; V243-V333 PolarHBondContact O-N 2.88Å; V243-R335 HydrophobicContact CG2-CB 3.88Å; V243-R335 HydrophobicContact CG2-CG 3.82Å
244G98.4Very high97.7Very high0 Ų021.6 Ų21.60%013%0.127CC..EExtended strand (participates in β ladder)trans-105.9121.2172.700000111S155 V156 V157S155-G244 PolarHBondContact O-N 2.77Å; V156-G244 CarbonylContact C-O 3.51Å; V156-G244 WeakPolarHBondContact CA-O 3.38Å; V157-G244 PolarHBondContact N-O 2.87Å
245F98.4Very high97.5Very high0 Ų022 Ų220%013%0.131CC..EExtended strand (participates in β ladder)trans-98130.7174.6-61.1-86000109.7V157 I159 R231 W235 V243 S330 F331 V333 F338V157-F245 HydrophobicContact CB-CD1 3.8Å; V157-F245 HydrophobicContact CB-CE1 4.08Å; V157-F245 HydrophobicContact CG1-CD1 3.93Å; V157-F245 HydrophobicContact CG1-CE1 4.12Å; V157-F245 HydrophobicContact CG2-CD1 4.27Å; V157-F245 HydrophobicContact CG2-CE1 4.07Å; I159-F245 HydrophobicContact CD1-CD1 4.28Å; R231-F245 HydrophobicContact CB-CD1 4.06Å; R231-F245 HydrophobicContact CB-CE1 4.12Å; R231-F245 HydrophobicContact CG-CD1 4.45Å; R231-F245 VanDerWaalsContact O-CE1 3.3Å; R231-F245 WeakPolarHBondContact O-CE1 3.33Å; W235-F245 HydrophobicContact CB-CE1 4.36Å; W235-F245 HydrophobicContact CB-CZ 3.92Å; V243-F245 HydrophobicContact CB-CE2 4.13Å; V243-F245 HydrophobicContact CB-CZ 4.33Å; V243-F245 HydrophobicContact CG1-CD2 4.3Å; V243-F245 HydrophobicContact CG1-CE1 4.08Å; V243-F245 HydrophobicContact CG1-CE2 3.68Å; V243-F245 HydrophobicContact CG1-CZ 3.54Å; F245-S330 CarbonylContact O-C 3.45Å; F245-S330 WeakPolarHBondContact O-CA 3.24Å; F245-S330 WeakPolarHBondContact O-CB 3.46Å; F245-F331 HydrophobicContact CB-CD1 4.02Å; F245-F331 HydrophobicContact CB-CE1 3.65Å; F245-F331 HydrophobicContact CB-CZ 4.02Å; F245-F331 HydrophobicContact CD2-CD1 4.42Å; F245-F331 HydrophobicContact CD2-CD2 4.05Å; F245-F331 AromaticContact CD2-CE1 3.79Å; F245-F331 HydrophobicContact CD2-CE1 3.79Å; F245-F331 AromaticContact CD2-CE2 3.37Å; F245-F331 HydrophobicContact CD2-CE2 3.37Å; F245-F331 AromaticContact CD2-CZ 3.22Å; F245-F331 HydrophobicContact CD2-CZ 3.22Å; F245-F331 AromaticContact CE2-CE2 3.82Å; F245-F331 HydrophobicContact CE2-CE2 3.82Å; F245-F331 AromaticContact CE2-CZ 3.82Å; F245-F331 HydrophobicContact CE2-CZ 3.82Å; F245-F331 AromaticContact CG-CE1 3.9Å; F245-F331 HydrophobicContact CG-CE1 3.9Å; F245-F331 HydrophobicContact CG-CE2 4.3Å; F245-F331 AromaticContact CG-CZ 3.73Å; F245-F331 HydrophobicContact CG-CZ 3.73Å; F245-F331 PolarHBondContact N-O 3.26Å; F245-F331 PolarHBondContact O-N 2.88Å; F245-V333 HydrophobicContact CD2-CG1 4.5Å; F245-V333 HydrophobicContact CE2-CG1 4Å; F245-F338 HydrophobicContact CE2-CD1 4.3Å; F245-F338 HydrophobicContact CE2-CE1 4.03Å; F245-F338 HydrophobicContact CZ-CD1 4.43Å; F245-F338 HydrophobicContact CZ-CE1 4.07Å
246F97.8Very high97.4Very high0 Ų020.1 Ų20.10%012%0.124CC..EExtended strand (participates in β ladder)trans-139.2148.5179.9-63-91.9000110.2V156 V157 F158 V250 F252 W256 P274 C329 V332 V377V156-F246 HydrophobicContact CG1-CD2 3.79Å; V156-F246 HydrophobicContact CG1-CE2 4.19Å; V157-F246 PolarHBondContact O-N 2.63Å; F158-F246 WeakPolarHBondContact CA-O 3.31Å; F158-F246 HydrophobicContact CD1-CB 3.7Å; F158-F246 HydrophobicContact CE1-CB 3.58Å; F158-F246 HydrophobicContact CE1-CG 4.3Å; F246-V250 HydrophobicContact CB-CG2 4.24Å; F246-F252 HydrophobicContact CB-CZ 4.37Å; F246-F252 AromaticContact CD1-CE1 3.9Å; F246-F252 HydrophobicContact CD1-CE1 3.9Å; F246-F252 AromaticContact CD1-CZ 3.62Å; F246-F252 HydrophobicContact CD1-CZ 3.62Å; F246-F252 HydrophobicContact CD2-CE1 4.3Å; F246-F252 AromaticContact CD2-CZ 3.83Å; F246-F252 HydrophobicContact CD2-CZ 3.83Å; F246-F252 AromaticContact CE1-CE1 3.57Å; F246-F252 HydrophobicContact CE1-CE1 3.57Å; F246-F252 AromaticContact CE1-CZ 3.8Å; F246-F252 HydrophobicContact CE1-CZ 3.8Å; F246-F252 AromaticContact CE2-CE1 3.98Å; F246-F252 HydrophobicContact CE2-CE1 3.98Å; F246-F252 AromaticContact CE2-CZ 3.97Å; F246-F252 HydrophobicContact CE2-CZ 3.97Å; F246-F252 HydrophobicContact CG-CE1 4.28Å; F246-F252 AromaticContact CG-CZ 3.66Å; F246-F252 HydrophobicContact CG-CZ 3.66Å; F246-F252 AromaticContact CZ-CE1 3.63Å; F246-F252 HydrophobicContact CZ-CE1 3.63Å; F246-F252 AromaticContact CZ-CZ 3.99Å; F246-F252 HydrophobicContact CZ-CZ 3.99Å; F246-W256 HydrophobicContact CE1-CZ3 4.4Å; F246-W256 AromaticContact CE2-CH2 3.99Å; F246-W256 HydrophobicContact CE2-CH2 3.99Å; F246-W256 HydrophobicContact CE2-CZ3 4.16Å; F246-W256 HydrophobicContact CZ-CE3 4.4Å; F246-W256 AromaticContact CZ-CH2 3.81Å; F246-W256 HydrophobicContact CZ-CH2 3.81Å; F246-W256 AromaticContact CZ-CZ3 3.52Å; F246-W256 HydrophobicContact CZ-CZ3 3.52Å; F246-P274 HydrophobicContact CE1-CG 4.13Å; F246-C329 WeakPolarHBondContact CA-O 3.45Å; F246-V332 HydrophobicContact CE2-CG2 4.39Å; F246-V332 HydrophobicContact CZ-CG2 3.96Å; F246-V377 HydrophobicContact CE1-CG2 4.18Å
247D95.5Very high97.4Very high25 Ų2515.1 Ų15.113%0.13410%0.097CC..EExtended strand (participates in β ladder)trans-61.9151.7163.7-70.7-6.5000110F158 R231 H249 V250 C329 H379F158-D247 WeakPolarHBondContact CD1-O 3.34Å; R231-D247 IonicContact NH2-OD1 3.93Å; D247-H249 PolarHBondContact O-N 2.98Å; D247-H249 VanDerWaalsContact O-N 3.1Å; D247-H249 IonicContact OD2-NE2 2.82Å; D247-V250 HydrophobicContact CB-CG1 4.43Å; D247-V250 WeakPolarHBondContact O-CG2 3.37Å; D247-C329 PolarHBondContact N-O 3.3Å; D247-C329 WeakPolarHBondContact OD2-CA 3.3Å; D247-H379 IonicContact OD2-CD2 2.82Å; D247-H379 IonicContact OD2-CE1 3.61Å; D247-H379 IonicContact OD2-NE2 3.43Å; D247-H379 PolarHBondContact OD2-NE2 3.26Å
248A95.9Very high97.4Very high0 Ų015.4 Ų15.40%09%0.093CC..SBendtrans-779.9-177.800000115F158 F160 E163 V167 I168 S171F158-A248 HydrophobicContact CB-CB 4.32Å; F160-A248 HydrophobicContact CB-CB 3.61Å; E163-A248 HydrophobicContact CG-CB 4.22Å; V167-A248 CarbonylContact C-O 3.53Å; I168-A248 HydrophobicContact CG1-CB 4.33Å; S171-A248 VanDerWaalsContact OG-C 3.29Å; S171-A248 PolarHBondContact OG-O 3.45Å
249H96.8Very high97.4Very high11 Ų1115.5 Ų15.55%0.0519%0.093CC..SBendtrans-129.458.7-17643.8-89.8000111E163 V167 D247 H379 I380 R382E163-H249 IonicContact OE2-CE1 3.71Å; E163-H249 PolarHBondContact OE2-CE1 3.13Å; E163-H249 IonicContact OE2-CG 2.78Å; E163-H249 IonicContact OE2-ND1 3.76Å; E163-H249 PolarHBondContact OE2-ND1 2.79Å; V167-H249 VanDerWaalsContact CG1-CA 3.42Å; V167-H249 HydrophobicContact CG1-CB 3.29Å; D247-H249 PolarHBondContact O-N 2.98Å; D247-H249 VanDerWaalsContact O-N 3.1Å; D247-H249 IonicContact OD2-NE2 2.82Å; H249-H379 AromaticContact CD2-CD2 3.82Å; H249-H379 AromaticContact CD2-CE1 3.72Å; H249-H379 AromaticContact CD2-NE2 3.27Å; H249-H379 PolarHBondContact CD2-NE2 3.5Å; H249-H379 VanDerWaalsContact CD2-NE2 3.27Å; H249-H379 AromaticContact NE2-CE1 3.7Å; H249-H379 AromaticContact NE2-NE2 3.23Å; H249-H379 PolarHBondContact NE2-NE2 3.47Å; H249-I380 HydrophobicContact CB-CB 4.29Å; H249-I380 HydrophobicContact CB-CD1 3.97Å; H249-I380 HydrophobicContact CB-CG1 4.19Å; H249-I380 PolarHBondContact O-N 2.93Å; H249-I380 VanDerWaalsContact O-N 3.13Å; H249-R382 PolarHBondContact CE1-NH2 3.1Å; H249-R382 PolarHBondContact ND1-NH2 3.1Å
250V98.1Very high97.4Very high3 Ų311.5 Ų11.52%0.0187%0.068CC..EExtended strand (participates in β ladder)trans-131.3156.3-178.4-63.50000111.8F158 S171 F246 D247 F252 V377 A378 H379F158-V250 HydrophobicContact CE1-CG2 3.75Å; S171-V250 VanDerWaalsContact CA-O 3.26Å; S171-V250 WeakPolarHBondContact CA-O 3.48Å; S171-V250 WeakPolarHBondContact CB-O 3.38Å; S171-V250 PolarHBondContact OG-N 2.88Å; S171-V250 VanDerWaalsContact OG-N 3.1Å; S171-V250 PolarHBondContact OG-O 2.97Å; F246-V250 HydrophobicContact CB-CG2 4.24Å; D247-V250 HydrophobicContact CB-CG1 4.43Å; D247-V250 WeakPolarHBondContact O-CG2 3.37Å; V250-F252 HydrophobicContact CG2-CD2 4.26Å; V250-F252 HydrophobicContact CG2-CE2 3.54Å; V250-F252 HydrophobicContact CG2-CZ 4.11Å; V250-V377 HydrophobicContact CB-CG1 3.72Å; V250-V377 HydrophobicContact CG1-CG1 4.12Å; V250-V377 HydrophobicContact CG2-CG1 4.29Å; V250-A378 CarbonylContact C-O 3.53Å; V250-A378 WeakPolarHBondContact CA-O 3.1Å; V250-A378 WeakPolarHBondContact CB-O 3.04Å; V250-H379 HydrophobicContact CG1-CB 4.23Å
251E98.3Very high97.4Very high6 Ų611.4 Ų11.43%0.0287%0.068CC..EExtended strand (participates in β ladder)trans-128.2121.2171.2-69.1176.6-124.300109.9R132 I134 R170 I279 A378R132-E251 IonicContact CZ-OE1 3.2Å; R132-E251 VanDerWaalsContact CZ-OE1 3.31Å; R132-E251 IonicContact CZ-OE2 2.66Å; R132-E251 IonicContact NE-OE1 3.76Å; R132-E251 PolarHBondContact NE-OE1 3.02Å; R132-E251 IonicContact NE-OE2 2.76Å; R132-E251 PolarHBondContact NE-OE2 3.43Å; R132-E251 IonicContact NH2-OE1 3.45Å; R132-E251 PolarHBondContact NH2-OE1 3.18Å; R132-E251 IonicContact NH2-OE2 2.77Å; I134-E251 HydrophobicContact CD1-CB 4.14Å; I134-E251 HydrophobicContact CG2-CB 4.34Å; I134-E251 VanDerWaalsContact CG2-OE2 3.27Å; I134-E251 WeakPolarHBondContact CG2-OE2 3.37Å; R170-E251 WeakPolarHBondContact CD-OE1 3.31Å; R170-E251 HydrophobicContact CG-CG 4.16Å; E251-I279 HydrophobicContact CB-CD1 4.19Å; E251-I279 HydrophobicContact CG-CD1 4.06Å; E251-A378 HydrophobicContact CB-CB 4.48Å; E251-A378 PolarHBondContact N-O 2.69Å; E251-A378 PolarHBondContact O-N 3.14Å
252F98.3Very high97.4Very high0 Ų09.2 Ų9.20%05%0.053CC..EExtended strand (participates in β ladder)trans-79.5136.1-176.7-69.5-98.5000111.2V156 F158 S174 V175 H178 F246 V250 W256 V377V156-F252 HydrophobicContact CG1-CZ 4.44Å; F158-F252 AromaticContact CE1-CE2 3.79Å; F158-F252 HydrophobicContact CE1-CE2 3.79Å; F158-F252 HydrophobicContact CE1-CZ 4.06Å; F158-F252 AromaticContact CZ-CE2 3.61Å; F158-F252 HydrophobicContact CZ-CE2 3.61Å; F158-F252 HydrophobicContact CZ-CZ 4.05Å; S174-F252 PolarHBondContact OG-N 3.16Å; V175-F252 HydrophobicContact CB-CD2 3.62Å; V175-F252 HydrophobicContact CB-CE2 3.75Å; V175-F252 HydrophobicContact CB-CG 4.12Å; V175-F252 HydrophobicContact CB-CZ 4.29Å; V175-F252 HydrophobicContact CG2-CD1 4.35Å; V175-F252 HydrophobicContact CG2-CD2 4.15Å; V175-F252 HydrophobicContact CG2-CE1 4.26Å; V175-F252 HydrophobicContact CG2-CE2 4.09Å; V175-F252 HydrophobicContact CG2-CG 4.28Å; V175-F252 HydrophobicContact CG2-CZ 4.12Å; H178-F252 HydrophobicContact CB-CB 4.41Å; H178-F252 PolarHBondContact ND1-O 3.11Å; H178-F252 VanDerWaalsContact ND1-O 3.17Å; F246-F252 HydrophobicContact CB-CZ 4.37Å; F246-F252 AromaticContact CD1-CE1 3.9Å; F246-F252 HydrophobicContact CD1-CE1 3.9Å; F246-F252 AromaticContact CD1-CZ 3.62Å; F246-F252 HydrophobicContact CD1-CZ 3.62Å; F246-F252 HydrophobicContact CD2-CE1 4.3Å; F246-F252 AromaticContact CD2-CZ 3.83Å; F246-F252 HydrophobicContact CD2-CZ 3.83Å; F246-F252 AromaticContact CE1-CE1 3.57Å; F246-F252 HydrophobicContact CE1-CE1 3.57Å; F246-F252 AromaticContact CE1-CZ 3.8Å; F246-F252 HydrophobicContact CE1-CZ 3.8Å; F246-F252 AromaticContact CE2-CE1 3.98Å; F246-F252 HydrophobicContact CE2-CE1 3.98Å; F246-F252 AromaticContact CE2-CZ 3.97Å; F246-F252 HydrophobicContact CE2-CZ 3.97Å; F246-F252 HydrophobicContact CG-CE1 4.28Å; F246-F252 AromaticContact CG-CZ 3.66Å; F246-F252 HydrophobicContact CG-CZ 3.66Å; F246-F252 AromaticContact CZ-CE1 3.63Å; F246-F252 HydrophobicContact CZ-CE1 3.63Å; F246-F252 AromaticContact CZ-CZ 3.99Å; F246-F252 HydrophobicContact CZ-CZ 3.99Å; V250-F252 HydrophobicContact CG2-CD2 4.26Å; V250-F252 HydrophobicContact CG2-CE2 3.54Å; V250-F252 HydrophobicContact CG2-CZ 4.11Å; F252-W256 AromaticContact CD1-CD1 3.92Å; F252-W256 AromaticContact CD1-CD2 3.46Å; F252-W256 HydrophobicContact CD1-CD2 3.46Å; F252-W256 VanDerWaalsContact CD1-CD2 3.46Å; F252-W256 AromaticContact CD1-CE2 3.31Å; F252-W256 AromaticContact CD1-CE3 3.96Å; F252-W256 HydrophobicContact CD1-CE3 3.96Å; F252-W256 AromaticContact CD1-CG 3.87Å; F252-W256 HydrophobicContact CD1-CG 3.87Å; F252-W256 HydrophobicContact CD1-CH2 4.15Å; F252-W256 AromaticContact CD1-CZ2 3.68Å; F252-W256 HydrophobicContact CD1-CZ2 3.68Å; F252-W256 HydrophobicContact CD1-CZ3 4.29Å; F252-W256 AromaticContact CD1-NE1 3.61Å; F252-W256 AromaticContact CE1-CD2 3.93Å; F252-W256 HydrophobicContact CE1-CD2 3.93Å; F252-W256 AromaticContact CE1-CE2 3.71Å; F252-W256 HydrophobicContact CE1-CE3 4Å; F252-W256 AromaticContact CE1-CH2 3.65Å; F252-W256 HydrophobicContact CE1-CH2 3.65Å; F252-W256 AromaticContact CE1-CZ2 3.57Å; F252-W256 HydrophobicContact CE1-CZ2 3.57Å; F252-W256 AromaticContact CE1-CZ3 3.89Å; F252-W256 HydrophobicContact CE1-CZ3 3.89Å; F252-V377 HydrophobicContact CD1-CG2 3.67Å; F252-V377 HydrophobicContact CE1-CG2 3.92Å; F252-V377 HydrophobicContact CG-CG2 4.41Å
253N95.8Very high97.3Very high5 Ų511.7 Ų11.73%0.0276%0.062CC..PPolyproline II helixtrans-86.9163173.9-145.9-34.2000110.9I134 P135 R376I134-N253 HydrophobicContact CD1-CB 4.19Å; P135-N253 PolarHBondContact O-ND2 3.44Å; N253-R376 HydrophobicContact CB-CB 4.19Å; N253-R376 WeakPolarHBondContact CB-O 3.49Å; N253-R376 PolarHBondContact N-O 3.43Å
254T94.4Very high97.2Very high63 Ų6312 Ų1239%0.3876%0.064SC..THydrogen-bonded Turntrans-62.7138.8176.7-175.20000112.1D136 R138 W256D136-T254 HydrophobicContact CB-CG2 4.41Å; R138-T254 PolarHBondContact NE-O 3.44Å; R138-T254 PolarHBondContact NH1-O 3Å; T254-W256 PolarHBondContact O-N 3.26Å
255G94Very high97.1Very high8 Ų817 Ų178%0.0829%0.086CC..THydrogen-bonded Turntrans65.433.7176.300000114.3E258 P259G255-E258 VanDerWaalsContact CA-OE2 3.3Å; G255-E258 WeakPolarHBondContact CA-OE2 3.13Å; G255-P259 VanDerWaalsContact O-CD 3.29Å; G255-P259 WeakPolarHBondContact O-CD 3.35Å; G255-P259 WeakPolarHBondContact O-CG 3.49Å
256W97.6Very high97Very high0 Ų022.3 Ų22.30%011%0.11CC..  trans-80.1-32.2179.878.4-82.9000112.9I154 V156 V175 T179 F246 F252 T254 I260 V332 A375I154-W256 HydrophobicContact CD1-CH2 3.94Å; V156-W256 HydrophobicContact CG2-CH2 4.34Å; V156-W256 HydrophobicContact CG2-CZ2 4.42Å; V175-W256 HydrophobicContact CG2-CZ2 3.93Å; T179-W256 PolarHBondContact OG1-NE1 3.22Å; F246-W256 HydrophobicContact CE1-CZ3 4.4Å; F246-W256 AromaticContact CE2-CH2 3.99Å; F246-W256 HydrophobicContact CE2-CH2 3.99Å; F246-W256 HydrophobicContact CE2-CZ3 4.16Å; F246-W256 HydrophobicContact CZ-CE3 4.4Å; F246-W256 AromaticContact CZ-CH2 3.81Å; F246-W256 HydrophobicContact CZ-CH2 3.81Å; F246-W256 AromaticContact CZ-CZ3 3.52Å; F246-W256 HydrophobicContact CZ-CZ3 3.52Å; F252-W256 AromaticContact CD1-CD1 3.92Å; F252-W256 AromaticContact CD1-CD2 3.46Å; F252-W256 HydrophobicContact CD1-CD2 3.46Å; F252-W256 VanDerWaalsContact CD1-CD2 3.46Å; F252-W256 AromaticContact CD1-CE2 3.31Å; F252-W256 AromaticContact CD1-CE3 3.96Å; F252-W256 HydrophobicContact CD1-CE3 3.96Å; F252-W256 AromaticContact CD1-CG 3.87Å; F252-W256 HydrophobicContact CD1-CG 3.87Å; F252-W256 HydrophobicContact CD1-CH2 4.15Å; F252-W256 AromaticContact CD1-CZ2 3.68Å; F252-W256 HydrophobicContact CD1-CZ2 3.68Å; F252-W256 HydrophobicContact CD1-CZ3 4.29Å; F252-W256 AromaticContact CD1-NE1 3.61Å; F252-W256 AromaticContact CE1-CD2 3.93Å; F252-W256 HydrophobicContact CE1-CD2 3.93Å; F252-W256 AromaticContact CE1-CE2 3.71Å; F252-W256 HydrophobicContact CE1-CE3 4Å; F252-W256 AromaticContact CE1-CH2 3.65Å; F252-W256 HydrophobicContact CE1-CH2 3.65Å; F252-W256 AromaticContact CE1-CZ2 3.57Å; F252-W256 HydrophobicContact CE1-CZ2 3.57Å; F252-W256 AromaticContact CE1-CZ3 3.89Å; F252-W256 HydrophobicContact CE1-CZ3 3.89Å; T254-W256 PolarHBondContact O-N 3.26Å; W256-I260 HydrophobicContact CE3-CD1 3.66Å; W256-I260 HydrophobicContact CZ3-CD1 3.81Å; W256-I260 WeakPolarHBondContact O-CD1 3.49Å; W256-I260 WeakPolarHBondContact O-CG1 3.24Å; W256-V332 HydrophobicContact CZ3-CG2 4.4Å; W256-A375 VanDerWaalsContact O-CB 3.27Å; W256-A375 WeakPolarHBondContact O-CB 3.35Å
257A98Very high97Very high0 Ų024.5 Ų24.50%012%0.122CC..Hα-helixtrans-83-44.8-167.900000112.2T179 I260 L261T179-A257 HydrophobicContact CG2-CB 4.04Å; A257-I260 WeakPolarHBondContact O-CB 3.29Å; A257-I260 PolarHBondContact O-N 3.33Å; A257-I260 VanDerWaalsContact O-N 3.09Å; A257-L261 HydrophobicContact CB-CD1 4.26Å; A257-L261 VanDerWaalsContact O-CG 3.29Å; A257-L261 WeakPolarHBondContact O-CG 3.49Å; A257-L261 PolarHBondContact O-N 3.29Å
258E98Very high97.1Very high40 Ų4027.5 Ų27.519%0.18714%0.135CC..Hα-helixtrans-55.7-48.8-176.1-55.792.4140.300113.6Y147 L151 P180 L183 G255 I260 L261 T262Y147-E258 HydrophobicContact CD1-CB 4.44Å; Y147-E258 HydrophobicContact CD2-CB 3.51Å; Y147-E258 HydrophobicContact CD2-CG 4.44Å; Y147-E258 HydrophobicContact CE2-CB 4.17Å; Y147-E258 HydrophobicContact CG-CB 3.67Å; L151-E258 HydrophobicContact CD1-CB 4.18Å; L151-E258 HydrophobicContact CD1-CG 4.47Å; P180-E258 WeakPolarHBondContact CG-OE1 3.43Å; L183-E258 HydrophobicContact CD1-CG 4.1Å; G255-E258 VanDerWaalsContact CA-OE2 3.3Å; G255-E258 WeakPolarHBondContact CA-OE2 3.13Å; E258-I260 VanDerWaalsContact C-N 3.32Å; E258-I260 PolarHBondContact O-N 2.83Å; E258-L261 PolarHBondContact O-N 3.37Å; E258-T262 VanDerWaalsContact O-CB 3.32Å; E258-T262 WeakPolarHBondContact O-CB 3.37Å; E258-T262 PolarHBondContact O-N 3.05Å; E258-T262 PolarHBondContact O-OG1 3.02Å
259P97.8Very high97.2Very high7 Ų729 Ų295%0.04514%0.144CC..Hα-helixtrans-60.4-39.3174.319-30.7000113.1Y147 G255 R263 L372 C374 A375Y147-P259 VanDerWaalsContact CE1-CA 3.5Å; Y147-P259 HydrophobicContact CE1-CB 3.73Å; Y147-P259 HydrophobicContact CE1-CG 4.5Å; G255-P259 VanDerWaalsContact O-CD 3.29Å; G255-P259 WeakPolarHBondContact O-CD 3.35Å; G255-P259 WeakPolarHBondContact O-CG 3.49Å; P259-R263 WeakPolarHBondContact O-CG 3.43Å; P259-R263 PolarHBondContact O-N 3.36Å; P259-R263 VanDerWaalsContact O-N 3.15Å; P259-L372 HydrophobicContact CB-CD1 4.29Å; P259-C374 HydrophobicContact CB-CB 4.33Å; P259-C374 HydrophobicContact CG-CB 4.45Å; P259-A375 HydrophobicContact CG-CB 3.96Å
260I98.3Very high97.3Very high0 Ų030.3 Ų30.30%015%0.149CC..Hα-helixtrans-65-52.9179.2-66.3178.7000110.1W256 A257 E258 T262 R263 M264 I272 P274 V332 L372 A375W256-I260 HydrophobicContact CE3-CD1 3.66Å; W256-I260 HydrophobicContact CZ3-CD1 3.81Å; W256-I260 WeakPolarHBondContact O-CD1 3.49Å; W256-I260 WeakPolarHBondContact O-CG1 3.24Å; A257-I260 WeakPolarHBondContact O-CB 3.29Å; A257-I260 PolarHBondContact O-N 3.33Å; A257-I260 VanDerWaalsContact O-N 3.09Å; E258-I260 VanDerWaalsContact C-N 3.32Å; E258-I260 PolarHBondContact O-N 2.83Å; I260-T262 VanDerWaalsContact C-N 3.27Å; I260-T262 PolarHBondContact O-N 3.41Å; I260-R263 PolarHBondContact O-N 3.03Å; I260-R263 VanDerWaalsContact O-N 3.15Å; I260-M264 HydrophobicContact CG2-SD 3.95Å; I260-M264 WeakPolarHBondContact O-CG 3.39Å; I260-M264 PolarHBondContact O-N 2.87Å; I260-I272 HydrophobicContact CB-CG2 4.15Å; I260-I272 HydrophobicContact CD1-CG2 4.45Å; I260-I272 HydrophobicContact CG1-CG2 3.77Å; I260-I272 HydrophobicContact CG2-CB 3.97Å; I260-I272 HydrophobicContact CG2-CG2 3.85Å; I260-P274 HydrophobicContact CD1-CB 4.47Å; I260-V332 HydrophobicContact CD1-CG2 4.06Å; I260-V332 HydrophobicContact CG2-CB 3.78Å; I260-V332 HydrophobicContact CG2-CG1 3.76Å; I260-V332 HydrophobicContact CG2-CG2 4.04Å; I260-L372 HydrophobicContact CG1-CD1 4.01Å; I260-A375 HydrophobicContact CD1-CB 3.83Å; I260-A375 HydrophobicContact CG1-CB 3.69Å
261L98.4Very high97.3Very high0 Ų030.2 Ų30.20%015%0.148CC..Hα-helixtrans-65.4-32.9-176.5-63.3170.8000111.8L151 P152 I154 L183 V242 A257 E258 K265L151-L261 HydrophobicContact CB-CB 4.16Å; L151-L261 HydrophobicContact CD1-CB 4.22Å; L151-L261 HydrophobicContact CD2-CB 4.32Å; L151-L261 HydrophobicContact CG-CB 4.47Å; P152-L261 HydrophobicContact CG-CB 4.41Å; P152-L261 HydrophobicContact CG-CD2 4.25Å; P152-L261 WeakPolarHBondContact O-CD1 3.42Å; I154-L261 HydrophobicContact CB-CD2 4.2Å; L183-L261 HydrophobicContact CB-CD1 4.22Å; L183-L261 HydrophobicContact CD1-CD1 4Å; L183-L261 HydrophobicContact CD2-CD1 4.33Å; L183-L261 HydrophobicContact CG-CD1 4.41Å; V242-L261 HydrophobicContact CB-CD2 3.98Å; V242-L261 HydrophobicContact CG1-CD2 3.8Å; V242-L261 HydrophobicContact CG2-CD2 3.96Å; A257-L261 HydrophobicContact CB-CD1 4.26Å; A257-L261 VanDerWaalsContact O-CG 3.29Å; A257-L261 WeakPolarHBondContact O-CG 3.49Å; A257-L261 PolarHBondContact O-N 3.29Å; E258-L261 PolarHBondContact O-N 3.37Å; L261-K265 WeakPolarHBondContact O-CB 3.38Å; L261-K265 PolarHBondContact O-N 3.13Å
262T97.9Very high97.3Very high22 Ų2229.9 Ų29.914%0.13515%0.146CC..Hα-helixtrans-62.4-50172.5-58.30000110.8Y147 E258 I260 M264 K265 E266Y147-T262 WeakPolarHBondContact CD1-OG1 3.27Å; E258-T262 VanDerWaalsContact O-CB 3.32Å; E258-T262 WeakPolarHBondContact O-CB 3.37Å; E258-T262 PolarHBondContact O-N 3.05Å; E258-T262 PolarHBondContact O-OG1 3.02Å; I260-T262 VanDerWaalsContact C-N 3.27Å; I260-T262 PolarHBondContact O-N 3.41Å; T262-M264 VanDerWaalsContact C-N 3.27Å; T262-M264 PolarHBondContact O-N 3.5Å; T262-K265 PolarHBondContact O-N 3.31Å; T262-E266 WeakPolarHBondContact O-CG 3.49Å; T262-E266 PolarHBondContact O-N 2.95Å
263R96.9Very high97.2Very high55 Ų5530 Ų3021%0.20815%0.147CC..Hα-helixtrans-63.6-32.3-179.8-72.4-64.4-64.4165.5-8.1113.4P259 I260 E266 R270 I272 E370 L372P259-R263 WeakPolarHBondContact O-CG 3.43Å; P259-R263 PolarHBondContact O-N 3.36Å; P259-R263 VanDerWaalsContact O-N 3.15Å; I260-R263 PolarHBondContact O-N 3.03Å; I260-R263 VanDerWaalsContact O-N 3.15Å; R263-E266 IonicContact CZ-OE2 2.8Å; R263-E266 IonicContact NE-OE2 3.85Å; R263-E266 IonicContact NH1-OE2 3.29Å; R263-E266 PolarHBondContact NH1-OE2 2.64Å; R263-R270 PolarHBondContact O-NH1 3.25Å; R263-I272 HydrophobicContact CB-CD1 4.08Å; R263-I272 HydrophobicContact CB-CG1 4.4Å; R263-E370 IonicContact CZ-OE1 3.11Å; R263-E370 IonicContact CZ-OE2 3.69Å; R263-E370 IonicContact NE-OE2 2.81Å; R263-E370 PolarHBondContact NE-OE2 3.44Å; R263-E370 VanDerWaalsContact NE-OE2 3.08Å; R263-E370 IonicContact NH2-OE1 2.95Å; R263-E370 PolarHBondContact NH2-OE1 2.65Å; R263-E370 IonicContact NH2-OE2 3.45Å; R263-E370 PolarHBondContact NH2-OE2 3.12Å; R263-L372 HydrophobicContact CB-CD1 4.27Å; R263-L372 HydrophobicContact CG-CD1 3.8Å; R263-L372 HydrophobicContact CG-CD2 4.13Å
264M96.2Very high97.3Very high7 Ų729.7 Ų29.73%0.03415%0.145CC..Hα-helixtrans-76.6-35.7175.4-69.2-177.469.700113V242 I260 T262 E266 D267 H268 I272 V332 D334V242-M264 HydrophobicContact CB-CE 4.25Å; V242-M264 HydrophobicContact CG1-CE 3.67Å; V242-M264 HydrophobicContact CG1-SD 3.64Å; V242-M264 HydrophobicContact CG2-CE 3.72Å; V242-M264 HydrophobicContact CG2-SD 4.19Å; I260-M264 HydrophobicContact CG2-SD 3.95Å; I260-M264 WeakPolarHBondContact O-CG 3.39Å; I260-M264 PolarHBondContact O-N 2.87Å; T262-M264 VanDerWaalsContact C-N 3.27Å; T262-M264 PolarHBondContact O-N 3.5Å; M264-E266 PolarHBondContact O-N 2.77Å; M264-D267 CarbonylContact O-C 3.5Å; M264-D267 PolarHBondContact O-N 3.04Å; M264-D267 VanDerWaalsContact O-N 3.12Å; M264-H268 PolarHBondContact O-N 3.33Å; M264-I272 HydrophobicContact CG-CG1 3.71Å; M264-I272 HydrophobicContact SD-CG1 4.48Å; M264-V332 HydrophobicContact SD-CB 4.33Å; M264-V332 HydrophobicContact SD-CG1 3.66Å; M264-D334 HydrophobicContact CE-CB 4.05Å
265K96.4Very high97.4Very high106 Ų10627 Ų2746%0.46113%0.129SC..Hα-helixtrans-62-32.6175-173.9176.2-173.9178.10111.8D150 L151 L261 T262 D267D150-K265 PolarHBondContact O-NZ 2.79Å; D150-K265 IonicContact OD2-NZ 2.65Å; D150-K265 PolarHBondContact OD2-NZ 2.69Å; L151-K265 HydrophobicContact CD2-CD 4.41Å; L261-K265 WeakPolarHBondContact O-CB 3.38Å; L261-K265 PolarHBondContact O-N 3.13Å; T262-K265 PolarHBondContact O-N 3.31Å; K265-D267 VanDerWaalsContact C-N 3.32Å
266E96.9Very high97.5Very high111 Ų11127.2 Ų27.252%0.51913%0.128SC..Hα-helixtrans-68.2-30.1175.5-69.2168.7-174.600113.3T262 R263 M264 R270T262-E266 WeakPolarHBondContact O-CG 3.49Å; T262-E266 PolarHBondContact O-N 2.95Å; R263-E266 IonicContact CZ-OE2 2.8Å; R263-E266 IonicContact NE-OE2 3.85Å; R263-E266 IonicContact NH1-OE2 3.29Å; R263-E266 PolarHBondContact NH1-OE2 2.64Å; M264-E266 PolarHBondContact O-N 2.77Å; E266-R270 IonicContact OE2-NH1 2.96Å; E266-R270 PolarHBondContact OE2-NH1 3.21Å
267D97.9Very high97.5Very high46 Ų4627.3 Ų27.325%0.24613%0.129CC..  trans-166.7109.8-177.6179.6-5.2000109.7M264 K265 T269 R270M264-D267 CarbonylContact O-C 3.5Å; M264-D267 PolarHBondContact O-N 3.04Å; M264-D267 VanDerWaalsContact O-N 3.12Å; K265-D267 VanDerWaalsContact C-N 3.32Å; D267-T269 PolarHBondContact O-N 2.99Å; D267-T269 WeakPolarHBondContact OD1-CB 3.18Å; D267-T269 PolarHBondContact OD1-N 2.98Å; D267-T269 PolarHBondContact OD1-OG1 3.27Å; D267-R270 HydrophobicContact CB-CG 3.9Å; D267-R270 VanDerWaalsContact CB-NE 3.35Å; D267-R270 WeakPolarHBondContact O-CG 3.46Å; D267-R270 PolarHBondContact O-N 3.1Å; D267-R270 IonicContact OD2-CZ 2.93Å; D267-R270 IonicContact OD2-NE 3.91Å; D267-R270 PolarHBondContact OD2-NE 3.31Å; D267-R270 VanDerWaalsContact OD2-NE 3.13Å; D267-R270 IonicContact OD2-NH2 3.56Å; D267-R270 PolarHBondContact OD2-NH2 3.07Å
268H97.1Very high97.4Very high88 Ų8827.4 Ų27.441%0.40713%0.129SC..THydrogen-bonded Turntrans-71.8-11.9-175.475.2103.4000113.3M264 R270 D334M264-H268 PolarHBondContact O-N 3.33Å; H268-R270 PolarHBondContact O-N 3.03Å; H268-D334 HydrophobicContact CB-CB 4.07Å; H268-D334 WeakPolarHBondContact O-CB 3.43Å
269T98.1Very high97.4Very high31 Ų3125.5 Ų25.519%0.1912%0.12CC..THydrogen-bonded Turntrans-83.42-18072.30000113.5D267 Y337 G367 S368D267-T269 PolarHBondContact O-N 2.99Å; D267-T269 WeakPolarHBondContact OD1-CB 3.18Å; D267-T269 PolarHBondContact OD1-N 2.98Å; D267-T269 PolarHBondContact OD1-OG1 3.27Å; T269-Y337 HydrophobicContact CG2-CD2 4.13Å; T269-Y337 HydrophobicContact CG2-CE2 4.04Å; T269-Y337 WeakPolarHBondContact O-CE1 3.15Å; T269-Y337 PolarHBondContact O-OH 3.27Å; T269-G367 WeakPolarHBondContact O-CA 3.47Å; T269-S368 PolarHBondContact O-N 2.66Å
270R98Very high97.3Very high39 Ų3927.7 Ų27.715%0.14713%0.129CC..EExtended strand (participates in β ladder)trans-88.2131.7178.4-54.9-171.3-176.1132.34.9111.2R263 E266 D267 H268 I272 S368R263-R270 PolarHBondContact O-NH1 3.25Å; E266-R270 IonicContact OE2-NH1 2.96Å; E266-R270 PolarHBondContact OE2-NH1 3.21Å; D267-R270 HydrophobicContact CB-CG 3.9Å; D267-R270 VanDerWaalsContact CB-NE 3.35Å; D267-R270 WeakPolarHBondContact O-CG 3.46Å; D267-R270 PolarHBondContact O-N 3.1Å; D267-R270 IonicContact OD2-CZ 2.93Å; D267-R270 IonicContact OD2-NE 3.91Å; D267-R270 PolarHBondContact OD2-NE 3.31Å; D267-R270 VanDerWaalsContact OD2-NE 3.13Å; D267-R270 IonicContact OD2-NH2 3.56Å; D267-R270 PolarHBondContact OD2-NH2 3.07Å; H268-R270 PolarHBondContact O-N 3.03Å; R270-I272 HydrophobicContact CB-CD1 3.89Å; R270-I272 HydrophobicContact CB-CG1 4.44Å; R270-S368 WeakPolarHBondContact CA-O 3.16Å; R270-S368 WeakPolarHBondContact CG-OG 3.46Å
271I98.3Very high97Very high0 Ų030.9 Ų30.90%014%0.142CC..EExtended strand (participates in β ladder)trans-95.2123.5162.6-55.4-162.5000108.4L273 F331 V333 Y337 L358 V362 S368 M369 E370I271-L273 HydrophobicContact CG2-CD2 4.32Å; I271-F331 HydrophobicContact CG2-CB 3.84Å; I271-F331 HydrophobicContact CG2-CD2 3.91Å; I271-F331 HydrophobicContact CG2-CG 4.3Å; I271-V333 HydrophobicContact CD1-CB 4.47Å; I271-V333 HydrophobicContact CD1-CG2 3.99Å; I271-V333 HydrophobicContact CG1-CB 4.33Å; I271-V333 HydrophobicContact CG1-CG2 3.83Å; I271-Y337 HydrophobicContact CG1-CE1 4.46Å; I271-L358 HydrophobicContact CD1-CD1 3.96Å; I271-L358 HydrophobicContact CD1-CD2 3.84Å; I271-L358 HydrophobicContact CD1-CG 3.98Å; I271-V362 HydrophobicContact CD1-CG2 3.52Å; I271-V362 HydrophobicContact CG1-CG1 4.48Å; I271-V362 HydrophobicContact CG1-CG2 4.1Å; I271-S368 PolarHBondContact N-O 3.5Å; I271-M369 HydrophobicContact CB-CE 3.94Å; I271-M369 HydrophobicContact CB-CG 4.24Å; I271-M369 HydrophobicContact CG2-CE 3.71Å; I271-M369 VanDerWaalsContact O-CA 3.31Å; I271-M369 WeakPolarHBondContact O-CA 3.45Å; I271-E370 PolarHBondContact O-N 2.78Å; I271-E370 VanDerWaalsContact O-N 3.11Å
272I98.3Very high96.7Very high0 Ų034.1 Ų34.10%016%0.159CC..EExtended strand (participates in β ladder)trans-107.6132.9-175.5-56.7-57.8000110I260 R263 M264 R270 V332 E370 L372I260-I272 HydrophobicContact CB-CG2 4.15Å; I260-I272 HydrophobicContact CD1-CG2 4.45Å; I260-I272 HydrophobicContact CG1-CG2 3.77Å; I260-I272 HydrophobicContact CG2-CB 3.97Å; I260-I272 HydrophobicContact CG2-CG2 3.85Å; R263-I272 HydrophobicContact CB-CD1 4.08Å; R263-I272 HydrophobicContact CB-CG1 4.4Å; M264-I272 HydrophobicContact CG-CG1 3.71Å; M264-I272 HydrophobicContact SD-CG1 4.48Å; R270-I272 HydrophobicContact CB-CD1 3.89Å; R270-I272 HydrophobicContact CB-CG1 4.44Å; I272-V332 PolarHBondContact N-O 3.44Å; I272-V332 PolarHBondContact O-N 3.31Å; I272-E370 HydrophobicContact CD1-CB 4.02Å; I272-E370 HydrophobicContact CD1-CG 4.49Å; I272-L372 HydrophobicContact CG2-CD1 3.49Å; I272-L372 VanDerWaalsContact CG2-CD1 3.49Å; I272-L372 HydrophobicContact CG2-CG 3.61Å
273L97.9Very high96.5Very high1 Ų134.4 Ų34.41%0.00516%0.161CC..EExtended strand (participates in β ladder)trans-112.1131176.8-47.2179.2000108.7I271 H294 T323 M326 S330 F331 M369 E370 V371 L372I271-L273 HydrophobicContact CG2-CD2 4.32Å; L273-H294 VanDerWaalsContact CD1-ND1 3.31Å; L273-H294 WeakPolarHBondContact CD1-ND1 3.5Å; L273-T323 HydrophobicContact CD1-CG2 3.85Å; L273-M326 HydrophobicContact CD1-CB 3.41Å; L273-M326 VanDerWaalsContact CD1-CB 3.41Å; L273-M326 HydrophobicContact CD2-CB 3.63Å; L273-M326 HydrophobicContact CD2-SD 4.16Å; L273-M326 HydrophobicContact CG-CB 4.18Å; L273-S330 WeakPolarHBondContact CD2-O 3.11Å; L273-F331 HydrophobicContact CD2-CB 3.41Å; L273-F331 VanDerWaalsContact CD2-CB 3.41Å; L273-M369 HydrophobicContact CD2-CE 4.25Å; L273-E370 PolarHBondContact N-O 2.88Å; L273-V371 HydrophobicContact CB-CG2 4.09Å; L273-V371 HydrophobicContact CD1-CG2 4Å; L273-V371 CarbonylContact O-C 3.59Å; L273-V371 VanDerWaalsContact O-CA 3.3Å; L273-V371 WeakPolarHBondContact O-CA 3.45Å; L273-L372 PolarHBondContact O-N 3.44Å
274P97.4Very high96.4Very high0 Ų031.8 Ų31.80%015%0.151CC..EExtended strand (participates in β ladder)trans-68.2152.4164.830.2-32.4000109.9F246 I260 I276 S330 A375 V377F246-P274 HydrophobicContact CE1-CG 4.13Å; I260-P274 HydrophobicContact CD1-CB 4.47Å; P274-I276 HydrophobicContact CG-CD1 4.07Å; P274-S330 WeakPolarHBondContact CD-OG 3.36Å; P274-S330 WeakPolarHBondContact CG-OG 3.38Å; P274-A375 CarbonylContact C-O 3.58Å; P274-A375 VanDerWaalsContact CA-O 3.31Å; P274-A375 WeakPolarHBondContact CA-O 3.27Å; P274-A375 HydrophobicContact CB-CB 4.28Å; P274-A375 WeakPolarHBondContact CB-O 3.42Å; P274-V377 HydrophobicContact CB-CB 4.38Å; P274-V377 HydrophobicContact CB-CG2 3.87Å; P274-V377 HydrophobicContact CG-CB 4.29Å; P274-V377 HydrophobicContact CG-CG2 3.91Å
275A96.8Very high96.5Very high5 Ų534.6 Ų34.64%0.04116%0.164CC..EExtended strand (participates in β ladder)trans-66.9134.8163.800000109.5V371 L372 A375 R376 V377A275-V371 HydrophobicContact CB-CG1 4.19Å; A275-L372 PolarHBondContact N-O 3.25Å; A275-A375 PolarHBondContact N-O 3.2Å; A275-R376 HydrophobicContact CB-CG 4.32Å; A275-R376 VanDerWaalsContact O-CA 3.31Å; A275-R376 WeakPolarHBondContact O-CA 3.31Å; A275-V377 PolarHBondContact O-N 3.41Å
276I96.1Very high96.6Very high13 Ų1329.7 Ų29.77%0.06714%0.143CC..EExtended strand (participates in β ladder)trans-100.5128.5-173.8-55.1-59.2000109.9P274 Y289 V377 H379P274-I276 HydrophobicContact CG-CD1 4.07Å; I276-Y289 WeakPolarHBondContact O-CB 3.1Å; I276-V377 CarbonylContact C-O 3.55Å; I276-V377 VanDerWaalsContact CA-O 3.28Å; I276-V377 WeakPolarHBondContact CA-O 3.24Å; I276-V377 HydrophobicContact CD1-CB 4.45Å; I276-H379 HydrophobicContact CG2-CB 3.75Å
277D96.9Very high96.6Very high2 Ų227.4 Ų27.41%0.01113%0.132CC..EExtended strand (participates in β ladder)trans-100.2159.2168.4-73.4-43.5000110.5V286 Q288 Y289 R376 V377 A378 H379D277-V286 HydrophobicContact CB-CG1 4.43Å; D277-Q288 VanDerWaalsContact OD1-CA 3.31Å; D277-Q288 WeakPolarHBondContact OD1-CA 3.37Å; D277-Y289 PolarHBondContact OD1-N 3.22Å; D277-R376 IonicContact OD1-CZ 3.21Å; D277-R376 IonicContact OD1-NE 3.43Å; D277-R376 PolarHBondContact OD1-NE 2.98Å; D277-R376 IonicContact OD1-NH2 3.13Å; D277-R376 PolarHBondContact OD1-NH2 2.92Å; D277-R376 IonicContact OD2-CZ 3.46Å; D277-R376 IonicContact OD2-NE 2.8Å; D277-R376 PolarHBondContact OD2-NE 3.4Å; D277-R376 IonicContact OD2-NH2 3.96Å; D277-V377 PolarHBondContact N-O 2.98Å; D277-A378 HydrophobicContact CB-CB 4.06Å; D277-A378 CarbonylContact O-C 3.5Å; D277-A378 WeakPolarHBondContact O-CA 3.27Å; D277-H379 PolarHBondContact O-N 3.29Å
278N96.4Very high96.5Very high2 Ų230.3 Ų30.31%0.01114%0.144CC..EExtended strand (participates in β ladder)trans-96.6132.7-178-17413.4000111.6V286 Q287 Y289 E381N278-V286 CarbonylContact O-C 3.59Å; N278-V286 WeakPolarHBondContact O-CA 3.47Å; N278-Q287 HydrophobicContact CB-CB 4.46Å; N278-Q287 PolarHBondContact N-O 3.18Å; N278-Q287 PolarHBondContact O-N 3.38Å; N278-Y289 HydrophobicContact CB-CD1 3.88Å; N278-Y289 HydrophobicContact CB-CE1 3.36Å; N278-Y289 HydrophobicContact CB-CE2 4.22Å; N278-Y289 PolarHBondContact ND2-OH 2.92Å; N278-E381 PolarHBondContact ND2-OE2 2.75Å; N278-E381 WeakPolarHBondContact OD1-CB 3.38Å
279I97.6Very high96.3Very high0 Ų029.1 Ų29.10%014%0.137CC..EExtended strand (participates in β ladder)trans-102.7114.8163.9-53171.4000107.4E251 Y281 F284 E285 V286 A378 H379 I380 E381E251-I279 HydrophobicContact CB-CD1 4.19Å; E251-I279 HydrophobicContact CG-CD1 4.06Å; I279-Y281 PolarHBondContact O-N 3.16Å; I279-F284 HydrophobicContact CG2-CB 4.29Å; I279-F284 HydrophobicContact CG2-CD1 3.98Å; I279-F284 HydrophobicContact CG2-CG 4.28Å; I279-E285 WeakPolarHBondContact CA-O 3.28Å; I279-V286 HydrophobicContact CG1-CG2 4.33Å; I279-A378 HydrophobicContact CD1-CB 3.8Å; I279-A378 HydrophobicContact CG1-CB 3.6Å; I279-H379 PolarHBondContact N-O 2.98Å; I279-I380 HydrophobicContact CB-CB 4.47Å; I279-I380 HydrophobicContact CB-CG1 3.91Å; I279-I380 HydrophobicContact CD1-CG1 3.95Å; I279-I380 HydrophobicContact CG2-CG1 4Å; I279-E381 PolarHBondContact O-N 2.03Å
280K95.4Very high96Very high53 Ų5331.7 Ų31.723%0.2316%0.161CC..EExtended strand (participates in β ladder)trans-59.7127.3-179.6-73.5-67.3179.4-168.40111.4N282 T283 F284 E285 Q287K280-N282 PolarHBondContact O-N 2.95Å; K280-N282 VanDerWaalsContact O-N 3.13Å; K280-T283 WeakPolarHBondContact CB-OG1 3.39Å; K280-F284 VanDerWaalsContact O-CA 3.25Å; K280-F284 WeakPolarHBondContact O-CA 3.38Å; K280-F284 PolarHBondContact O-N 3.21Å; K280-E285 HydrophobicContact CB-CB 4.33Å; K280-E285 HydrophobicContact CG-CB 4.21Å; K280-E285 PolarHBondContact N-O 3.47Å; K280-Q287 VanDerWaalsContact CE-NE2 3.25Å; K280-Q287 HydrophobicContact CG-CG 4.43Å
281Y92.9Very high95.8Very high68 Ų6831.5 Ų31.527%0.26716%0.163SC..THydrogen-bonded Turntrans-58.2-28.7-178.462.1-98.4000114.5Y115 Y120 N121 I279 E381 T383Y115-Y281 AromaticContact CE2-CD2 3.49Å; Y115-Y281 HydrophobicContact CE2-CD2 3.49Å; Y115-Y281 VanDerWaalsContact CE2-CD2 3.49Å; Y115-Y281 AromaticContact CE2-CE2 3.66Å; Y115-Y281 HydrophobicContact CE2-CE2 3.66Å; Y115-Y281 AromaticContact CZ-CD2 3.79Å; Y115-Y281 AromaticContact CZ-CE2 3.68Å; Y115-Y281 VanDerWaalsContact OH-CD2 3.3Å; Y115-Y281 WeakPolarHBondContact OH-CD2 3.28Å; Y115-Y281 WeakPolarHBondContact OH-CE2 3.47Å; Y120-Y281 CarbonylContact C-O 3.58Å; Y120-Y281 WeakPolarHBondContact CA-O 3.17Å; Y120-Y281 WeakPolarHBondContact CB-O 3.27Å; N121-Y281 WeakPolarHBondContact CB-O 3.17Å; N121-Y281 PolarHBondContact N-O 3.22Å; I279-Y281 PolarHBondContact O-N 3.16Å; Y281-E381 VanDerWaalsContact CB-O 3.3Å; Y281-E381 WeakPolarHBondContact CB-O 3.08Å; Y281-T383 HydrophobicContact CD1-CG2 3.56Å; Y281-T383 HydrophobicContact CD2-CG2 3.67Å; Y281-T383 HydrophobicContact CE1-CG2 3.47Å; Y281-T383 VanDerWaalsContact CE1-CG2 3.47Å; Y281-T383 HydrophobicContact CE2-CG2 3.64Å; Y281-T383 HydrophobicContact CG-CG2 3.66Å
282N91.3Very high95.6Very high68 Ų6832.2 Ų32.236%0.36417%0.169SC..THydrogen-bonded Turntrans-96.5-40.6-174.157.5-13.4000113.4N121 L124 K280N121-N282 PolarHBondContact ND2-O 2.76Å; L124-N282 VanDerWaalsContact CD2-O 3.28Å; L124-N282 WeakPolarHBondContact CD2-O 3.41Å; K280-N282 PolarHBondContact O-N 2.95Å; K280-N282 VanDerWaalsContact O-N 3.13Å
283T93.6Very high95.5Very high27 Ų2732.3 Ų32.317%0.16617%0.169CC..THydrogen-bonded Turntrans-110.3-9.1-172.959.60000114A101 A102 K280 E285A101-T283 HydrophobicContact CB-CG2 4.49Å; A102-T283 PolarHBondContact N-O 3.24Å; A102-T283 WeakPolarHBondContact O-CA 3.17Å; K280-T283 WeakPolarHBondContact CB-OG1 3.39Å; T283-E285 PolarHBondContact O-N 3.12Å; T283-E285 VanDerWaalsContact O-N 3.12Å; T283-E285 PolarHBondContact OG1-N 3.02Å
284F95.8Very high95.4Very high0 Ų032.5 Ų32.50%017%0.17CC..  trans57.419.4-173.9-81.4-109.4000114.4Y120 N121 L124 S125 I128 R132 V167 I279 K280 I380Y120-F284 HydrophobicContact CD2-CE2 4.3Å; Y120-F284 AromaticContact CD2-CZ 3.94Å; Y120-F284 HydrophobicContact CD2-CZ 3.94Å; Y120-F284 HydrophobicContact CE2-CZ 4.36Å; N121-F284 HydrophobicContact CB-CE2 4.41Å; N121-F284 VanDerWaalsContact O-CE2 3.28Å; N121-F284 WeakPolarHBondContact O-CE2 3.48Å; L124-F284 HydrophobicContact CD2-CD2 4.15Å; L124-F284 HydrophobicContact CG-CD2 4.45Å; S125-F284 VanDerWaalsContact CB-CZ 3.47Å; I128-F284 HydrophobicContact CD1-CB 3.34Å; I128-F284 HydrophobicContact CD1-CD1 4.07Å; I128-F284 HydrophobicContact CD1-CD2 4.3Å; I128-F284 HydrophobicContact CD1-CG 3.65Å; R132-F284 PolarHBondContact NH1-O 3.28Å; R132-F284 PolarHBondContact NH2-O 3.25Å; R132-F284 VanDerWaalsContact NH2-O 3.13Å; V167-F284 HydrophobicContact CG2-CE1 4.43Å; V167-F284 HydrophobicContact CG2-CZ 4.42Å; I279-F284 HydrophobicContact CG2-CB 4.29Å; I279-F284 HydrophobicContact CG2-CD1 3.98Å; I279-F284 HydrophobicContact CG2-CG 4.28Å; K280-F284 VanDerWaalsContact O-CA 3.25Å; K280-F284 WeakPolarHBondContact O-CA 3.38Å; K280-F284 PolarHBondContact O-N 3.21Å; F284-I380 HydrophobicContact CE1-CD1 3.6Å; F284-I380 HydrophobicContact CZ-CD1 3.91Å
285E97.1Very high95.3Very high67 Ų6732.5 Ų32.531%0.31317%0.17SC..  trans-63.9135.7170.4-172.7-171.8-159.800110.3G99 A101 I279 K280 T283 Q287G99-E285 CarbonylContact O-C 3.07Å; G99-E285 WeakPolarHBondContact O-CA 3.29Å; A101-E285 HydrophobicContact CB-CB 3.92Å; A101-E285 HydrophobicContact CB-CG 4.22Å; I279-E285 WeakPolarHBondContact CA-O 3.28Å; K280-E285 HydrophobicContact CB-CB 4.33Å; K280-E285 HydrophobicContact CG-CB 4.21Å; K280-E285 PolarHBondContact N-O 3.47Å; T283-E285 PolarHBondContact O-N 3.12Å; T283-E285 VanDerWaalsContact O-N 3.12Å; T283-E285 PolarHBondContact OG1-N 3.02Å; E285-Q287 HydrophobicContact CG-CG 4.26Å; E285-Q287 PolarHBondContact OE2-NE2 3.19Å
286V97.9Very high95.3Very high3 Ų332.2 Ų32.22%0.01817%0.168CC..EExtended strand (participates in β ladder)trans-94113.9175.3-172.10000109.9G99 I134 P135 Y137 D277 N278 I279 A378G99-V286 PolarHBondContact O-N 2.94Å; I134-V286 HydrophobicContact CB-CG2 4.26Å; I134-V286 HydrophobicContact CG2-CG2 3.9Å; P135-V286 HydrophobicContact CG-CB 4.05Å; P135-V286 HydrophobicContact CG-CG1 4.14Å; Y137-V286 HydrophobicContact CE2-CG1 4.1Å; Y137-V286 PolarHBondContact OH-O 2.91Å; D277-V286 HydrophobicContact CB-CG1 4.43Å; N278-V286 CarbonylContact O-C 3.59Å; N278-V286 WeakPolarHBondContact O-CA 3.47Å; I279-V286 HydrophobicContact CG1-CG2 4.33Å; V286-A378 HydrophobicContact CG1-CB 3.89Å
287Q97Very high95.2Very high62 Ų6233.9 Ų33.929%0.2918%0.177SC..EExtended strand (participates in β ladder)trans-108.1134.3179.4-63.2-168.8-15.100111.1N278 K280 E285 Y289N278-Q287 HydrophobicContact CB-CB 4.46Å; N278-Q287 PolarHBondContact N-O 3.18Å; N278-Q287 PolarHBondContact O-N 3.38Å; K280-Q287 VanDerWaalsContact CE-NE2 3.25Å; K280-Q287 HydrophobicContact CG-CG 4.43Å; E285-Q287 HydrophobicContact CG-CG 4.26Å; E285-Q287 PolarHBondContact OE2-NE2 3.19Å; Q287-Y289 PolarHBondContact O-N 3.25Å
288Q95.8Very high95.2Very high107 Ų10733.9 Ų33.950%0.518%0.177SC..PPolyproline II helixtrans-67.2128175.6-173.417716.900110.3Y137 D277Y137-Q288 HydrophobicContact CD1-CB 3.82Å; Y137-Q288 HydrophobicContact CD1-CG 4.2Å; Y137-Q288 HydrophobicContact CD2-CB 3.69Å; Y137-Q288 HydrophobicContact CD2-CG 4.22Å; Y137-Q288 HydrophobicContact CE1-CB 4.01Å; Y137-Q288 HydrophobicContact CE2-CB 3.85Å; Y137-Q288 HydrophobicContact CG-CB 3.67Å; Y137-Q288 HydrophobicContact CG-CG 3.87Å; Y137-Q288 PolarHBondContact O-NE2 3.49Å; D277-Q288 VanDerWaalsContact OD1-CA 3.31Å; D277-Q288 WeakPolarHBondContact OD1-CA 3.37Å
289Y93.8Very high95.1Very high64 Ų6434.1 Ų34.125%0.25118%0.18SC..PPolyproline II helixtrans-94.8144.5163.9-86.410.5000110.6I276 D277 N278 Q287 Y304 R376I276-Y289 WeakPolarHBondContact O-CB 3.1Å; D277-Y289 PolarHBondContact OD1-N 3.22Å; N278-Y289 HydrophobicContact CB-CD1 3.88Å; N278-Y289 HydrophobicContact CB-CE1 3.36Å; N278-Y289 HydrophobicContact CB-CE2 4.22Å; N278-Y289 PolarHBondContact ND2-OH 2.92Å; Q287-Y289 PolarHBondContact O-N 3.25Å; Y289-Y304 HydrophobicContact CD2-CE2 4.32Å; Y289-Y304 HydrophobicContact CE2-CE2 4.13Å; Y289-R376 PolarHBondContact O-NH2 3.48Å
290A92.6Very high95Very high85 Ų8534.4 Ų34.470%0.70218%0.181SC*.PPolyproline II helixtrans-62.2147.9175.500000110.5A292A290-A292 PolarHBondContact O-N 3.44Å
291N92.5Very high94.9Very high35 Ų3536.1 Ų36.119%0.18719%0.186CC..PPolyproline II helixtrans-64.3125.9171.6-66-34.8000109.2I321 R376N291-I321 HydrophobicContact CB-CD1 3.83Å; N291-R376 PolarHBondContact OD1-NH1 3.25Å
292A94.4Very high94.9Very high15 Ų1535.1 Ų35.112%0.12419%0.189CC..  trans-142.1153.9-175.600000109.8A290 Y304A290-A292 PolarHBondContact O-N 3.44Å; A292-Y304 HydrophobicContact CB-CD1 3.78Å; A292-Y304 HydrophobicContact CB-CG 4.38Å
293A95.9Very high95Very high1 Ų134 Ų341%0.00818%0.182CC..EExtended strand (participates in β ladder)trans-82.1166.6161.800000109.1I305 I321A293-I305 HydrophobicContact CB-CD1 4.1Å; A293-I305 HydrophobicContact CB-CG1 3.68Å; A293-I305 PolarHBondContact N-O 3.28Å; A293-I305 WeakPolarHBondContact O-CG1 3.26Å; A293-I305 PolarHBondContact O-N 2.84Å; A293-I321 HydrophobicContact CB-CG2 3.8Å
294H95.9Very high95Very high5 Ų537 Ų372%0.02319%0.191CC..EExtended strand (participates in β ladder)trans-114124.3178.6-52.8151.4000110.5L273 Y304 T323 P324 A325 I327L273-H294 VanDerWaalsContact CD1-ND1 3.31Å; L273-H294 WeakPolarHBondContact CD1-ND1 3.5Å; H294-Y304 AromaticContact CD2-CD1 3.67Å; H294-Y304 AromaticContact CD2-CE1 3.79Å; H294-Y304 AromaticContact NE2-CD1 3.91Å; H294-Y304 AromaticContact NE2-CE1 3.58Å; H294-T323 WeakPolarHBondContact CA-OG1 3.28Å; H294-T323 WeakPolarHBondContact CB-OG1 3.4Å; H294-T323 PolarHBondContact N-OG1 3.23Å; H294-T323 PolarHBondContact O-OG1 3.11Å; H294-P324 VanDerWaalsContact O-CD 3.24Å; H294-P324 WeakPolarHBondContact O-CD 3.42Å; H294-A325 WeakPolarHBondContact CB-O 3.4Å; H294-A325 PolarHBondContact O-N 3.11Å; H294-I327 HydrophobicContact CB-CG1 4.15Å; H294-I327 PolarHBondContact ND1-N 3.19Å
295G95.6Very high94.9Very high0 Ų038 Ų380%020%0.196CC..EExtended strand (participates in β ladder)trans-124.1-166.5176.600000111.6C302 M303G295-C302 CarbonylContact O-C 3.6Å; G295-C302 WeakPolarHBondContact O-CA 3.49Å; G295-M303 PolarHBondContact N-O 3.33Å; G295-M303 PolarHBondContact O-N 3.16Å
296Y96.1Very high94.7Very high0 Ų039.7 Ų39.70%021%0.206CC..EExtended strand (participates in β ladder)trans-152.7162.2175.455-82.9000111.6L300 W301 A325 I356 M360 Y450 Y455 M458Y296-L300 HydrophobicContact CD2-CD2 3.67Å; Y296-L300 HydrophobicContact CE2-CD2 3.7Å; Y296-W301 CarbonylContact C-O 3.54Å; Y296-W301 WeakPolarHBondContact CA-O 3.45Å; Y296-W301 VanDerWaalsContact CB-O 3.24Å; Y296-W301 WeakPolarHBondContact CB-O 3.48Å; Y296-A325 HydrophobicContact CD1-CB 3.73Å; Y296-A325 HydrophobicContact CE1-CB 4.03Å; Y296-I356 HydrophobicContact CD1-CD1 3.87Å; Y296-I356 HydrophobicContact CD1-CG1 4.47Å; Y296-I356 HydrophobicContact CD1-CG2 3.56Å; Y296-I356 HydrophobicContact CD2-CG2 3.65Å; Y296-I356 HydrophobicContact CE1-CG2 3.62Å; Y296-I356 HydrophobicContact CE2-CG2 3.72Å; Y296-I356 HydrophobicContact CG-CD1 3.97Å; Y296-I356 HydrophobicContact CG-CG1 4.28Å; Y296-I356 HydrophobicContact CG-CG2 3.58Å; Y296-M360 WeakPolarHBondContact OH-CG 3.36Å; Y296-Y450 WeakPolarHBondContact CE1-OH 3.42Å; Y296-Y450 VanDerWaalsContact OH-CE1 3.22Å; Y296-Y450 WeakPolarHBondContact OH-CE1 3.42Å; Y296-Y450 PolarHBondContact OH-OH 3.44Å; Y296-Y455 HydrophobicContact CD1-CD1 4.43Å; Y296-Y455 HydrophobicContact CD1-CE1 4.04Å; Y296-Y455 HydrophobicContact CE1-CD1 4.03Å; Y296-Y455 HydrophobicContact CE1-CE1 4.09Å; Y296-Y455 HydrophobicContact CG-CE1 4.36Å; Y296-Y455 PolarHBondContact N-OH 3.04Å; Y296-Y455 WeakPolarHBondContact O-CE1 3.22Å; Y296-Y455 PolarHBondContact O-OH 3.07Å; Y296-M458 HydrophobicContact CD2-CE 3.74Å; Y296-M458 HydrophobicContact CE2-CE 3.59Å; Y296-M458 HydrophobicContact CE2-SD 3.99Å
297N95.3Very high94.6Very high47 Ų4740.2 Ų40.225%0.25121%0.209SC..  trans-94175.3169.471.115.1000111.3G299 L300 W301N297-G299 PolarHBondContact O-N 3.44Å; N297-G299 VanDerWaalsContact O-N 3.15Å; N297-G299 WeakPolarHBondContact OD1-CA 3.37Å; N297-G299 PolarHBondContact OD1-N 3.27Å; N297-L300 WeakPolarHBondContact O-CA 3.27Å; N297-L300 PolarHBondContact O-N 3.31Å; N297-L300 PolarHBondContact OD1-N 3.15Å; N297-W301 PolarHBondContact N-O 2.96Å; N297-W301 VanDerWaalsContact N-O 3.08Å; N297-W301 WeakPolarHBondContact OD1-CB 3.22Å; N297-W301 PolarHBondContact OD1-N 2.98Å; N297-W301 VanDerWaalsContact OD1-N 3.12Å
298W95.8Very high94.4Very high3 Ų339.1 Ų39.11%0.01121%0.208CC..THydrogen-bonded Turntrans-66.9-13179.9-68.2108.4000115.3L300 M407 Y410 H413 V414 A417 F447 L451 M458 R459 I460 Y461 L516W298-L300 PolarHBondContact O-N 2.89Å; W298-M407 HydrophobicContact CE3-CE 3.63Å; W298-M407 HydrophobicContact CZ3-CE 3.37Å; W298-Y410 HydrophobicContact CH2-CD1 4.25Å; W298-H413 HydrophobicContact CB-CB 4.24Å; W298-H413 HydrophobicContact CD2-CB 3.33Å; W298-H413 AromaticContact CD2-CD2 3.93Å; W298-H413 AromaticContact CD2-CG 3.94Å; W298-H413 AromaticContact CE2-CD2 3.52Å; W298-H413 AromaticContact CE2-CG 3.98Å; W298-H413 HydrophobicContact CE3-CB 3.2Å; W298-H413 AromaticContact CE3-CG 3.93Å; W298-H413 HydrophobicContact CG-CB 3.81Å; W298-H413 HydrophobicContact CH2-CB 4.19Å; W298-H413 AromaticContact CH2-CD2 3.92Å; W298-H413 HydrophobicContact CZ2-CB 4.32Å; W298-H413 AromaticContact CZ2-CD2 3.54Å; W298-H413 HydrophobicContact CZ3-CB 3.65Å; W298-H413 AromaticContact CZ3-CG 3.94Å; W298-H413 AromaticContact NE1-CD2 3.96Å; W298-V414 WeakPolarHBondContact O-CA 3.43Å; W298-A417 HydrophobicContact CB-CB 3.97Å; W298-F447 HydrophobicContact CH2-CE1 4.02Å; W298-F447 AromaticContact CZ3-CE1 3.95Å; W298-F447 HydrophobicContact CZ3-CE1 3.95Å; W298-F447 HydrophobicContact CZ3-CZ 4.42Å; W298-L451 HydrophobicContact CH2-CD1 4.27Å; W298-L451 HydrophobicContact CH2-CD2 4.44Å; W298-M458 HydrophobicContact CD2-CE 3.4Å; W298-M458 HydrophobicContact CD2-SD 4.45Å; W298-M458 HydrophobicContact CE3-CE 3.55Å; W298-M458 HydrophobicContact CE3-SD 4.47Å; W298-M458 HydrophobicContact CG-CE 3.91Å; W298-M458 HydrophobicContact CH2-CE 4.12Å; W298-M458 HydrophobicContact CH2-SD 4Å; W298-M458 HydrophobicContact CZ2-CE 3.95Å; W298-M458 HydrophobicContact CZ2-CG 3.99Å; W298-M458 HydrophobicContact CZ2-SD 3.92Å; W298-M458 HydrophobicContact CZ3-CE 3.94Å; W298-M458 HydrophobicContact CZ3-SD 4.27Å; W298-R459 VanDerWaalsContact CE2-O 3.24Å; W298-R459 VanDerWaalsContact CZ2-O 3.29Å; W298-R459 WeakPolarHBondContact CZ2-O 3.5Å; W298-R459 PolarHBondContact NE1-O 2.93Å; W298-I460 HydrophobicContact CZ2-CG1 4.44Å; W298-Y461 AromaticContact CD1-CE2 3.7Å; W298-Y461 AromaticContact NE1-CD2 3.98Å; W298-Y461 AromaticContact NE1-CE2 3.73Å; W298-L516 HydrophobicContact CB-CD1 4.19Å
299G94.9Very high94.2Very high7 Ų739.6 Ų39.67%0.07221%0.21CC..THydrogen-bonded Turntrans-74.9-2.7166.800000113.3N297 W301 W418N297-G299 PolarHBondContact O-N 3.44Å; N297-G299 VanDerWaalsContact O-N 3.15Å; N297-G299 WeakPolarHBondContact OD1-CA 3.37Å; N297-G299 PolarHBondContact OD1-N 3.27Å; G299-W301 PolarHBondContact O-N 2.99Å; G299-W418 PolarHBondContact O-NE1 3.39Å
300L95.9Very high94.1Very high6 Ų644.4 Ų44.43%0.03124%0.235CC..  trans60.830.4-170-49.2-168.6000113.3Y296 N297 W298 I356 A399 A402 M407 V414Y296-L300 HydrophobicContact CD2-CD2 3.67Å; Y296-L300 HydrophobicContact CE2-CD2 3.7Å; N297-L300 WeakPolarHBondContact O-CA 3.27Å; N297-L300 PolarHBondContact O-N 3.31Å; N297-L300 PolarHBondContact OD1-N 3.15Å; W298-L300 PolarHBondContact O-N 2.89Å; L300-I356 HydrophobicContact CB-CB 4.48Å; L300-I356 HydrophobicContact CB-CG1 4.42Å; L300-I356 HydrophobicContact CB-CG2 4.32Å; L300-I356 HydrophobicContact CD2-CG2 4.12Å; L300-I356 WeakPolarHBondContact O-CG1 3.3Å; L300-A399 HydrophobicContact CB-CB 4.25Å; L300-A399 HydrophobicContact CD1-CB 3.86Å; L300-A399 HydrophobicContact CG-CB 4.12Å; L300-A402 HydrophobicContact CD1-CB 3.93Å; L300-M407 HydrophobicContact CD1-SD 4.31Å; L300-M407 HydrophobicContact CD2-CE 4.15Å; L300-M407 HydrophobicContact CD2-SD 4.01Å; L300-V414 HydrophobicContact CD2-CG2 4.16Å; L300-V414 HydrophobicContact CG-CG2 4.29Å
301W92.3Very high94.2Very high88 Ų8842 Ų4233%0.33321%0.208SC..  trans-83.2126.3168.7-59.6108000109.7Y296 N297 G299 A395 W418Y296-W301 CarbonylContact C-O 3.54Å; Y296-W301 WeakPolarHBondContact CA-O 3.45Å; Y296-W301 VanDerWaalsContact CB-O 3.24Å; Y296-W301 WeakPolarHBondContact CB-O 3.48Å; N297-W301 PolarHBondContact N-O 2.96Å; N297-W301 VanDerWaalsContact N-O 3.08Å; N297-W301 WeakPolarHBondContact OD1-CB 3.22Å; N297-W301 PolarHBondContact OD1-N 2.98Å; N297-W301 VanDerWaalsContact OD1-N 3.12Å; G299-W301 PolarHBondContact O-N 2.99Å; W301-A395 HydrophobicContact CH2-CB 3.67Å; W301-A395 HydrophobicContact CZ2-CB 4.24Å; W301-A395 HydrophobicContact CZ3-CB 4.23Å; W301-W418 AromaticContact CE2-CH2 3.98Å; W301-W418 HydrophobicContact CH2-CH2 4.28Å; W301-W418 AromaticContact CZ2-CH2 3.43Å; W301-W418 HydrophobicContact CZ2-CH2 3.43Å; W301-W418 VanDerWaalsContact CZ2-CH2 3.43Å; W301-W418 AromaticContact CZ2-CZ2 3.93Å; W301-W418 HydrophobicContact CZ2-CZ2 3.93Å; W301-W418 HydrophobicContact CZ2-CZ3 4.36Å
302C92.8Very high94.3Very high48 Ų4843.7 Ų43.732%0.32422%0.216SC..EExtended strand (participates in β ladder)trans-67.4148.117759.50000111.9G295 I327 I356G295-C302 CarbonylContact O-C 3.6Å; G295-C302 WeakPolarHBondContact O-CA 3.49Å; C302-I327 HydrophobicContact CB-CG1 4.38Å; C302-I356 HydrophobicContact CB-CD1 4.04Å
303M92.9Very high94.3Very high43 Ų4348.6 Ų48.621%0.21224%0.24CC..EExtended strand (participates in β ladder)trans-149.6154.4176.457-177.9-69.300110.3G295 I305 T519 L522G295-M303 PolarHBondContact N-O 3.33Å; G295-M303 PolarHBondContact O-N 3.16Å; M303-I305 HydrophobicContact CE-CG2 3.97Å; M303-I305 HydrophobicContact CG-CG2 4.07Å; M303-I305 HydrophobicContact SD-CG2 4.41Å; M303-T519 HydrophobicContact CE-CG2 4.46Å; M303-L522 HydrophobicContact CE-CD1 3.66Å
304Y93.8Very high94.2Very high92 Ų9255.2 Ų55.236%0.36127%0.269SS..EExtended strand (participates in β ladder)trans-72.9136165-65.8-80.8000109.4Y289 A292 H294 I327Y289-Y304 HydrophobicContact CD2-CE2 4.32Å; Y289-Y304 HydrophobicContact CE2-CE2 4.13Å; A292-Y304 HydrophobicContact CB-CD1 3.78Å; A292-Y304 HydrophobicContact CB-CG 4.38Å; H294-Y304 AromaticContact CD2-CD1 3.67Å; H294-Y304 AromaticContact CD2-CE1 3.79Å; H294-Y304 AromaticContact NE2-CD1 3.91Å; H294-Y304 AromaticContact NE2-CE1 3.58Å; Y304-I327 HydrophobicContact CD1-CD1 3.6Å; Y304-I327 HydrophobicContact CD2-CD1 3.89Å; Y304-I327 HydrophobicContact CE1-CD1 3.18Å; Y304-I327 HydrophobicContact CE2-CD1 3.48Å; Y304-I327 VanDerWaalsContact CE2-CD1 3.48Å; Y304-I327 HydrophobicContact CG-CD1 3.95Å; Y304-I327 WeakPolarHBondContact OH-CD1 3.38Å
305I94.4Very high94Very high19 Ų1957.5 Ų57.510%0.09729%0.294CS..EExtended strand (participates in β ladder)trans-124.2160.9174.862.4171.4000109.8A293 M303 P324 Y455 T519A293-I305 HydrophobicContact CB-CD1 4.1Å; A293-I305 HydrophobicContact CB-CG1 3.68Å; A293-I305 PolarHBondContact N-O 3.28Å; A293-I305 WeakPolarHBondContact O-CG1 3.26Å; A293-I305 PolarHBondContact O-N 2.84Å; M303-I305 HydrophobicContact CE-CG2 3.97Å; M303-I305 HydrophobicContact CG-CG2 4.07Å; M303-I305 HydrophobicContact SD-CG2 4.41Å; I305-P324 HydrophobicContact CD1-CG 3.9Å; I305-Y455 HydrophobicContact CD1-CD2 4.25Å; I305-Y455 HydrophobicContact CD1-CE2 3.73Å; I305-T519 HydrophobicContact CG2-CG2 4.42Å
306I93.5Very high93.9Very high103 Ų10359.2 Ų59.253%0.52830%0.303SS..PPolyproline II helixtrans-61.6136.2175.7-57.2174.2000108.4L312I306-L312 HydrophobicContact CG2-CD1 3.89Å
307P94.8Very high93.8Very high14 Ų1464.4 Ų64.49%0.09133%0.327CS..PPolyproline II helixtrans-52152.5171.8-28.336.6000112.4W311 L312 I321P307-W311 HydrophobicContact CB-CD2 4.19Å; P307-W311 HydrophobicContact CB-CE3 3.66Å; P307-W311 HydrophobicContact CB-CZ3 4.25Å; P307-W311 HydrophobicContact CG-CE3 4.12Å; P307-W311 HydrophobicContact CG-CZ3 4.2Å; P307-L312 HydrophobicContact CB-CD2 4.33Å; P307-L312 HydrophobicContact CB-CG 4.45Å; P307-I321 HydrophobicContact CB-CG2 3.96Å; P307-I321 HydrophobicContact CG-CD1 4.27Å; P307-I321 HydrophobicContact CG-CG2 4.43Å
308P93.4Very high93.8Very high39 Ų3963.6 Ų63.625%0.25332%0.324SS..PPolyproline II helixtrans-53.1143.1176.2-25.634.2000112.1E310 W311 L312 R322P308-E310 PolarHBondContact O-N 3.31Å; P308-E310 VanDerWaalsContact O-N 3.16Å; P308-W311 WeakPolarHBondContact O-CB 3.38Å; P308-W311 PolarHBondContact O-N 3.41Å; P308-L312 PolarHBondContact O-N 3.39Å; P308-R322 HydrophobicContact CG-CB 4.3Å
309Q91.4Very high93.8Very high117 Ų11763.8 Ų63.855%0.54733%0.326SS..Hα-helixtrans-55-38.8-176.9-171.261.150.200112.4W311 L312 D313Q309-W311 VanDerWaalsContact C-N 3.27Å; Q309-W311 PolarHBondContact O-N 3Å; Q309-L312 WeakPolarHBondContact O-CB 3.47Å; Q309-L312 PolarHBondContact O-N 2.96Å; Q309-L312 VanDerWaalsContact O-N 3.11Å; Q309-D313 PolarHBondContact NE2-OD1 3.07Å; Q309-D313 WeakPolarHBondContact O-CB 3.4Å; Q309-D313 PolarHBondContact O-N 2.88Å
310E92.3Very high93.9Very high165 Ų16565.3 Ų65.377%0.77134%0.335SS*.Hα-helixtrans-57-39175.8-175.5-174.5172.900112.9P308 K314P308-E310 PolarHBondContact O-N 3.31Å; P308-E310 VanDerWaalsContact O-N 3.16Å; E310-K314 WeakPolarHBondContact O-CB 3.5Å; E310-K314 PolarHBondContact O-N 3.15Å; E310-K314 VanDerWaalsContact O-N 3.1Å
311W95.1Very high94Very high36 Ų3665 Ų6514%0.13633%0.334CS..Hα-helixtrans-69-41.5177.2-175.595.8000111.1P307 P308 Q309 K314 G315 A319 P320 I321 P373P307-W311 HydrophobicContact CB-CD2 4.19Å; P307-W311 HydrophobicContact CB-CE3 3.66Å; P307-W311 HydrophobicContact CB-CZ3 4.25Å; P307-W311 HydrophobicContact CG-CE3 4.12Å; P307-W311 HydrophobicContact CG-CZ3 4.2Å; P308-W311 WeakPolarHBondContact O-CB 3.38Å; P308-W311 PolarHBondContact O-N 3.41Å; Q309-W311 VanDerWaalsContact C-N 3.27Å; Q309-W311 PolarHBondContact O-N 3Å; W311-K314 PolarHBondContact O-N 2.85Å; W311-G315 PolarHBondContact O-N 3.5Å; W311-A319 PolarHBondContact NE1-O 2.88Å; W311-P320 VanDerWaalsContact CD1-O 3.25Å; W311-I321 HydrophobicContact CD2-CG1 3.98Å; W311-I321 HydrophobicContact CG-CG1 4.19Å; W311-I321 HydrophobicContact CH2-CD1 4.35Å; W311-I321 HydrophobicContact CZ2-CD1 3.95Å; W311-I321 HydrophobicContact CZ2-CG1 3.91Å; W311-P373 HydrophobicContact CZ2-CG 4.29Å
312L93.7Very high94.2Very high69 Ų6965.4 Ų65.436%0.36134%0.335SS..Hα-helixtrans-62.4-44.8176-64173000111.3I306 P307 P308 Q309 K314 G315I306-L312 HydrophobicContact CG2-CD1 3.89Å; P307-L312 HydrophobicContact CB-CD2 4.33Å; P307-L312 HydrophobicContact CB-CG 4.45Å; P308-L312 PolarHBondContact O-N 3.39Å; Q309-L312 WeakPolarHBondContact O-CB 3.47Å; Q309-L312 PolarHBondContact O-N 2.96Å; Q309-L312 VanDerWaalsContact O-N 3.11Å; L312-K314 VanDerWaalsContact C-N 3.3Å; L312-K314 PolarHBondContact O-N 3.43Å; L312-G315 PolarHBondContact O-N 3.24Å; L312-G315 VanDerWaalsContact O-N 3.15Å
313D94.8Very high94.4Very high119 Ų11963.1 Ų63.164%0.63632%0.32SS*.Hα-helixtrans-64.4-35-179.8-66.3-17.6000111.9Q309 G315Q309-D313 PolarHBondContact NE2-OD1 3.07Å; Q309-D313 WeakPolarHBondContact O-CB 3.4Å; Q309-D313 PolarHBondContact O-N 2.88Å; D313-G315 VanDerWaalsContact C-N 3.31Å; D313-G315 PolarHBondContact O-N 3.34Å
314K94.1Very high94.6Very high139 Ų13961.3 Ų61.360%0.60431%0.311SS*.Hα-helixtrans-66.7-32.2175.7-171.1179.5175.7-171.70112.4E310 W311 L312 D316E310-K314 WeakPolarHBondContact O-CB 3.5Å; E310-K314 PolarHBondContact O-N 3.15Å; E310-K314 VanDerWaalsContact O-N 3.1Å; W311-K314 PolarHBondContact O-N 2.85Å; L312-K314 VanDerWaalsContact C-N 3.3Å; L312-K314 PolarHBondContact O-N 3.43Å; K314-D316 HydrophobicContact CD-CB 4.13Å; K314-D316 HydrophobicContact CG-CB 4Å; K314-D316 IonicContact NZ-OD2 3.74Å; K314-D316 PolarHBondContact O-N 3.38Å; K314-D316 VanDerWaalsContact O-N 3.15Å
315G91.7Very high94.7Very high54 Ų5457 Ų5756%0.55729%0.294SS*.THydrogen-bonded Turntrans62.718.4178.900000114.7W311 L312 D313W311-G315 PolarHBondContact O-N 3.5Å; L312-G315 PolarHBondContact O-N 3.24Å; L312-G315 VanDerWaalsContact O-N 3.15Å; D313-G315 VanDerWaalsContact C-N 3.31Å; D313-G315 PolarHBondContact O-N 3.34Å
316D93.8Very high94.6Very high35 Ų3556.1 Ų56.119%0.18729%0.29CS..  trans-97.995.2178.9-179.913.2000110.5K314 T318 A319K314-D316 HydrophobicContact CD-CB 4.13Å; K314-D316 HydrophobicContact CG-CB 4Å; K314-D316 IonicContact NZ-OD2 3.74Å; K314-D316 PolarHBondContact O-N 3.38Å; K314-D316 VanDerWaalsContact O-N 3.15Å; D316-T318 PolarHBondContact O-N 3.47Å; D316-T318 WeakPolarHBondContact OD1-CB 3.22Å; D316-T318 PolarHBondContact OD1-N 2.89Å; D316-T318 VanDerWaalsContact OD1-N 3.07Å; D316-T318 PolarHBondContact OD1-OG1 2.93Å; D316-T318 PolarHBondContact OD2-OG1 3.38Å; D316-A319 HydrophobicContact CB-CB 4.19Å; D316-A319 VanDerWaalsContact O-CB 3.3Å; D316-A319 WeakPolarHBondContact O-CB 3.21Å; D316-A319 PolarHBondContact O-N 3.21Å
317E92.3Very high94.3Very high109 Ų10952.3 Ų52.351%0.50927%0.27SS..THydrogen-bonded Turntrans-63.4-8.7179.4-62.5179.7170.400114.3P139 P373P139-E317 HydrophobicContact CB-CB 3.97Å; P139-E317 HydrophobicContact CG-CB 4.05Å; E317-P373 WeakPolarHBondContact O-CB 3.24Å; E317-P373 WeakPolarHBondContact O-CG 3.42Å
318T95.2Very high93.7Very high30 Ų3052.2 Ų52.218%0.18427%0.272CS..THydrogen-bonded Turntrans-89-16173.571.10000113.2K141 L145 D316K141-T318 HydrophobicContact CB-CG2 3.33Å; K141-T318 HydrophobicContact CD-CG2 4.33Å; K141-T318 HydrophobicContact CG-CG2 4.48Å; L145-T318 HydrophobicContact CD1-CG2 4.36Å; D316-T318 PolarHBondContact O-N 3.47Å; D316-T318 WeakPolarHBondContact OD1-CB 3.22Å; D316-T318 PolarHBondContact OD1-N 2.89Å; D316-T318 VanDerWaalsContact OD1-N 3.07Å; D316-T318 PolarHBondContact OD1-OG1 2.93Å; D316-T318 PolarHBondContact OD2-OG1 3.38Å
319A96.1Very high93.4Very high7 Ų750.9 Ų50.96%0.05826%0.263CS..SBendtrans-69.9142.8-17600000111.1W311 D316 P373W311-A319 PolarHBondContact NE1-O 2.88Å; D316-A319 HydrophobicContact CB-CB 4.19Å; D316-A319 VanDerWaalsContact O-CB 3.3Å; D316-A319 WeakPolarHBondContact O-CB 3.21Å; D316-A319 PolarHBondContact O-N 3.21Å; A319-P373 WeakPolarHBondContact O-CD 3.4Å
320P97.2Very high93.5Very high40 Ų4045.5 Ų45.526%0.2624%0.239SC..  trans-55.9140.6170-22.832.3000111.9W311 E370 L372W311-P320 VanDerWaalsContact CD1-O 3.25Å; P320-E370 HydrophobicContact CB-CB 4.17Å; P320-E370 HydrophobicContact CB-CG 4.34Å; P320-E370 WeakPolarHBondContact CB-OE2 3.37Å; P320-L372 HydrophobicContact CB-CD2 3.53Å; P320-L372 HydrophobicContact CG-CD2 3.66Å
321I97.8Very high93.7Very high0 Ų037.7 Ų37.70%020%0.202CC..EExtended strand (participates in β ladder)trans-99.9114.5175.1-58.6170.1000108N291 A293 P307 W311 T323 E370 V371 P373N291-I321 HydrophobicContact CB-CD1 3.83Å; A293-I321 HydrophobicContact CB-CG2 3.8Å; P307-I321 HydrophobicContact CB-CG2 3.96Å; P307-I321 HydrophobicContact CG-CD1 4.27Å; P307-I321 HydrophobicContact CG-CG2 4.43Å; W311-I321 HydrophobicContact CD2-CG1 3.98Å; W311-I321 HydrophobicContact CG-CG1 4.19Å; W311-I321 HydrophobicContact CH2-CD1 4.35Å; W311-I321 HydrophobicContact CZ2-CD1 3.95Å; W311-I321 HydrophobicContact CZ2-CG1 3.91Å; I321-T323 PolarHBondContact O-N 3.27Å; I321-E370 CarbonylContact O-C 3.57Å; I321-E370 VanDerWaalsContact O-CA 3.29Å; I321-E370 WeakPolarHBondContact O-CA 3.42Å; I321-V371 HydrophobicContact CB-CB 4.26Å; I321-V371 PolarHBondContact N-O 3.08Å; I321-V371 PolarHBondContact O-N 2.86Å; I321-P373 HydrophobicContact CD1-CG 3.93Å; I321-P373 HydrophobicContact CG1-CG 4.17Å
322R97.1Very high93.9Very high96 Ų9636 Ų3636%0.36220%0.196SC..EExtended strand (participates in β ladder)trans-62.4133172.6-171-178.3175.4-153.7-2.2110P308 W363 H453P308-R322 HydrophobicContact CG-CB 4.3Å; R322-W363 HydrophobicContact CG-CH2 3.61Å; R322-W363 HydrophobicContact CG-CZ2 3.47Å; R322-W363 VanDerWaalsContact CG-CZ2 3.47Å; R322-W363 VanDerWaalsContact NH2-CZ3 3.28Å; R322-H453 PolarHBondContact NH1-O 3.06Å; R322-H453 PolarHBondContact NH2-O 3.48Å
323T97.6Very high94.1Very high0 Ų032.7 Ų32.70%018%0.178CC..  trans-132133.5-174.2-176.90000112.3L273 H294 I321 A325 W363 M369 V371L273-T323 HydrophobicContact CD1-CG2 3.85Å; H294-T323 WeakPolarHBondContact CA-OG1 3.28Å; H294-T323 WeakPolarHBondContact CB-OG1 3.4Å; H294-T323 PolarHBondContact N-OG1 3.23Å; H294-T323 PolarHBondContact O-OG1 3.11Å; I321-T323 PolarHBondContact O-N 3.27Å; T323-A325 WeakPolarHBondContact CG2-O 3.46Å; T323-A325 PolarHBondContact OG1-O 3.25Å; T323-W363 PolarHBondContact O-NE1 3.25Å; T323-M369 HydrophobicContact CG2-CB 3.67Å; T323-M369 PolarHBondContact N-O 2.77Å; T323-M369 VanDerWaalsContact N-O 3.08Å; T323-V371 HydrophobicContact CG2-CG2 4.03Å
324P97.2Very high94.3Very high5 Ų528.2 Ų28.23%0.03215%0.154CC..SBendtrans-62-41.6176.8-2531000114.7H294 I305 Y450 V454 Y455H294-P324 VanDerWaalsContact O-CD 3.24Å; H294-P324 WeakPolarHBondContact O-CD 3.42Å; I305-P324 HydrophobicContact CD1-CG 3.9Å; P324-Y450 VanDerWaalsContact CB-OH 3.25Å; P324-Y450 WeakPolarHBondContact CB-OH 3.14Å; P324-Y450 PolarHBondContact O-OH 3.26Å; P324-V454 HydrophobicContact CB-CG1 4.19Å; P324-Y455 HydrophobicContact CB-CD1 3.94Å; P324-Y455 HydrophobicContact CB-CD2 4.33Å; P324-Y455 HydrophobicContact CB-CG 3.79Å; P324-Y455 HydrophobicContact CG-CD1 4.21Å; P324-Y455 HydrophobicContact CG-CD2 3.71Å; P324-Y455 HydrophobicContact CG-CE2 4.32Å; P324-Y455 HydrophobicContact CG-CG 3.65Å
325A95Very high94.5Very high0 Ų024.8 Ų24.80%014%0.138CC..SBendtrans-136.4-169.7-177.700000110.5H294 Y296 T323 I356H294-A325 WeakPolarHBondContact CB-O 3.4Å; H294-A325 PolarHBondContact O-N 3.11Å; Y296-A325 HydrophobicContact CD1-CB 3.73Å; Y296-A325 HydrophobicContact CE1-CB 4.03Å; T323-A325 WeakPolarHBondContact CG2-O 3.46Å; T323-A325 PolarHBondContact OG1-O 3.25Å; A325-I356 HydrophobicContact CB-CD1 3.76Å
326M92.9Very high94.8Very high1 Ų128 Ų281%0.00514%0.138CC..  trans-125148170.968.3-173.7-164.300111.4L273 F331 N355 L358 M369L273-M326 HydrophobicContact CD1-CB 3.41Å; L273-M326 VanDerWaalsContact CD1-CB 3.41Å; L273-M326 HydrophobicContact CD2-CB 3.63Å; L273-M326 HydrophobicContact CD2-SD 4.16Å; L273-M326 HydrophobicContact CG-CB 4.18Å; M326-F331 HydrophobicContact CE-CD1 3.46Å; M326-F331 VanDerWaalsContact CE-CD1 3.46Å; M326-F331 HydrophobicContact CE-CE1 3.7Å; M326-F331 HydrophobicContact CE-CG 4.01Å; M326-F331 HydrophobicContact CE-CZ 4.4Å; M326-F331 HydrophobicContact SD-CB 3.66Å; M326-F331 HydrophobicContact SD-CD1 3.72Å; M326-F331 HydrophobicContact SD-CD2 4.46Å; M326-F331 HydrophobicContact SD-CE1 4.48Å; M326-F331 HydrophobicContact SD-CG 3.71Å; M326-N355 HydrophobicContact CE-CB 3.94Å; M326-N355 HydrophobicContact CG-CB 3.83Å; M326-N355 WeakPolarHBondContact O-CB 3.41Å; M326-N355 PolarHBondContact O-ND2 2.94Å; M326-L358 HydrophobicContact CE-CD2 3.6Å; M326-L358 HydrophobicContact SD-CD2 3.94Å; M326-M369 HydrophobicContact CB-CE 3.75Å; M326-M369 HydrophobicContact CG-CE 4.02Å; M326-M369 HydrophobicContact SD-CE 3.77Å
327I87.7Confident95Very high24 Ų2426.8 Ų26.812%0.12313%0.131CC..  trans-74.2133.4160.9-66.4174.2000107.1H294 C302 Y304 C329H294-I327 HydrophobicContact CB-CG1 4.15Å; H294-I327 PolarHBondContact ND1-N 3.19Å; C302-I327 HydrophobicContact CB-CG1 4.38Å; Y304-I327 HydrophobicContact CD1-CD1 3.6Å; Y304-I327 HydrophobicContact CD2-CD1 3.89Å; Y304-I327 HydrophobicContact CE1-CD1 3.18Å; Y304-I327 HydrophobicContact CE2-CD1 3.48Å; Y304-I327 VanDerWaalsContact CE2-CD1 3.48Å; Y304-I327 HydrophobicContact CG-CD1 3.95Å; Y304-I327 WeakPolarHBondContact OH-CD1 3.38Å; I327-C329 PolarHBondContact O-N 3.2Å
328G81.1Confident95.3Very high12 Ų1221.6 Ų21.612%0.12411%0.107CC..THydrogen-bonded Turntrans-63.7-9-166.300000116.1R231 S330R231-G328 PolarHBondContact NH1-O 3.42Å; R231-G328 PolarHBondContact NH2-O 2.82Å; G328-S330 PolarHBondContact O-N 3.47Å
329C86.8Confident95.5Very high11 Ų1121.6 Ų21.67%0.07411%0.112CC..THydrogen-bonded Turntrans-68.7-29.3-172.666.20000115F246 D247 I327F246-C329 WeakPolarHBondContact CA-O 3.45Å; D247-C329 PolarHBondContact N-O 3.3Å; D247-C329 WeakPolarHBondContact OD2-CA 3.3Å; I327-C329 PolarHBondContact O-N 3.2Å
330S93.8Very high95.5Very high4 Ų426.9 Ų26.93%0.02814%0.136CC..EExtended strand (participates in β ladder)trans-161.8152.3178.164.60000114.2F245 L273 P274 G328F245-S330 CarbonylContact O-C 3.45Å; F245-S330 WeakPolarHBondContact O-CA 3.24Å; F245-S330 WeakPolarHBondContact O-CB 3.46Å; L273-S330 WeakPolarHBondContact CD2-O 3.11Å; P274-S330 WeakPolarHBondContact CD-OG 3.36Å; P274-S330 WeakPolarHBondContact CG-OG 3.38Å; G328-S330 PolarHBondContact O-N 3.47Å
331F97.5Very high95.5Very high0 Ų025 Ų250%012%0.124CC..EExtended strand (participates in β ladder)trans-162.8154.3166.866-78.5000110.7F245 I271 L273 M326 V333 F338 L358F245-F331 HydrophobicContact CB-CD1 4.02Å; F245-F331 HydrophobicContact CB-CE1 3.65Å; F245-F331 HydrophobicContact CB-CZ 4.02Å; F245-F331 HydrophobicContact CD2-CD1 4.42Å; F245-F331 HydrophobicContact CD2-CD2 4.05Å; F245-F331 AromaticContact CD2-CE1 3.79Å; F245-F331 HydrophobicContact CD2-CE1 3.79Å; F245-F331 AromaticContact CD2-CE2 3.37Å; F245-F331 HydrophobicContact CD2-CE2 3.37Å; F245-F331 AromaticContact CD2-CZ 3.22Å; F245-F331 HydrophobicContact CD2-CZ 3.22Å; F245-F331 AromaticContact CE2-CE2 3.82Å; F245-F331 HydrophobicContact CE2-CE2 3.82Å; F245-F331 AromaticContact CE2-CZ 3.82Å; F245-F331 HydrophobicContact CE2-CZ 3.82Å; F245-F331 AromaticContact CG-CE1 3.9Å; F245-F331 HydrophobicContact CG-CE1 3.9Å; F245-F331 HydrophobicContact CG-CE2 4.3Å; F245-F331 AromaticContact CG-CZ 3.73Å; F245-F331 HydrophobicContact CG-CZ 3.73Å; F245-F331 PolarHBondContact N-O 3.26Å; F245-F331 PolarHBondContact O-N 2.88Å; I271-F331 HydrophobicContact CG2-CB 3.84Å; I271-F331 HydrophobicContact CG2-CD2 3.91Å; I271-F331 HydrophobicContact CG2-CG 4.3Å; L273-F331 HydrophobicContact CD2-CB 3.41Å; L273-F331 VanDerWaalsContact CD2-CB 3.41Å; M326-F331 HydrophobicContact CE-CD1 3.46Å; M326-F331 VanDerWaalsContact CE-CD1 3.46Å; M326-F331 HydrophobicContact CE-CE1 3.7Å; M326-F331 HydrophobicContact CE-CG 4.01Å; M326-F331 HydrophobicContact CE-CZ 4.4Å; M326-F331 HydrophobicContact SD-CB 3.66Å; M326-F331 HydrophobicContact SD-CD1 3.72Å; M326-F331 HydrophobicContact SD-CD2 4.46Å; M326-F331 HydrophobicContact SD-CE1 4.48Å; M326-F331 HydrophobicContact SD-CG 3.71Å; F331-V333 HydrophobicContact CD2-CB 4.29Å; F331-V333 HydrophobicContact CD2-CG1 4.19Å; F331-V333 HydrophobicContact CE2-CB 4.42Å; F331-V333 HydrophobicContact CE2-CG1 3.9Å; F331-F338 HydrophobicContact CE2-CE2 4.13Å; F331-F338 HydrophobicContact CE2-CZ 4.11Å; F331-F338 HydrophobicContact CZ-CE2 4.46Å; F331-F338 HydrophobicContact CZ-CZ 4.06Å; F331-L358 HydrophobicContact CD2-CD2 4.38Å; F331-L358 HydrophobicContact CE2-CD2 4.1Å; F331-L358 HydrophobicContact CZ-CD2 4.33Å
332V98.5Very high95.4Very high0 Ų026 Ų260%013%0.134CC..EExtended strand (participates in β ladder)trans-122.3132.7177.3-1690000109.3I154 V242 V243 F246 W256 I260 M264 I272I154-V332 HydrophobicContact CD1-CG1 3.78Å; V242-V332 HydrophobicContact CG1-CG1 3.32Å; V243-V332 WeakPolarHBondContact O-CA 3.37Å; F246-V332 HydrophobicContact CE2-CG2 4.39Å; F246-V332 HydrophobicContact CZ-CG2 3.96Å; W256-V332 HydrophobicContact CZ3-CG2 4.4Å; I260-V332 HydrophobicContact CD1-CG2 4.06Å; I260-V332 HydrophobicContact CG2-CB 3.78Å; I260-V332 HydrophobicContact CG2-CG1 3.76Å; I260-V332 HydrophobicContact CG2-CG2 4.04Å; M264-V332 HydrophobicContact SD-CB 4.33Å; M264-V332 HydrophobicContact SD-CG1 3.66Å; I272-V332 PolarHBondContact N-O 3.44Å; I272-V332 PolarHBondContact O-N 3.31Å
333V98.6Very high95.4Very high0 Ų022.6 Ų22.60%012%0.123CC..EExtended strand (participates in β ladder)trans-146150.1-171.466.40000111.4V243 F245 I271 F331 Y337 F338V243-V333 PolarHBondContact N-O 2.86Å; V243-V333 PolarHBondContact O-N 2.88Å; F245-V333 HydrophobicContact CD2-CG1 4.5Å; F245-V333 HydrophobicContact CE2-CG1 4Å; I271-V333 HydrophobicContact CD1-CB 4.47Å; I271-V333 HydrophobicContact CD1-CG2 3.99Å; I271-V333 HydrophobicContact CG1-CB 4.33Å; I271-V333 HydrophobicContact CG1-CG2 3.83Å; F331-V333 HydrophobicContact CD2-CB 4.29Å; F331-V333 HydrophobicContact CD2-CG1 4.19Å; F331-V333 HydrophobicContact CE2-CB 4.42Å; F331-V333 HydrophobicContact CE2-CG1 3.9Å; V333-Y337 HydrophobicContact CG2-CD1 4.03Å; V333-F338 HydrophobicContact CG1-CB 3.84Å; V333-F338 HydrophobicContact CG1-CD1 4.22Å; V333-F338 HydrophobicContact CG1-CD2 4.14Å; V333-F338 HydrophobicContact CG1-CG 3.83Å; V333-F338 HydrophobicContact CG2-CB 3.86Å; V333-F338 HydrophobicContact CG2-CD2 4.2Å; V333-F338 HydrophobicContact CG2-CG 4.3Å
334D98.7Very high95.4Very high25 Ų2522.6 Ų22.613%0.13412%0.123CC..EExtended strand (participates in β ladder)trans-67.1133.2171.6176.3-82.2000109.3M264 H268 E336 Y337 F338M264-D334 HydrophobicContact CE-CB 4.05Å; H268-D334 HydrophobicContact CB-CB 4.07Å; H268-D334 WeakPolarHBondContact O-CB 3.43Å; D334-E336 VanDerWaalsContact C-N 3.34Å; D334-E336 PolarHBondContact O-N 2.68Å; D334-E336 PolarHBondContact OD1-N 3.46Å; D334-Y337 PolarHBondContact OD1-N 2.81Å; D334-F338 WeakPolarHBondContact O-CB 3.47Å; D334-F338 PolarHBondContact O-N 2.88Å
335R98.5Very high95.4Very high68 Ų6822.6 Ų22.626%0.25712%0.123SC..Hα-helixtrans-63.8-41.6-170.8-168.7-173.464.477.710.2111.6W235 S240 P241 V243 G339W235-R335 HydrophobicContact CZ2-CG 4.45Å; W235-R335 PolarHBondContact NE1-O 3.36Å; S240-R335 WeakPolarHBondContact O-CD 3.44Å; P241-R335 VanDerWaalsContact O-CB 3.32Å; P241-R335 WeakPolarHBondContact O-CB 3.25Å; P241-R335 PolarHBondContact O-N 2.82Å; V243-R335 HydrophobicContact CG2-CB 3.88Å; V243-R335 HydrophobicContact CG2-CG 3.82Å; R335-G339 PolarHBondContact O-N 2.97Å
336E98.1Very high95.4Very high121 Ų12125.2 Ų25.257%0.56514%0.14SC*.Hα-helixtrans-74.3-48.6-176.9-66-173.8171.700109.8D334 F338 G339 E340D334-E336 VanDerWaalsContact C-N 3.34Å; D334-E336 PolarHBondContact O-N 2.68Å; D334-E336 PolarHBondContact OD1-N 3.46Å; E336-F338 VanDerWaalsContact C-N 3.28Å; E336-F338 PolarHBondContact O-N 2.8Å; E336-G339 WeakPolarHBondContact O-CA 3.44Å; E336-G339 PolarHBondContact O-N 2.85Å; E336-E340 WeakPolarHBondContact O-CG 3.07Å; E336-E340 PolarHBondContact O-N 3.03Å
337Y98.4Very high95.6Very high10 Ų1026.1 Ų26.14%0.03915%0.15CC..Hα-helixtrans-54.9-44.1175.1176.4-118.4000111.9T269 I271 V333 D334 G339 E340 I341 G367T269-Y337 HydrophobicContact CG2-CD2 4.13Å; T269-Y337 HydrophobicContact CG2-CE2 4.04Å; T269-Y337 WeakPolarHBondContact O-CE1 3.15Å; T269-Y337 PolarHBondContact O-OH 3.27Å; I271-Y337 HydrophobicContact CG1-CE1 4.46Å; V333-Y337 HydrophobicContact CG2-CD1 4.03Å; D334-Y337 PolarHBondContact OD1-N 2.81Å; Y337-G339 VanDerWaalsContact C-N 3.26Å; Y337-G339 PolarHBondContact O-N 2.82Å; Y337-E340 WeakPolarHBondContact O-CB 3.42Å; Y337-E340 PolarHBondContact O-N 3.23Å; Y337-E340 VanDerWaalsContact O-N 3.15Å; Y337-I341 HydrophobicContact CD2-CG2 3.93Å; Y337-I341 HydrophobicContact CE1-CD1 4.12Å; Y337-I341 HydrophobicContact CE1-CG2 4.34Å; Y337-I341 HydrophobicContact CE2-CG2 3.35Å; Y337-I341 WeakPolarHBondContact O-CG1 3.25Å; Y337-I341 PolarHBondContact O-N 3.45Å; Y337-G367 WeakPolarHBondContact OH-CA 3.39Å
338F98.4Very high95.9Very high0 Ų025 Ų250%014%0.144CC..Hα-helixtrans-59.8-38.3178-166.2-133000112.3W235 F245 F331 V333 D334 E336 I341 G342 L343 L344 L358W235-F338 AromaticContact CD1-CD1 3.64Å; W235-F338 HydrophobicContact CG-CD1 4.17Å; W235-F338 AromaticContact NE1-CD1 3.93Å; F245-F338 HydrophobicContact CE2-CD1 4.3Å; F245-F338 HydrophobicContact CE2-CE1 4.03Å; F245-F338 HydrophobicContact CZ-CD1 4.43Å; F245-F338 HydrophobicContact CZ-CE1 4.07Å; F331-F338 HydrophobicContact CE2-CE2 4.13Å; F331-F338 HydrophobicContact CE2-CZ 4.11Å; F331-F338 HydrophobicContact CZ-CE2 4.46Å; F331-F338 HydrophobicContact CZ-CZ 4.06Å; V333-F338 HydrophobicContact CG1-CB 3.84Å; V333-F338 HydrophobicContact CG1-CD1 4.22Å; V333-F338 HydrophobicContact CG1-CD2 4.14Å; V333-F338 HydrophobicContact CG1-CG 3.83Å; V333-F338 HydrophobicContact CG2-CB 3.86Å; V333-F338 HydrophobicContact CG2-CD2 4.2Å; V333-F338 HydrophobicContact CG2-CG 4.3Å; D334-F338 WeakPolarHBondContact O-CB 3.47Å; D334-F338 PolarHBondContact O-N 2.88Å; E336-F338 VanDerWaalsContact C-N 3.28Å; E336-F338 PolarHBondContact O-N 2.8Å; F338-I341 HydrophobicContact CD2-CD1 4.17Å; F338-I341 HydrophobicContact CD2-CG1 4.36Å; F338-I341 WeakPolarHBondContact O-CG1 3.24Å; F338-G342 PolarHBondContact O-N 2.74Å; F338-L343 HydrophobicContact CB-CD2 4.39Å; F338-L343 HydrophobicContact CD1-CD2 3.31Å; F338-L343 HydrophobicContact CE1-CB 4.24Å; F338-L343 HydrophobicContact CE1-CD2 3.7Å; F338-L343 HydrophobicContact CG-CD2 3.91Å; F338-L343 HydrophobicContact CZ-CB 4.44Å; F338-L343 WeakPolarHBondContact O-CA 3.49Å; F338-L343 PolarHBondContact O-N 3.12Å; F338-L344 HydrophobicContact CE2-CD2 4.48Å; F338-L344 HydrophobicContact CZ-CD2 4.16Å; F338-L344 HydrophobicContact CZ-CG 4Å; F338-L358 HydrophobicContact CE2-CD1 4.08Å; F338-L358 HydrophobicContact CE2-CD2 4.22Å
339G97.8Very high96.4Very high29 Ų2927.2 Ų27.230%0.29915%0.151SC..Hα-helixtrans-66.9-44.3173.700000112.7R335 E336 Y337 I341 G342R335-G339 PolarHBondContact O-N 2.97Å; E336-G339 WeakPolarHBondContact O-CA 3.44Å; E336-G339 PolarHBondContact O-N 2.85Å; Y337-G339 VanDerWaalsContact C-N 3.26Å; Y337-G339 PolarHBondContact O-N 2.82Å; G339-I341 VanDerWaalsContact C-N 3.35Å; G339-I341 PolarHBondContact O-N 2.82Å; G339-G342 WeakPolarHBondContact O-CA 3.38Å; G339-G342 PolarHBondContact O-N 3.43Å
340E96.8Very high96.4Very high118 Ų11828.2 Ų28.255%0.55116%0.156SC*.Hα-helixtrans-60.2-42.3178.6-70.2172.9176.200112.4E336 Y337 G342E336-E340 WeakPolarHBondContact O-CG 3.07Å; E336-E340 PolarHBondContact O-N 3.03Å; Y337-E340 WeakPolarHBondContact O-CB 3.42Å; Y337-E340 PolarHBondContact O-N 3.23Å; Y337-E340 VanDerWaalsContact O-N 3.15Å; E340-G342 PolarHBondContact O-N 2.68Å
341I97Very high96.1Very high0 Ų031.2 Ų31.20%017%0.168CC..THydrogen-bonded Turntrans-76.8-0.7176.366.3169.8000112.7Y337 F338 G339 L358 R361 V362 L438 M442Y337-I341 HydrophobicContact CD2-CG2 3.93Å; Y337-I341 HydrophobicContact CE1-CD1 4.12Å; Y337-I341 HydrophobicContact CE1-CG2 4.34Å; Y337-I341 HydrophobicContact CE2-CG2 3.35Å; Y337-I341 WeakPolarHBondContact O-CG1 3.25Å; Y337-I341 PolarHBondContact O-N 3.45Å; F338-I341 HydrophobicContact CD2-CD1 4.17Å; F338-I341 HydrophobicContact CD2-CG1 4.36Å; F338-I341 WeakPolarHBondContact O-CG1 3.24Å; G339-I341 VanDerWaalsContact C-N 3.35Å; G339-I341 PolarHBondContact O-N 2.82Å; I341-L358 HydrophobicContact CD1-CD1 3.9Å; I341-R361 VanDerWaalsContact CG1-NH1 3.34Å; I341-R361 WeakPolarHBondContact O-CD 3.48Å; I341-R361 PolarHBondContact O-NH1 3.2Å; I341-V362 HydrophobicContact CD1-CG2 3.92Å; I341-L438 WeakPolarHBondContact O-CD2 3.42Å; I341-M442 HydrophobicContact CB-CE 4.45Å; I341-M442 HydrophobicContact CB-SD 4.46Å; I341-M442 HydrophobicContact CG2-CE 3.76Å; I341-M442 HydrophobicContact CG2-SD 4.39Å
342G96.8Very high95.6Very high22 Ų2231.4 Ų31.423%0.22717%0.17CC..THydrogen-bonded Turntrans84.833.2174.500000115.5F338 G339 E340 R435F338-G342 PolarHBondContact O-N 2.74Å; G339-G342 WeakPolarHBondContact O-CA 3.38Å; G339-G342 PolarHBondContact O-N 3.43Å; E340-G342 PolarHBondContact O-N 2.68Å; G342-R435 PolarHBondContact O-NH1 2.67Å
343L97.1Very high95.3Very high24 Ų2431.7 Ų31.713%0.12617%0.173CC..  trans50.7-146.5173.9-53.7178.5000112.9I232 W235 F338 R361I232-L343 HydrophobicContact CG1-CB 4.28Å; I232-L343 HydrophobicContact CG1-CD1 4.33Å; I232-L343 HydrophobicContact CG2-CD1 3.93Å; W235-L343 HydrophobicContact CD2-CD1 4.29Å; W235-L343 HydrophobicContact CD2-CD2 3.56Å; W235-L343 HydrophobicContact CE3-CD1 3.77Å; W235-L343 HydrophobicContact CE3-CD2 3.89Å; W235-L343 HydrophobicContact CG-CD2 3.98Å; W235-L343 HydrophobicContact CH2-CD2 4.28Å; W235-L343 HydrophobicContact CZ2-CD2 3.97Å; W235-L343 HydrophobicContact CZ3-CD1 3.91Å; W235-L343 HydrophobicContact CZ3-CD2 4.24Å; F338-L343 HydrophobicContact CB-CD2 4.39Å; F338-L343 HydrophobicContact CD1-CD2 3.31Å; F338-L343 HydrophobicContact CE1-CB 4.24Å; F338-L343 HydrophobicContact CE1-CD2 3.7Å; F338-L343 HydrophobicContact CG-CD2 3.91Å; F338-L343 HydrophobicContact CZ-CB 4.44Å; F338-L343 WeakPolarHBondContact O-CA 3.49Å; F338-L343 PolarHBondContact O-N 3.12Å; L343-R361 PolarHBondContact O-NH1 3.4Å; L343-R361 PolarHBondContact O-NH2 3.02Å
344L96.8Very high95.1Very high1 Ų131.8 Ų31.81%0.00517%0.174CC..SBendtrans-88.3159.7165.2-59.8178.6000110.2I228 R231 I232 F338 P346 E354 L358I228-L344 HydrophobicContact CB-CD1 4.44Å; I228-L344 HydrophobicContact CG2-CB 3.61Å; I228-L344 HydrophobicContact CG2-CD1 4.08Å; R231-L344 HydrophobicContact CB-CD1 4.03Å; R231-L344 HydrophobicContact CG-CD1 4.11Å; I232-L344 HydrophobicContact CD1-CB 4.48Å; F338-L344 HydrophobicContact CE2-CD2 4.48Å; F338-L344 HydrophobicContact CZ-CD2 4.16Å; F338-L344 HydrophobicContact CZ-CG 4Å; L344-P346 WeakPolarHBondContact O-CD 3.26Å; L344-E354 HydrophobicContact CD1-CG 4.2Å; L344-L358 HydrophobicContact CD2-CB 4.34Å; L344-L358 HydrophobicContact CD2-CD2 4.11Å
345D97.3Very high94.9Very high5 Ų531 Ų313%0.02717%0.169CC..  trans-67.4107.7175.5177.59.1000111I228 G347 M348 R401I228-D345 WeakPolarHBondContact CG2-O 3.3Å; D345-G347 PolarHBondContact O-N 3.46Å; D345-G347 VanDerWaalsContact O-N 3.1Å; D345-G347 PolarHBondContact OD1-N 3.27Å; D345-M348 HydrophobicContact CB-CE 4.37Å; D345-M348 HydrophobicContact CB-CG 3.96Å; D345-M348 HydrophobicContact CB-SD 4.24Å; D345-M348 WeakPolarHBondContact O-CB 3.3Å; D345-M348 PolarHBondContact O-N 2.8Å; D345-R401 IonicContact OD1-CZ 3.93Å; D345-R401 IonicContact OD1-NE 3.23Å; D345-R401 IonicContact OD1-NH2 3.87Å; D345-R401 PolarHBondContact OD1-NH2 3.07Å; D345-R401 IonicContact OD2-CZ 2.57Å; D345-R401 VanDerWaalsContact OD2-CZ 3.29Å; D345-R401 IonicContact OD2-NE 3.45Å; D345-R401 PolarHBondContact OD2-NE 3.49Å; D345-R401 IonicContact OD2-NH2 3.77Å; D345-R401 PolarHBondContact OD2-NH2 3.27Å
346P95.5Very high94.8Very high55 Ų5527.8 Ų27.836%0.35716%0.157SC..THydrogen-bonded Turntrans-68.2-13-176.531.1-36.6000113.2R229 I232 L344 M348R229-P346 PolarHBondContact NH1-O 2.89Å; I232-P346 HydrophobicContact CD1-CB 4.19Å; L344-P346 WeakPolarHBondContact O-CD 3.26Å; P346-M348 VanDerWaalsContact C-N 3.33Å
347G95.9Very high94.8Very high20 Ų2022.1 Ų22.121%0.20613%0.131CC..THydrogen-bonded Turntrans-81.8-7.7173.400000114D345 R397 R401D345-G347 PolarHBondContact O-N 3.46Å; D345-G347 VanDerWaalsContact O-N 3.1Å; D345-G347 PolarHBondContact OD1-N 3.27Å; G347-R397 PolarHBondContact O-NH1 2.99Å; G347-R397 PolarHBondContact O-NH2 3.45Å; G347-R401 PolarHBondContact O-NE 3.16Å
348M95.4Very high94.8Very high1 Ų121.6 Ų21.61%0.00513%0.129CC..  trans-74.1143.4167.2-70.1-175.8173.900110.7I228 D345 P346 E354 E357 N398 A402I228-M348 HydrophobicContact CD1-CB 3.6Å; I228-M348 HydrophobicContact CG1-CB 4.14Å; D345-M348 HydrophobicContact CB-CE 4.37Å; D345-M348 HydrophobicContact CB-CG 3.96Å; D345-M348 HydrophobicContact CB-SD 4.24Å; D345-M348 WeakPolarHBondContact O-CB 3.3Å; D345-M348 PolarHBondContact O-N 2.8Å; P346-M348 VanDerWaalsContact C-N 3.33Å; M348-E354 VanDerWaalsContact SD-CA 3.56Å; M348-E354 HydrophobicContact SD-CB 3.76Å; M348-E357 HydrophobicContact CE-CB 3.72Å; M348-E357 HydrophobicContact CE-CG 3.83Å; M348-N398 WeakPolarHBondContact CA-OD1 3.4Å; M348-N398 HydrophobicContact CB-CB 4.41Å; M348-N398 HydrophobicContact CG-CB 4.04Å; M348-N398 HydrophobicContact SD-CB 4.29Å; M348-A402 HydrophobicContact CE-CB 4.01Å
349E91.1Very high94.7Very high57 Ų5721.6 Ų21.627%0.26613%0.129SC..  trans-118.7142.6-171.8-70.2176.5-175.800111.8Y351 Y394 R397 N398E349-Y351 VanDerWaalsContact C-N 3.31Å; E349-Y351 PolarHBondContact O-N 3.38Å; E349-Y394 HydrophobicContact CB-CD1 3.72Å; E349-Y394 HydrophobicContact CB-CE1 4.11Å; E349-Y394 WeakPolarHBondContact OE2-CE1 3.33Å; E349-R397 IonicContact OE1-CZ 2.95Å; E349-R397 IonicContact OE1-NH2 3.53Å; E349-R397 PolarHBondContact OE1-NH2 2.99Å; E349-R397 IonicContact OE2-NE 3.5Å; E349-N398 PolarHBondContact N-ND2 2.78Å; E349-N398 PolarHBondContact N-OD1 2.8Å; E349-N398 PolarHBondContact O-ND2 3.22Å
350V86.2Confident94.7Very high32 Ų3220.2 Ų20.219%0.19411%0.114CC..SBendtrans59-77.5172.9-173.90000114.1L227 N388 Y394L227-V350 WeakPolarHBondContact CB-O 3.47Å; L227-V350 PolarHBondContact N-O 3.02Å; L227-V350 VanDerWaalsContact N-O 3.1Å; V350-N388 HydrophobicContact CG1-CB 4.07Å; V350-Y394 HydrophobicContact CB-CD1 4.36Å; V350-Y394 HydrophobicContact CB-CD2 4.09Å; V350-Y394 HydrophobicContact CB-CG 4.01Å; V350-Y394 HydrophobicContact CG1-CD2 4.48Å; V350-Y394 HydrophobicContact CG2-CD1 3.92Å; V350-Y394 HydrophobicContact CG2-CD2 3.89Å; V350-Y394 HydrophobicContact CG2-CE1 3.88Å; V350-Y394 HydrophobicContact CG2-CE2 3.89Å; V350-Y394 HydrophobicContact CG2-CG 3.93Å
351Y87.3Confident94.8Very high67 Ų6714.6 Ų14.626%0.2639%0.088SC..SBendtrans-160.7144.5-171.2178.3-89.6000112L227 E349 K385 I391 N398L227-Y351 HydrophobicContact CD2-CD2 4.05Å; L227-Y351 HydrophobicContact CD2-CE2 4.4Å; E349-Y351 VanDerWaalsContact C-N 3.31Å; E349-Y351 PolarHBondContact O-N 3.38Å; Y351-K385 HydrophobicContact CE1-CD 4.21Å; Y351-K385 VanDerWaalsContact CZ-NZ 3.32Å; Y351-K385 PolarHBondContact OH-NZ 2.91Å; Y351-I391 HydrophobicContact CD1-CG2 4.24Å; Y351-N398 PolarHBondContact O-ND2 3Å
352G87.9Confident94.9Very high5 Ų514.6 Ų14.65%0.0529%0.088CC..SBendtrans101.2140.4164.600000113.4E354 N398G352-E354 VanDerWaalsContact C-N 3.27Å; G352-E354 VanDerWaalsContact C-OE2 3.28Å; G352-E354 WeakPolarHBondContact CA-OE2 3.2Å; G352-E354 PolarHBondContact N-OE2 3.03Å; G352-E354 PolarHBondContact O-N 2.96Å; G352-N398 WeakPolarHBondContact O-CB 3.42Å; G352-N398 PolarHBondContact O-ND2 3.13Å
353G91.6Very high94.9Very high6 Ų614.6 Ų14.66%0.0628%0.081CC..SBendtrans86.5-21.9176.900000114.4N355 I356 E357G353-N355 VanDerWaalsContact C-N 3.32Å; G353-N355 PolarHBondContact O-N 2.78Å; G353-I356 PolarHBondContact O-N 3.29Å; G353-E357 WeakPolarHBondContact O-CB 3.42Å; G353-E357 PolarHBondContact O-N 3.2Å
354E94.4Very high95Very high2 Ų213.5 Ų13.51%0.0098%0.076CC..Hα-helixtrans-66.7-35.5-176.384.1-65.2162.700112.5I228 R231 L344 M348 G352 L358I228-E354 HydrophobicContact CD1-CB 4.31Å; I228-E354 HydrophobicContact CG1-CB 3.65Å; I228-E354 HydrophobicContact CG1-CG 3.84Å; R231-E354 IonicContact NH1-OE1 2.66Å; L344-E354 HydrophobicContact CD1-CG 4.2Å; M348-E354 VanDerWaalsContact SD-CA 3.56Å; M348-E354 HydrophobicContact SD-CB 3.76Å; G352-E354 VanDerWaalsContact C-N 3.27Å; G352-E354 VanDerWaalsContact C-OE2 3.28Å; G352-E354 WeakPolarHBondContact CA-OE2 3.2Å; G352-E354 PolarHBondContact N-OE2 3.03Å; G352-E354 PolarHBondContact O-N 2.96Å; E354-L358 WeakPolarHBondContact O-CB 3.47Å; E354-L358 PolarHBondContact O-N 3.42Å
355N94.3Very high95.1Very high9 Ų914.4 Ų14.45%0.0488%0.082CC..Hα-helixtrans-69.7-35178.162.4-47.5000112.3M326 G353 G359M326-N355 HydrophobicContact CE-CB 3.94Å; M326-N355 HydrophobicContact CG-CB 3.83Å; M326-N355 WeakPolarHBondContact O-CB 3.41Å; M326-N355 PolarHBondContact O-ND2 2.94Å; G353-N355 VanDerWaalsContact C-N 3.32Å; G353-N355 PolarHBondContact O-N 2.78Å; N355-G359 PolarHBondContact O-N 3.13Å
356I97Very high95.1Very high0 Ų017 Ų170%011%0.109CC..Hα-helixtrans-78.6-41.9177.6-53.8-47.9000110.8Y296 L300 C302 A325 G353 L358 G359 M360Y296-I356 HydrophobicContact CD1-CD1 3.87Å; Y296-I356 HydrophobicContact CD1-CG1 4.47Å; Y296-I356 HydrophobicContact CD1-CG2 3.56Å; Y296-I356 HydrophobicContact CD2-CG2 3.65Å; Y296-I356 HydrophobicContact CE1-CG2 3.62Å; Y296-I356 HydrophobicContact CE2-CG2 3.72Å; Y296-I356 HydrophobicContact CG-CD1 3.97Å; Y296-I356 HydrophobicContact CG-CG1 4.28Å; Y296-I356 HydrophobicContact CG-CG2 3.58Å; L300-I356 HydrophobicContact CB-CB 4.48Å; L300-I356 HydrophobicContact CB-CG1 4.42Å; L300-I356 HydrophobicContact CB-CG2 4.32Å; L300-I356 HydrophobicContact CD2-CG2 4.12Å; L300-I356 WeakPolarHBondContact O-CG1 3.3Å; C302-I356 HydrophobicContact CB-CD1 4.04Å; A325-I356 HydrophobicContact CB-CD1 3.76Å; G353-I356 PolarHBondContact O-N 3.29Å; I356-L358 VanDerWaalsContact C-N 3.33Å; I356-L358 PolarHBondContact O-N 3.21Å; I356-G359 PolarHBondContact O-N 3.42Å; I356-M360 HydrophobicContact CG2-CE 4.13Å; I356-M360 WeakPolarHBondContact O-CG 3.43Å; I356-M360 PolarHBondContact O-N 2.04Å
357E97.9Very high95.2Very high1 Ų114.7 Ų14.71%0.00510%0.095CC..Hα-helixtrans-56.2-46.7173.8-172.8-85.7176.500112M348 G353 G359 M360 R361 A402 W406 R435M348-E357 HydrophobicContact CE-CB 3.72Å; M348-E357 HydrophobicContact CE-CG 3.83Å; G353-E357 WeakPolarHBondContact O-CB 3.42Å; G353-E357 PolarHBondContact O-N 3.2Å; E357-G359 VanDerWaalsContact C-N 3.34Å; E357-G359 PolarHBondContact O-N 3.34Å; E357-M360 PolarHBondContact O-N 3.36Å; E357-R361 WeakPolarHBondContact O-CB 3.33Å; E357-R361 PolarHBondContact O-N 3.01Å; E357-R361 IonicContact OE1-NE 3.54Å; E357-R361 PolarHBondContact OE1-NE 3.11Å; E357-R361 IonicContact OE1-NH2 3.28Å; E357-R361 IonicContact OE2-CZ 2.63Å; E357-R361 IonicContact OE2-NE 3.25Å; E357-R361 IonicContact OE2-NH2 3.68Å; E357-R361 PolarHBondContact OE2-NH2 2.76Å; E357-A402 HydrophobicContact CB-CB 4.08Å; E357-A402 HydrophobicContact CG-CB 4.23Å; E357-W406 PolarHBondContact OE1-NE1 3.38Å; E357-R435 IonicContact OE1-CZ 3.44Å; E357-R435 IonicContact OE1-NE 2.89Å; E357-R435 IonicContact OE1-NH2 3.88Å; E357-R435 PolarHBondContact OE1-NH2 2.99Å; E357-R435 IonicContact OE2-NH2 3.58Å
358L97.8Very high95.3Very high0 Ų014.5 Ų14.50%09%0.091CC..Hα-helixtrans-61.8-43.5178.9-179.661.3000111.1I271 M326 F331 F338 I341 L344 E354 I356 R361 V362I271-L358 HydrophobicContact CD1-CD1 3.96Å; I271-L358 HydrophobicContact CD1-CD2 3.84Å; I271-L358 HydrophobicContact CD1-CG 3.98Å; M326-L358 HydrophobicContact CE-CD2 3.6Å; M326-L358 HydrophobicContact SD-CD2 3.94Å; F331-L358 HydrophobicContact CD2-CD2 4.38Å; F331-L358 HydrophobicContact CE2-CD2 4.1Å; F331-L358 HydrophobicContact CZ-CD2 4.33Å; F338-L358 HydrophobicContact CE2-CD1 4.08Å; F338-L358 HydrophobicContact CE2-CD2 4.22Å; I341-L358 HydrophobicContact CD1-CD1 3.9Å; L344-L358 HydrophobicContact CD2-CB 4.34Å; L344-L358 HydrophobicContact CD2-CD2 4.11Å; E354-L358 WeakPolarHBondContact O-CB 3.47Å; E354-L358 PolarHBondContact O-N 3.42Å; I356-L358 VanDerWaalsContact C-N 3.33Å; I356-L358 PolarHBondContact O-N 3.21Å; L358-R361 PolarHBondContact O-N 3.12Å; L358-V362 HydrophobicContact CD1-CG2 3.78Å; L358-V362 HydrophobicContact CG-CG2 4.16Å; L358-V362 WeakPolarHBondContact O-CB 2.85Å; L358-V362 WeakPolarHBondContact O-CG2 3.34Å; L358-V362 PolarHBondContact O-N 3.36Å
359G97.4Very high95.4Very high0 Ų014.4 Ų14.40%09%0.091CC..Hα-helixtrans-62.8-46.4178.300000113.5N355 I356 E357 R361 V362 W363 M369N355-G359 PolarHBondContact O-N 3.13Å; I356-G359 PolarHBondContact O-N 3.42Å; E357-G359 VanDerWaalsContact C-N 3.34Å; E357-G359 PolarHBondContact O-N 3.34Å; G359-R361 VanDerWaalsContact C-N 3.31Å; G359-R361 PolarHBondContact O-N 2.92Å; G359-V362 PolarHBondContact O-N 3.43Å; G359-W363 PolarHBondContact O-N 2.95Å; G359-M369 WeakPolarHBondContact CA-SD 3.39Å
360M98.1Very high95.7Very high0 Ų012.8 Ų12.80%08%0.083CC..Hα-helixtrans-58.2-44.6174.8-70.6-172.6-65.400111.7Y296 I356 E357 Q364 A402 W406 M407 F447Y296-M360 WeakPolarHBondContact OH-CG 3.36Å; I356-M360 HydrophobicContact CG2-CE 4.13Å; I356-M360 WeakPolarHBondContact O-CG 3.43Å; I356-M360 PolarHBondContact O-N 2.04Å; E357-M360 PolarHBondContact O-N 3.36Å; M360-Q364 VanDerWaalsContact O-CB 3.27Å; M360-Q364 WeakPolarHBondContact O-CB 3.47Å; M360-Q364 WeakPolarHBondContact O-CG 3.12Å; M360-Q364 PolarHBondContact O-N 3.02Å; M360-Q364 VanDerWaalsContact O-N 3.11Å; M360-Q364 PolarHBondContact O-NE2 2.65Å; M360-A402 HydrophobicContact CE-CB 3.95Å; M360-W406 HydrophobicContact CB-CB 4.24Å; M360-W406 HydrophobicContact CE-CB 4.1Å; M360-W406 HydrophobicContact SD-CB 4.29Å; M360-M407 HydrophobicContact CE-CG 4.3Å; M360-M407 HydrophobicContact CE-SD 4.37Å; M360-M407 HydrophobicContact SD-CG 3.69Å; M360-M407 HydrophobicContact SD-SD 4.07Å; M360-F447 HydrophobicContact CG-CE2 3.98Å; M360-F447 HydrophobicContact SD-CD2 4.22Å; M360-F447 HydrophobicContact SD-CE2 3.5Å; M360-F447 VanDerWaalsContact SD-CE2 3.5Å; M360-F447 HydrophobicContact SD-CZ 4.23Å
361R98Very high96.3Very high0 Ų011.4 Ų11.40%07%0.074CC..Hα-helixtrans-66.4-51.5-179.7169.7168.637.6113.97.7112.2I341 L343 E357 L358 G359 W363 Q364 C365 W406I341-R361 VanDerWaalsContact CG1-NH1 3.34Å; I341-R361 WeakPolarHBondContact O-CD 3.48Å; I341-R361 PolarHBondContact O-NH1 3.2Å; L343-R361 PolarHBondContact O-NH1 3.4Å; L343-R361 PolarHBondContact O-NH2 3.02Å; E357-R361 WeakPolarHBondContact O-CB 3.33Å; E357-R361 PolarHBondContact O-N 3.01Å; E357-R361 IonicContact OE1-NE 3.54Å; E357-R361 PolarHBondContact OE1-NE 3.11Å; E357-R361 IonicContact OE1-NH2 3.28Å; E357-R361 IonicContact OE2-CZ 2.63Å; E357-R361 IonicContact OE2-NE 3.25Å; E357-R361 IonicContact OE2-NH2 3.68Å; E357-R361 PolarHBondContact OE2-NH2 2.76Å; L358-R361 PolarHBondContact O-N 3.12Å; G359-R361 VanDerWaalsContact C-N 3.31Å; G359-R361 PolarHBondContact O-N 2.92Å; R361-W363 VanDerWaalsContact C-N 3.3Å; R361-W363 PolarHBondContact O-N 3.25Å; R361-Q364 PolarHBondContact O-N 3.43Å; R361-C365 VanDerWaalsContact O-CB 3.26Å; R361-C365 WeakPolarHBondContact O-CB 3.42Å; R361-C365 PolarHBondContact O-N 2.8Å; R361-C365 PolarHBondContact O-SG 3.33Å; R361-W406 HydrophobicContact CB-CD2 4.22Å; R361-W406 HydrophobicContact CB-CE3 4.16Å; R361-W406 HydrophobicContact CB-CH2 3.67Å; R361-W406 HydrophobicContact CB-CZ2 3.7Å; R361-W406 HydrophobicContact CB-CZ3 3.88Å; R361-W406 VanDerWaalsContact CD-CZ2 3.45Å; R361-W406 HydrophobicContact CG-CH2 3.4Å; R361-W406 VanDerWaalsContact CG-CH2 3.4Å; R361-W406 HydrophobicContact CG-CZ2 3.71Å; R361-W406 HydrophobicContact CG-CZ3 3.93Å
362V98.4Very high96.8Very high0 Ų08.5 Ų8.50%06%0.063CC..Hα-helixtrans-54.6-49.9-176.1166.10000110.4I271 I341 L358 G359 C365 G366 G367 M369I271-V362 HydrophobicContact CD1-CG2 3.52Å; I271-V362 HydrophobicContact CG1-CG1 4.48Å; I271-V362 HydrophobicContact CG1-CG2 4.1Å; I341-V362 HydrophobicContact CD1-CG2 3.92Å; L358-V362 HydrophobicContact CD1-CG2 3.78Å; L358-V362 HydrophobicContact CG-CG2 4.16Å; L358-V362 WeakPolarHBondContact O-CB 2.85Å; L358-V362 WeakPolarHBondContact O-CG2 3.34Å; L358-V362 PolarHBondContact O-N 3.36Å; G359-V362 PolarHBondContact O-N 3.43Å; V362-C365 PolarHBondContact O-N 2.91Å; V362-G366 PolarHBondContact O-N 2.83Å; V362-G367 CarbonylContact O-C 3.6Å; V362-G367 WeakPolarHBondContact O-CA 3.25Å; V362-G367 PolarHBondContact O-N 2.93Å; V362-M369 HydrophobicContact CB-CG 4.29Å; V362-M369 HydrophobicContact CG1-CG 3.86Å
363W98.5Very high97.2Very high21 Ų218.2 Ų8.28%0.086%0.061CC..Hα-helixtrans-66.2-45.1179.1-81.3111.4000113.3R322 T323 G359 R361 C365 W449 Y450 V454R322-W363 HydrophobicContact CG-CH2 3.61Å; R322-W363 HydrophobicContact CG-CZ2 3.47Å; R322-W363 VanDerWaalsContact CG-CZ2 3.47Å; R322-W363 VanDerWaalsContact NH2-CZ3 3.28Å; T323-W363 PolarHBondContact O-NE1 3.25Å; G359-W363 PolarHBondContact O-N 2.95Å; R361-W363 VanDerWaalsContact C-N 3.3Å; R361-W363 PolarHBondContact O-N 3.25Å; W363-C365 VanDerWaalsContact C-N 3.26Å; W363-C365 PolarHBondContact O-N 3.42Å; W363-W449 WeakPolarHBondContact O-CZ3 3.33Å; W363-Y450 HydrophobicContact CB-CD2 3.72Å; W363-Y450 HydrophobicContact CB-CE2 3.84Å; W363-Y450 AromaticContact CD1-CE2 3.95Å; W363-Y450 HydrophobicContact CG-CD2 4.37Å; W363-Y450 HydrophobicContact CG-CE2 4.11Å; W363-V454 HydrophobicContact CB-CG1 4.32Å; W363-V454 HydrophobicContact CB-CG2 3.92Å; W363-V454 HydrophobicContact CD2-CB 4.41Å; W363-V454 HydrophobicContact CD2-CG1 3.65Å; W363-V454 HydrophobicContact CD2-CG2 3.81Å; W363-V454 HydrophobicContact CE3-CG1 4.39Å; W363-V454 HydrophobicContact CE3-CG2 3.86Å; W363-V454 HydrophobicContact CG-CB 4.36Å; W363-V454 HydrophobicContact CG-CG1 3.58Å; W363-V454 HydrophobicContact CG-CG2 3.86Å; W363-V454 HydrophobicContact CZ2-CG1 4.46Å
364Q98.7Very high97.5Very high2 Ų28.2 Ų8.21%0.0096%0.06CC..Hα-helixtrans-66.5-30.6-179.9-74.6176.181.200111.9M360 R361 W406 C444 R445 Y450M360-Q364 VanDerWaalsContact O-CB 3.27Å; M360-Q364 WeakPolarHBondContact O-CB 3.47Å; M360-Q364 WeakPolarHBondContact O-CG 3.12Å; M360-Q364 PolarHBondContact O-N 3.02Å; M360-Q364 VanDerWaalsContact O-N 3.11Å; M360-Q364 PolarHBondContact O-NE2 2.65Å; R361-Q364 PolarHBondContact O-N 3.43Å; Q364-W406 PolarHBondContact NE2-O 2.84Å; Q364-W406 PolarHBondContact OE1-O 3.45Å; Q364-C444 HydrophobicContact CB-CB 4.07Å; Q364-C444 CarbonylContact O-C 3.24Å; Q364-C444 VanDerWaalsContact O-CA 3.28Å; Q364-C444 WeakPolarHBondContact O-CA 3.49Å; Q364-C444 WeakPolarHBondContact O-CB 3.39Å; Q364-R445 PolarHBondContact O-N 3.22Å; Q364-R445 PolarHBondContact OE1-O 3.34Å; Q364-Y450 HydrophobicContact CG-CD2 4.48Å
365C98.3Very high97.7Very high20 Ų208.1 Ų8.114%0.1356%0.06CC..THydrogen-bonded Turntrans-99.215.5-174.5-51.80000113.9R361 V362 W363 M442 C444R361-C365 VanDerWaalsContact O-CB 3.26Å; R361-C365 WeakPolarHBondContact O-CB 3.42Å; R361-C365 PolarHBondContact O-N 2.8Å; R361-C365 PolarHBondContact O-SG 3.33Å; V362-C365 PolarHBondContact O-N 2.91Å; W363-C365 VanDerWaalsContact C-N 3.26Å; W363-C365 PolarHBondContact O-N 3.42Å; C365-M442 HydrophobicContact CB-CB 4.46Å; C365-M442 HydrophobicContact CB-CE 4.08Å; C365-M442 HydrophobicContact CB-SD 4.32Å; C365-C444 HydrophobicContact CB-CB 4.04Å; C365-C444 WeakPolarHBondContact CB-SG 3.03Å; C365-C444 WeakPolarHBondContact SG-CB 3.21Å; C365-C444 CovalentContact SG-SG 2.04Å; C365-C444 PolarHBondContact SG-SG 2.83Å
366G96.9Very high97.8Very high59 Ų597.8 Ų7.861%0.6086%0.058SC*.THydrogen-bonded Turntrans99.9-1.8166.400000116.6V362V362-G366 PolarHBondContact O-N 2.83Å
367G97.8Very high97.8Very high6 Ų67.8 Ų7.86%0.0626%0.058CC..  trans-90.3-169.9170.200000112.8T269 Y337 V362T269-G367 WeakPolarHBondContact O-CA 3.47Å; Y337-G367 WeakPolarHBondContact OH-CA 3.39Å; V362-G367 CarbonylContact O-C 3.6Å; V362-G367 WeakPolarHBondContact O-CA 3.25Å; V362-G367 PolarHBondContact O-N 2.93Å
368S97.9Very high97.8Very high16 Ų167.9 Ų7.911%0.1126%0.058CC..EExtended strand (participates in β ladder)trans-144.8160.6177.561.40000112.9T269 R270 I271T269-S368 PolarHBondContact O-N 2.66Å; R270-S368 WeakPolarHBondContact CA-O 3.16Å; R270-S368 WeakPolarHBondContact CG-OG 3.46Å; I271-S368 PolarHBondContact N-O 3.5Å
369M98Very high97.8Very high0 Ų09.4 Ų9.40%07%0.065CC..EExtended strand (participates in β ladder)trans-123.4138.5172.7-54.7-169.484.600111.9I271 L273 T323 M326 G359 V362I271-M369 HydrophobicContact CB-CE 3.94Å; I271-M369 HydrophobicContact CB-CG 4.24Å; I271-M369 HydrophobicContact CG2-CE 3.71Å; I271-M369 VanDerWaalsContact O-CA 3.31Å; I271-M369 WeakPolarHBondContact O-CA 3.45Å; L273-M369 HydrophobicContact CD2-CE 4.25Å; T323-M369 HydrophobicContact CG2-CB 3.67Å; T323-M369 PolarHBondContact N-O 2.77Å; T323-M369 VanDerWaalsContact N-O 3.08Å; M326-M369 HydrophobicContact CB-CE 3.75Å; M326-M369 HydrophobicContact CG-CE 4.02Å; M326-M369 HydrophobicContact SD-CE 3.77Å; G359-M369 WeakPolarHBondContact CA-SD 3.39Å; V362-M369 HydrophobicContact CB-CG 4.29Å; V362-M369 HydrophobicContact CG1-CG 3.86Å
370E97.8Very high97.7Very high23 Ų239.5 Ų9.511%0.1077%0.066CC..EExtended strand (participates in β ladder)trans-137.9137.3-177.4-58.2-180168.400111.5R263 I271 I272 L273 P320 I321R263-E370 IonicContact CZ-OE1 3.11Å; R263-E370 IonicContact CZ-OE2 3.69Å; R263-E370 IonicContact NE-OE2 2.81Å; R263-E370 PolarHBondContact NE-OE2 3.44Å; R263-E370 VanDerWaalsContact NE-OE2 3.08Å; R263-E370 IonicContact NH2-OE1 2.95Å; R263-E370 PolarHBondContact NH2-OE1 2.65Å; R263-E370 IonicContact NH2-OE2 3.45Å; R263-E370 PolarHBondContact NH2-OE2 3.12Å; I271-E370 PolarHBondContact O-N 2.78Å; I271-E370 VanDerWaalsContact O-N 3.11Å; I272-E370 HydrophobicContact CD1-CB 4.02Å; I272-E370 HydrophobicContact CD1-CG 4.49Å; L273-E370 PolarHBondContact N-O 2.88Å; P320-E370 HydrophobicContact CB-CB 4.17Å; P320-E370 HydrophobicContact CB-CG 4.34Å; P320-E370 WeakPolarHBondContact CB-OE2 3.37Å; I321-E370 CarbonylContact O-C 3.57Å; I321-E370 VanDerWaalsContact O-CA 3.29Å; I321-E370 WeakPolarHBondContact O-CA 3.42Å
371V98.1Very high97.1Very high2 Ų213.4 Ų13.41%0.0128%0.084CC..EExtended strand (participates in β ladder)trans-92.1130.6163.6-179.50000108.4L273 A275 I321 T323 P373L273-V371 HydrophobicContact CB-CG2 4.09Å; L273-V371 HydrophobicContact CD1-CG2 4Å; L273-V371 CarbonylContact O-C 3.59Å; L273-V371 VanDerWaalsContact O-CA 3.3Å; L273-V371 WeakPolarHBondContact O-CA 3.45Å; A275-V371 HydrophobicContact CB-CG1 4.19Å; I321-V371 HydrophobicContact CB-CB 4.26Å; I321-V371 PolarHBondContact N-O 3.08Å; I321-V371 PolarHBondContact O-N 2.86Å; T323-V371 HydrophobicContact CG2-CG2 4.03Å; V371-P373 WeakPolarHBondContact O-CD 3.41Å
372L97.5Very high96.6Very high6 Ų615.2 Ų15.23%0.0319%0.091CC..EExtended strand (participates in β ladder)trans-102.8110.1177.4-61.1-170.6000111.4P259 I260 R263 I272 L273 A275 P320 C374 A375P259-L372 HydrophobicContact CB-CD1 4.29Å; I260-L372 HydrophobicContact CG1-CD1 4.01Å; R263-L372 HydrophobicContact CB-CD1 4.27Å; R263-L372 HydrophobicContact CG-CD1 3.8Å; R263-L372 HydrophobicContact CG-CD2 4.13Å; I272-L372 HydrophobicContact CG2-CD1 3.49Å; I272-L372 VanDerWaalsContact CG2-CD1 3.49Å; I272-L372 HydrophobicContact CG2-CG 3.61Å; L273-L372 PolarHBondContact O-N 3.44Å; A275-L372 PolarHBondContact N-O 3.25Å; P320-L372 HydrophobicContact CB-CD2 3.53Å; P320-L372 HydrophobicContact CG-CD2 3.66Å; L372-C374 PolarHBondContact O-N 3.4Å; L372-C374 VanDerWaalsContact O-N 3.16Å; L372-A375 HydrophobicContact CB-CB 4.06Å; L372-A375 PolarHBondContact O-N 3.16Å
373P97.1Very high95.9Very high0 Ų018.3 Ų18.30%011%0.11CC..EExtended strand (participates in β ladder)trans-57.1-29.6175.6-29.738000115.1P139 W311 E317 A319 I321 V371 A375P139-P373 HydrophobicContact CG-CB 4.22Å; W311-P373 HydrophobicContact CZ2-CG 4.29Å; E317-P373 WeakPolarHBondContact O-CB 3.24Å; E317-P373 WeakPolarHBondContact O-CG 3.42Å; A319-P373 WeakPolarHBondContact O-CD 3.4Å; I321-P373 HydrophobicContact CD1-CG 3.93Å; I321-P373 HydrophobicContact CG1-CG 4.17Å; V371-P373 WeakPolarHBondContact O-CD 3.41Å; P373-A375 VanDerWaalsContact C-N 3.34Å
374C97.6Very high95Very high6 Ų622 Ų224%0.04113%0.127CC..EExtended strand (participates in β ladder)trans-78.3-15.5179.7-60.60000113.8R138 C142 P259 L372R138-C374 WeakPolarHBondContact CD-O 3.16Å; C142-C374 HydrophobicContact CB-CB 3.59Å; C142-C374 WeakPolarHBondContact CB-SG 3.29Å; C142-C374 WeakPolarHBondContact SG-CA 3.42Å; C142-C374 WeakPolarHBondContact SG-CB 3.35Å; C142-C374 CovalentContact SG-SG 2.03Å; C142-C374 PolarHBondContact SG-SG 3.04Å; P259-C374 HydrophobicContact CB-CB 4.33Å; P259-C374 HydrophobicContact CG-CB 4.45Å; L372-C374 PolarHBondContact O-N 3.4Å; L372-C374 VanDerWaalsContact O-N 3.16Å
375A97.6Very high94.2Very high0 Ų025.9 Ų25.90%014%0.143CC..EExtended strand (participates in β ladder)trans-106.6110.9175.200000108.9W256 P259 I260 P274 A275 L372 P373W256-A375 VanDerWaalsContact O-CB 3.27Å; W256-A375 WeakPolarHBondContact O-CB 3.35Å; P259-A375 HydrophobicContact CG-CB 3.96Å; I260-A375 HydrophobicContact CD1-CB 3.83Å; I260-A375 HydrophobicContact CG1-CB 3.69Å; P274-A375 CarbonylContact C-O 3.58Å; P274-A375 VanDerWaalsContact CA-O 3.31Å; P274-A375 WeakPolarHBondContact CA-O 3.27Å; P274-A375 HydrophobicContact CB-CB 4.28Å; P274-A375 WeakPolarHBondContact CB-O 3.42Å; A275-A375 PolarHBondContact N-O 3.2Å; L372-A375 HydrophobicContact CB-CB 4.06Å; L372-A375 PolarHBondContact O-N 3.16Å; P373-A375 VanDerWaalsContact C-N 3.34Å
376R97.3Very high93.1Very high2 Ų227.3 Ų27.31%0.00815%0.152CC..EExtended strand (participates in β ladder)trans-119.9137.6-175.8-56.9-167.378.285.5-3.9112.5R138 N253 A275 D277 Y289 N291R138-R376 HydrophobicContact CG-CG 3.93Å; N253-R376 HydrophobicContact CB-CB 4.19Å; N253-R376 WeakPolarHBondContact CB-O 3.49Å; N253-R376 PolarHBondContact N-O 3.43Å; A275-R376 HydrophobicContact CB-CG 4.32Å; A275-R376 VanDerWaalsContact O-CA 3.31Å; A275-R376 WeakPolarHBondContact O-CA 3.31Å; D277-R376 IonicContact OD1-CZ 3.21Å; D277-R376 IonicContact OD1-NE 3.43Å; D277-R376 PolarHBondContact OD1-NE 2.98Å; D277-R376 IonicContact OD1-NH2 3.13Å; D277-R376 PolarHBondContact OD1-NH2 2.92Å; D277-R376 IonicContact OD2-CZ 3.46Å; D277-R376 IonicContact OD2-NE 2.8Å; D277-R376 PolarHBondContact OD2-NE 3.4Å; D277-R376 IonicContact OD2-NH2 3.96Å; Y289-R376 PolarHBondContact O-NH2 3.48Å; N291-R376 PolarHBondContact OD1-NH1 3.25Å
377V97.8Very high92Very high0 Ų027.6 Ų27.60%014%0.136CC..EExtended strand (participates in β ladder)trans-134.5130.3175.5177.70000108.1F246 V250 F252 P274 A275 I276 D277F246-V377 HydrophobicContact CE1-CG2 4.18Å; V250-V377 HydrophobicContact CB-CG1 3.72Å; V250-V377 HydrophobicContact CG1-CG1 4.12Å; V250-V377 HydrophobicContact CG2-CG1 4.29Å; F252-V377 HydrophobicContact CD1-CG2 3.67Å; F252-V377 HydrophobicContact CE1-CG2 3.92Å; F252-V377 HydrophobicContact CG-CG2 4.41Å; P274-V377 HydrophobicContact CB-CB 4.38Å; P274-V377 HydrophobicContact CB-CG2 3.87Å; P274-V377 HydrophobicContact CG-CB 4.29Å; P274-V377 HydrophobicContact CG-CG2 3.91Å; A275-V377 PolarHBondContact O-N 3.41Å; I276-V377 CarbonylContact C-O 3.55Å; I276-V377 VanDerWaalsContact CA-O 3.28Å; I276-V377 WeakPolarHBondContact CA-O 3.24Å; I276-V377 HydrophobicContact CD1-CB 4.45Å; D277-V377 PolarHBondContact N-O 2.98Å
378A97.9Very high91Very high2 Ų229.8 Ų29.82%0.01715%0.146CC..EExtended strand (participates in β ladder)trans-88.5139.1175.500000110I134 V250 E251 D277 I279 V286I134-A378 HydrophobicContact CD1-CB 4.37Å; V250-A378 CarbonylContact C-O 3.53Å; V250-A378 WeakPolarHBondContact CA-O 3.1Å; V250-A378 WeakPolarHBondContact CB-O 3.04Å; E251-A378 HydrophobicContact CB-CB 4.48Å; E251-A378 PolarHBondContact N-O 2.69Å; E251-A378 PolarHBondContact O-N 3.14Å; D277-A378 HydrophobicContact CB-CB 4.06Å; D277-A378 CarbonylContact O-C 3.5Å; D277-A378 WeakPolarHBondContact O-CA 3.27Å; I279-A378 HydrophobicContact CD1-CB 3.8Å; I279-A378 HydrophobicContact CG1-CB 3.6Å; V286-A378 HydrophobicContact CG1-CB 3.89Å
379H97.2Very high89.8Confident32 Ų3237.4 Ų37.415%0.14819%0.185CC..EExtended strand (participates in β ladder)trans-129.1140.6-176.2176.5-88.7000110.9D247 H249 V250 I276 D277 I279 E381D247-H379 IonicContact OD2-CD2 2.82Å; D247-H379 IonicContact OD2-CE1 3.61Å; D247-H379 IonicContact OD2-NE2 3.43Å; D247-H379 PolarHBondContact OD2-NE2 3.26Å; H249-H379 AromaticContact CD2-CD2 3.82Å; H249-H379 AromaticContact CD2-CE1 3.72Å; H249-H379 AromaticContact CD2-NE2 3.27Å; H249-H379 PolarHBondContact CD2-NE2 3.5Å; H249-H379 VanDerWaalsContact CD2-NE2 3.27Å; H249-H379 AromaticContact NE2-CE1 3.7Å; H249-H379 AromaticContact NE2-NE2 3.23Å; H249-H379 PolarHBondContact NE2-NE2 3.47Å; V250-H379 HydrophobicContact CG1-CB 4.23Å; I276-H379 HydrophobicContact CG2-CB 3.75Å; D277-H379 PolarHBondContact O-N 3.29Å; I279-H379 PolarHBondContact N-O 2.98Å; H379-E381 PolarHBondContact O-N 3.13Å
380I96.3Very high89Confident2 Ų241.2 Ų41.21%0.0121%0.206CC..EExtended strand (participates in β ladder)trans-76.4112.7177.9-54.3-179000111Y120 V167 H249 I279 F284 R382Y120-I380 HydrophobicContact CD1-CG2 3.84Å; Y120-I380 HydrophobicContact CG-CG2 3.98Å; V167-I380 HydrophobicContact CG1-CD1 3.75Å; V167-I380 HydrophobicContact CG2-CD1 4.14Å; H249-I380 HydrophobicContact CB-CB 4.29Å; H249-I380 HydrophobicContact CB-CD1 3.97Å; H249-I380 HydrophobicContact CB-CG1 4.19Å; H249-I380 PolarHBondContact O-N 2.93Å; H249-I380 VanDerWaalsContact O-N 3.13Å; I279-I380 HydrophobicContact CB-CB 4.47Å; I279-I380 HydrophobicContact CB-CG1 3.91Å; I279-I380 HydrophobicContact CD1-CG1 3.95Å; I279-I380 HydrophobicContact CG2-CG1 4Å; F284-I380 HydrophobicContact CE1-CD1 3.6Å; F284-I380 HydrophobicContact CZ-CD1 3.91Å; I380-R382 PolarHBondContact O-N 2.82Å
381E85Confident88.3Confident83 Ų8341.6 Ų41.639%0.38821%0.208SC..EExtended strand (participates in β ladder)trans-75.7101.9175.2179.6-177.7-157.900111N278 I279 Y281 H379N278-E381 PolarHBondContact ND2-OE2 2.75Å; N278-E381 WeakPolarHBondContact OD1-CB 3.38Å; I279-E381 PolarHBondContact O-N 2.03Å; Y281-E381 VanDerWaalsContact CB-O 3.3Å; Y281-E381 WeakPolarHBondContact CB-O 3.08Å; H379-E381 PolarHBondContact O-N 3.13Å
382R87.3Confident87.8Confident37 Ų3746.5 Ų46.514%0.1423%0.234CC..  trans-71.5146.2179-55.2-173.6-177.7-112.1-5.5112.7Y118 Y120 E163 H249 I380 K384 Y387Y118-R382 PolarHBondContact O-NH1 3.31Å; Y120-R382 HydrophobicContact CD1-CG 4.25Å; E163-R382 IonicContact OE1-CZ 3.88Å; E163-R382 IonicContact OE1-NH1 3.38Å; E163-R382 IonicContact OE1-NH2 2.66Å; E163-R382 PolarHBondContact OE1-NH2 3.08Å; E163-R382 IonicContact OE2-CZ 3.11Å; E163-R382 IonicContact OE2-NH2 3.31Å; E163-R382 PolarHBondContact OE2-NH2 3.12Å; H249-R382 PolarHBondContact CE1-NH2 3.1Å; H249-R382 PolarHBondContact ND1-NH2 3.1Å; I380-R382 PolarHBondContact O-N 2.82Å; R382-K384 VanDerWaalsContact CB-O 3.26Å; R382-K384 WeakPolarHBondContact CB-O 3.25Å; R382-Y387 PolarHBondContact NE-OH 2.84Å; R382-Y387 PolarHBondContact NH2-OH 3.36Å
383T83.4Confident87.4Confident65 Ų6550.3 Ų50.340%0.39925%0.249SC..SBendtrans-76.1-23.2169.354.40000113.9Y115 G119 Y281Y115-T383 WeakPolarHBondContact OH-CG2 3.35Å; G119-T383 PolarHBondContact O-N 3.32Å; G119-T383 PolarHBondContact O-OG1 3.1Å; Y281-T383 HydrophobicContact CD1-CG2 3.56Å; Y281-T383 HydrophobicContact CD2-CG2 3.67Å; Y281-T383 HydrophobicContact CE1-CG2 3.47Å; Y281-T383 VanDerWaalsContact CE1-CG2 3.47Å; Y281-T383 HydrophobicContact CE2-CG2 3.64Å; Y281-T383 HydrophobicContact CG-CG2 3.66Å
384K80.4Confident87.1Confident99 Ų9953 Ų5343%0.4326%0.259SS..SBendtrans-151.2162.4173.866.8-179.9-177.4179.30111.1E116 R382 P386E116-K384 WeakPolarHBondContact O-CE 3.45Å; E116-K384 PolarHBondContact O-NZ 3.49Å; R382-K384 VanDerWaalsContact CB-O 3.26Å; R382-K384 WeakPolarHBondContact CB-O 3.25Å; K384-P386 WeakPolarHBondContact O-CD 3.38Å
385K80.6Confident86.8Confident83 Ų8353 Ų5336%0.36126%0.26SS..  trans-100103.4178.6-64.3179.5-173.3-178.80109Y351 Y387 I391Y351-K385 HydrophobicContact CE1-CD 4.21Å; Y351-K385 VanDerWaalsContact CZ-NZ 3.32Å; Y351-K385 PolarHBondContact OH-NZ 2.91Å; K385-Y387 PolarHBondContact O-N 3.4Å; K385-I391 HydrophobicContact CB-CD1 3.4Å; K385-I391 VanDerWaalsContact CB-CD1 3.4Å; K385-I391 HydrophobicContact CD-CD1 3.8Å; K385-I391 HydrophobicContact CG-CD1 4.19Å
386P76.1Confident86.7Confident50 Ų5055.5 Ų55.533%0.32527%0.271SS..THydrogen-bonded Turntrans-79.80.3-169.232.6-36.8000114.4E117 K384E117-P386 WeakPolarHBondContact O-CB 3.45Å; K384-P386 WeakPolarHBondContact O-CD 3.38Å
387Y72.5Confident86.6Confident66 Ų6656.3 Ų56.326%0.25927%0.274SS..THydrogen-bonded Turntrans-83.1-22.9-167.2-45-61.8000114.8V161 R382 K385V161-Y387 HydrophobicContact CG1-CD1 3.63Å; V161-Y387 HydrophobicContact CG1-CE1 3.97Å; V161-Y387 HydrophobicContact CG1-CG 4.48Å; R382-Y387 PolarHBondContact NE-OH 2.84Å; R382-Y387 PolarHBondContact NH2-OH 3.36Å; K385-Y387 PolarHBondContact O-N 3.4Å
388N76.9Confident86.6Confident52 Ų5256.3 Ų56.328%0.27827%0.274SS..  trans-162.6147.2179.3-156.2-59.4000110.7V350 D390 I391V350-N388 HydrophobicContact CG1-CB 4.07Å; N388-D390 PolarHBondContact OD1-N 2.98Å; N388-I391 HydrophobicContact CB-CG1 4.41Å; N388-I391 WeakPolarHBondContact O-CG1 3.41Å
389N74.3Confident86.5Confident176 Ų17656.3 Ų56.394%0.94127%0.273SS*.SBendtrans-85.3-19.9178.8-67.3-25.5000113.4
390D81.1Confident86.5Confident80 Ų8054.8 Ų54.843%0.42827%0.266SS..  trans-112.753.7-177-165.61.1000112.2N388 D392 Y393 Y394N388-D390 PolarHBondContact OD1-N 2.98Å; D390-D392 PolarHBondContact O-N 3.15Å; D390-Y393 VanDerWaalsContact CG-CB 3.41Å; D390-Y393 PolarHBondContact O-N 3.36Å; D390-Y393 WeakPolarHBondContact OD1-CB 3.14Å; D390-Y393 PolarHBondContact OD1-N 3.23Å; D390-Y393 WeakPolarHBondContact OD2-CB 3.45Å; D390-Y394 WeakPolarHBondContact O-CD2 3.34Å
391I83.3Confident86.6Confident31 Ų3155.1 Ų55.116%0.15927%0.268CS..Hα-helixtrans-63.4-33.3-178.9-62.8-179.8000111.1Y351 K385 N388 Y393 Y394 A395Y351-I391 HydrophobicContact CD1-CG2 4.24Å; K385-I391 HydrophobicContact CB-CD1 3.4Å; K385-I391 VanDerWaalsContact CB-CD1 3.4Å; K385-I391 HydrophobicContact CD-CD1 3.8Å; K385-I391 HydrophobicContact CG-CD1 4.19Å; N388-I391 HydrophobicContact CB-CG1 4.41Å; N388-I391 WeakPolarHBondContact O-CG1 3.41Å; I391-Y393 PolarHBondContact O-N 3.48Å; I391-Y394 PolarHBondContact O-N 3.17Å; I391-A395 WeakPolarHBondContact O-CB 3.41Å; I391-A395 PolarHBondContact O-N 3.21Å
392D85.8Confident87.2Confident104 Ų10451.2 Ų51.256%0.55625%0.25SC*.Hα-helixtrans-65.5-39.4-177.3-75.9-2.3000112.3D390 K396D390-D392 PolarHBondContact O-N 3.15Å; D392-K396 WeakPolarHBondContact O-CB 3.47Å; D392-K396 PolarHBondContact O-N 2.95Å
393Y90.3Very high87.7Confident86 Ų8649.5 Ų49.534%0.33724%0.243SC..Hα-helixtrans-62-51.6174.6175.1-97.9000111.6D390 I391 K396 R397 V427D390-Y393 VanDerWaalsContact CG-CB 3.41Å; D390-Y393 PolarHBondContact O-N 3.36Å; D390-Y393 WeakPolarHBondContact OD1-CB 3.14Å; D390-Y393 PolarHBondContact OD1-N 3.23Å; D390-Y393 WeakPolarHBondContact OD2-CB 3.45Å; I391-Y393 PolarHBondContact O-N 3.48Å; Y393-K396 PolarHBondContact O-N 3.42Å; Y393-R397 WeakPolarHBondContact O-CB 3.32Å; Y393-R397 PolarHBondContact O-N 2.8Å; Y393-V427 HydrophobicContact CE2-CG1 4.31Å
394Y91Very high88.4Confident56 Ų5648.9 Ų48.922%0.2224%0.236CC..Hα-helixtrans-66.5-41.3-178.1-65.6-68.9000112.2E349 V350 D390 I391 K396 R397 N398E349-Y394 HydrophobicContact CB-CD1 3.72Å; E349-Y394 HydrophobicContact CB-CE1 4.11Å; E349-Y394 WeakPolarHBondContact OE2-CE1 3.33Å; V350-Y394 HydrophobicContact CB-CD1 4.36Å; V350-Y394 HydrophobicContact CB-CD2 4.09Å; V350-Y394 HydrophobicContact CB-CG 4.01Å; V350-Y394 HydrophobicContact CG1-CD2 4.48Å; V350-Y394 HydrophobicContact CG2-CD1 3.92Å; V350-Y394 HydrophobicContact CG2-CD2 3.89Å; V350-Y394 HydrophobicContact CG2-CE1 3.88Å; V350-Y394 HydrophobicContact CG2-CE2 3.89Å; V350-Y394 HydrophobicContact CG2-CG 3.93Å; D390-Y394 WeakPolarHBondContact O-CD2 3.34Å; I391-Y394 PolarHBondContact O-N 3.17Å; Y394-K396 VanDerWaalsContact C-N 3.34Å; Y394-K396 PolarHBondContact O-N 2.96Å; Y394-R397 PolarHBondContact O-N 3.15Å; Y394-N398 WeakPolarHBondContact O-CB 3.28Å; Y394-N398 PolarHBondContact O-N 2.93Å; Y394-N398 PolarHBondContact O-ND2 2.58Å
395A91.9Very high89.3Confident6 Ų644.4 Ų44.45%0.0522%0.216CC..Hα-helixtrans-60.5-45176.100000111.2W301 I391 A399 W418W301-A395 HydrophobicContact CH2-CB 3.67Å; W301-A395 HydrophobicContact CZ2-CB 4.24Å; W301-A395 HydrophobicContact CZ3-CB 4.23Å; I391-A395 WeakPolarHBondContact O-CB 3.41Å; I391-A395 PolarHBondContact O-N 3.21Å; A395-A399 WeakPolarHBondContact O-CB 3.42Å; A395-A399 PolarHBondContact O-N 2.68Å; A395-W418 HydrophobicContact CB-CH2 4.04Å; A395-W418 HydrophobicContact CB-CZ2 4.29Å
396K94.3Very high90.1Very high53 Ų5340.5 Ų40.523%0.2320%0.199CC..Hα-helixtrans-61.9-47.4175-177.3-176.3-59.7175.90111.9D392 Y393 Y394 A399 L400 W418 I420 V427D392-K396 WeakPolarHBondContact O-CB 3.47Å; D392-K396 PolarHBondContact O-N 2.95Å; Y393-K396 PolarHBondContact O-N 3.42Å; Y394-K396 VanDerWaalsContact C-N 3.34Å; Y394-K396 PolarHBondContact O-N 2.96Å; K396-A399 PolarHBondContact O-N 2.67Å; K396-L400 WeakPolarHBondContact O-CG 3.38Å; K396-L400 PolarHBondContact O-N 2.75Å; K396-W418 HydrophobicContact CB-CD2 3.98Å; K396-W418 HydrophobicContact CB-CE3 3.93Å; K396-W418 HydrophobicContact CB-CH2 4.07Å; K396-W418 HydrophobicContact CB-CZ2 4.2Å; K396-W418 HydrophobicContact CB-CZ3 3.97Å; K396-W418 HydrophobicContact CD-CE3 4.31Å; K396-W418 VanDerWaalsContact CE-CE3 3.4Å; K396-W418 HydrophobicContact CG-CB 4.31Å; K396-W418 HydrophobicContact CG-CD2 3.88Å; K396-W418 HydrophobicContact CG-CE3 4.03Å; K396-W418 HydrophobicContact CG-CG 4.03Å; K396-I420 HydrophobicContact CD-CG2 4.41Å; K396-V427 HydrophobicContact CD-CG2 3.73Å; K396-V427 HydrophobicContact CG-CG2 4.39Å
397R95.7Very high91.2Very high20 Ų2038.1 Ų38.18%0.07518%0.184CC..Hα-helixtrans-58-51.1178.5-173.3-171.6169.2-83.16.5111.4G347 E349 Y393 Y394 A399 L400 R401 V427 D428 F429G347-R397 PolarHBondContact O-NH1 2.99Å; G347-R397 PolarHBondContact O-NH2 3.45Å; E349-R397 IonicContact OE1-CZ 2.95Å; E349-R397 IonicContact OE1-NH2 3.53Å; E349-R397 PolarHBondContact OE1-NH2 2.99Å; E349-R397 IonicContact OE2-NE 3.5Å; Y393-R397 WeakPolarHBondContact O-CB 3.32Å; Y393-R397 PolarHBondContact O-N 2.8Å; Y394-R397 PolarHBondContact O-N 3.15Å; R397-A399 VanDerWaalsContact C-N 3.33Å; R397-A399 PolarHBondContact O-N 3.46Å; R397-L400 PolarHBondContact O-N 2.68Å; R397-R401 PolarHBondContact O-N 3.4Å; R397-R401 VanDerWaalsContact O-N 3.15Å; R397-V427 HydrophobicContact CB-CG1 4.08Å; R397-V427 HydrophobicContact CG-CG1 4.33Å; R397-D428 WeakPolarHBondContact CD-O 3.2Å; R397-D428 WeakPolarHBondContact CG-O 3.39Å; R397-D428 PolarHBondContact NE-O 3.16Å; R397-D428 VanDerWaalsContact NE-O 3.11Å; R397-F429 HydrophobicContact CG-CB 4.17Å; R397-F429 PolarHBondContact NH2-O 2.93Å
398N96.8Very high92.4Very high0 Ų037.2 Ų37.20%018%0.184CC..Hα-helixtrans-66.7-36.3-179.6-63.9-15.2000111.5M348 E349 Y351 G352 Y394 L400 R401 A402M348-N398 WeakPolarHBondContact CA-OD1 3.4Å; M348-N398 HydrophobicContact CB-CB 4.41Å; M348-N398 HydrophobicContact CG-CB 4.04Å; M348-N398 HydrophobicContact SD-CB 4.29Å; E349-N398 PolarHBondContact N-ND2 2.78Å; E349-N398 PolarHBondContact N-OD1 2.8Å; E349-N398 PolarHBondContact O-ND2 3.22Å; Y351-N398 PolarHBondContact O-ND2 3Å; G352-N398 WeakPolarHBondContact O-CB 3.42Å; G352-N398 PolarHBondContact O-ND2 3.13Å; Y394-N398 WeakPolarHBondContact O-CB 3.28Å; Y394-N398 PolarHBondContact O-N 2.93Å; Y394-N398 PolarHBondContact O-ND2 2.58Å; N398-L400 VanDerWaalsContact C-N 3.32Å; N398-L400 PolarHBondContact O-N 2.84Å; N398-R401 WeakPolarHBondContact O-CB 3.43Å; N398-R401 PolarHBondContact O-N 2.64Å; N398-A402 PolarHBondContact O-N 3.33Å
399A97.1Very high93.3Very high1 Ų140.2 Ų40.21%0.00820%0.196CC..Hα-helixtrans-62.5-39.7175.400000112.2L300 A395 K396 R397 A402 A403 V414L300-A399 HydrophobicContact CB-CB 4.25Å; L300-A399 HydrophobicContact CD1-CB 3.86Å; L300-A399 HydrophobicContact CG-CB 4.12Å; A395-A399 WeakPolarHBondContact O-CB 3.42Å; A395-A399 PolarHBondContact O-N 2.68Å; K396-A399 PolarHBondContact O-N 2.67Å; R397-A399 VanDerWaalsContact C-N 3.33Å; R397-A399 PolarHBondContact O-N 3.46Å; A399-A402 PolarHBondContact O-N 3.5Å; A399-A403 VanDerWaalsContact O-CB 3.31Å; A399-A403 WeakPolarHBondContact O-CB 3.22Å; A399-A403 PolarHBondContact O-N 3.42Å; A399-V414 HydrophobicContact CB-CG1 4.14Å
400L97.3Very high94.4Very high0 Ų032.3 Ų32.30%015%0.153CC..Hα-helixtrans-63.9-42173.8-72.2-178.6000112.5K396 R397 N398 A402 A403 E404 V414 Y415 I420 P425 V427 F429K396-L400 WeakPolarHBondContact O-CG 3.38Å; K396-L400 PolarHBondContact O-N 2.75Å; R397-L400 PolarHBondContact O-N 2.68Å; N398-L400 VanDerWaalsContact C-N 3.32Å; N398-L400 PolarHBondContact O-N 2.84Å; L400-A402 VanDerWaalsContact C-N 3.34Å; L400-A402 PolarHBondContact O-N 3.27Å; L400-A403 PolarHBondContact O-N 2.85Å; L400-E404 WeakPolarHBondContact O-CB 3.38Å; L400-E404 WeakPolarHBondContact O-CG 3.48Å; L400-E404 PolarHBondContact O-N 2.91Å; L400-V414 HydrophobicContact CD2-CG1 4.47Å; L400-Y415 HydrophobicContact CD2-CD1 4.32Å; L400-Y415 HydrophobicContact CD2-CD2 3.87Å; L400-Y415 HydrophobicContact CD2-CE1 3.98Å; L400-Y415 HydrophobicContact CD2-CE2 3.46Å; L400-Y415 VanDerWaalsContact CD2-CE2 3.46Å; L400-Y415 HydrophobicContact CD2-CG 4.29Å; L400-I420 HydrophobicContact CD1-CD1 3.71Å; L400-I420 HydrophobicContact CD2-CD1 3.69Å; L400-I420 HydrophobicContact CG-CD1 4.06Å; L400-P425 HydrophobicContact CD1-CB 4.4Å; L400-V427 HydrophobicContact CD1-CB 3.97Å; L400-V427 HydrophobicContact CD1-CG1 4.13Å; L400-F429 HydrophobicContact CB-CB 3.92Å; L400-F429 HydrophobicContact CB-CD1 3.91Å; L400-F429 HydrophobicContact CB-CG 4.04Å; L400-F429 HydrophobicContact CD1-CD1 4.09Å
401R97.9Very high95.1Very high10 Ų1031 Ų314%0.03814%0.144CC..Hα-helixtrans-56.7-48.7173.9-65.3-177.361.179.8-0.6111.4D345 G347 R397 N398 A403 V405 F429 D431 V432D345-R401 IonicContact OD1-CZ 3.93Å; D345-R401 IonicContact OD1-NE 3.23Å; D345-R401 IonicContact OD1-NH2 3.87Å; D345-R401 PolarHBondContact OD1-NH2 3.07Å; D345-R401 IonicContact OD2-CZ 2.57Å; D345-R401 VanDerWaalsContact OD2-CZ 3.29Å; D345-R401 IonicContact OD2-NE 3.45Å; D345-R401 PolarHBondContact OD2-NE 3.49Å; D345-R401 IonicContact OD2-NH2 3.77Å; D345-R401 PolarHBondContact OD2-NH2 3.27Å; G347-R401 PolarHBondContact O-NE 3.16Å; R397-R401 PolarHBondContact O-N 3.4Å; R397-R401 VanDerWaalsContact O-N 3.15Å; N398-R401 WeakPolarHBondContact O-CB 3.43Å; N398-R401 PolarHBondContact O-N 2.64Å; R401-A403 PolarHBondContact O-N 3.05Å; R401-V405 VanDerWaalsContact O-CG2 3.31Å; R401-V405 WeakPolarHBondContact O-CG2 3.48Å; R401-V405 PolarHBondContact O-N 3.42Å; R401-F429 VanDerWaalsContact CD-O 3.25Å; R401-F429 WeakPolarHBondContact CD-O 3.36Å; R401-F429 HydrophobicContact CG-CB 3.81Å; R401-F429 HydrophobicContact CG-CD2 4.23Å; R401-F429 HydrophobicContact CG-CG 4.47Å; R401-F429 WeakPolarHBondContact CG-O 3.15Å; R401-F429 PolarHBondContact NH1-O 2.71Å; R401-D431 PolarHBondContact NH1-O 3.32Å; R401-D431 PolarHBondContact NH2-O 3.5Å; R401-D431 VanDerWaalsContact NH2-O 3.17Å; R401-V432 HydrophobicContact CB-CG1 4.18Å; R401-V432 HydrophobicContact CG-CG1 4.21Å
402A98.1Very high95.7Very high1 Ų130 Ų301%0.00814%0.139CC..Hα-helixtrans-63-42.8179.100000111.6L300 M348 E357 M360 N398 A399 L400 V405 W406L300-A402 HydrophobicContact CD1-CB 3.93Å; M348-A402 HydrophobicContact CE-CB 4.01Å; E357-A402 HydrophobicContact CB-CB 4.08Å; E357-A402 HydrophobicContact CG-CB 4.23Å; M360-A402 HydrophobicContact CE-CB 3.95Å; N398-A402 PolarHBondContact O-N 3.33Å; A399-A402 PolarHBondContact O-N 3.5Å; L400-A402 VanDerWaalsContact C-N 3.34Å; L400-A402 PolarHBondContact O-N 3.27Å; A402-V405 PolarHBondContact O-N 3.36Å; A402-W406 WeakPolarHBondContact O-CB 3.29Å; A402-W406 PolarHBondContact O-N 3.17Å
403A98Very high96.2Very high0 Ų025 Ų250%011%0.113CC..Hα-helixtrans-63.2-45.6-179.700000112.7A399 L400 R401 V405 M407 K411 V414A399-A403 VanDerWaalsContact O-CB 3.31Å; A399-A403 WeakPolarHBondContact O-CB 3.22Å; A399-A403 PolarHBondContact O-N 3.42Å; L400-A403 PolarHBondContact O-N 2.85Å; R401-A403 PolarHBondContact O-N 3.05Å; A403-V405 VanDerWaalsContact C-N 3.26Å; A403-V405 PolarHBondContact O-N 3.47Å; A403-M407 HydrophobicContact CB-SD 3.84Å; A403-M407 WeakPolarHBondContact O-CB 3.32Å; A403-M407 PolarHBondContact O-N 3.33Å; A403-M407 VanDerWaalsContact O-N 3.16Å; A403-K411 HydrophobicContact CB-CB 3.97Å; A403-V414 HydrophobicContact CB-CB 4Å; A403-V414 HydrophobicContact CB-CG1 4.18Å; A403-V414 HydrophobicContact CB-CG2 3.83Å
404E97.4Very high96.5Very high53 Ų5321 Ų2125%0.24810%0.097CC..Hα-helixtrans-65.6-28-179.6-75.7-64.715600113.3L400 K411 Y415 F429 V432L400-E404 WeakPolarHBondContact O-CB 3.38Å; L400-E404 WeakPolarHBondContact O-CG 3.48Å; L400-E404 PolarHBondContact O-N 2.91Å; E404-K411 WeakPolarHBondContact OE1-CD 3.25Å; E404-K411 IonicContact OE1-NZ 3.53Å; E404-K411 PolarHBondContact OE1-NZ 2.88Å; E404-K411 IonicContact OE2-NZ 3.55Å; E404-K411 PolarHBondContact OE2-NZ 3.27Å; E404-Y415 PolarHBondContact OE1-OH 3.23Å; E404-F429 HydrophobicContact CB-CE2 4.39Å; E404-F429 HydrophobicContact CG-CE1 4.25Å; E404-F429 HydrophobicContact CG-CE2 4Å; E404-F429 HydrophobicContact CG-CZ 3.71Å; E404-V432 HydrophobicContact CB-CG2 4.48Å
405V98.4Very high96.7Very high4 Ų418.5 Ų18.52%0.0249%0.087CC..Hα-helixtrans-90.5-43.3-179.8-178.80000112.2R401 A402 A403 V432 R435 V436 R439R401-V405 VanDerWaalsContact O-CG2 3.31Å; R401-V405 WeakPolarHBondContact O-CG2 3.48Å; R401-V405 PolarHBondContact O-N 3.42Å; A402-V405 PolarHBondContact O-N 3.36Å; A403-V405 VanDerWaalsContact C-N 3.26Å; A403-V405 PolarHBondContact O-N 3.47Å; V405-V432 HydrophobicContact CG2-CB 3.68Å; V405-V432 HydrophobicContact CG2-CG1 4.15Å; V405-V432 HydrophobicContact CG2-CG2 4.14Å; V405-R435 HydrophobicContact CB-CB 4.42Å; V405-R435 HydrophobicContact CG1-CB 3.82Å; V405-R435 HydrophobicContact CG2-CB 3.72Å; V405-V436 HydrophobicContact CG1-CG2 4.49Å; V405-V436 HydrophobicContact CG2-CG2 4.16Å; V405-R439 WeakPolarHBondContact O-CD 3.31Å; V405-R439 PolarHBondContact O-NH1 2.78Å
406W98.5Very high96.9Very high1 Ų118.2 Ų18.20%0.0049%0.085CC..Hα-helixtrans-116.6-9.5-160.4-61.7107.1000115.5E357 M360 R361 Q364 A402 R439 C444 F447E357-W406 PolarHBondContact OE1-NE1 3.38Å; M360-W406 HydrophobicContact CB-CB 4.24Å; M360-W406 HydrophobicContact CE-CB 4.1Å; M360-W406 HydrophobicContact SD-CB 4.29Å; R361-W406 HydrophobicContact CB-CD2 4.22Å; R361-W406 HydrophobicContact CB-CE3 4.16Å; R361-W406 HydrophobicContact CB-CH2 3.67Å; R361-W406 HydrophobicContact CB-CZ2 3.7Å; R361-W406 HydrophobicContact CB-CZ3 3.88Å; R361-W406 VanDerWaalsContact CD-CZ2 3.45Å; R361-W406 HydrophobicContact CG-CH2 3.4Å; R361-W406 VanDerWaalsContact CG-CH2 3.4Å; R361-W406 HydrophobicContact CG-CZ2 3.71Å; R361-W406 HydrophobicContact CG-CZ3 3.93Å; Q364-W406 PolarHBondContact NE2-O 2.84Å; Q364-W406 PolarHBondContact OE1-O 3.45Å; A402-W406 WeakPolarHBondContact O-CB 3.29Å; A402-W406 PolarHBondContact O-N 3.17Å; W406-R439 HydrophobicContact CE3-CG 4.09Å; W406-R439 HydrophobicContact CH2-CB 3.87Å; W406-R439 HydrophobicContact CH2-CG 4.09Å; W406-R439 HydrophobicContact CZ3-CB 3.91Å; W406-R439 HydrophobicContact CZ3-CG 3.59Å; W406-C444 HydrophobicContact CZ3-CB 4.39Å; W406-F447 WeakPolarHBondContact O-CB 3.2Å; W406-F447 VanDerWaalsContact O-CD2 3.24Å; W406-F447 WeakPolarHBondContact O-CD2 3.39Å
407M98.4Very high96.9Very high0 Ų017.3 Ų17.30%09%0.087CC..  trans-111.15.1-169.3-60179.270.500114.6W298 L300 M360 A403 E409 Y410 K411 V414 F447W298-M407 HydrophobicContact CE3-CE 3.63Å; W298-M407 HydrophobicContact CZ3-CE 3.37Å; L300-M407 HydrophobicContact CD1-SD 4.31Å; L300-M407 HydrophobicContact CD2-CE 4.15Å; L300-M407 HydrophobicContact CD2-SD 4.01Å; M360-M407 HydrophobicContact CE-CG 4.3Å; M360-M407 HydrophobicContact CE-SD 4.37Å; M360-M407 HydrophobicContact SD-CG 3.69Å; M360-M407 HydrophobicContact SD-SD 4.07Å; A403-M407 HydrophobicContact CB-SD 3.84Å; A403-M407 WeakPolarHBondContact O-CB 3.32Å; A403-M407 PolarHBondContact O-N 3.33Å; A403-M407 VanDerWaalsContact O-N 3.16Å; M407-E409 PolarHBondContact O-N 3.39Å; M407-Y410 CarbonylContact O-C 3.47Å; M407-Y410 WeakPolarHBondContact O-CA 3.45Å; M407-Y410 VanDerWaalsContact O-CB 3.25Å; M407-Y410 WeakPolarHBondContact O-CB 3.42Å; M407-Y410 PolarHBondContact O-N 3.16Å; M407-K411 HydrophobicContact CB-CB 4.34Å; M407-K411 PolarHBondContact O-N 3.39Å; M407-V414 HydrophobicContact CE-CG2 3.48Å; M407-V414 VanDerWaalsContact CE-CG2 3.48Å; M407-V414 HydrophobicContact SD-CG2 3.51Å; M407-V414 VanDerWaalsContact SD-CG2 3.51Å; M407-F447 HydrophobicContact CB-CD1 4.24Å; M407-F447 HydrophobicContact CB-CD2 4.49Å; M407-F447 HydrophobicContact CB-CE1 4.4Å; M407-F447 HydrophobicContact CB-CG 4.28Å; M407-F447 HydrophobicContact CE-CE1 3.97Å; M407-F447 HydrophobicContact CE-CZ 3.85Å; M407-F447 HydrophobicContact CG-CD2 4.19Å; M407-F447 HydrophobicContact CG-CE1 4.36Å; M407-F447 HydrophobicContact CG-CE2 4.04Å; M407-F447 HydrophobicContact CG-CG 4.45Å; M407-F447 HydrophobicContact CG-CZ 4.12Å
408D97.7Very high96.8Very high47 Ų4718.1 Ų18.125%0.2519%0.09SC..G310 helixtrans48-131.6175.2-57.4-36.6000112.5Y410 K411 R439 S446 F447D408-Y410 PolarHBondContact O-N 3.47Å; D408-K411 WeakPolarHBondContact O-CD 3.39Å; D408-K411 VanDerWaalsContact O-CG 3.25Å; D408-K411 WeakPolarHBondContact O-CG 3.32Å; D408-K411 PolarHBondContact O-N 3.37Å; D408-R439 VanDerWaalsContact CG-NH2 3.32Å; D408-R439 IonicContact OD1-CZ 2.8Å; D408-R439 VanDerWaalsContact OD1-CZ 3.24Å; D408-R439 IonicContact OD1-NH1 3.65Å; D408-R439 PolarHBondContact OD1-NH1 2.93Å; D408-R439 IonicContact OD1-NH2 3.59Å; D408-R439 PolarHBondContact OD1-NH2 3.45Å; D408-R439 IonicContact OD2-CZ 3.19Å; D408-R439 IonicContact OD2-NH2 3.58Å; D408-R439 PolarHBondContact OD2-NH2 2.9Å; D408-S446 WeakPolarHBondContact OD2-CA 3.26Å; D408-F447 HydrophobicContact CB-CB 4.37Å; D408-F447 WeakPolarHBondContact OD2-CB 3.08Å; D408-F447 PolarHBondContact OD2-N 3.36Å
409E95.5Very high96.7Very high115 Ų11518.8 Ų18.854%0.5379%0.094SC..G310 helixtrans-67.2-20.2174.968.7-84.4-163.300113.8M407 K411 S412M407-E409 PolarHBondContact O-N 3.39Å; E409-K411 PolarHBondContact O-N 2.88Å; E409-S412 PolarHBondContact O-OG 3.38Å
410Y97.3Very high96.5Very high10 Ų1019.4 Ų19.44%0.03910%0.097CC..G310 helixtrans-76-9.4-179.6-59.5-95.3000112.8W298 M407 D408 S412 H413 F447 H448 L451 I460W298-Y410 HydrophobicContact CH2-CD1 4.25Å; M407-Y410 CarbonylContact O-C 3.47Å; M407-Y410 WeakPolarHBondContact O-CA 3.45Å; M407-Y410 VanDerWaalsContact O-CB 3.25Å; M407-Y410 WeakPolarHBondContact O-CB 3.42Å; M407-Y410 PolarHBondContact O-N 3.16Å; D408-Y410 PolarHBondContact O-N 3.47Å; Y410-S412 PolarHBondContact O-N 2.78Å; Y410-H413 AromaticContact CD1-CE1 3.89Å; Y410-H413 VanDerWaalsContact O-CB 3.3Å; Y410-H413 WeakPolarHBondContact O-CB 3.35Å; Y410-H413 PolarHBondContact O-N 3.32Å; Y410-H413 PolarHBondContact O-ND1 2.74Å; Y410-F447 HydrophobicContact CD2-CB 4.43Å; Y410-F447 AromaticContact CD2-CD1 3.68Å; Y410-F447 HydrophobicContact CD2-CD1 3.68Å; Y410-F447 AromaticContact CG-CD1 3.74Å; Y410-F447 HydrophobicContact CG-CD1 3.74Å; Y410-F447 HydrophobicContact CG-CE1 4.17Å; Y410-H448 HydrophobicContact CE2-CB 3.99Å; Y410-H448 PolarHBondContact OH-ND1 2.89Å; Y410-H448 VanDerWaalsContact OH-ND1 3.12Å; Y410-L451 HydrophobicContact CD1-CD1 3.62Å; Y410-L451 HydrophobicContact CD2-CD1 4.38Å; Y410-L451 HydrophobicContact CE1-CD1 3.54Å; Y410-L451 HydrophobicContact CE2-CD1 4.32Å; Y410-L451 HydrophobicContact CG-CD1 4.05Å; Y410-I460 HydrophobicContact CD1-CG2 4.3Å; Y410-I460 HydrophobicContact CE1-CD1 4.23Å; Y410-I460 HydrophobicContact CE1-CG2 3.88Å
411K96.6Very high96.3Very high54 Ų5421 Ų2124%0.23511%0.107CC..Hα-helixtrans-50.8-31.2172.870.8-176.4-178.1158.60112.5A403 E404 M407 D408 E409 H413 V414 Y415 M422A403-K411 HydrophobicContact CB-CB 3.97Å; E404-K411 WeakPolarHBondContact OE1-CD 3.25Å; E404-K411 IonicContact OE1-NZ 3.53Å; E404-K411 PolarHBondContact OE1-NZ 2.88Å; E404-K411 IonicContact OE2-NZ 3.55Å; E404-K411 PolarHBondContact OE2-NZ 3.27Å; M407-K411 HydrophobicContact CB-CB 4.34Å; M407-K411 PolarHBondContact O-N 3.39Å; D408-K411 WeakPolarHBondContact O-CD 3.39Å; D408-K411 VanDerWaalsContact O-CG 3.25Å; D408-K411 WeakPolarHBondContact O-CG 3.32Å; D408-K411 PolarHBondContact O-N 3.37Å; E409-K411 PolarHBondContact O-N 2.88Å; K411-H413 PolarHBondContact O-N 3.44Å; K411-V414 WeakPolarHBondContact O-CB 3.22Å; K411-V414 PolarHBondContact O-N 3.45Å; K411-Y415 VanDerWaalsContact O-CD2 3.29Å; K411-Y415 WeakPolarHBondContact O-CD2 3.3Å; K411-Y415 PolarHBondContact O-N 2.98Å; K411-M422 HydrophobicContact CG-CE 4.26Å
412S95.6Very high95.9Very high9 Ų922.4 Ų22.46%0.06312%0.115CC..Hα-helixtrans-52.6-29174.865.50000113.9E409 Y410 Y415 M416E409-S412 PolarHBondContact O-OG 3.38Å; Y410-S412 PolarHBondContact O-N 2.78Å; S412-Y415 PolarHBondContact O-N 3.02Å; S412-M416 WeakPolarHBondContact O-CB 3.25Å; S412-M416 VanDerWaalsContact O-CG 3.28Å; S412-M416 WeakPolarHBondContact O-CG 3.44Å; S412-M416 PolarHBondContact O-N 3.39Å
413H96.6Very high95.4Very high0 Ų027.9 Ų27.90%014%0.143CC..Hα-helixtrans-70.3-34.3178.7-62.462.1000112.2W298 Y410 K411 M416 A417 Y461 N462W298-H413 HydrophobicContact CB-CB 4.24Å; W298-H413 HydrophobicContact CD2-CB 3.33Å; W298-H413 AromaticContact CD2-CD2 3.93Å; W298-H413 AromaticContact CD2-CG 3.94Å; W298-H413 AromaticContact CE2-CD2 3.52Å; W298-H413 AromaticContact CE2-CG 3.98Å; W298-H413 HydrophobicContact CE3-CB 3.2Å; W298-H413 AromaticContact CE3-CG 3.93Å; W298-H413 HydrophobicContact CG-CB 3.81Å; W298-H413 HydrophobicContact CH2-CB 4.19Å; W298-H413 AromaticContact CH2-CD2 3.92Å; W298-H413 HydrophobicContact CZ2-CB 4.32Å; W298-H413 AromaticContact CZ2-CD2 3.54Å; W298-H413 HydrophobicContact CZ3-CB 3.65Å; W298-H413 AromaticContact CZ3-CG 3.94Å; W298-H413 AromaticContact NE1-CD2 3.96Å; Y410-H413 AromaticContact CD1-CE1 3.89Å; Y410-H413 VanDerWaalsContact O-CB 3.3Å; Y410-H413 WeakPolarHBondContact O-CB 3.35Å; Y410-H413 PolarHBondContact O-N 3.32Å; Y410-H413 PolarHBondContact O-ND1 2.74Å; K411-H413 PolarHBondContact O-N 3.44Å; H413-M416 HydrophobicContact CB-CE 4.2Å; H413-M416 PolarHBondContact O-N 3.36Å; H413-A417 WeakPolarHBondContact O-CB 3.49Å; H413-A417 PolarHBondContact O-N 2.67Å; H413-Y461 AromaticContact CD2-CD2 3.74Å; H413-Y461 PolarHBondContact NE2-N 3.48Å; H413-N462 PolarHBondContact CE1-OD1 2.84Å; H413-N462 VanDerWaalsContact CE1-OD1 3.25Å
414V96.6Very high94.9Very high0 Ų034.6 Ų34.60%018%0.179CC..Hα-helixtrans-67.6-44.5173.2-178.30000110.1W298 L300 A399 L400 A403 M407 K411 M416 A417 W418W298-V414 WeakPolarHBondContact O-CA 3.43Å; L300-V414 HydrophobicContact CD2-CG2 4.16Å; L300-V414 HydrophobicContact CG-CG2 4.29Å; A399-V414 HydrophobicContact CB-CG1 4.14Å; L400-V414 HydrophobicContact CD2-CG1 4.47Å; A403-V414 HydrophobicContact CB-CB 4Å; A403-V414 HydrophobicContact CB-CG1 4.18Å; A403-V414 HydrophobicContact CB-CG2 3.83Å; M407-V414 HydrophobicContact CE-CG2 3.48Å; M407-V414 VanDerWaalsContact CE-CG2 3.48Å; M407-V414 HydrophobicContact SD-CG2 3.51Å; M407-V414 VanDerWaalsContact SD-CG2 3.51Å; K411-V414 WeakPolarHBondContact O-CB 3.22Å; K411-V414 PolarHBondContact O-N 3.45Å; V414-M416 VanDerWaalsContact C-N 3.3Å; V414-M416 PolarHBondContact O-N 2.84Å; V414-A417 PolarHBondContact O-N 3.13Å; V414-W418 VanDerWaalsContact O-CD1 3.26Å; V414-W418 PolarHBondContact O-N 3.25Å
415Y95.6Very high94.4Very high4 Ų433.3 Ų33.32%0.01618%0.176CC..Hα-helixtrans-62.1-38.4176.1-76.7-107.4000112.1L400 E404 K411 S412 N419 I420 P421 M422 P425L400-Y415 HydrophobicContact CD2-CD1 4.32Å; L400-Y415 HydrophobicContact CD2-CD2 3.87Å; L400-Y415 HydrophobicContact CD2-CE1 3.98Å; L400-Y415 HydrophobicContact CD2-CE2 3.46Å; L400-Y415 VanDerWaalsContact CD2-CE2 3.46Å; L400-Y415 HydrophobicContact CD2-CG 4.29Å; E404-Y415 PolarHBondContact OE1-OH 3.23Å; K411-Y415 VanDerWaalsContact O-CD2 3.29Å; K411-Y415 WeakPolarHBondContact O-CD2 3.3Å; K411-Y415 PolarHBondContact O-N 2.98Å; S412-Y415 PolarHBondContact O-N 3.02Å; Y415-N419 PolarHBondContact O-N 3.34Å; Y415-N419 VanDerWaalsContact O-N 3.13Å; Y415-I420 HydrophobicContact CD1-CD1 3.95Å; Y415-I420 HydrophobicContact CD1-CG1 3.95Å; Y415-I420 HydrophobicContact CE1-CD1 4.36Å; Y415-I420 HydrophobicContact CG-CD1 4.4Å; Y415-I420 HydrophobicContact CG-CG1 4.34Å; Y415-I420 PolarHBondContact O-N 3.25Å; Y415-P421 WeakPolarHBondContact CD1-O 3.31Å; Y415-M422 HydrophobicContact CD1-SD 3.83Å; Y415-M422 HydrophobicContact CD2-SD 3.72Å; Y415-M422 HydrophobicContact CE1-SD 4.37Å; Y415-M422 HydrophobicContact CE2-SD 4.3Å; Y415-M422 HydrophobicContact CG-SD 3.45Å; Y415-P425 HydrophobicContact CE1-CB 3.95Å; Y415-P425 HydrophobicContact CE1-CG 4.36Å
416M95.4Very high94Very high1 Ų136.5 Ų36.51%0.00521%0.209CC..Hα-helixtrans-62.5-50171.6-74.6-168.7-7300112.2S412 H413 V414 W418 N419 T464 Y467 L502 L516 I600S412-M416 WeakPolarHBondContact O-CB 3.25Å; S412-M416 VanDerWaalsContact O-CG 3.28Å; S412-M416 WeakPolarHBondContact O-CG 3.44Å; S412-M416 PolarHBondContact O-N 3.39Å; H413-M416 HydrophobicContact CB-CE 4.2Å; H413-M416 PolarHBondContact O-N 3.36Å; V414-M416 VanDerWaalsContact C-N 3.3Å; V414-M416 PolarHBondContact O-N 2.84Å; M416-W418 PolarHBondContact O-N 3.36Å; M416-N419 PolarHBondContact O-N 3.18Å; M416-T464 HydrophobicContact SD-CG2 3.63Å; M416-Y467 HydrophobicContact CB-CD2 4.14Å; M416-Y467 HydrophobicContact CB-CE2 4.32Å; M416-Y467 HydrophobicContact CB-CG 4.4Å; M416-Y467 HydrophobicContact CG-CD1 3.65Å; M416-Y467 HydrophobicContact CG-CD2 3.74Å; M416-Y467 HydrophobicContact CG-CE1 3.89Å; M416-Y467 HydrophobicContact CG-CE2 3.97Å; M416-Y467 HydrophobicContact CG-CG 3.57Å; M416-Y467 HydrophobicContact SD-CD1 4.33Å; M416-Y467 HydrophobicContact SD-CG 4.34Å; M416-L502 WeakPolarHBondContact O-CD1 3.25Å; M416-L502 WeakPolarHBondContact O-CD2 3.33Å; M416-L516 HydrophobicContact CB-CD1 3.96Å; M416-I600 HydrophobicContact CE-CD1 4Å; M416-I600 HydrophobicContact CG-CD1 4.25Å; M416-I600 HydrophobicContact SD-CD1 3.7Å
417A94.9Very high93.6Very high33 Ų3337.2 Ų37.227%0.27321%0.214SC..Hα-helixtrans-58.8-37.4-17800000112.5W298 H413 V414 L516W298-A417 HydrophobicContact CB-CB 3.97Å; H413-A417 WeakPolarHBondContact O-CB 3.49Å; H413-A417 PolarHBondContact O-N 2.67Å; V414-A417 PolarHBondContact O-N 3.13Å; A417-L516 HydrophobicContact CB-CD1 4.15Å
418W93.8Very high93.4Very high37 Ų3743 Ų4314%0.1425%0.245CC..THydrogen-bonded Turntrans-892.1177.5-71.1106.9000114.4G299 W301 A395 K396 V414 M416 I420G299-W418 PolarHBondContact O-NE1 3.39Å; W301-W418 AromaticContact CE2-CH2 3.98Å; W301-W418 HydrophobicContact CH2-CH2 4.28Å; W301-W418 AromaticContact CZ2-CH2 3.43Å; W301-W418 HydrophobicContact CZ2-CH2 3.43Å; W301-W418 VanDerWaalsContact CZ2-CH2 3.43Å; W301-W418 AromaticContact CZ2-CZ2 3.93Å; W301-W418 HydrophobicContact CZ2-CZ2 3.93Å; W301-W418 HydrophobicContact CZ2-CZ3 4.36Å; A395-W418 HydrophobicContact CB-CH2 4.04Å; A395-W418 HydrophobicContact CB-CZ2 4.29Å; K396-W418 HydrophobicContact CB-CD2 3.98Å; K396-W418 HydrophobicContact CB-CE3 3.93Å; K396-W418 HydrophobicContact CB-CH2 4.07Å; K396-W418 HydrophobicContact CB-CZ2 4.2Å; K396-W418 HydrophobicContact CB-CZ3 3.97Å; K396-W418 HydrophobicContact CD-CE3 4.31Å; K396-W418 VanDerWaalsContact CE-CE3 3.4Å; K396-W418 HydrophobicContact CG-CB 4.31Å; K396-W418 HydrophobicContact CG-CD2 3.88Å; K396-W418 HydrophobicContact CG-CE3 4.03Å; K396-W418 HydrophobicContact CG-CG 4.03Å; V414-W418 VanDerWaalsContact O-CD1 3.26Å; V414-W418 PolarHBondContact O-N 3.25Å; M416-W418 PolarHBondContact O-N 3.36Å; W418-I420 VanDerWaalsContact C-N 3.29Å; W418-I420 HydrophobicContact CB-CD1 4.14Å; W418-I420 HydrophobicContact CB-CG1 3.96Å; W418-I420 PolarHBondContact O-N 3.05Å
419N94.1Very high93.2Very high15 Ų1542.7 Ų42.78%0.0824%0.241CC..THydrogen-bonded Turntrans5241.9-178.8-171.123.3000113.9Y415 M416 G468 G497 L502 N598Y415-N419 PolarHBondContact O-N 3.34Å; Y415-N419 VanDerWaalsContact O-N 3.13Å; M416-N419 PolarHBondContact O-N 3.18Å; N419-G468 WeakPolarHBondContact OD1-CA 3.42Å; N419-G497 PolarHBondContact ND2-O 3.3Å; N419-L502 HydrophobicContact CB-CD1 4.28Å; N419-N598 PolarHBondContact OD1-ND2 2.79Å
420I92.9Very high93.2Very high14 Ų1438.4 Ų38.47%0.07223%0.228CC..  trans-116147.4-179.749.4170.9000111K396 L400 Y415 W418 P425 Y467K396-I420 HydrophobicContact CD-CG2 4.41Å; L400-I420 HydrophobicContact CD1-CD1 3.71Å; L400-I420 HydrophobicContact CD2-CD1 3.69Å; L400-I420 HydrophobicContact CG-CD1 4.06Å; Y415-I420 HydrophobicContact CD1-CD1 3.95Å; Y415-I420 HydrophobicContact CD1-CG1 3.95Å; Y415-I420 HydrophobicContact CE1-CD1 4.36Å; Y415-I420 HydrophobicContact CG-CD1 4.4Å; Y415-I420 HydrophobicContact CG-CG1 4.34Å; Y415-I420 PolarHBondContact O-N 3.25Å; W418-I420 VanDerWaalsContact C-N 3.29Å; W418-I420 HydrophobicContact CB-CD1 4.14Å; W418-I420 HydrophobicContact CB-CG1 3.96Å; W418-I420 PolarHBondContact O-N 3.05Å; I420-P425 HydrophobicContact CD1-CB 4.26Å; I420-Y467 WeakPolarHBondContact O-CE2 3.36Å; I420-Y467 PolarHBondContact O-OH 3.23Å
421P92.7Very high93.2Very high33 Ų3343.5 Ų43.521%0.21426%0.256CS..  trans-70.9143.6-179.829.2-34.5000111.7Y415 N423 N424 P425Y415-P421 WeakPolarHBondContact CD1-O 3.31Å; P421-N423 VanDerWaalsContact C-N 3.3Å; P421-N423 PolarHBondContact O-N 3.02Å; P421-N424 WeakPolarHBondContact CG-O 3.44Å; P421-P425 WeakPolarHBondContact O-CA 3.4Å
422M90.4Very high93.2Very high40 Ų4041.8 Ų41.820%0.19725%0.25CS..SBendtrans-59.6-41174-73.4-65.7-60.400112.4K411 Y415K411-M422 HydrophobicContact CG-CE 4.26Å; Y415-M422 HydrophobicContact CD1-SD 3.83Å; Y415-M422 HydrophobicContact CD2-SD 3.72Å; Y415-M422 HydrophobicContact CE1-SD 4.37Å; Y415-M422 HydrophobicContact CE2-SD 4.3Å; Y415-M422 HydrophobicContact CG-SD 3.45Å
423N87.6Confident93.3Very high115 Ų11544.8 Ų44.862%0.61527%0.271SS*.SBendtrans-96.1126.6176.4-65.1-29.2000109P421P421-N423 VanDerWaalsContact C-N 3.3Å; P421-N423 PolarHBondContact O-N 3.02Å
424N86.8Confident93.4Very high141 Ų14151.2 Ų51.275%0.75430%0.301SS*.SBendtrans54.767.4-177.9-169.730.7000112.8P421 G426P421-N424 WeakPolarHBondContact CG-O 3.44Å; N424-G426 PolarHBondContact O-N 2.85Å
425P87.4Confident93.4Very high26 Ų2651.6 Ų51.617%0.16930%0.303CS..  trans-62.1-11.1-173.423.5-33.2000114.9L400 Y415 I420 P421 V427L400-P425 HydrophobicContact CD1-CB 4.4Å; Y415-P425 HydrophobicContact CE1-CB 3.95Å; Y415-P425 HydrophobicContact CE1-CG 4.36Å; I420-P425 HydrophobicContact CD1-CB 4.26Å; P421-P425 WeakPolarHBondContact O-CA 3.4Å; P425-V427 PolarHBondContact O-N 2.88Å
426G89.2Confident93.6Very high71 Ų7153.6 Ų53.673%0.73232%0.315SS*.SBendtrans70.19.2-175.700000113.7N424N424-G426 PolarHBondContact O-N 2.85Å
427V91.1Very high93.7Very high17 Ų1755.2 Ų55.210%0.10333%0.329CS..  trans-126.6120.4175.9-179.10000107.5Y393 K396 R397 L400 P425 F429Y393-V427 HydrophobicContact CE2-CG1 4.31Å; K396-V427 HydrophobicContact CD-CG2 3.73Å; K396-V427 HydrophobicContact CG-CG2 4.39Å; R397-V427 HydrophobicContact CB-CG1 4.08Å; R397-V427 HydrophobicContact CG-CG1 4.33Å; L400-V427 HydrophobicContact CD1-CB 3.97Å; L400-V427 HydrophobicContact CD1-CG1 4.13Å; P425-V427 PolarHBondContact O-N 2.88Å; V427-F429 PolarHBondContact O-N 3.34Å
428D93.1Very high93.9Very high120 Ų12054.3 Ų54.364%0.64232%0.319SS*.  trans-83.2103.4173.9-177.29.3000109.7R397 G430R397-D428 WeakPolarHBondContact CD-O 3.2Å; R397-D428 WeakPolarHBondContact CG-O 3.39Å; R397-D428 PolarHBondContact NE-O 3.16Å; R397-D428 VanDerWaalsContact NE-O 3.11Å; D428-G430 VanDerWaalsContact C-N 3.31Å; D428-G430 WeakPolarHBondContact OD1-CA 3.44Å; D428-G430 PolarHBondContact OD1-N 3.38Å
429F94.5Very high94.1Very high41 Ų4154.1 Ų54.118%0.1832%0.318CS..  trans-87.81.2176.564.1-101.6000113.3R397 L400 R401 E404 V427 V432R397-F429 HydrophobicContact CG-CB 4.17Å; R397-F429 PolarHBondContact NH2-O 2.93Å; L400-F429 HydrophobicContact CB-CB 3.92Å; L400-F429 HydrophobicContact CB-CD1 3.91Å; L400-F429 HydrophobicContact CB-CG 4.04Å; L400-F429 HydrophobicContact CD1-CD1 4.09Å; R401-F429 VanDerWaalsContact CD-O 3.25Å; R401-F429 WeakPolarHBondContact CD-O 3.36Å; R401-F429 HydrophobicContact CG-CB 3.81Å; R401-F429 HydrophobicContact CG-CD2 4.23Å; R401-F429 HydrophobicContact CG-CG 4.47Å; R401-F429 WeakPolarHBondContact CG-O 3.15Å; R401-F429 PolarHBondContact NH1-O 2.71Å; E404-F429 HydrophobicContact CB-CE2 4.39Å; E404-F429 HydrophobicContact CG-CE1 4.25Å; E404-F429 HydrophobicContact CG-CE2 4Å; E404-F429 HydrophobicContact CG-CZ 3.71Å; V427-F429 PolarHBondContact O-N 3.34Å; F429-V432 HydrophobicContact CD2-CG1 4.1Å; F429-V432 HydrophobicContact CE2-CG1 4.22Å; F429-V432 HydrophobicContact CE2-CG2 4.42Å
430G95.2Very high94.3Very high25 Ų2560.9 Ų60.926%0.25835%0.347SS..  trans71.8-176.7177.400000114.7D428D428-G430 VanDerWaalsContact C-N 3.31Å; D428-G430 WeakPolarHBondContact OD1-CA 3.44Å; D428-G430 PolarHBondContact OD1-N 3.38Å
431D96.6Very high94.5Very high117 Ų11768 Ų6863%0.62637%0.373SS*.  trans-72.4135179.3-174.620.5000111.8R401 S433R401-D431 PolarHBondContact NH1-O 3.32Å; R401-D431 PolarHBondContact NH2-O 3.5Å; R401-D431 VanDerWaalsContact NH2-O 3.17Å; D431-S433 WeakPolarHBondContact OD1-CB 3.46Å; D431-S433 PolarHBondContact OD1-N 2.9Å; D431-S433 PolarHBondContact OD1-OG 2.96Å
432V97.7Very high94.7Very high19 Ų1969.3 Ų69.312%0.11538%0.377CS..  trans-120.86.6177.5-62.80000112.4R401 E404 V405 F429 E434 R435 V436R401-V432 HydrophobicContact CB-CG1 4.18Å; R401-V432 HydrophobicContact CG-CG1 4.21Å; E404-V432 HydrophobicContact CB-CG2 4.48Å; V405-V432 HydrophobicContact CG2-CB 3.68Å; V405-V432 HydrophobicContact CG2-CG1 4.15Å; V405-V432 HydrophobicContact CG2-CG2 4.14Å; F429-V432 HydrophobicContact CD2-CG1 4.1Å; F429-V432 HydrophobicContact CE2-CG1 4.22Å; F429-V432 HydrophobicContact CE2-CG2 4.42Å; V432-E434 VanDerWaalsContact C-N 3.27Å; V432-E434 PolarHBondContact O-N 3.26Å; V432-R435 PolarHBondContact O-N 2.8Å; V432-V436 HydrophobicContact CG2-CG2 4.24Å; V432-V436 WeakPolarHBondContact O-CG2 3.17Å; V432-V436 PolarHBondContact O-N 2.93Å
433S98.1Very high95.1Very high72 Ų7275.8 Ų75.850%0.50341%0.407SS..Hα-helixtrans-55.5-39.1-174.3-62.40000113.1D431 V436 A437D431-S433 WeakPolarHBondContact OD1-CB 3.46Å; D431-S433 PolarHBondContact OD1-N 2.9Å; D431-S433 PolarHBondContact OD1-OG 2.96Å; S433-V436 PolarHBondContact O-N 2.94Å; S433-A437 WeakPolarHBondContact O-CB 3.41Å; S433-A437 PolarHBondContact O-N 2.8Å
434E97.3Very high95.6Very high134 Ų13471.4 Ų71.463%0.62639%0.385SS*.Hα-helixtrans-64.5-43.1177-168.8-170.8170.400112.1V432 A437 L438V432-E434 VanDerWaalsContact C-N 3.27Å; V432-E434 PolarHBondContact O-N 3.26Å; E434-A437 PolarHBondContact O-N 3.47Å; E434-L438 WeakPolarHBondContact O-CB 3.37Å; E434-L438 PolarHBondContact O-N 2.73Å
435R98.3Very high96.2Very high9 Ų971.1 Ų71.13%0.03437%0.373CS..Hα-helixtrans-67.7-38.6178.7-53.6-59.3-74.6-179.7-5.7111G342 E357 V405 V432 L438 R439G342-R435 PolarHBondContact O-NH1 2.67Å; E357-R435 IonicContact OE1-CZ 3.44Å; E357-R435 IonicContact OE1-NE 2.89Å; E357-R435 IonicContact OE1-NH2 3.88Å; E357-R435 PolarHBondContact OE1-NH2 2.99Å; E357-R435 IonicContact OE2-NH2 3.58Å; V405-R435 HydrophobicContact CB-CB 4.42Å; V405-R435 HydrophobicContact CG1-CB 3.82Å; V405-R435 HydrophobicContact CG2-CB 3.72Å; V432-R435 PolarHBondContact O-N 2.8Å; R435-L438 WeakPolarHBondContact O-CB 3.39Å; R435-L438 PolarHBondContact O-N 3.25Å; R435-R439 PolarHBondContact O-N 2.82Å
436V98.3Very high96.7Very high45 Ų4572.2 Ų72.227%0.27338%0.382SS..Hα-helixtrans-63.6-42.9172.3174.20000111.2V405 V432 S433 L438 R439 K440V405-V436 HydrophobicContact CG1-CG2 4.49Å; V405-V436 HydrophobicContact CG2-CG2 4.16Å; V432-V436 HydrophobicContact CG2-CG2 4.24Å; V432-V436 WeakPolarHBondContact O-CG2 3.17Å; V432-V436 PolarHBondContact O-N 2.93Å; S433-V436 PolarHBondContact O-N 2.94Å; V436-L438 VanDerWaalsContact C-N 3.35Å; V436-R439 PolarHBondContact O-N 2.81Å; V436-K440 HydrophobicContact CG1-CD 4.43Å; V436-K440 WeakPolarHBondContact O-CG 3.46Å; V436-K440 PolarHBondContact O-N 3.02Å; V436-K440 VanDerWaalsContact O-N 3.11Å
437A98.3Very high97.2Very high36 Ų3668.9 Ų68.930%0.29835%0.347SS..Hα-helixtrans-64.4-40.5177.400000111.6S433 E434 K440 R441S433-A437 WeakPolarHBondContact O-CB 3.41Å; S433-A437 PolarHBondContact O-N 2.8Å; E434-A437 PolarHBondContact O-N 3.47Å; A437-K440 PolarHBondContact O-N 3.38Å; A437-R441 WeakPolarHBondContact O-CG 3.43Å; A437-R441 PolarHBondContact O-N 3.45Å
438L98.1Very high97.5Very high13 Ų1371.6 Ų71.67%0.06836%0.358CS..Hα-helixtrans-57.9-51.8173.417567.1000111.5I341 E434 R435 V436 K440 R441 M442I341-L438 WeakPolarHBondContact O-CD2 3.42Å; E434-L438 WeakPolarHBondContact O-CB 3.37Å; E434-L438 PolarHBondContact O-N 2.73Å; R435-L438 WeakPolarHBondContact O-CB 3.39Å; R435-L438 PolarHBondContact O-N 3.25Å; V436-L438 VanDerWaalsContact C-N 3.35Å; L438-K440 PolarHBondContact O-N 3.03Å; L438-R441 PolarHBondContact O-N 3.01Å; L438-R441 VanDerWaalsContact O-N 3.12Å; L438-M442 HydrophobicContact CD1-CG 4.09Å; L438-M442 HydrophobicContact CD1-SD 3.93Å; L438-M442 HydrophobicContact CG-SD 4.4Å; L438-M442 WeakPolarHBondContact O-CG 3.35Å; L438-M442 PolarHBondContact O-N 3.35Å
439R98.4Very high97.8Very high34 Ų3468.2 Ų68.213%0.12834%0.336CS..Hα-helixtrans-54.3-41.5177.4-175175.6-177.2-151.5-4.1112.3V405 W406 D408 R435 V436 Q443 C444 R445V405-R439 WeakPolarHBondContact O-CD 3.31Å; V405-R439 PolarHBondContact O-NH1 2.78Å; W406-R439 HydrophobicContact CE3-CG 4.09Å; W406-R439 HydrophobicContact CH2-CB 3.87Å; W406-R439 HydrophobicContact CH2-CG 4.09Å; W406-R439 HydrophobicContact CZ3-CB 3.91Å; W406-R439 HydrophobicContact CZ3-CG 3.59Å; D408-R439 VanDerWaalsContact CG-NH2 3.32Å; D408-R439 IonicContact OD1-CZ 2.8Å; D408-R439 VanDerWaalsContact OD1-CZ 3.24Å; D408-R439 IonicContact OD1-NH1 3.65Å; D408-R439 PolarHBondContact OD1-NH1 2.93Å; D408-R439 IonicContact OD1-NH2 3.59Å; D408-R439 PolarHBondContact OD1-NH2 3.45Å; D408-R439 IonicContact OD2-CZ 3.19Å; D408-R439 IonicContact OD2-NH2 3.58Å; D408-R439 PolarHBondContact OD2-NH2 2.9Å; R435-R439 PolarHBondContact O-N 2.82Å; V436-R439 PolarHBondContact O-N 2.81Å; R439-Q443 PolarHBondContact O-N 3.43Å; R439-C444 HydrophobicContact CG-CB 3.91Å; R439-C444 PolarHBondContact O-N 2.68Å; R439-C444 PolarHBondContact O-SG 3.2Å; R439-R445 PolarHBondContact NH2-O 3.18Å
440K98Very high97.9Very high157 Ų15766.2 Ų66.268%0.68333%0.328SS*.Hα-helixtrans-67.1-46.4176.5-71.3176.6-178.2178.60112.5V436 A437 L438 M442 Q443V436-K440 HydrophobicContact CG1-CD 4.43Å; V436-K440 WeakPolarHBondContact O-CG 3.46Å; V436-K440 PolarHBondContact O-N 3.02Å; V436-K440 VanDerWaalsContact O-N 3.11Å; A437-K440 PolarHBondContact O-N 3.38Å; L438-K440 PolarHBondContact O-N 3.03Å; K440-M442 VanDerWaalsContact C-N 3.3Å; K440-M442 PolarHBondContact O-N 3.44Å; K440-Q443 PolarHBondContact O-N 3.24Å; K440-Q443 VanDerWaalsContact O-N 3.13Å
441R97.7Very high98.1Very high164 Ų16465.3 Ų65.362%0.61932%0.317SS*.Hα-helixtrans-61.2-39.3-179.9-74.4-170.3-52.8-97.23.4112.1A437 L438 Q443A437-R441 WeakPolarHBondContact O-CG 3.43Å; A437-R441 PolarHBondContact O-N 3.45Å; L438-R441 PolarHBondContact O-N 3.01Å; L438-R441 VanDerWaalsContact O-N 3.12Å; R441-Q443 PolarHBondContact O-N 3.1Å
442M97.6Very high98.1Very high60 Ų6065 Ų6530%0.29631%0.312SS..THydrogen-bonded Turntrans-80.9-1.2179.1-64.4-165.175.800113.7I341 C365 L438 K440 C444I341-M442 HydrophobicContact CB-CE 4.45Å; I341-M442 HydrophobicContact CB-SD 4.46Å; I341-M442 HydrophobicContact CG2-CE 3.76Å; I341-M442 HydrophobicContact CG2-SD 4.39Å; C365-M442 HydrophobicContact CB-CB 4.46Å; C365-M442 HydrophobicContact CB-CE 4.08Å; C365-M442 HydrophobicContact CB-SD 4.32Å; L438-M442 HydrophobicContact CD1-CG 4.09Å; L438-M442 HydrophobicContact CD1-SD 3.93Å; L438-M442 HydrophobicContact CG-SD 4.4Å; L438-M442 WeakPolarHBondContact O-CG 3.35Å; L438-M442 PolarHBondContact O-N 3.35Å; K440-M442 VanDerWaalsContact C-N 3.3Å; K440-M442 PolarHBondContact O-N 3.44Å; M442-C444 WeakPolarHBondContact CB-SG 3.35Å; M442-C444 PolarHBondContact O-N 2.58Å
443Q97.9Very high98.1Very high176 Ų17668.3 Ų68.382%0.82233%0.326SS*.THydrogen-bonded Turntrans52.440.7-179.3-56.3-177-45.700112.7R439 K440 R441R439-Q443 PolarHBondContact O-N 3.43Å; K440-Q443 PolarHBondContact O-N 3.24Å; K440-Q443 VanDerWaalsContact O-N 3.13Å; R441-Q443 PolarHBondContact O-N 3.1Å
444C98.5Very high98Very high22 Ų2265.4 Ų65.415%0.14931%0.305CS..PPolyproline II helixtrans-64.8148-175.8-480000111.3Q364 C365 W406 R439 M442Q364-C444 HydrophobicContact CB-CB 4.07Å; Q364-C444 CarbonylContact O-C 3.24Å; Q364-C444 VanDerWaalsContact O-CA 3.28Å; Q364-C444 WeakPolarHBondContact O-CA 3.49Å; Q364-C444 WeakPolarHBondContact O-CB 3.39Å; C365-C444 HydrophobicContact CB-CB 4.04Å; C365-C444 WeakPolarHBondContact CB-SG 3.03Å; C365-C444 WeakPolarHBondContact SG-CB 3.21Å; C365-C444 CovalentContact SG-SG 2.04Å; C365-C444 PolarHBondContact SG-SG 2.83Å; W406-C444 HydrophobicContact CZ3-CB 4.39Å; R439-C444 HydrophobicContact CG-CB 3.91Å; R439-C444 PolarHBondContact O-N 2.68Å; R439-C444 PolarHBondContact O-SG 3.2Å; M442-C444 WeakPolarHBondContact CB-SG 3.35Å; M442-C444 PolarHBondContact O-N 2.58Å
445R98.6Very high98Very high135 Ų13559 Ų5951%0.50928%0.275SS..PPolyproline II helixtrans-64.4165.5176.1-58.6-179.2-179.8-106.9-1.4111.3Q364 R439 W449Q364-R445 PolarHBondContact O-N 3.22Å; Q364-R445 PolarHBondContact OE1-O 3.34Å; R439-R445 PolarHBondContact NH2-O 3.18Å; R445-W449 HydrophobicContact CB-CB 4.24Å; R445-W449 HydrophobicContact CB-CD2 3.97Å; R445-W449 HydrophobicContact CB-CE3 3.81Å; R445-W449 HydrophobicContact CB-CG 4.13Å; R445-W449 VanDerWaalsContact CD-CE3 3.46Å; R445-W449 HydrophobicContact CG-CD2 4.23Å; R445-W449 HydrophobicContact CG-CE3 4.27Å
446S98.6Very high97.9Very high50 Ų5062.1 Ų62.135%0.3530%0.296SS..PPolyproline II helixtrans-73.9160.3176.463.30000112D408 H448 W449 Y450D408-S446 WeakPolarHBondContact OD2-CA 3.26Å; S446-H448 PolarHBondContact O-N 3.14Å; S446-W449 WeakPolarHBondContact O-CB 3.41Å; S446-W449 PolarHBondContact O-N 3.33Å; S446-W449 PolarHBondContact OG-N 3.5Å; S446-Y450 PolarHBondContact O-N 3.4Å
447F98.6Very high97.6Very high0 Ų062.2 Ų62.20%029%0.294CS..Hα-helixtrans-67-29.6172.1-165.4-110.3000112W298 M360 W406 M407 D408 Y410 W449 Y450 L451W298-F447 HydrophobicContact CH2-CE1 4.02Å; W298-F447 AromaticContact CZ3-CE1 3.95Å; W298-F447 HydrophobicContact CZ3-CE1 3.95Å; W298-F447 HydrophobicContact CZ3-CZ 4.42Å; M360-F447 HydrophobicContact CG-CE2 3.98Å; M360-F447 HydrophobicContact SD-CD2 4.22Å; M360-F447 HydrophobicContact SD-CE2 3.5Å; M360-F447 VanDerWaalsContact SD-CE2 3.5Å; M360-F447 HydrophobicContact SD-CZ 4.23Å; W406-F447 WeakPolarHBondContact O-CB 3.2Å; W406-F447 VanDerWaalsContact O-CD2 3.24Å; W406-F447 WeakPolarHBondContact O-CD2 3.39Å; M407-F447 HydrophobicContact CB-CD1 4.24Å; M407-F447 HydrophobicContact CB-CD2 4.49Å; M407-F447 HydrophobicContact CB-CE1 4.4Å; M407-F447 HydrophobicContact CB-CG 4.28Å; M407-F447 HydrophobicContact CE-CE1 3.97Å; M407-F447 HydrophobicContact CE-CZ 3.85Å; M407-F447 HydrophobicContact CG-CD2 4.19Å; M407-F447 HydrophobicContact CG-CE1 4.36Å; M407-F447 HydrophobicContact CG-CE2 4.04Å; M407-F447 HydrophobicContact CG-CG 4.45Å; M407-F447 HydrophobicContact CG-CZ 4.12Å; D408-F447 HydrophobicContact CB-CB 4.37Å; D408-F447 WeakPolarHBondContact OD2-CB 3.08Å; D408-F447 PolarHBondContact OD2-N 3.36Å; Y410-F447 HydrophobicContact CD2-CB 4.43Å; Y410-F447 AromaticContact CD2-CD1 3.68Å; Y410-F447 HydrophobicContact CD2-CD1 3.68Å; Y410-F447 AromaticContact CG-CD1 3.74Å; Y410-F447 HydrophobicContact CG-CD1 3.74Å; Y410-F447 HydrophobicContact CG-CE1 4.17Å; F447-W449 VanDerWaalsContact C-N 3.34Å; F447-W449 PolarHBondContact O-N 2.94Å; F447-Y450 AromaticContact CD2-CD1 3.99Å; F447-Y450 HydrophobicContact CD2-CD1 3.99Å; F447-Y450 HydrophobicContact CD2-CG 4.31Å; F447-Y450 AromaticContact CE2-CD1 3.53Å; F447-Y450 HydrophobicContact CE2-CD1 3.53Å; F447-Y450 AromaticContact CE2-CE1 3.91Å; F447-Y450 HydrophobicContact CE2-CE1 3.91Å; F447-Y450 HydrophobicContact CE2-CG 4.24Å; F447-Y450 HydrophobicContact CZ-CD1 4.07Å; F447-Y450 HydrophobicContact CZ-CE1 4.32Å; F447-Y450 WeakPolarHBondContact O-CB 3.38Å; F447-Y450 PolarHBondContact O-N 3.47Å; F447-L451 HydrophobicContact CD1-CD1 3.9Å; F447-L451 HydrophobicContact CD1-CG 4.05Å; F447-L451 HydrophobicContact CE1-CD1 3.72Å; F447-L451 HydrophobicContact CE1-CD2 3.88Å; F447-L451 HydrophobicContact CE1-CG 3.76Å; F447-L451 HydrophobicContact CZ-CD2 4.02Å; F447-L451 HydrophobicContact CZ-CG 4.25Å; F447-L451 WeakPolarHBondContact O-CG 3.42Å; F447-L451 PolarHBondContact O-N 3.03Å
448H98.4Very high97.5Very high74 Ų7460.7 Ų60.734%0.34328%0.281SS..Hα-helixtrans-58.5-46.1170.8-179.751.9000111.7Y410 S446 Y450 L451 E452Y410-H448 HydrophobicContact CE2-CB 3.99Å; Y410-H448 PolarHBondContact OH-ND1 2.89Å; Y410-H448 VanDerWaalsContact OH-ND1 3.12Å; S446-H448 PolarHBondContact O-N 3.14Å; H448-Y450 VanDerWaalsContact C-N 3.28Å; H448-Y450 PolarHBondContact O-N 3.06Å; H448-L451 PolarHBondContact O-N 3.28Å; H448-E452 IonicContact CE1-OE1 2.71Å; H448-E452 PolarHBondContact CE1-OE1 2.78Å; H448-E452 VanDerWaalsContact CE1-OE1 3.25Å; H448-E452 IonicContact NE2-OE1 3.73Å; H448-E452 PolarHBondContact NE2-OE1 2.96Å; H448-E452 IonicContact NE2-OE2 3.19Å; H448-E452 PolarHBondContact O-N 2.81Å
449W98.5Very high97.3Very high49 Ų4962.7 Ų62.719%0.18629%0.287CS..Hα-helixtrans-59.8-41.2174.7175.389.2000111.6W363 R445 S446 F447 E452 H453 V454W363-W449 WeakPolarHBondContact O-CZ3 3.33Å; R445-W449 HydrophobicContact CB-CB 4.24Å; R445-W449 HydrophobicContact CB-CD2 3.97Å; R445-W449 HydrophobicContact CB-CE3 3.81Å; R445-W449 HydrophobicContact CB-CG 4.13Å; R445-W449 VanDerWaalsContact CD-CE3 3.46Å; R445-W449 HydrophobicContact CG-CD2 4.23Å; R445-W449 HydrophobicContact CG-CE3 4.27Å; S446-W449 WeakPolarHBondContact O-CB 3.41Å; S446-W449 PolarHBondContact O-N 3.33Å; S446-W449 PolarHBondContact OG-N 3.5Å; F447-W449 VanDerWaalsContact C-N 3.34Å; F447-W449 PolarHBondContact O-N 2.94Å; W449-E452 PolarHBondContact O-N 3.41Å; W449-H453 AromaticContact CD1-CE1 3.43Å; W449-H453 VanDerWaalsContact CD1-CE1 3.43Å; W449-H453 AromaticContact CD1-CG 3.9Å; W449-H453 AromaticContact CD1-ND1 3.26Å; W449-H453 VanDerWaalsContact CD1-ND1 3.26Å; W449-H453 HydrophobicContact CD2-CB 4.34Å; W449-H453 AromaticContact CE2-CG 3.77Å; W449-H453 AromaticContact CE2-ND1 3.89Å; W449-H453 AromaticContact CG-ND1 3.73Å; W449-H453 HydrophobicContact CZ2-CB 3.98Å; W449-H453 AromaticContact NE1-CD2 3.76Å; W449-H453 AromaticContact NE1-CE1 3.6Å; W449-H453 AromaticContact NE1-CG 3.46Å; W449-H453 AromaticContact NE1-ND1 3.34Å; W449-H453 PolarHBondContact NE1-ND1 2.84Å; W449-H453 AromaticContact NE1-NE2 3.8Å; W449-H453 WeakPolarHBondContact O-CB 3.19Å; W449-H453 PolarHBondContact O-N 3.45Å; W449-H453 PolarHBondContact O-ND1 2.83Å; W449-V454 HydrophobicContact CH2-CG2 4.09Å; W449-V454 HydrophobicContact CZ3-CG2 3.79Å
450Y98.6Very high97.2Very high0 Ų064.5 Ų64.50%030%0.299CS..Hα-helixtrans-60.1-46.6176.7173.4-86.4000111.7Y296 P324 W363 Q364 S446 F447 H448 E452 H453 V454 Y455Y296-Y450 WeakPolarHBondContact CE1-OH 3.42Å; Y296-Y450 VanDerWaalsContact OH-CE1 3.22Å; Y296-Y450 WeakPolarHBondContact OH-CE1 3.42Å; Y296-Y450 PolarHBondContact OH-OH 3.44Å; P324-Y450 VanDerWaalsContact CB-OH 3.25Å; P324-Y450 WeakPolarHBondContact CB-OH 3.14Å; P324-Y450 PolarHBondContact O-OH 3.26Å; W363-Y450 HydrophobicContact CB-CD2 3.72Å; W363-Y450 HydrophobicContact CB-CE2 3.84Å; W363-Y450 AromaticContact CD1-CE2 3.95Å; W363-Y450 HydrophobicContact CG-CD2 4.37Å; W363-Y450 HydrophobicContact CG-CE2 4.11Å; Q364-Y450 HydrophobicContact CG-CD2 4.48Å; S446-Y450 PolarHBondContact O-N 3.4Å; F447-Y450 AromaticContact CD2-CD1 3.99Å; F447-Y450 HydrophobicContact CD2-CD1 3.99Å; F447-Y450 HydrophobicContact CD2-CG 4.31Å; F447-Y450 AromaticContact CE2-CD1 3.53Å; F447-Y450 HydrophobicContact CE2-CD1 3.53Å; F447-Y450 AromaticContact CE2-CE1 3.91Å; F447-Y450 HydrophobicContact CE2-CE1 3.91Å; F447-Y450 HydrophobicContact CE2-CG 4.24Å; F447-Y450 HydrophobicContact CZ-CD1 4.07Å; F447-Y450 HydrophobicContact CZ-CE1 4.32Å; F447-Y450 WeakPolarHBondContact O-CB 3.38Å; F447-Y450 PolarHBondContact O-N 3.47Å; H448-Y450 VanDerWaalsContact C-N 3.28Å; H448-Y450 PolarHBondContact O-N 3.06Å; Y450-E452 PolarHBondContact O-N 2.99Å; Y450-H453 PolarHBondContact O-N 2.91Å; Y450-V454 HydrophobicContact CD2-CB 3.8Å; Y450-V454 HydrophobicContact CD2-CG1 4.03Å; Y450-V454 HydrophobicContact CD2-CG2 3.8Å; Y450-V454 HydrophobicContact CE2-CB 3.88Å; Y450-V454 HydrophobicContact CE2-CG1 3.62Å; Y450-V454 HydrophobicContact CE2-CG2 4.26Å; Y450-V454 HydrophobicContact CG-CB 4.22Å; Y450-V454 HydrophobicContact CG-CG2 4.35Å; Y450-V454 WeakPolarHBondContact O-CA 3.4Å; Y450-V454 WeakPolarHBondContact O-CB 2.93Å; Y450-V454 PolarHBondContact O-N 2.86Å; Y450-Y455 HydrophobicContact CE1-CD1 4.4Å; Y450-Y455 PolarHBondContact O-N 2.83Å
451L97.8Very high97Very high6 Ų657.2 Ų57.23%0.03127%0.267CS..Hα-helixtrans-62.3-42.3176.5-68.4175.2000111.6W298 Y410 F447 H448 Y455 P456 M458 I460W298-L451 HydrophobicContact CH2-CD1 4.27Å; W298-L451 HydrophobicContact CH2-CD2 4.44Å; Y410-L451 HydrophobicContact CD1-CD1 3.62Å; Y410-L451 HydrophobicContact CD2-CD1 4.38Å; Y410-L451 HydrophobicContact CE1-CD1 3.54Å; Y410-L451 HydrophobicContact CE2-CD1 4.32Å; Y410-L451 HydrophobicContact CG-CD1 4.05Å; F447-L451 HydrophobicContact CD1-CD1 3.9Å; F447-L451 HydrophobicContact CD1-CG 4.05Å; F447-L451 HydrophobicContact CE1-CD1 3.72Å; F447-L451 HydrophobicContact CE1-CD2 3.88Å; F447-L451 HydrophobicContact CE1-CG 3.76Å; F447-L451 HydrophobicContact CZ-CD2 4.02Å; F447-L451 HydrophobicContact CZ-CG 4.25Å; F447-L451 WeakPolarHBondContact O-CG 3.42Å; F447-L451 PolarHBondContact O-N 3.03Å; H448-L451 PolarHBondContact O-N 3.28Å; L451-Y455 CarbonylContact O-C 3.4Å; L451-P456 WeakPolarHBondContact O-CA 3.23Å; L451-M458 HydrophobicContact CD2-CB 4.06Å; L451-M458 HydrophobicContact CD2-CG 4.4Å; L451-M458 HydrophobicContact CD2-SD 3.85Å; L451-I460 HydrophobicContact CD1-CD1 3.9Å; L451-I460 HydrophobicContact CD1-CG1 4.24Å
452E97.2Very high96.7Very high109 Ų10954 Ų5451%0.50926%0.262SS..Hα-helixtrans-70-37-179.4-71.8-172.714900113.9H448 W449 Y450H448-E452 IonicContact CE1-OE1 2.71Å; H448-E452 PolarHBondContact CE1-OE1 2.78Å; H448-E452 VanDerWaalsContact CE1-OE1 3.25Å; H448-E452 IonicContact NE2-OE1 3.73Å; H448-E452 PolarHBondContact NE2-OE1 2.96Å; H448-E452 IonicContact NE2-OE2 3.19Å; H448-E452 PolarHBondContact O-N 2.81Å; W449-E452 PolarHBondContact O-N 3.41Å; Y450-E452 PolarHBondContact O-N 2.99Å
453H96.8Very high96.5Very high90 Ų9053.3 Ų53.342%0.41726%0.26SS..Hα-helixtrans-109.6-19.6-166.9-61.877000113.9R322 W449 Y450R322-H453 PolarHBondContact NH1-O 3.06Å; R322-H453 PolarHBondContact NH2-O 3.48Å; W449-H453 AromaticContact CD1-CE1 3.43Å; W449-H453 VanDerWaalsContact CD1-CE1 3.43Å; W449-H453 AromaticContact CD1-CG 3.9Å; W449-H453 AromaticContact CD1-ND1 3.26Å; W449-H453 VanDerWaalsContact CD1-ND1 3.26Å; W449-H453 HydrophobicContact CD2-CB 4.34Å; W449-H453 AromaticContact CE2-CG 3.77Å; W449-H453 AromaticContact CE2-ND1 3.89Å; W449-H453 AromaticContact CG-ND1 3.73Å; W449-H453 HydrophobicContact CZ2-CB 3.98Å; W449-H453 AromaticContact NE1-CD2 3.76Å; W449-H453 AromaticContact NE1-CE1 3.6Å; W449-H453 AromaticContact NE1-CG 3.46Å; W449-H453 AromaticContact NE1-ND1 3.34Å; W449-H453 PolarHBondContact NE1-ND1 2.84Å; W449-H453 AromaticContact NE1-NE2 3.8Å; W449-H453 WeakPolarHBondContact O-CB 3.19Å; W449-H453 PolarHBondContact O-N 3.45Å; W449-H453 PolarHBondContact O-ND1 2.83Å; Y450-H453 PolarHBondContact O-N 2.91Å
454V97.3Very high96.4Very high11 Ų1145.3 Ų45.37%0.06722%0.223CC..THydrogen-bonded Turntrans-117.3-45.7-173.3-172.90000111P324 W363 W449 Y450 P456P324-V454 HydrophobicContact CB-CG1 4.19Å; W363-V454 HydrophobicContact CB-CG1 4.32Å; W363-V454 HydrophobicContact CB-CG2 3.92Å; W363-V454 HydrophobicContact CD2-CB 4.41Å; W363-V454 HydrophobicContact CD2-CG1 3.65Å; W363-V454 HydrophobicContact CD2-CG2 3.81Å; W363-V454 HydrophobicContact CE3-CG1 4.39Å; W363-V454 HydrophobicContact CE3-CG2 3.86Å; W363-V454 HydrophobicContact CG-CB 4.36Å; W363-V454 HydrophobicContact CG-CG1 3.58Å; W363-V454 HydrophobicContact CG-CG2 3.86Å; W363-V454 HydrophobicContact CZ2-CG1 4.46Å; W449-V454 HydrophobicContact CH2-CG2 4.09Å; W449-V454 HydrophobicContact CZ3-CG2 3.79Å; Y450-V454 HydrophobicContact CD2-CB 3.8Å; Y450-V454 HydrophobicContact CD2-CG1 4.03Å; Y450-V454 HydrophobicContact CD2-CG2 3.8Å; Y450-V454 HydrophobicContact CE2-CB 3.88Å; Y450-V454 HydrophobicContact CE2-CG1 3.62Å; Y450-V454 HydrophobicContact CE2-CG2 4.26Å; Y450-V454 HydrophobicContact CG-CB 4.22Å; Y450-V454 HydrophobicContact CG-CG2 4.35Å; Y450-V454 WeakPolarHBondContact O-CA 3.4Å; Y450-V454 WeakPolarHBondContact O-CB 2.93Å; Y450-V454 PolarHBondContact O-N 2.86Å; V454-P456 VanDerWaalsContact C-CD 3.45Å
455Y96.9Very high96.1Very high0 Ų046.8 Ų46.80%023%0.229CC..  trans-13258.2-176.7-159.7-171000113.7Y296 I305 P324 Y450 L451 E457 M458 T519Y296-Y455 HydrophobicContact CD1-CD1 4.43Å; Y296-Y455 HydrophobicContact CD1-CE1 4.04Å; Y296-Y455 HydrophobicContact CE1-CD1 4.03Å; Y296-Y455 HydrophobicContact CE1-CE1 4.09Å; Y296-Y455 HydrophobicContact CG-CE1 4.36Å; Y296-Y455 PolarHBondContact N-OH 3.04Å; Y296-Y455 WeakPolarHBondContact O-CE1 3.22Å; Y296-Y455 PolarHBondContact O-OH 3.07Å; I305-Y455 HydrophobicContact CD1-CD2 4.25Å; I305-Y455 HydrophobicContact CD1-CE2 3.73Å; P324-Y455 HydrophobicContact CB-CD1 3.94Å; P324-Y455 HydrophobicContact CB-CD2 4.33Å; P324-Y455 HydrophobicContact CB-CG 3.79Å; P324-Y455 HydrophobicContact CG-CD1 4.21Å; P324-Y455 HydrophobicContact CG-CD2 3.71Å; P324-Y455 HydrophobicContact CG-CE2 4.32Å; P324-Y455 HydrophobicContact CG-CG 3.65Å; Y450-Y455 HydrophobicContact CE1-CD1 4.4Å; Y450-Y455 PolarHBondContact O-N 2.83Å; L451-Y455 CarbonylContact O-C 3.4Å; Y455-E457 HydrophobicContact CD2-CB 4.39Å; Y455-E457 HydrophobicContact CE2-CB 4.29Å; Y455-E457 PolarHBondContact O-N 3.1Å; Y455-M458 HydrophobicContact CD1-CB 3.78Å; Y455-M458 HydrophobicContact CD1-CG 4.17Å; Y455-M458 HydrophobicContact CD1-SD 3.78Å; Y455-M458 HydrophobicContact CD2-CB 4.13Å; Y455-M458 HydrophobicContact CE1-CB 3.86Å; Y455-M458 HydrophobicContact CE1-CG 3.95Å; Y455-M458 HydrophobicContact CE1-SD 3.77Å; Y455-M458 HydrophobicContact CE2-CB 4.22Å; Y455-M458 HydrophobicContact CG-CB 3.91Å; Y455-M458 WeakPolarHBondContact O-CB 3.33Å; Y455-M458 PolarHBondContact O-N 3.39Å; Y455-M458 VanDerWaalsContact O-N 3.15Å; Y455-T519 HydrophobicContact CE2-CG2 4.44Å
456P95.1Very high96Very high73 Ų7340.4 Ų40.447%0.47421%0.205SC..THydrogen-bonded Turntrans-66.4-18-175.627.3-35.6000114.1L451 V454 M458L451-P456 WeakPolarHBondContact O-CA 3.23Å; V454-P456 VanDerWaalsContact C-CD 3.45Å; P456-M458 VanDerWaalsContact C-N 3.28Å; P456-M458 PolarHBondContact O-N 2.87Å
457E93.8Very high95.8Very high47 Ų4738.1 Ų38.122%0.2219%0.188CC..THydrogen-bonded Turntrans-75-18.3177.3-56.872.6-16400112.7Y455 R459 T519 T520 F521Y455-E457 HydrophobicContact CD2-CB 4.39Å; Y455-E457 HydrophobicContact CE2-CB 4.29Å; Y455-E457 PolarHBondContact O-N 3.1Å; E457-R459 PolarHBondContact O-N 2.76Å; E457-T519 CarbonylContact O-C 3.42Å; E457-T519 WeakPolarHBondContact O-CA 3Å; E457-T519 WeakPolarHBondContact O-CB 3.5Å; E457-T520 PolarHBondContact O-N 2.82Å; E457-F521 HydrophobicContact CB-CD2 4.41Å; E457-F521 HydrophobicContact CB-CE2 4.07Å; E457-F521 HydrophobicContact CG-CD2 4.21Å; E457-F521 HydrophobicContact CG-CE2 3.44Å; E457-F521 VanDerWaalsContact CG-CE2 3.44Å; E457-F521 HydrophobicContact CG-CZ 4.24Å
458M95.1Very high95.7Very high5 Ų538.1 Ų38.13%0.02519%0.188CC..BIsolated β-bridgetrans-67.8123.5-178.4-165.7177.4-165.800110.1Y296 W298 L451 Y455 P456Y296-M458 HydrophobicContact CD2-CE 3.74Å; Y296-M458 HydrophobicContact CE2-CE 3.59Å; Y296-M458 HydrophobicContact CE2-SD 3.99Å; W298-M458 HydrophobicContact CD2-CE 3.4Å; W298-M458 HydrophobicContact CD2-SD 4.45Å; W298-M458 HydrophobicContact CE3-CE 3.55Å; W298-M458 HydrophobicContact CE3-SD 4.47Å; W298-M458 HydrophobicContact CG-CE 3.91Å; W298-M458 HydrophobicContact CH2-CE 4.12Å; W298-M458 HydrophobicContact CH2-SD 4Å; W298-M458 HydrophobicContact CZ2-CE 3.95Å; W298-M458 HydrophobicContact CZ2-CG 3.99Å; W298-M458 HydrophobicContact CZ2-SD 3.92Å; W298-M458 HydrophobicContact CZ3-CE 3.94Å; W298-M458 HydrophobicContact CZ3-SD 4.27Å; L451-M458 HydrophobicContact CD2-CB 4.06Å; L451-M458 HydrophobicContact CD2-CG 4.4Å; L451-M458 HydrophobicContact CD2-SD 3.85Å; Y455-M458 HydrophobicContact CD1-CB 3.78Å; Y455-M458 HydrophobicContact CD1-CG 4.17Å; Y455-M458 HydrophobicContact CD1-SD 3.78Å; Y455-M458 HydrophobicContact CD2-CB 4.13Å; Y455-M458 HydrophobicContact CE1-CB 3.86Å; Y455-M458 HydrophobicContact CE1-CG 3.95Å; Y455-M458 HydrophobicContact CE1-SD 3.77Å; Y455-M458 HydrophobicContact CE2-CB 4.22Å; Y455-M458 HydrophobicContact CG-CB 3.91Å; Y455-M458 WeakPolarHBondContact O-CB 3.33Å; Y455-M458 PolarHBondContact O-N 3.39Å; Y455-M458 VanDerWaalsContact O-N 3.15Å; P456-M458 VanDerWaalsContact C-N 3.28Å; P456-M458 PolarHBondContact O-N 2.87Å
459R94.6Very high95.6Very high54 Ų5435 Ų3520%0.20417%0.174CC..  trans-73.2136-173.5-176.5176.9-72.9-99.4-2.3111.3W298 E457 Y461 S518 T519 T520 D524W298-R459 VanDerWaalsContact CE2-O 3.24Å; W298-R459 VanDerWaalsContact CZ2-O 3.29Å; W298-R459 WeakPolarHBondContact CZ2-O 3.5Å; W298-R459 PolarHBondContact NE1-O 2.93Å; E457-R459 PolarHBondContact O-N 2.76Å; R459-Y461 WeakPolarHBondContact CD-OH 3.41Å; R459-Y461 HydrophobicContact CG-CE1 3.98Å; R459-Y461 HydrophobicContact CG-CE2 4.42Å; R459-S518 PolarHBondContact N-O 2.76Å; R459-S518 VanDerWaalsContact N-O 3.07Å; R459-T519 PolarHBondContact NE-O 3.36Å; R459-T520 PolarHBondContact NH2-O 2.85Å; R459-D524 WeakPolarHBondContact CD-OD2 3.45Å; R459-D524 IonicContact CZ-OD2 3.08Å; R459-D524 IonicContact NE-OD2 3.65Å; R459-D524 IonicContact NH1-OD2 3.46Å; R459-D524 PolarHBondContact NH1-OD2 2.95Å
460I95.1Very high95.5Very high73 Ų7332.6 Ų32.637%0.37417%0.165SC..  trans-111.4143-175.8-58.7170.7000111.1W298 Y410 L451 N462W298-I460 HydrophobicContact CZ2-CG1 4.44Å; Y410-I460 HydrophobicContact CD1-CG2 4.3Å; Y410-I460 HydrophobicContact CE1-CD1 4.23Å; Y410-I460 HydrophobicContact CE1-CG2 3.88Å; L451-I460 HydrophobicContact CD1-CD1 3.9Å; L451-I460 HydrophobicContact CD1-CG1 4.24Å; I460-N462 HydrophobicContact CG2-CB 4.13Å; I460-N462 VanDerWaalsContact CG2-CG 3.43Å; I460-N462 WeakPolarHBondContact CG2-OD1 3.16Å
461Y94.2Very high95.4Very high3 Ų337.4 Ų37.41%0.01218%0.183CC..  trans-123.638.7-176-55.1-69.9000113.4W298 H413 R459 N463 T464 L516 G517 D524W298-Y461 AromaticContact CD1-CE2 3.7Å; W298-Y461 AromaticContact NE1-CD2 3.98Å; W298-Y461 AromaticContact NE1-CE2 3.73Å; H413-Y461 AromaticContact CD2-CD2 3.74Å; H413-Y461 PolarHBondContact NE2-N 3.48Å; R459-Y461 WeakPolarHBondContact CD-OH 3.41Å; R459-Y461 HydrophobicContact CG-CE1 3.98Å; R459-Y461 HydrophobicContact CG-CE2 4.42Å; Y461-N463 PolarHBondContact O-N 3.2Å; Y461-N463 VanDerWaalsContact O-N 3.13Å; Y461-T464 WeakPolarHBondContact O-CB 3.07Å; Y461-T464 PolarHBondContact O-N 2.89Å; Y461-T464 PolarHBondContact O-OG1 3.26Å; Y461-L516 HydrophobicContact CD2-CD1 4.12Å; Y461-L516 HydrophobicContact CD2-CD2 4.1Å; Y461-L516 HydrophobicContact CE2-CB 3.8Å; Y461-L516 HydrophobicContact CE2-CD1 4.07Å; Y461-L516 HydrophobicContact CE2-CD2 3.94Å; Y461-L516 HydrophobicContact CE2-CG 4.15Å; Y461-G517 VanDerWaalsContact OH-CA 3.25Å; Y461-G517 WeakPolarHBondContact OH-CA 2.81Å; Y461-G517 PolarHBondContact OH-N 3.26Å; Y461-G517 PolarHBondContact OH-O 3.16Å; Y461-D524 PolarHBondContact OH-OD1 3.21Å; Y461-D524 VanDerWaalsContact OH-OD1 3.13Å
462N92.4Very high95.3Very high96 Ų9637.3 Ų37.351%0.51318%0.182SC..THydrogen-bonded Turntrans-62-19.2-177.2-77.2-9000114.6H413 I460 T464H413-N462 PolarHBondContact CE1-OD1 2.84Å; H413-N462 VanDerWaalsContact CE1-OD1 3.25Å; I460-N462 HydrophobicContact CG2-CB 4.13Å; I460-N462 VanDerWaalsContact CG2-CG 3.43Å; I460-N462 WeakPolarHBondContact CG2-OD1 3.16Å; N462-T464 PolarHBondContact O-N 2.8Å
463N93.1Very high95Very high46 Ų4635.7 Ų35.725%0.24618%0.183CC..THydrogen-bonded Turntrans-80.44.817867.4-23.3000113.8Y461 R504 S506 T507 E508Y461-N463 PolarHBondContact O-N 3.2Å; Y461-N463 VanDerWaalsContact O-N 3.13Å; N463-R504 PolarHBondContact OD1-NH1 3.31Å; N463-S506 CarbonylContact O-C 3.58Å; N463-S506 WeakPolarHBondContact O-CA 3.27Å; N463-T507 WeakPolarHBondContact CB-OG1 3.37Å; N463-T507 PolarHBondContact O-N 2.95Å; N463-T507 PolarHBondContact O-OG1 3.29Å; N463-E508 PolarHBondContact ND2-OE2 3.46Å
464T94.8Very high94.8Very high9 Ų937.5 Ų37.56%0.05519%0.19CC..EExtended strand (participates in β ladder)trans-78.5131.2-176.8-53.60000112.5M416 Y461 N462 R504 I600M416-T464 HydrophobicContact SD-CG2 3.63Å; Y461-T464 WeakPolarHBondContact O-CB 3.07Å; Y461-T464 PolarHBondContact O-N 2.89Å; Y461-T464 PolarHBondContact O-OG1 3.26Å; N462-T464 PolarHBondContact O-N 2.8Å; T464-R504 HydrophobicContact CG2-CG 3.41Å; T464-R504 VanDerWaalsContact CG2-CG 3.41Å; T464-R504 WeakPolarHBondContact OG1-CD 3.31Å; T464-R504 WeakPolarHBondContact OG1-CG 3.29Å; T464-R504 PolarHBondContact OG1-NH1 3.04Å; T464-I600 HydrophobicContact CG2-CD1 3.57Å; T464-I600 HydrophobicContact CG2-CG1 4.37Å
465I93.9Very high94.5Very high53 Ų5337.2 Ų37.227%0.27219%0.188SC..EExtended strand (participates in β ladder)trans-96-52.3174.8-60.8173.8000110.5Y505 T507 W599 I600I465-Y505 HydrophobicContact CD1-CD1 4.42Å; I465-Y505 HydrophobicContact CD1-CE1 4.41Å; I465-Y505 PolarHBondContact N-O 3.21Å; I465-T507 HydrophobicContact CD1-CG2 3.86Å; I465-T507 HydrophobicContact CG1-CG2 3.77Å; I465-W599 HydrophobicContact CG2-CE3 4.35Å; I465-W599 HydrophobicContact CG2-CZ3 4.25Å; I465-I600 PolarHBondContact O-N 3.03Å; I465-I600 VanDerWaalsContact O-N 3.07Å
466T94.7Very high94Very high1 Ų141.4 Ų41.41%0.00622%0.218CC..EExtended strand (participates in β ladder)trans-143.1150.6-173.5179.60000109.9Y505 F555 Q557 I596 N598T466-Y505 HydrophobicContact CG2-CD1 4.2Å; T466-Y505 HydrophobicContact CG2-CG 4.37Å; T466-Y505 PolarHBondContact O-N 2.99Å; T466-F555 HydrophobicContact CG2-CE1 4.12Å; T466-Q557 PolarHBondContact OG1-NE2 3.02Å; T466-I596 HydrophobicContact CG2-CB 4.05Å; T466-I596 HydrophobicContact CG2-CD1 3.89Å; T466-I596 HydrophobicContact CG2-CG1 4.48Å; T466-I596 HydrophobicContact CG2-CG2 4.13Å; T466-I596 WeakPolarHBondContact OG1-CB 3.47Å; T466-I596 VanDerWaalsContact OG1-CG2 3.27Å; T466-I596 WeakPolarHBondContact OG1-CG2 3.43Å; T466-N598 VanDerWaalsContact CA-O 3.3Å; T466-N598 WeakPolarHBondContact CA-O 3.49Å; T466-N598 WeakPolarHBondContact CB-O 3.27Å; T466-N598 PolarHBondContact OG1-O 3.44Å
467Y96Very high93.8Very high1 Ų140.1 Ų40.10%0.00422%0.218CC..EExtended strand (participates in β ladder)trans-151.8170-174.367.4-84.1000112.5M416 I420 L502 A503 I596 N598 I600M416-Y467 HydrophobicContact CB-CD2 4.14Å; M416-Y467 HydrophobicContact CB-CE2 4.32Å; M416-Y467 HydrophobicContact CB-CG 4.4Å; M416-Y467 HydrophobicContact CG-CD1 3.65Å; M416-Y467 HydrophobicContact CG-CD2 3.74Å; M416-Y467 HydrophobicContact CG-CE1 3.89Å; M416-Y467 HydrophobicContact CG-CE2 3.97Å; M416-Y467 HydrophobicContact CG-CG 3.57Å; M416-Y467 HydrophobicContact SD-CD1 4.33Å; M416-Y467 HydrophobicContact SD-CG 4.34Å; I420-Y467 WeakPolarHBondContact O-CE2 3.36Å; I420-Y467 PolarHBondContact O-OH 3.23Å; Y467-L502 HydrophobicContact CD2-CD1 4.3Å; Y467-A503 CarbonylContact C-O 3.58Å; Y467-A503 WeakPolarHBondContact CA-O 3.43Å; Y467-A503 WeakPolarHBondContact CB-O 3.3Å; Y467-I596 WeakPolarHBondContact O-CG2 3.33Å; Y467-N598 HydrophobicContact CD1-CB 4.03Å; Y467-N598 HydrophobicContact CD2-CB 3.86Å; Y467-N598 HydrophobicContact CE1-CB 3.69Å; Y467-N598 HydrophobicContact CE2-CB 3.51Å; Y467-N598 WeakPolarHBondContact CE2-ND2 3.11Å; Y467-N598 HydrophobicContact CG-CB 4.11Å; Y467-N598 VanDerWaalsContact CZ-CB 3.43Å; Y467-N598 PolarHBondContact N-O 3.17Å; Y467-N598 WeakPolarHBondContact O-CA 3.49Å; Y467-N598 VanDerWaalsContact O-CB 3.25Å; Y467-N598 WeakPolarHBondContact O-CB 3.34Å; Y467-N598 PolarHBondContact O-N 2.83Å; Y467-I600 HydrophobicContact CD1-CD1 4.32Å; Y467-I600 HydrophobicContact CD1-CG1 3.8Å; Y467-I600 HydrophobicContact CE1-CD1 4.48Å; Y467-I600 HydrophobicContact CE1-CG1 3.68Å
468G95.8Very high93.8Very high0 Ų040.7 Ų40.70%022%0.219CC..EExtended strand (participates in β ladder)trans102.7-158176.700000112.4N419 V470 A503N419-G468 WeakPolarHBondContact OD1-CA 3.42Å; G468-V470 PolarHBondContact O-N 2.81Å; G468-A503 PolarHBondContact N-O 3.29Å; G468-A503 WeakPolarHBondContact O-CB 3.15Å; G468-A503 PolarHBondContact O-N 2.85Å
469E95.8Very high93.9Very high8 Ų840.5 Ų40.54%0.03722%0.217CC..EExtended strand (participates in β ladder)trans-60.9136.1-178-69.1165.5-136.200111.8R471 G497 I596 R597E469-R471 IonicContact OE2-CZ 3.62Å; E469-R471 VanDerWaalsContact OE2-CZ 3.26Å; E469-R471 IonicContact OE2-NE 3.63Å; E469-R471 PolarHBondContact OE2-NE 2.95Å; E469-R471 IonicContact OE2-NH2 2.64Å; E469-R471 PolarHBondContact OE2-NH2 2.65Å; E469-G497 WeakPolarHBondContact OE1-CA 3.32Å; E469-I596 WeakPolarHBondContact O-CA 2.98Å; E469-R597 HydrophobicContact CB-CB 4.4Å; E469-R597 PolarHBondContact O-N 2.69Å; E469-R597 IonicContact OE1-CZ 3.59Å; E469-R597 IonicContact OE1-NH1 3.44Å; E469-R597 PolarHBondContact OE1-NH1 3.23Å
470V96.6Very high94Very high0 Ų037.9 Ų37.90%021%0.208CC..EExtended strand (participates in β ladder)trans-106.1113.9174.9-165.20000109.2G468 C479 L480 A503 I561 W594 M595 I596G468-V470 PolarHBondContact O-N 2.81Å; V470-C479 WeakPolarHBondContact O-CA 3.32Å; V470-L480 HydrophobicContact CB-CB 3.76Å; V470-L480 HydrophobicContact CB-CD2 4.12Å; V470-L480 HydrophobicContact CG1-CB 4.46Å; V470-L480 HydrophobicContact CG1-CD2 4.28Å; V470-L480 HydrophobicContact CG2-CB 4.29Å; V470-L480 HydrophobicContact CG2-CD2 4.14Å; V470-L480 PolarHBondContact O-N 2.83Å; V470-A503 HydrophobicContact CG2-CB 3.17Å; V470-I561 HydrophobicContact CG1-CD1 4.16Å; V470-W594 HydrophobicContact CG1-CE3 3.76Å; V470-W594 HydrophobicContact CG1-CZ3 4.33Å; V470-M595 CarbonylContact C-O 3.49Å; V470-M595 WeakPolarHBondContact CA-O 3.07Å; V470-I596 HydrophobicContact CB-CG1 4.46Å; V470-I596 HydrophobicContact CG1-CG1 4.02Å; V470-I596 HydrophobicContact CG2-CD1 4.4Å; V470-I596 HydrophobicContact CG2-CG1 4.02Å
471R96.1Very high94Very high101 Ų10134.7 Ų34.738%0.38119%0.191SC..EExtended strand (participates in β ladder)trans-114.4140.3-174-64-175.5-179.1-163.50.8111.3E469 W594 M595E469-R471 IonicContact OE2-CZ 3.62Å; E469-R471 VanDerWaalsContact OE2-CZ 3.26Å; E469-R471 IonicContact OE2-NE 3.63Å; E469-R471 PolarHBondContact OE2-NE 2.95Å; E469-R471 IonicContact OE2-NH2 2.64Å; E469-R471 PolarHBondContact OE2-NH2 2.65Å; R471-W594 CarbonylContact O-C 3.43Å; R471-W594 VanDerWaalsContact O-CA 3.3Å; R471-W594 WeakPolarHBondContact O-CA 3.18Å; R471-M595 PolarHBondContact N-O 3.35Å; R471-M595 PolarHBondContact O-N 3.22Å
472N95.3Very high94Very high3 Ų335.2 Ų35.22%0.01619%0.194CC..EExtended strand (participates in β ladder)trans-100.3140.4175.4-172-81.6000111K474 A475 S476 V572 Q592 K593 W594N472-K474 PolarHBondContact O-N 3.3Å; N472-K474 WeakPolarHBondContact OD1-CA 3.17Å; N472-K474 WeakPolarHBondContact OD1-CB 3.48Å; N472-K474 PolarHBondContact OD1-N 2.86Å; N472-A475 CarbonylContact O-C 3.55Å; N472-A475 VanDerWaalsContact O-C 3.26Å; N472-A475 PolarHBondContact O-N 3.26Å; N472-S476 PolarHBondContact O-N 2.66Å; N472-V572 HydrophobicContact CB-CG2 3.88Å; N472-Q592 PolarHBondContact ND2-OE1 2.77Å; N472-Q592 PolarHBondContact OD1-OE1 3.47Å; N472-K593 WeakPolarHBondContact CA-O 3.23Å; N472-W594 HydrophobicContact CB-CD2 4.03Å; N472-W594 HydrophobicContact CB-CE3 3.68Å; N472-W594 HydrophobicContact CB-CH2 3.76Å; N472-W594 HydrophobicContact CB-CZ2 4.05Å; N472-W594 HydrophobicContact CB-CZ3 3.57Å; N472-W594 WeakPolarHBondContact ND2-CZ2 3.22Å; N472-W594 PolarHBondContact ND2-NE1 2.89Å
473S92.4Very high93.9Very high75 Ų7531.6 Ų31.652%0.52418%0.179SC..THydrogen-bonded Turntrans-61.7-26179.262.10000114.8K593S473-K593 PolarHBondContact N-O 3.14Å; S473-K593 PolarHBondContact OG-N 2.9Å
474K91.8Very high93.7Very high129 Ų12932.3 Ų32.356%0.56119%0.188SC*.THydrogen-bonded Turntrans-86.2-11.9176.4-65.4-169.7-176162.50113.5N472 S590 Q592N472-K474 PolarHBondContact O-N 3.3Å; N472-K474 WeakPolarHBondContact OD1-CA 3.17Å; N472-K474 WeakPolarHBondContact OD1-CB 3.48Å; N472-K474 PolarHBondContact OD1-N 2.86Å; K474-S590 PolarHBondContact NZ-OG 3.34Å; K474-Q592 HydrophobicContact CD-CG 3.76Å; K474-Q592 VanDerWaalsContact CE-CG 3.5Å; K474-Q592 HydrophobicContact CG-CG 4.15Å
475A90.6Very high93.1Very high4 Ų437.9 Ų37.93%0.03321%0.213CC..EExtended strand (participates in β ladder)trans-142.160.4-176.100000110.3N472 G477 Y478 L492 V572 L582N472-A475 CarbonylContact O-C 3.55Å; N472-A475 VanDerWaalsContact O-C 3.26Å; N472-A475 PolarHBondContact O-N 3.26Å; A475-G477 PolarHBondContact O-N 3.2Å; A475-Y478 HydrophobicContact CB-CD2 4.35Å; A475-Y478 PolarHBondContact O-N 3.5Å; A475-L492 HydrophobicContact CB-CD2 4.23Å; A475-V572 HydrophobicContact CB-CG1 4.12Å; A475-L582 HydrophobicContact CB-CD1 3.84Å
476S86.4Confident92.5Very high89 Ų8942.2 Ų42.262%0.62224%0.237SC*.EExtended strand (participates in β ladder)trans-63-24.5-170.554.70000115.2N472 Y478N472-S476 PolarHBondContact O-N 2.66Å; S476-Y478 VanDerWaalsContact C-N 3.32Å
477G91.8Very high92.1Very high46 Ų4646.9 Ų46.947%0.47426%0.262SS..EExtended strand (participates in β ladder)trans-84.8-0.9174.300000114.6A475 C495A475-G477 PolarHBondContact O-N 3.2Å; G477-C495 PolarHBondContact O-N 2.9Å; G477-C495 VanDerWaalsContact O-N 3.1Å
478Y94.4Very high91.7Very high59 Ų5950.2 Ų50.223%0.23128%0.28CS..EExtended strand (participates in β ladder)trans-123.3143.5-177.8-62.7-99.6000111.5A475 S476 L492 Y493 P494 F580 L582A475-Y478 HydrophobicContact CB-CD2 4.35Å; A475-Y478 PolarHBondContact O-N 3.5Å; S476-Y478 VanDerWaalsContact C-N 3.32Å; Y478-L492 HydrophobicContact CG-CD2 4.32Å; Y478-L492 HydrophobicContact CG-CG 4.4Å; Y478-Y493 CarbonylContact C-O 3.26Å; Y478-Y493 WeakPolarHBondContact CA-O 2.75Å; Y478-P494 HydrophobicContact CD1-CG 4.18Å; Y478-P494 HydrophobicContact CE1-CG 3.84Å; Y478-F580 HydrophobicContact CE1-CB 3.6Å; Y478-F580 HydrophobicContact CE1-CD1 4.38Å; Y478-F580 HydrophobicContact CE1-CD2 4.1Å; Y478-F580 AromaticContact CE1-CG 3.77Å; Y478-F580 HydrophobicContact CE1-CG 3.77Å; Y478-L582 HydrophobicContact CD2-CD1 3.56Å; Y478-L582 HydrophobicContact CE2-CD1 3.61Å; Y478-L582 HydrophobicContact CG-CD1 4.06Å
479C96.1Very high91.5Very high0 Ų055.7 Ų55.70%030%0.304CS..EExtended strand (participates in β ladder)trans-120.1150.1-175.1-76.60000109.9V470 D481 Y493 C495 Q501V470-C479 WeakPolarHBondContact O-CA 3.32Å; C479-D481 PolarHBondContact O-N 3.17Å; C479-Y493 PolarHBondContact N-O 2.93Å; C479-Y493 PolarHBondContact O-N 2.94Å; C479-C495 HydrophobicContact CB-CB 4.04Å; C479-C495 WeakPolarHBondContact CB-SG 3.47Å; C479-C495 PolarHBondContact N-SG 3.39Å; C479-C495 WeakPolarHBondContact SG-CB 3.49Å; C479-C495 CovalentContact SG-SG 2.05Å; C479-C495 PolarHBondContact SG-SG 3.28Å; C479-Q501 HydrophobicContact CB-CG 4.4Å
480L96Very high91.4Very high0 Ų055.5 Ų55.50%030%0.303CS..EExtended strand (participates in β ladder)trans-61.7130.6166-171.559.6000108.7V470 A490 L511 L513 L570 L584V470-L480 HydrophobicContact CB-CB 3.76Å; V470-L480 HydrophobicContact CB-CD2 4.12Å; V470-L480 HydrophobicContact CG1-CB 4.46Å; V470-L480 HydrophobicContact CG1-CD2 4.28Å; V470-L480 HydrophobicContact CG2-CB 4.29Å; V470-L480 HydrophobicContact CG2-CD2 4.14Å; V470-L480 PolarHBondContact O-N 2.83Å; L480-A490 HydrophobicContact CD1-CB 4.16Å; L480-L511 HydrophobicContact CD2-CD2 4.15Å; L480-L513 HydrophobicContact CB-CD2 4.38Å; L480-L513 HydrophobicContact CD1-CD1 4.26Å; L480-L513 HydrophobicContact CD2-CD1 3.69Å; L480-L513 HydrophobicContact CD2-CD2 4.13Å; L480-L513 HydrophobicContact CD2-CG 4.27Å; L480-L513 HydrophobicContact CG-CD1 3.69Å; L480-L513 HydrophobicContact CG-CD2 3.81Å; L480-L513 HydrophobicContact CG-CG 4.3Å; L480-L570 HydrophobicContact CD1-CD2 4.4Å; L480-L570 HydrophobicContact CD2-CD2 4.15Å; L480-L584 HydrophobicContact CD1-CD1 4.03Å; L480-L584 HydrophobicContact CD1-CD2 3.29Å; L480-L584 HydrophobicContact CD1-CG 4.31Å
481D95.3Very high91.3Very high5 Ų558.6 Ų58.63%0.02732%0.319CS..EExtended strand (participates in β ladder)trans-135.4143.3-173.2-163.9-58.9000109.8C479 G483 A490 I491 H496 S500 Q501C479-D481 PolarHBondContact O-N 3.17Å; D481-G483 PolarHBondContact O-N 2.85Å; D481-G483 PolarHBondContact OD1-N 2.71Å; D481-A490 WeakPolarHBondContact O-CA 3.46Å; D481-I491 HydrophobicContact CB-CG1 3.86Å; D481-I491 PolarHBondContact N-O 2.9Å; D481-I491 PolarHBondContact O-N 2.77Å; D481-H496 IonicContact OD2-CE1 3.63Å; D481-H496 IonicContact OD2-NE2 3.53Å; D481-H496 PolarHBondContact OD2-NE2 2.82Å; D481-S500 WeakPolarHBondContact OD1-CB 3.5Å; D481-S500 PolarHBondContact OD1-OG 2.93Å; D481-S500 PolarHBondContact OD2-OG 3.13Å; D481-Q501 HydrophobicContact CB-CG 4.05Å; D481-Q501 WeakPolarHBondContact OD2-CG 3.29Å; D481-Q501 PolarHBondContact OD2-NE2 2.96Å
482Q94.4Very high91.1Very high15 Ų1554.4 Ų54.47%0.0730%0.304CS..  trans-60.3-28.6174.3178.1178.6-10.700112.6K489 S500 L513 L539Q482-K489 VanDerWaalsContact O-O 3.14Å; Q482-S500 WeakPolarHBondContact CB-O 3.19Å; Q482-S500 PolarHBondContact N-O 3.31Å; Q482-L513 HydrophobicContact CB-CB 4.46Å; Q482-L539 HydrophobicContact CB-CD1 4.33Å; Q482-L539 HydrophobicContact CG-CD1 3.87Å; Q482-L539 WeakPolarHBondContact O-CD1 3.36Å
483G91.8Very high91.1Very high20 Ų2059 Ų5921%0.20632%0.322CS..  trans69.1-158.1-170.800000112.1D481D481-G483 PolarHBondContact O-N 2.85Å; D481-G483 PolarHBondContact OD1-N 2.71Å
484S88.8Confident91.2Very high61 Ų6157.5 Ų57.543%0.42731%0.311SS..SBendtrans-61138.2173.3-176.40000110.4D486 D487S484-D486 PolarHBondContact O-N 2.7Å; S484-D486 VanDerWaalsContact O-N 3.16Å; S484-D487 WeakPolarHBondContact CB-OD2 3.42Å; S484-D487 PolarHBondContact O-N 3.02Å
485E80.3Confident91.4Very high125 Ų12553.2 Ų53.258%0.58430%0.296SS*.THydrogen-bonded Turntrans-59.7-29.2-178.8-64.9-163.4150.700113K526E485-K526 PolarHBondContact O-NZ 3.35Å
486D83.2Confident91.5Very high145 Ų14556.1 Ų56.178%0.77531%0.309SS*.THydrogen-bonded Turntrans-84.3-19.2-176.6-64.3-39.3000114.1S484 D488S484-D486 PolarHBondContact O-N 2.7Å; S484-D486 VanDerWaalsContact O-N 3.16Å; D486-D488 VanDerWaalsContact C-N 3.32Å; D486-D488 PolarHBondContact O-N 3.02Å
487D84.3Confident91.7Very high98 Ų9852.9 Ų52.952%0.52429%0.29SS..SBendtrans-79.7-14.8-170.3-82-22.6000113.6S484 K489S484-D487 WeakPolarHBondContact CB-OD2 3.42Å; S484-D487 PolarHBondContact O-N 3.02Å; D487-K489 WeakPolarHBondContact O-CG 3.41Å; D487-K489 PolarHBondContact O-N 2.89Å
488D89.3Confident91.6Very high72 Ų7256.6 Ų56.639%0.38530%0.296SS..  trans48.432-177.2-81.9-20.3000113D486 K526 S538 L539D486-D488 VanDerWaalsContact C-N 3.32Å; D486-D488 PolarHBondContact O-N 3.02Å; D488-K526 WeakPolarHBondContact OD1-CE 3.33Å; D488-K526 IonicContact OD1-NZ 3.55Å; D488-K526 PolarHBondContact OD1-NZ 3.16Å; D488-S538 CarbonylContact O-C 3.58Å; D488-S538 VanDerWaalsContact O-CA 3.31Å; D488-S538 WeakPolarHBondContact O-CA 3.46Å; D488-S538 VanDerWaalsContact O-CB 3.29Å; D488-S538 WeakPolarHBondContact O-CB 3.34Å; D488-L539 WeakPolarHBondContact CB-O 3.36Å; D488-L539 PolarHBondContact O-N 3.07Å
489K90.9Very high91.4Very high115 Ų11557.1 Ų57.150%0.531%0.309SS..BIsolated β-bridgetrans-136.3123.9-176.9-72.8169.5-165.3167.80110.4Q482 D487 T536Q482-K489 VanDerWaalsContact O-O 3.14Å; D487-K489 WeakPolarHBondContact O-CG 3.41Å; D487-K489 PolarHBondContact O-N 2.89Å; K489-T536 HydrophobicContact CD-CG2 4.34Å; K489-T536 HydrophobicContact CG-CG2 4.3Å
490A93.9Very high91.3Very high3 Ų358.4 Ų58.43%0.02532%0.318CS..  trans-70.5141.2170.700000109.8L480 D481 L513 L528 P537 L539 L584L480-A490 HydrophobicContact CD1-CB 4.16Å; D481-A490 WeakPolarHBondContact O-CA 3.46Å; A490-L513 HydrophobicContact CB-CD1 4.06Å; A490-L528 HydrophobicContact CB-CD1 3.46Å; A490-L528 VanDerWaalsContact CB-CD1 3.46Å; A490-P537 HydrophobicContact CB-CG 4.37Å; A490-L539 HydrophobicContact CB-CD1 4.17Å; A490-L539 HydrophobicContact CB-CD2 4.25Å; A490-L539 HydrophobicContact CB-CG 4.08Å; A490-L584 HydrophobicContact CB-CD2 3.95Å
491I93.5Very high91.3Very high65 Ų6558.4 Ų58.433%0.33332%0.318SS..EExtended strand (participates in β ladder)trans-122.7173.5179.769.7175.5000110.5D481 Y493D481-I491 HydrophobicContact CB-CG1 3.86Å; D481-I491 PolarHBondContact N-O 2.9Å; D481-I491 PolarHBondContact O-N 2.77Å; I491-Y493 HydrophobicContact CD1-CD2 4.27Å
492L93.6Very high91.3Very high14 Ų1458.5 Ų58.57%0.07332%0.318CS..EExtended strand (participates in β ladder)trans-109125.9167.6-168.776000107.7A475 Y478 V572 L582 L584A475-L492 HydrophobicContact CB-CD2 4.23Å; Y478-L492 HydrophobicContact CG-CD2 4.32Å; Y478-L492 HydrophobicContact CG-CG 4.4Å; L492-V572 HydrophobicContact CD1-CG2 4.27Å; L492-V572 HydrophobicContact CD2-CG1 3.7Å; L492-V572 HydrophobicContact CD2-CG2 3.99Å; L492-L582 HydrophobicContact CD2-CB 3.82Å; L492-L582 HydrophobicContact CD2-CD1 4.17Å; L492-L584 HydrophobicContact CB-CB 4.21Å
493Y94.1Very high91.4Very high99 Ų9957.8 Ų57.839%0.38832%0.315SS..EExtended strand (participates in β ladder)trans-138.3153.3-174.6-158.9-104.3000111Y478 C479 I491 C495 H496 F580Y478-Y493 CarbonylContact C-O 3.26Å; Y478-Y493 WeakPolarHBondContact CA-O 2.75Å; C479-Y493 PolarHBondContact N-O 2.93Å; C479-Y493 PolarHBondContact O-N 2.94Å; I491-Y493 HydrophobicContact CD1-CD2 4.27Å; Y493-C495 PolarHBondContact O-N 3.39Å; Y493-H496 AromaticContact CD1-CD2 3.74Å; Y493-H496 AromaticContact CD1-NE2 3.9Å; Y493-F580 AromaticContact CD2-CE2 3.69Å; Y493-F580 HydrophobicContact CD2-CE2 3.69Å; Y493-F580 HydrophobicContact CD2-CZ 4.29Å; Y493-F580 AromaticContact CE2-CE2 3.62Å; Y493-F580 HydrophobicContact CE2-CE2 3.62Å; Y493-F580 AromaticContact CE2-CZ 3.78Å; Y493-F580 HydrophobicContact CE2-CZ 3.78Å
494P95.2Very high91.6Very high44 Ų4457.5 Ų57.529%0.28631%0.307SS..EExtended strand (participates in β ladder)trans-49.8133.1174-30.836.7000112.1Y478 H496 Q501 F580Y478-P494 HydrophobicContact CD1-CG 4.18Å; Y478-P494 HydrophobicContact CE1-CG 3.84Å; P494-H496 PolarHBondContact O-CD2 3.29Å; P494-H496 VanDerWaalsContact O-CD2 3.32Å; P494-H496 PolarHBondContact O-N 3.15Å; P494-Q501 PolarHBondContact O-NE2 2.9Å; P494-F580 HydrophobicContact CG-CE1 4.38Å; P494-F580 HydrophobicContact CG-CE2 4.45Å; P494-F580 HydrophobicContact CG-CZ 4.23Å
495C95.2Very high92Very high38 Ų3855.5 Ų55.526%0.25729%0.291SS..  trans-63.8119.8-177.7-65.70000110.8G477 C479 Y493G477-C495 PolarHBondContact O-N 2.9Å; G477-C495 VanDerWaalsContact O-N 3.1Å; C479-C495 HydrophobicContact CB-CB 4.04Å; C479-C495 WeakPolarHBondContact CB-SG 3.47Å; C479-C495 PolarHBondContact N-SG 3.39Å; C479-C495 WeakPolarHBondContact SG-CB 3.49Å; C479-C495 CovalentContact SG-SG 2.05Å; C479-C495 PolarHBondContact SG-SG 3.28Å; Y493-C495 PolarHBondContact O-N 3.39Å
496H93.5Very high92.7Very high66 Ų6649.6 Ų49.631%0.30626%0.263SS..  trans-127.6-10.8175.558.572000112.9D481 Y493 P494 M498 S500 Q501D481-H496 IonicContact OD2-CE1 3.63Å; D481-H496 IonicContact OD2-NE2 3.53Å; D481-H496 PolarHBondContact OD2-NE2 2.82Å; Y493-H496 AromaticContact CD1-CD2 3.74Å; Y493-H496 AromaticContact CD1-NE2 3.9Å; P494-H496 PolarHBondContact O-CD2 3.29Å; P494-H496 VanDerWaalsContact O-CD2 3.32Å; P494-H496 PolarHBondContact O-N 3.15Å; H496-M498 HydrophobicContact CB-CE 4.26Å; H496-M498 VanDerWaalsContact ND1-CB 3.27Å; H496-M498 WeakPolarHBondContact ND1-CB 3.36Å; H496-M498 VanDerWaalsContact ND1-CE 3.31Å; H496-M498 WeakPolarHBondContact ND1-CE 3.38Å; H496-M498 WeakPolarHBondContact ND1-CG 3.28Å; H496-M498 PolarHBondContact ND1-N 3.02Å; H496-M498 VanDerWaalsContact ND1-N 3.13Å; H496-M498 PolarHBondContact O-N 3.48Å; H496-S500 PolarHBondContact CE1-OG 2.91Å; H496-S500 VanDerWaalsContact CE1-OG 3.23Å; H496-Q501 PolarHBondContact CD2-NE2 2.78Å; H496-Q501 PolarHBondContact NE2-NE2 3.49Å
497G90.1Very high93.2Very high21 Ų2146.8 Ų46.822%0.21625%0.251CS..  trans70.311.9171.300000115.6N419 E469N419-G497 PolarHBondContact ND2-O 3.3Å; E469-G497 WeakPolarHBondContact OE1-CA 3.32Å
498M90.4Very high93.7Very high123 Ų12346.3 Ų46.361%0.60625%0.246SC*.SBendtrans-80.2176.4175.2-56.1-174-76.800110.8H496 S500 Q501 L502H496-M498 HydrophobicContact CB-CE 4.26Å; H496-M498 VanDerWaalsContact ND1-CB 3.27Å; H496-M498 WeakPolarHBondContact ND1-CB 3.36Å; H496-M498 VanDerWaalsContact ND1-CE 3.31Å; H496-M498 WeakPolarHBondContact ND1-CE 3.38Å; H496-M498 WeakPolarHBondContact ND1-CG 3.28Å; H496-M498 PolarHBondContact ND1-N 3.02Å; H496-M498 VanDerWaalsContact ND1-N 3.13Å; H496-M498 PolarHBondContact O-N 3.48Å; M498-S500 VanDerWaalsContact C-N 3.28Å; M498-S500 PolarHBondContact O-N 2.79Å; M498-S500 VanDerWaalsContact O-N 3.14Å; M498-Q501 PolarHBondContact O-N 3.36Å; M498-L502 PolarHBondContact O-N 2.88Å
499S90.1Very high94Very high71 Ų7142.9 Ų42.950%0.49723%0.228SC..G310 helixtrans-55.2-33.3-17250.90000115.3Q501 L502 G514S499-Q501 PolarHBondContact O-N 3.42Å; S499-L502 WeakPolarHBondContact O-CB 3.42Å; S499-L502 PolarHBondContact O-N 2.85Å; S499-L502 VanDerWaalsContact O-N 3.16Å; S499-G514 CarbonylContact O-C 3.51Å; S499-G514 VanDerWaalsContact O-C 3.24Å; S499-G514 WeakPolarHBondContact O-CA 3.48Å
500S94.1Very high94.3Very high27 Ų2738.4 Ų38.419%0.18921%0.209CC..G310 helixtrans-65.3-22.1177.164.90000113.6D481 Q482 H496 M498D481-S500 WeakPolarHBondContact OD1-CB 3.5Å; D481-S500 PolarHBondContact OD1-OG 2.93Å; D481-S500 PolarHBondContact OD2-OG 3.13Å; Q482-S500 WeakPolarHBondContact CB-O 3.19Å; Q482-S500 PolarHBondContact N-O 3.31Å; H496-S500 PolarHBondContact CE1-OG 2.91Å; H496-S500 VanDerWaalsContact CE1-OG 3.23Å; M498-S500 VanDerWaalsContact C-N 3.28Å; M498-S500 PolarHBondContact O-N 2.79Å; M498-S500 VanDerWaalsContact O-N 3.14Å
501Q95.4Very high94.5Very high0 Ų038.3 Ų38.30%021%0.208CC..G310 helixtrans-101.24.9177.8-64.5-173.5-8.300113.1C479 D481 P494 H496 M498 S499 A503C479-Q501 HydrophobicContact CB-CG 4.4Å; D481-Q501 HydrophobicContact CB-CG 4.05Å; D481-Q501 WeakPolarHBondContact OD2-CG 3.29Å; D481-Q501 PolarHBondContact OD2-NE2 2.96Å; P494-Q501 PolarHBondContact O-NE2 2.9Å; H496-Q501 PolarHBondContact CD2-NE2 2.78Å; H496-Q501 PolarHBondContact NE2-NE2 3.49Å; M498-Q501 PolarHBondContact O-N 3.36Å; S499-Q501 PolarHBondContact O-N 3.42Å; Q501-A503 PolarHBondContact O-N 3Å
502L95.6Very high94.6Very high7 Ų735.6 Ų35.64%0.03719%0.194CC..  trans-74.4111.8171.6-179.760.4000108.2M416 N419 Y467 M498 S499 G514 L516M416-L502 WeakPolarHBondContact O-CD1 3.25Å; M416-L502 WeakPolarHBondContact O-CD2 3.33Å; N419-L502 HydrophobicContact CB-CD1 4.28Å; Y467-L502 HydrophobicContact CD2-CD1 4.3Å; M498-L502 PolarHBondContact O-N 2.88Å; S499-L502 WeakPolarHBondContact O-CB 3.42Å; S499-L502 PolarHBondContact O-N 2.85Å; S499-L502 VanDerWaalsContact O-N 3.16Å; L502-G514 PolarHBondContact O-N 2.89Å; L502-L516 HydrophobicContact CD2-CD2 4.46Å; L502-L516 HydrophobicContact CD2-CG 4.19Å
503A96.1Very high94.6Very high0 Ų034.9 Ų34.90%019%0.19CC..EExtended strand (participates in β ladder)trans-105.5156168.500000111.6Y467 G468 V470 Q501 L511 Q512 L513Y467-A503 CarbonylContact C-O 3.58Å; Y467-A503 WeakPolarHBondContact CA-O 3.43Å; Y467-A503 WeakPolarHBondContact CB-O 3.3Å; G468-A503 PolarHBondContact N-O 3.29Å; G468-A503 WeakPolarHBondContact O-CB 3.15Å; G468-A503 PolarHBondContact O-N 2.85Å; V470-A503 HydrophobicContact CG2-CB 3.17Å; Q501-A503 PolarHBondContact O-N 3Å; A503-L511 HydrophobicContact CB-CD1 4.27Å; A503-Q512 CarbonylContact C-O 3.58Å; A503-Q512 WeakPolarHBondContact CA-O 3.18Å; A503-L513 HydrophobicContact CB-CD2 4.06Å; A503-L513 HydrophobicContact CB-CG 4.38Å
504R95.7Very high94.6Very high13 Ų1330.3 Ų30.35%0.04917%0.173CC..EExtended strand (participates in β ladder)trans-134.6127176.7-166.3172.374.886-8.2109.6N463 T464 L511 Q512N463-R504 PolarHBondContact OD1-NH1 3.31Å; T464-R504 HydrophobicContact CG2-CG 3.41Å; T464-R504 VanDerWaalsContact CG2-CG 3.41Å; T464-R504 WeakPolarHBondContact OG1-CD 3.31Å; T464-R504 WeakPolarHBondContact OG1-CG 3.29Å; T464-R504 PolarHBondContact OG1-NH1 3.04Å; R504-L511 WeakPolarHBondContact O-CA 3.42Å; R504-Q512 HydrophobicContact CB-CB 4.44Å; R504-Q512 VanDerWaalsContact CZ-OE1 3.23Å; R504-Q512 PolarHBondContact N-O 3.13Å; R504-Q512 PolarHBondContact O-N 2.57Å
505Y96.6Very high94.4Very high20 Ų2030.8 Ų30.88%0.07818%0.176CC..EExtended strand (participates in β ladder)trans-110123.6172.7-173.6-107.6000110.2I465 T466 L510 L511 W553 F555I465-Y505 HydrophobicContact CD1-CD1 4.42Å; I465-Y505 HydrophobicContact CD1-CE1 4.41Å; I465-Y505 PolarHBondContact N-O 3.21Å; T466-Y505 HydrophobicContact CG2-CD1 4.2Å; T466-Y505 HydrophobicContact CG2-CG 4.37Å; T466-Y505 PolarHBondContact O-N 2.99Å; Y505-L510 WeakPolarHBondContact CA-O 3.21Å; Y505-L511 HydrophobicContact CD2-CB 4.41Å; Y505-L511 HydrophobicContact CD2-CD1 4.44Å; Y505-W553 WeakPolarHBondContact CE2-O 3.46Å; Y505-W553 PolarHBondContact OH-O 3.45Å; Y505-F555 HydrophobicContact CD1-CD1 4.03Å; Y505-F555 HydrophobicContact CD2-CB 4.37Å; Y505-F555 HydrophobicContact CE1-CB 4.16Å; Y505-F555 HydrophobicContact CE1-CD1 4.22Å; Y505-F555 HydrophobicContact CE2-CB 3.86Å; Y505-F555 HydrophobicContact CG-CD1 4.21Å; Y505-F555 PolarHBondContact OH-N 2.87Å
506S95.4Very high94.3Very high0 Ų030.2 Ų30.20%017%0.17CC..EExtended strand (participates in β ladder)trans-97.9165.1-175.260.60000113.4N463 E508 G509 L510N463-S506 CarbonylContact O-C 3.58Å; N463-S506 WeakPolarHBondContact O-CA 3.27Å; S506-E508 WeakPolarHBondContact CB-OE2 3.47Å; S506-E508 PolarHBondContact O-N 3.36Å; S506-E508 PolarHBondContact OG-OE2 2.98Å; S506-G509 PolarHBondContact O-N 2.75Å; S506-L510 PolarHBondContact N-O 3.02Å; S506-L510 WeakPolarHBondContact OG-CA 3.46Å; S506-L510 WeakPolarHBondContact OG-CB 3.09Å; S506-L510 PolarHBondContact OG-N 3.11Å; S506-L510 PolarHBondContact OG-O 2.86Å
507T94.6Very high94.2Very high86 Ų8627.3 Ų27.353%0.52816%0.159SC..THydrogen-bonded Turntrans-58.9-27.4173.940.80000113.9N463 I465 G509N463-T507 WeakPolarHBondContact CB-OG1 3.37Å; N463-T507 PolarHBondContact O-N 2.95Å; N463-T507 PolarHBondContact O-OG1 3.29Å; I465-T507 HydrophobicContact CD1-CG2 3.86Å; I465-T507 HydrophobicContact CG1-CG2 3.77Å; T507-G509 VanDerWaalsContact C-N 3.27Å; T507-G509 PolarHBondContact O-N 2.88Å
508E94.3Very high94.3Very high88 Ų8827.1 Ų27.141%0.41115%0.154SC..THydrogen-bonded Turntrans-78.4-17.4178.3-61.167.8-13300111.6N463 S506 L510 L552 R564N463-E508 PolarHBondContact ND2-OE2 3.46Å; S506-E508 WeakPolarHBondContact CB-OE2 3.47Å; S506-E508 PolarHBondContact O-N 3.36Å; S506-E508 PolarHBondContact OG-OE2 2.98Å; E508-L510 HydrophobicContact CB-CG 4.47Å; E508-L552 WeakPolarHBondContact O-CD2 3.37Å; E508-R564 PolarHBondContact O-NH1 3.02Å
509G96.1Very high94.3Very high0 Ų021.6 Ų21.60%013%0.127CC..  trans9518.4-173.600000113.9S506 T507 W553S506-G509 PolarHBondContact O-N 2.75Å; T507-G509 VanDerWaalsContact C-N 3.27Å; T507-G509 PolarHBondContact O-N 2.88Å; G509-W553 WeakPolarHBondContact CA-O 3.49Å; G509-W553 PolarHBondContact O-N 2.95Å
510L96.7Very high94.3Very high21 Ų2121.8 Ų21.811%0.1113%0.125CC..BIsolated β-bridgetrans-77.2129.7171-53.4169.3000109.5Y505 S506 E508 R551 L552Y505-L510 WeakPolarHBondContact CA-O 3.21Å; S506-L510 PolarHBondContact N-O 3.02Å; S506-L510 WeakPolarHBondContact OG-CA 3.46Å; S506-L510 WeakPolarHBondContact OG-CB 3.09Å; S506-L510 PolarHBondContact OG-N 3.11Å; S506-L510 PolarHBondContact OG-O 2.86Å; E508-L510 HydrophobicContact CB-CG 4.47Å; L510-R551 HydrophobicContact CD2-CB 4.2Å; L510-R551 HydrophobicContact CD2-CG 3.84Å; L510-L552 HydrophobicContact CD2-CD2 3.66Å; L510-L552 HydrophobicContact CG-CD2 4.27Å
511L97.3Very high93.9Very high2 Ų227 Ų271%0.0115%0.145CC..EExtended strand (participates in β ladder)trans-104109.8167.3-175.461.9000108.4L480 A503 R504 Y505 L528 I561 I596L480-L511 HydrophobicContact CD2-CD2 4.15Å; A503-L511 HydrophobicContact CB-CD1 4.27Å; R504-L511 WeakPolarHBondContact O-CA 3.42Å; Y505-L511 HydrophobicContact CD2-CB 4.41Å; Y505-L511 HydrophobicContact CD2-CD1 4.44Å; L511-L528 HydrophobicContact CB-CB 4.39Å; L511-L528 HydrophobicContact CD2-CD2 3.78Å; L511-L528 WeakPolarHBondContact O-CB 3.46Å; L511-L528 PolarHBondContact O-N 2.57Å; L511-I561 HydrophobicContact CD2-CD1 4.19Å; L511-I561 HydrophobicContact CD2-CG2 4.33Å; L511-I596 HydrophobicContact CD1-CD1 4.02Å
512Q96Very high93.6Very high7 Ų730.7 Ų30.73%0.03316%0.164CC..EExtended strand (participates in β ladder)trans-108.3145.7-178.5-70.8168.7-84.300110.4A503 R504 T525 K526 C542A503-Q512 CarbonylContact C-O 3.58Å; A503-Q512 WeakPolarHBondContact CA-O 3.18Å; R504-Q512 HydrophobicContact CB-CB 4.44Å; R504-Q512 VanDerWaalsContact CZ-OE1 3.23Å; R504-Q512 PolarHBondContact N-O 3.13Å; R504-Q512 PolarHBondContact O-N 2.57Å; Q512-T525 PolarHBondContact NE2-O 3.19Å; Q512-T525 PolarHBondContact NE2-OG1 3.23Å; Q512-K526 VanDerWaalsContact CA-O 3.26Å; Q512-K526 WeakPolarHBondContact CA-O 3.36Å; Q512-C542 PolarHBondContact NE2-SG 3.39Å
513L94.8Very high93.2Very high0 Ų034.8 Ų34.80%019%0.191CC..EExtended strand (participates in β ladder)trans-127.2138.3-178.5-84.9147.7000110.6L480 Q482 A490 A503 K526 L528 L539L480-L513 HydrophobicContact CB-CD2 4.38Å; L480-L513 HydrophobicContact CD1-CD1 4.26Å; L480-L513 HydrophobicContact CD2-CD1 3.69Å; L480-L513 HydrophobicContact CD2-CD2 4.13Å; L480-L513 HydrophobicContact CD2-CG 4.27Å; L480-L513 HydrophobicContact CG-CD1 3.69Å; L480-L513 HydrophobicContact CG-CD2 3.81Å; L480-L513 HydrophobicContact CG-CG 4.3Å; Q482-L513 HydrophobicContact CB-CB 4.46Å; A490-L513 HydrophobicContact CB-CD1 4.06Å; A503-L513 HydrophobicContact CB-CD2 4.06Å; A503-L513 HydrophobicContact CB-CG 4.38Å; L513-K526 PolarHBondContact N-O 3.39Å; L513-L528 HydrophobicContact CD1-CD1 4.06Å; L513-L539 HydrophobicContact CB-CD2 4.13Å; L513-L539 HydrophobicContact CD1-CD2 3.9Å
514G92.9Very high92.9Very high2 Ų236.7 Ų36.72%0.02120%0.202CC..SBendtrans116.1-177.7174.900000115.1S499 L502 T525S499-G514 CarbonylContact O-C 3.51Å; S499-G514 VanDerWaalsContact O-C 3.24Å; S499-G514 WeakPolarHBondContact O-CA 3.48Å; L502-G514 PolarHBondContact O-N 2.89Å; G514-T525 WeakPolarHBondContact O-CG2 3.35Å
515P91.1Very high92.7Very high55 Ų5536.5 Ų36.536%0.35720%0.202SC..SBendtrans-63140.3175.825.5-32.6000111.4G517 T525P515-G517 PolarHBondContact O-N 3.05Å; P515-T525 WeakPolarHBondContact O-CG2 3.19Å
516L93.1Very high92.5Very high25 Ų2537.6 Ų37.613%0.13121%0.207CC..PPolyproline II helixtrans-56.2129.7173.1-60.8-177.6000110.6W298 M416 A417 Y461 L502W298-L516 HydrophobicContact CB-CD1 4.19Å; M416-L516 HydrophobicContact CB-CD1 3.96Å; A417-L516 HydrophobicContact CB-CD1 4.15Å; Y461-L516 HydrophobicContact CD2-CD1 4.12Å; Y461-L516 HydrophobicContact CD2-CD2 4.1Å; Y461-L516 HydrophobicContact CE2-CB 3.8Å; Y461-L516 HydrophobicContact CE2-CD1 4.07Å; Y461-L516 HydrophobicContact CE2-CD2 3.94Å; Y461-L516 HydrophobicContact CE2-CG 4.15Å; L502-L516 HydrophobicContact CD2-CD2 4.46Å; L502-L516 HydrophobicContact CD2-CG 4.19Å
517G91.9Very high92.5Very high6 Ų637.6 Ų37.66%0.06221%0.207CC..PPolyproline II helixtrans-58.1144.9167.100000111.3Y461 P515Y461-G517 VanDerWaalsContact OH-CA 3.25Å; Y461-G517 WeakPolarHBondContact OH-CA 2.81Å; Y461-G517 PolarHBondContact OH-N 3.26Å; Y461-G517 PolarHBondContact OH-O 3.16Å; P515-G517 PolarHBondContact O-N 3.05Å
518S91.4Very high92.6Very high17 Ų1733.5 Ų33.512%0.11918%0.182CC..  trans-85.9-59.3-177.149.10000112.3R459 L522R459-S518 PolarHBondContact N-O 2.76Å; R459-S518 VanDerWaalsContact N-O 3.07Å; S518-L522 VanDerWaalsContact OG-CD1 3.25Å; S518-L522 WeakPolarHBondContact OG-CD1 3.48Å
519T91.8Very high92.7Very high6 Ų629.4 Ų29.44%0.03716%0.163CC..BIsolated β-bridgetrans-118.4168.4-178.4700000112.4M303 I305 Y455 E457 R459 F521 L522M303-T519 HydrophobicContact CE-CG2 4.46Å; I305-T519 HydrophobicContact CG2-CG2 4.42Å; Y455-T519 HydrophobicContact CE2-CG2 4.44Å; E457-T519 CarbonylContact O-C 3.42Å; E457-T519 WeakPolarHBondContact O-CA 3Å; E457-T519 WeakPolarHBondContact O-CB 3.5Å; R459-T519 PolarHBondContact NE-O 3.36Å; T519-F521 PolarHBondContact O-N 3.49Å; T519-L522 PolarHBondContact O-N 3.49Å; T519-L522 PolarHBondContact OG1-N 3.26Å
520T89.1Confident92.7Very high75 Ų7529.5 Ų29.546%0.4616%0.163SC..SBendtrans-67.4-23.3174.652.90000112.9E457 R459E457-T520 PolarHBondContact O-N 2.82Å; R459-T520 PolarHBondContact NH2-O 2.85Å
521F86.1Confident92.4Very high138 Ų13831.1 Ų31.161%0.60517%0.172SC*.SBendtrans-84-21.1178.8-55.8-60.9000114.2E457 T519E457-F521 HydrophobicContact CB-CD2 4.41Å; E457-F521 HydrophobicContact CB-CE2 4.07Å; E457-F521 HydrophobicContact CG-CD2 4.21Å; E457-F521 HydrophobicContact CG-CE2 3.44Å; E457-F521 VanDerWaalsContact CG-CE2 3.44Å; E457-F521 HydrophobicContact CG-CZ 4.24Å; T519-F521 PolarHBondContact O-N 3.49Å
522L88.2Confident92.1Very high76 Ų7633 Ų3340%0.39819%0.192SC..SBendtrans-95.9155.9179.4-68173.7000111.3M303 S518 T519M303-L522 HydrophobicContact CE-CD1 3.66Å; S518-L522 VanDerWaalsContact OG-CD1 3.25Å; S518-L522 WeakPolarHBondContact OG-CD1 3.48Å; T519-L522 PolarHBondContact O-N 3.49Å; T519-L522 PolarHBondContact OG1-N 3.26Å
523P87.3Confident91.7Very high93 Ų9343.8 Ų43.860%0.60423%0.232SC*.PPolyproline II helixtrans-55.3141.3176-2534.9000112.6
524D90.6Very high91.3Very high41 Ų4145 Ų4522%0.21925%0.245CC..PPolyproline II helixtrans-100.6167.5173.6-164.71.1000111R459 Y461 K526R459-D524 WeakPolarHBondContact CD-OD2 3.45Å; R459-D524 IonicContact CZ-OD2 3.08Å; R459-D524 IonicContact NE-OD2 3.65Å; R459-D524 IonicContact NH1-OD2 3.46Å; R459-D524 PolarHBondContact NH1-OD2 2.95Å; Y461-D524 PolarHBondContact OH-OD1 3.21Å; Y461-D524 VanDerWaalsContact OH-OD1 3.13Å; D524-K526 PolarHBondContact O-N 3.47Å
525T90.8Very high91.3Very high9 Ų950.4 Ų50.46%0.05526%0.264CS..  trans-44.6130.2166.150.60000112.3Q512 G514 P515Q512-T525 PolarHBondContact NE2-O 3.19Å; Q512-T525 PolarHBondContact NE2-OG1 3.23Å; G514-T525 WeakPolarHBondContact O-CG2 3.35Å; P515-T525 WeakPolarHBondContact O-CG2 3.19Å
526K94Very high91.3Very high42 Ų4250 Ų5018%0.18326%0.261CS..EExtended strand (participates in β ladder)trans-76.3145.7179.2-64.9176.9-172.5175.20110E485 D488 Q512 L513 D524 L539 K540E485-K526 PolarHBondContact O-NZ 3.35Å; D488-K526 WeakPolarHBondContact OD1-CE 3.33Å; D488-K526 IonicContact OD1-NZ 3.55Å; D488-K526 PolarHBondContact OD1-NZ 3.16Å; Q512-K526 VanDerWaalsContact CA-O 3.26Å; Q512-K526 WeakPolarHBondContact CA-O 3.36Å; L513-K526 PolarHBondContact N-O 3.39Å; D524-K526 PolarHBondContact O-N 3.47Å; K526-L539 HydrophobicContact CB-CB 3.87Å; K526-L539 HydrophobicContact CB-CD2 4.44Å; K526-L539 HydrophobicContact CD-CB 4Å; K526-K540 CarbonylContact C-O 3.11Å; K526-K540 WeakPolarHBondContact CA-O 3.27Å
527C95.4Very high91.3Very high0 Ų048.9 Ų48.90%026%0.255CS..EExtended strand (participates in β ladder)trans-83.2138172.1-80.70000110.6L539 K540 C542 R551C527-L539 WeakPolarHBondContact O-CA 3.31Å; C527-K540 PolarHBondContact N-O 2.79Å; C527-K540 PolarHBondContact O-N 2.96Å; C527-C542 HydrophobicContact CB-CB 4.01Å; C527-C542 WeakPolarHBondContact CB-SG 3.3Å; C527-C542 PolarHBondContact N-SG 2.57Å; C527-C542 WeakPolarHBondContact SG-CB 3.47Å; C527-C542 CovalentContact SG-SG 2.03Å; C527-C542 PolarHBondContact SG-SG 3.35Å; C527-R551 HydrophobicContact CB-CB 4.34Å
528L96.9Very high91.3Very high0 Ų049.5 Ų49.50%026%0.259CS..EExtended strand (participates in β ladder)trans-68.6129.6166.1-165.574.4000109.6A490 L511 L513 P537 L539 W553 L570A490-L528 HydrophobicContact CB-CD1 3.46Å; A490-L528 VanDerWaalsContact CB-CD1 3.46Å; L511-L528 HydrophobicContact CB-CB 4.39Å; L511-L528 HydrophobicContact CD2-CD2 3.78Å; L511-L528 WeakPolarHBondContact O-CB 3.46Å; L511-L528 PolarHBondContact O-N 2.57Å; L513-L528 HydrophobicContact CD1-CD1 4.06Å; L528-P537 HydrophobicContact CD1-CB 3.75Å; L528-P537 HydrophobicContact CD1-CG 4.37Å; L528-P537 HydrophobicContact CG-CB 4.26Å; L528-L539 HydrophobicContact CB-CD2 4.41Å; L528-L539 HydrophobicContact CD1-CD2 3.96Å; L528-W553 HydrophobicContact CD2-CH2 4.43Å; L528-W553 HydrophobicContact CD2-CZ2 3.92Å; L528-W553 HydrophobicContact CG-CZ2 4.06Å; L528-W553 PolarHBondContact O-NE1 2.83Å; L528-L570 HydrophobicContact CD2-CD1 4.19Å; L528-L570 HydrophobicContact CD2-CD2 3.9Å
529I96.2Very high91.5Very high2 Ų248.8 Ų48.81%0.0125%0.254CS..EExtended strand (participates in β ladder)trans-127.1149.1-178.465.6155000112.3S538 K540 V545 R551I529-S538 WeakPolarHBondContact CD1-OG 3.42Å; I529-S538 VanDerWaalsContact CG1-O 3.27Å; I529-S538 WeakPolarHBondContact CG1-O 3.4Å; I529-S538 WeakPolarHBondContact CG1-OG 3.11Å; I529-S538 PolarHBondContact N-O 2.87Å; I529-S538 PolarHBondContact O-N 2.61Å; I529-K540 HydrophobicContact CD1-CB 4.43Å; I529-K540 HydrophobicContact CD1-CD 3.56Å; I529-K540 HydrophobicContact CD1-CG 3.78Å; I529-K540 HydrophobicContact CG1-CG 4.39Å; I529-V545 HydrophobicContact CG2-CG1 4.49Å; I529-V545 HydrophobicContact CG2-CG2 3.78Å; I529-R551 HydrophobicContact CG2-CB 3.94Å
530D95.8Very high91.6Very high3 Ų353 Ų532%0.01627%0.271CS..  trans-110.4114.1162.1-176.27.7000109.9G532 Q550 W553 N563 T566 R568 V586D530-G532 VanDerWaalsContact C-N 3.28Å; D530-G532 PolarHBondContact O-N 3.33Å; D530-G532 PolarHBondContact OD1-N 3.16Å; D530-Q550 PolarHBondContact N-O 2.76Å; D530-Q550 WeakPolarHBondContact O-CB 3.25Å; D530-Q550 WeakPolarHBondContact O-CG 3.37Å; D530-W553 HydrophobicContact CB-CH2 4.09Å; D530-W553 HydrophobicContact CB-CZ2 4.16Å; D530-N563 HydrophobicContact CB-CB 4.06Å; D530-N563 WeakPolarHBondContact CB-ND2 3.26Å; D530-T566 WeakPolarHBondContact OD2-CB 3.31Å; D530-T566 WeakPolarHBondContact OD2-CG2 3.39Å; D530-T566 PolarHBondContact OD2-OG1 3.05Å; D530-R568 VanDerWaalsContact CG-NH2 3.29Å; D530-R568 IonicContact OD1-CZ 3.62Å; D530-R568 IonicContact OD1-NE 3.91Å; D530-R568 IonicContact OD1-NH2 2.83Å; D530-R568 PolarHBondContact OD1-NH2 2.03Å; D530-R568 IonicContact OD2-CZ 3.54Å; D530-R568 IonicContact OD2-NE 2.65Å; D530-R568 PolarHBondContact OD2-NE 2.9Å; D530-R568 IonicContact OD2-NH2 3.77Å; D530-R568 PolarHBondContact OD2-NH2 2.95Å; D530-V586 HydrophobicContact CB-CG1 4.22Å; D530-V586 VanDerWaalsContact OD2-CG1 3.31Å; D530-V586 WeakPolarHBondContact OD2-CG1 3.14Å
531D90.1Very high91.8Very high55 Ų5555.7 Ų55.729%0.29428%0.277SS..  trans-81.7-5179.274-2.6000114R533 G534D531-R533 PolarHBondContact O-N 3.3Å; D531-R533 PolarHBondContact OD1-N 3.14Å; D531-G534 PolarHBondContact OD1-N 3.23Å
532G90.3Very high92Very high41 Ų4149.8 Ų49.842%0.42325%0.253SS..SBendtrans74.2-5.2-178.500000115.2D530D530-G532 VanDerWaalsContact C-N 3.28Å; D530-G532 PolarHBondContact O-N 3.33Å; D530-G532 PolarHBondContact OD1-N 3.16Å
533R87.4Confident92.1Very high233 Ų23353.2 Ų53.288%0.87927%0.271SS*.SBendtrans-106.7-42.8-174.8-61.2179.1-176.3-1720.4111.4D531D531-R533 PolarHBondContact O-N 3.3Å; D531-R533 PolarHBondContact OD1-N 3.14Å
534G88.1Confident92.2Very high26 Ų2652.2 Ų52.227%0.26827%0.271SS..  trans-92.4168.1-17900000113.5D531 R568D531-G534 PolarHBondContact OD1-N 3.23Å; G534-R568 PolarHBondContact O-NH1 2.98Å; G534-R568 PolarHBondContact O-NH2 3.4Å
535R91.7Very high92.3Very high115 Ų11550.8 Ų50.843%0.43426%0.264SS..SBendtrans-96.7-10.1163.8-66.1-177.471.2-149.70.4112.4E573 V585 V586R535-E573 IonicContact CZ-OE1 2.67Å; R535-E573 IonicContact CZ-OE2 3.68Å; R535-E573 IonicContact NH1-OE1 2.67Å; R535-E573 PolarHBondContact NH1-OE1 3.16Å; R535-E573 IonicContact NH1-OE2 3.9Å; R535-E573 IonicContact NH2-OE1 3.84Å; R535-E573 IonicContact NH2-OE2 2.68Å; R535-E573 PolarHBondContact NH2-OE2 2.8Å; R535-V585 CarbonylContact O-C 3.57Å; R535-V585 WeakPolarHBondContact O-CA 3.39Å; R535-V585 WeakPolarHBondContact O-CB 3.42Å; R535-V586 PolarHBondContact O-N 3.44Å
536T90.9Very high92.1Very high47 Ų4756.2 Ų56.229%0.28830%0.302SS..SBendtrans-98.1125.3-179.7-680000109K489 R583K489-T536 HydrophobicContact CD-CG2 4.34Å; K489-T536 HydrophobicContact CG-CG2 4.3Å; T536-R583 PolarHBondContact OG1-NH2 3.11Å; T536-R583 VanDerWaalsContact OG1-NH2 3.16Å
537P92.8Very high92Very high1 Ų160.6 Ų60.61%0.00632%0.318CS..  trans-66.7142.9175.229.1-33.1000110A490 L528 L570 L584 V586A490-P537 HydrophobicContact CB-CG 4.37Å; L528-P537 HydrophobicContact CD1-CB 3.75Å; L528-P537 HydrophobicContact CD1-CG 4.37Å; L528-P537 HydrophobicContact CG-CB 4.26Å; P537-L570 HydrophobicContact CB-CD1 4.2Å; P537-L570 HydrophobicContact CG-CD1 3.93Å; P537-L584 HydrophobicContact CG-CD2 3.48Å; P537-L584 VanDerWaalsContact CG-CD2 3.48Å; P537-L584 HydrophobicContact CG-CG 3.86Å; P537-V586 HydrophobicContact CB-CG2 3.71Å; P537-V586 HydrophobicContact CG-CG2 4.2Å
538S93.7Very high91.9Very high19 Ų1965.2 Ų65.213%0.13334%0.341CS..EExtended strand (participates in β ladder)trans-111.2161.517640.10000111.4D488 I529D488-S538 CarbonylContact O-C 3.58Å; D488-S538 VanDerWaalsContact O-CA 3.31Å; D488-S538 WeakPolarHBondContact O-CA 3.46Å; D488-S538 VanDerWaalsContact O-CB 3.29Å; D488-S538 WeakPolarHBondContact O-CB 3.34Å; I529-S538 WeakPolarHBondContact CD1-OG 3.42Å; I529-S538 VanDerWaalsContact CG1-O 3.27Å; I529-S538 WeakPolarHBondContact CG1-O 3.4Å; I529-S538 WeakPolarHBondContact CG1-OG 3.11Å; I529-S538 PolarHBondContact N-O 2.87Å; I529-S538 PolarHBondContact O-N 2.61Å
539L94.9Very high91.7Very high2 Ų266.9 Ų66.91%0.0135%0.353CS..EExtended strand (participates in β ladder)trans-111.7128.6175-68.6173.7000108.1Q482 D488 A490 L513 K526 C527 L528Q482-L539 HydrophobicContact CB-CD1 4.33Å; Q482-L539 HydrophobicContact CG-CD1 3.87Å; Q482-L539 WeakPolarHBondContact O-CD1 3.36Å; D488-L539 WeakPolarHBondContact CB-O 3.36Å; D488-L539 PolarHBondContact O-N 3.07Å; A490-L539 HydrophobicContact CB-CD1 4.17Å; A490-L539 HydrophobicContact CB-CD2 4.25Å; A490-L539 HydrophobicContact CB-CG 4.08Å; L513-L539 HydrophobicContact CB-CD2 4.13Å; L513-L539 HydrophobicContact CD1-CD2 3.9Å; K526-L539 HydrophobicContact CB-CB 3.87Å; K526-L539 HydrophobicContact CB-CD2 4.44Å; K526-L539 HydrophobicContact CD-CB 4Å; C527-L539 WeakPolarHBondContact O-CA 3.31Å; L528-L539 HydrophobicContact CB-CD2 4.41Å; L528-L539 HydrophobicContact CD1-CD2 3.96Å
540K93.6Very high91.6Very high94 Ų9468.4 Ų68.441%0.40936%0.36SS..EExtended strand (participates in β ladder)trans-137.7155.7174.9-68.8-166.5-177.6171.70110.9K526 C527 I529 C542 V545K526-K540 CarbonylContact C-O 3.11Å; K526-K540 WeakPolarHBondContact CA-O 3.27Å; C527-K540 PolarHBondContact N-O 2.79Å; C527-K540 PolarHBondContact O-N 2.96Å; I529-K540 HydrophobicContact CD1-CB 4.43Å; I529-K540 HydrophobicContact CD1-CD 3.56Å; I529-K540 HydrophobicContact CD1-CG 3.78Å; I529-K540 HydrophobicContact CG1-CG 4.39Å; K540-C542 PolarHBondContact O-N 3.31Å; K540-C542 VanDerWaalsContact O-N 3.15Å; K540-V545 HydrophobicContact CB-CG2 4.09Å
541K92.6Very high91.6Very high132 Ų13270.1 Ų70.157%0.57437%0.366SS*.  trans-52.1124.8165-68.3-176-179.7-178.90108.1D543 A544K541-D543 PolarHBondContact O-N 2.88Å; K541-A544 HydrophobicContact CB-CB 4.02Å; K541-A544 WeakPolarHBondContact O-CB 3.27Å; K541-A544 PolarHBondContact O-N 3.49Å
542C90.4Very high92Very high15 Ų1568.8 Ų68.810%0.10136%0.359CS..G310 helixtrans-53.5-46.4-171-60.80000111Q512 C527 K540 A544 V545 R551Q512-C542 PolarHBondContact NE2-SG 3.39Å; C527-C542 HydrophobicContact CB-CB 4.01Å; C527-C542 WeakPolarHBondContact CB-SG 3.3Å; C527-C542 PolarHBondContact N-SG 2.57Å; C527-C542 WeakPolarHBondContact SG-CB 3.47Å; C527-C542 CovalentContact SG-SG 2.03Å; C527-C542 PolarHBondContact SG-SG 3.35Å; K540-C542 PolarHBondContact O-N 3.31Å; K540-C542 VanDerWaalsContact O-N 3.15Å; C542-A544 PolarHBondContact O-N 3Å; C542-V545 WeakPolarHBondContact O-CG2 3.33Å; C542-V545 PolarHBondContact O-N 2.6Å; C542-R551 PolarHBondContact O-NH1 2.74Å
543D89.9Confident92.3Very high147 Ų14766.8 Ų66.879%0.78634%0.339SS*.G310 helixtrans-74.4-11.1-176.7-55.8-32.4000114.4K541 V545 R551K541-D543 PolarHBondContact O-N 2.88Å; D543-V545 VanDerWaalsContact C-N 3.31Å; D543-R551 IonicContact OD1-NH1 3.61Å
544A91.1Very high92.8Very high73 Ų7359.2 Ų59.260%0.60332%0.316SS*.G310 helixtrans-84.6-5.1174.700000113K541 C542 S546K541-A544 HydrophobicContact CB-CB 4.02Å; K541-A544 WeakPolarHBondContact O-CB 3.27Å; K541-A544 PolarHBondContact O-N 3.49Å; C542-A544 PolarHBondContact O-N 3Å; A544-S546 PolarHBondContact O-N 3.11Å
545V90.8Very high93.2Very high11 Ų1159.1 Ų59.17%0.06731%0.308CS..  trans-85103.9179.7-174.90000109.3I529 K540 C542 D543 R547 Q550 R551I529-V545 HydrophobicContact CG2-CG1 4.49Å; I529-V545 HydrophobicContact CG2-CG2 3.78Å; K540-V545 HydrophobicContact CB-CG2 4.09Å; C542-V545 WeakPolarHBondContact O-CG2 3.33Å; C542-V545 PolarHBondContact O-N 2.6Å; D543-V545 VanDerWaalsContact C-N 3.31Å; V545-R547 PolarHBondContact O-N 3.45Å; V545-Q550 HydrophobicContact CG1-CB 4.23Å; V545-R551 HydrophobicContact CB-CG 4.39Å; V545-R551 HydrophobicContact CG1-CB 4.25Å; V545-R551 HydrophobicContact CG1-CG 4.26Å; V545-R551 HydrophobicContact CG2-CB 4.39Å
546S88.4Confident93.2Very high123 Ų12358.3 Ų58.386%0.8632%0.316SS*.SBendtrans-62-39.2-176.256.10000113.7A544A544-S546 PolarHBondContact O-N 3.11Å
547R91.7Very high93.3Very high134 Ų13458 Ų5851%0.50631%0.311SS..SBendtrans-9898.1177.5-172174179.3178.8-5.3110V545 S549 Q550 D565V545-R547 PolarHBondContact O-N 3.45Å; R547-S549 VanDerWaalsContact C-N 3.26Å; R547-S549 PolarHBondContact O-N 2.82Å; R547-S549 VanDerWaalsContact O-N 3.14Å; R547-Q550 HydrophobicContact CB-CG 4Å; R547-Q550 HydrophobicContact CG-CG 4.04Å; R547-Q550 VanDerWaalsContact O-CB 3.31Å; R547-Q550 WeakPolarHBondContact O-CB 3.41Å; R547-Q550 PolarHBondContact O-N 2.93Å; R547-D565 VanDerWaalsContact CZ-CG 3.42Å; R547-D565 IonicContact CZ-OD1 2.68Å; R547-D565 IonicContact CZ-OD2 3.43Å; R547-D565 IonicContact NE-OD1 3.26Å; R547-D565 PolarHBondContact NE-OD1 2.97Å; R547-D565 IonicContact NE-OD2 2.67Å; R547-D565 PolarHBondContact NE-OD2 3.24Å; R547-D565 IonicContact NH1-OD1 2.66Å; R547-D565 IonicContact NH1-OD2 3.96Å; R547-D565 PolarHBondContact NH1-OD2 2.83Å; R547-D565 IonicContact NH2-OD1 2.74Å; R547-D565 PolarHBondContact NH2-OD1 3.43Å; R547-D565 IonicContact NH2-OD2 3.71Å; R547-D565 PolarHBondContact NH2-OD2 3.21Å
548I92.4Very high93.3Very high97 Ų9762.2 Ų62.250%0.49733%0.333SS..G310 helixtrans-53.1-39.9-172.2-63.2174.5000112.6Q550 R551 L552I548-Q550 PolarHBondContact O-N 3Å; I548-Q550 VanDerWaalsContact O-N 3.14Å; I548-R551 WeakPolarHBondContact O-CG 3.44Å; I548-R551 PolarHBondContact O-N 3.02Å; I548-L552 HydrophobicContact CG2-CD1 3.87Å; I548-L552 HydrophobicContact CG2-CG 4.25Å; I548-L552 WeakPolarHBondContact O-CG 3.45Å
549S93.2Very high93.4Very high35 Ų3561.7 Ų61.725%0.24533%0.331CS..G310 helixtrans-58.7-27.418047.30000113.7R547 R551 L552 D565R547-S549 VanDerWaalsContact C-N 3.26Å; R547-S549 PolarHBondContact O-N 2.82Å; R547-S549 VanDerWaalsContact O-N 3.14Å; S549-R551 VanDerWaalsContact C-N 3.27Å; S549-R551 PolarHBondContact O-N 3.07Å; S549-L552 PolarHBondContact O-N 2.81Å; S549-D565 WeakPolarHBondContact CB-OD1 3.12Å; S549-D565 PolarHBondContact O-N 2.93Å; S549-D565 VanDerWaalsContact OG-CG 3.24Å; S549-D565 PolarHBondContact OG-OD1 2.87Å
550Q94.6Very high93.5Very high34 Ų3463.7 Ų63.716%0.15934%0.344CS..G310 helixtrans-67.7-25.4-179.2-68.9-175.1-27.600113.5D530 V545 R547 I548 N563 D565D530-Q550 PolarHBondContact N-O 2.76Å; D530-Q550 WeakPolarHBondContact O-CB 3.25Å; D530-Q550 WeakPolarHBondContact O-CG 3.37Å; V545-Q550 HydrophobicContact CG1-CB 4.23Å; R547-Q550 HydrophobicContact CB-CG 4Å; R547-Q550 HydrophobicContact CG-CG 4.04Å; R547-Q550 VanDerWaalsContact O-CB 3.31Å; R547-Q550 WeakPolarHBondContact O-CB 3.41Å; R547-Q550 PolarHBondContact O-N 2.93Å; I548-Q550 PolarHBondContact O-N 3Å; I548-Q550 VanDerWaalsContact O-N 3.14Å; Q550-N563 PolarHBondContact O-ND2 3.5Å; Q550-D565 HydrophobicContact CG-CB 4.1Å; Q550-D565 WeakPolarHBondContact CG-OD2 2.99Å
551R95.3Very high93.7Very high38 Ų3859.3 Ų59.314%0.14333%0.325CS..G310 helixtrans-96.4-2.5177.359.7171.5-175.3179.69113.5L510 C527 I529 C542 D543 V545 I548 S549L510-R551 HydrophobicContact CD2-CB 4.2Å; L510-R551 HydrophobicContact CD2-CG 3.84Å; C527-R551 HydrophobicContact CB-CB 4.34Å; I529-R551 HydrophobicContact CG2-CB 3.94Å; C542-R551 PolarHBondContact O-NH1 2.74Å; D543-R551 IonicContact OD1-NH1 3.61Å; V545-R551 HydrophobicContact CB-CG 4.39Å; V545-R551 HydrophobicContact CG1-CB 4.25Å; V545-R551 HydrophobicContact CG1-CG 4.26Å; V545-R551 HydrophobicContact CG2-CB 4.39Å; I548-R551 WeakPolarHBondContact O-CG 3.44Å; I548-R551 PolarHBondContact O-N 3.02Å; S549-R551 VanDerWaalsContact C-N 3.27Å; S549-R551 PolarHBondContact O-N 3.07Å
552L97.4Very high93.9Very high27 Ų2755.5 Ų55.514%0.14131%0.311CS..BIsolated β-bridgetrans-99.8135.9-177.6-58.8176.6000111E508 L510 I548 S549 N563 R564E508-L552 WeakPolarHBondContact O-CD2 3.37Å; L510-L552 HydrophobicContact CD2-CD2 3.66Å; L510-L552 HydrophobicContact CG-CD2 4.27Å; I548-L552 HydrophobicContact CG2-CD1 3.87Å; I548-L552 HydrophobicContact CG2-CG 4.25Å; I548-L552 WeakPolarHBondContact O-CG 3.45Å; S549-L552 PolarHBondContact O-N 2.81Å; L552-N563 PolarHBondContact O-ND2 2.87Å; L552-R564 HydrophobicContact CB-CB 4.12Å; L552-R564 HydrophobicContact CB-CG 4.07Å; L552-R564 PolarHBondContact O-N 3.45Å
553W97.9Very high94.3Very high0 Ų054.9 Ų54.90%031%0.306CS..EExtended strand (participates in β ladder)trans-130.4133.7-176.3-60.585.8000110.6Y505 G509 L528 D530 I561 I562 N563 L570 V586Y505-W553 WeakPolarHBondContact CE2-O 3.46Å; Y505-W553 PolarHBondContact OH-O 3.45Å; G509-W553 WeakPolarHBondContact CA-O 3.49Å; G509-W553 PolarHBondContact O-N 2.95Å; L528-W553 HydrophobicContact CD2-CH2 4.43Å; L528-W553 HydrophobicContact CD2-CZ2 3.92Å; L528-W553 HydrophobicContact CG-CZ2 4.06Å; L528-W553 PolarHBondContact O-NE1 2.83Å; D530-W553 HydrophobicContact CB-CH2 4.09Å; D530-W553 HydrophobicContact CB-CZ2 4.16Å; W553-I561 HydrophobicContact CB-CG2 4.03Å; W553-I561 HydrophobicContact CD2-CG2 3.87Å; W553-I561 HydrophobicContact CE3-CG2 3.36Å; W553-I561 HydrophobicContact CG-CG2 4.17Å; W553-I561 HydrophobicContact CZ3-CG2 4.08Å; W553-I562 CarbonylContact C-O 3.38Å; W553-I562 WeakPolarHBondContact CA-O 3.41Å; W553-N563 HydrophobicContact CD2-CB 4.32Å; W553-N563 HydrophobicContact CE3-CB 3.82Å; W553-N563 VanDerWaalsContact CE3-N 3.32Å; W553-N563 HydrophobicContact CH2-CB 3.94Å; W553-N563 HydrophobicContact CZ2-CB 4.39Å; W553-N563 HydrophobicContact CZ3-CB 3.63Å; W553-L570 HydrophobicContact CZ3-CB 4.21Å; W553-V586 HydrophobicContact CH2-CG1 4.36Å; W553-V586 HydrophobicContact CH2-CG2 4.16Å
554D97.3Very high94.6Very high74 Ų7452.8 Ų52.840%0.39629%0.287SS..EExtended strand (participates in β ladder)trans-85.8124.5165.8-69.4-35.7000109.2I561 I562 R564D554-I561 WeakPolarHBondContact O-CA 3.37Å; D554-I562 HydrophobicContact CB-CB 4.45Å; D554-I562 PolarHBondContact N-O 3.01Å; D554-I562 PolarHBondContact O-N 3.23Å; D554-R564 IonicContact OD1-CZ 3.21Å; D554-R564 IonicContact OD1-NE 2.93Å; D554-R564 PolarHBondContact OD1-NE 2.9Å; D554-R564 IonicContact OD1-NH2 3.93Å; D554-R564 PolarHBondContact OD1-NH2 3.49Å; D554-R564 IonicContact OD2-NE 3.24Å
555F95.6Very high94.8Very high23 Ų2351.1 Ų51.110%0.10127%0.268CS..EExtended strand (participates in β ladder)trans-140.9134.1-179.7170.9-112.1000111T466 Y505 Q557 I561 W594 I596T466-F555 HydrophobicContact CG2-CE1 4.12Å; Y505-F555 HydrophobicContact CD1-CD1 4.03Å; Y505-F555 HydrophobicContact CD2-CB 4.37Å; Y505-F555 HydrophobicContact CE1-CB 4.16Å; Y505-F555 HydrophobicContact CE1-CD1 4.22Å; Y505-F555 HydrophobicContact CE2-CB 3.86Å; Y505-F555 HydrophobicContact CG-CD1 4.21Å; Y505-F555 PolarHBondContact OH-N 2.87Å; F555-Q557 HydrophobicContact CE1-CG 4.33Å; F555-Q557 HydrophobicContact CZ-CG 4.19Å; F555-I561 HydrophobicContact CB-CG1 4.32Å; F555-I561 HydrophobicContact CD2-CD1 4.25Å; F555-I561 HydrophobicContact CD2-CG1 3.46Å; F555-I561 VanDerWaalsContact CD2-CG1 3.46Å; F555-I561 HydrophobicContact CE2-CG1 4.11Å; F555-I561 HydrophobicContact CG-CG1 4.16Å; F555-W594 HydrophobicContact CE2-CB 4.1Å; F555-I596 HydrophobicContact CD1-CD1 4.03Å; F555-I596 HydrophobicContact CE1-CB 4.3Å; F555-I596 HydrophobicContact CE1-CD1 3.62Å; F555-I596 HydrophobicContact CE1-CG1 3.76Å; F555-I596 HydrophobicContact CZ-CB 4.38Å; F555-I596 HydrophobicContact CZ-CD1 4.08Å; F555-I596 HydrophobicContact CZ-CG1 3.76Å
556T92.1Very high95.1Very high99 Ų9952.8 Ų52.861%0.60728%0.278SS*.  trans-131.7147.4164.157.80000107.8N558 G559T556-N558 PolarHBondContact O-N 3.05Å; T556-G559 VanDerWaalsContact O-CA 3.32Å; T556-G559 WeakPolarHBondContact O-CA 3.5Å; T556-G559 PolarHBondContact O-N 3.1Å
557Q92.8Very high95.5Very high39 Ų3949.1 Ų49.118%0.18226%0.26CS..THydrogen-bonded Turntrans-60.9141.2-178.2-64.4-83.10.300112.6T466 F555 G559 M595 I596 W599T466-Q557 PolarHBondContact OG1-NE2 3.02Å; F555-Q557 HydrophobicContact CE1-CG 4.33Å; F555-Q557 HydrophobicContact CZ-CG 4.19Å; Q557-G559 PolarHBondContact O-N 3Å; Q557-G559 VanDerWaalsContact O-N 3.14Å; Q557-M595 VanDerWaalsContact OE1-CG 3.3Å; Q557-I596 PolarHBondContact NE2-O 3.13Å; Q557-I596 VanDerWaalsContact NE2-O 3.1Å; Q557-I596 PolarHBondContact OE1-O 3.19Å; Q557-W599 HydrophobicContact CB-CH2 4.37Å; Q557-W599 HydrophobicContact CB-CZ2 4.27Å; Q557-W599 VanDerWaalsContact CD-CZ2 3.48Å; Q557-W599 HydrophobicContact CG-CH2 3.18Å; Q557-W599 HydrophobicContact CG-CZ2 3.16Å; Q557-W599 HydrophobicContact CG-CZ3 4.26Å; Q557-W599 VanDerWaalsContact NE2-CZ2 3.28Å
558N93.5Very high95.8Very high90 Ų9044.9 Ų44.948%0.48124%0.244SC..THydrogen-bonded Turntrans57.419.4-172.6-54.3-54.9000113.1T556 K593 W594 M595T556-N558 PolarHBondContact O-N 3.05Å; N558-K593 WeakPolarHBondContact O-CB 3.39Å; N558-K593 WeakPolarHBondContact O-CD 3.32Å; N558-K593 WeakPolarHBondContact O-CG 3.31Å; N558-W594 WeakPolarHBondContact CA-O 3.49Å; N558-W594 PolarHBondContact N-O 3.19Å; N558-M595 WeakPolarHBondContact OD1-CE 3.03Å
559G95.2Very high96Very high8 Ų840.3 Ų40.38%0.08222%0.221CC..BIsolated β-bridgetrans-113.4179172.800000111.7T556 Q557 K593 W594T556-G559 VanDerWaalsContact O-CA 3.32Å; T556-G559 WeakPolarHBondContact O-CA 3.5Å; T556-G559 PolarHBondContact O-N 3.1Å; Q557-G559 PolarHBondContact O-N 3Å; Q557-G559 VanDerWaalsContact O-N 3.14Å; G559-K593 WeakPolarHBondContact O-CA 3.39Å; G559-W594 PolarHBondContact O-N 3.44Å
560P96.9Very high96.2Very high44 Ų4438.6 Ų38.629%0.28621%0.209SC..  trans-70.3160.417331.2-35.4000111.5I562 Q592P560-I562 HydrophobicContact CB-CD1 4.38Å; P560-I562 HydrophobicContact CB-CG1 3.91Å; P560-I562 HydrophobicContact CG-CD1 3.78Å; P560-I562 HydrophobicContact CG-CG1 3.81Å; P560-Q592 WeakPolarHBondContact CA-O 3.35Å
561I97.8Very high96.3Very high2 Ų237 Ų371%0.0120%0.201CC..EExtended strand (participates in β ladder)trans-104.9107.8164.6-66166.7000106.8V470 L511 W553 D554 F555 C569 L570 W594V470-I561 HydrophobicContact CG1-CD1 4.16Å; L511-I561 HydrophobicContact CD2-CD1 4.19Å; L511-I561 HydrophobicContact CD2-CG2 4.33Å; W553-I561 HydrophobicContact CB-CG2 4.03Å; W553-I561 HydrophobicContact CD2-CG2 3.87Å; W553-I561 HydrophobicContact CE3-CG2 3.36Å; W553-I561 HydrophobicContact CG-CG2 4.17Å; W553-I561 HydrophobicContact CZ3-CG2 4.08Å; D554-I561 WeakPolarHBondContact O-CA 3.37Å; F555-I561 HydrophobicContact CB-CG1 4.32Å; F555-I561 HydrophobicContact CD2-CD1 4.25Å; F555-I561 HydrophobicContact CD2-CG1 3.46Å; F555-I561 VanDerWaalsContact CD2-CG1 3.46Å; F555-I561 HydrophobicContact CE2-CG1 4.11Å; F555-I561 HydrophobicContact CG-CG1 4.16Å; I561-C569 CarbonylContact O-C 3.56Å; I561-C569 VanDerWaalsContact O-CA 3.26Å; I561-C569 WeakPolarHBondContact O-CA 3.47Å; I561-L570 HydrophobicContact CB-CB 4.1Å; I561-L570 HydrophobicContact CD1-CD2 4.13Å; I561-L570 HydrophobicContact CG2-CB 4.18Å; I561-L570 PolarHBondContact O-N 2.76Å; I561-W594 HydrophobicContact CD1-CB 3.57Å; I561-W594 HydrophobicContact CD1-CD2 3.93Å; I561-W594 HydrophobicContact CD1-CG 3.52Å; I561-W594 HydrophobicContact CG1-CB 3.9Å; I561-W594 HydrophobicContact CG1-CG 3.94Å
562I98.1Very high96.3Very high53 Ų5335.5 Ų35.527%0.27220%0.197SC..EExtended strand (participates in β ladder)trans-109.5127.7-170.9-46.6-179.3000110W553 D554 P560W553-I562 CarbonylContact C-O 3.38Å; W553-I562 WeakPolarHBondContact CA-O 3.41Å; D554-I562 HydrophobicContact CB-CB 4.45Å; D554-I562 PolarHBondContact N-O 3.01Å; D554-I562 PolarHBondContact O-N 3.23Å; P560-I562 HydrophobicContact CB-CD1 4.38Å; P560-I562 HydrophobicContact CB-CG1 3.91Å; P560-I562 HydrophobicContact CG-CD1 3.78Å; P560-I562 HydrophobicContact CG-CG1 3.81Å
563N97.9Very high96.1Very high1 Ų136.4 Ų36.41%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-73.6131174.8-173.1-93.4000110.9D530 Q550 L552 W553 D565 T566 G567 R568D530-N563 HydrophobicContact CB-CB 4.06Å; D530-N563 WeakPolarHBondContact CB-ND2 3.26Å; Q550-N563 PolarHBondContact O-ND2 3.5Å; L552-N563 PolarHBondContact O-ND2 2.87Å; W553-N563 HydrophobicContact CD2-CB 4.32Å; W553-N563 HydrophobicContact CE3-CB 3.82Å; W553-N563 VanDerWaalsContact CE3-N 3.32Å; W553-N563 HydrophobicContact CH2-CB 3.94Å; W553-N563 HydrophobicContact CZ2-CB 4.39Å; W553-N563 HydrophobicContact CZ3-CB 3.63Å; N563-D565 VanDerWaalsContact C-N 3.28Å; N563-D565 PolarHBondContact O-N 3.47Å; N563-D565 WeakPolarHBondContact OD1-CA 3.16Å; N563-D565 WeakPolarHBondContact OD1-CB 3.35Å; N563-D565 PolarHBondContact OD1-N 3.1Å; N563-T566 PolarHBondContact OD1-N 2.93Å; N563-T566 VanDerWaalsContact OD1-N 3.13Å; N563-G567 VanDerWaalsContact O-CA 3.3Å; N563-G567 WeakPolarHBondContact O-CA 3.34Å; N563-G567 PolarHBondContact O-N 3Å; N563-R568 PolarHBondContact N-O 3.32Å
564R96.8Very high95.7Very high104 Ų10444.5 Ų44.539%0.39224%0.24SC..THydrogen-bonded Turntrans-72-18-177.8-68.3-168.1-177.5148.46.5114.3E508 L552 D554E508-R564 PolarHBondContact O-NH1 3.02Å; L552-R564 HydrophobicContact CB-CB 4.12Å; L552-R564 HydrophobicContact CB-CG 4.07Å; L552-R564 PolarHBondContact O-N 3.45Å; D554-R564 IonicContact OD1-CZ 3.21Å; D554-R564 IonicContact OD1-NE 2.93Å; D554-R564 PolarHBondContact OD1-NE 2.9Å; D554-R564 IonicContact OD1-NH2 3.93Å; D554-R564 PolarHBondContact OD1-NH2 3.49Å; D554-R564 IonicContact OD2-NE 3.24Å
565D95.8Very high95.2Very high37 Ų3741.9 Ų41.920%0.19823%0.227CC..THydrogen-bonded Turntrans-85.9-50.4178.1-160.350000112.3R547 S549 Q550 N563R547-D565 VanDerWaalsContact CZ-CG 3.42Å; R547-D565 IonicContact CZ-OD1 2.68Å; R547-D565 IonicContact CZ-OD2 3.43Å; R547-D565 IonicContact NE-OD1 3.26Å; R547-D565 PolarHBondContact NE-OD1 2.97Å; R547-D565 IonicContact NE-OD2 2.67Å; R547-D565 PolarHBondContact NE-OD2 3.24Å; R547-D565 IonicContact NH1-OD1 2.66Å; R547-D565 IonicContact NH1-OD2 3.96Å; R547-D565 PolarHBondContact NH1-OD2 2.83Å; R547-D565 IonicContact NH2-OD1 2.74Å; R547-D565 PolarHBondContact NH2-OD1 3.43Å; R547-D565 IonicContact NH2-OD2 3.71Å; R547-D565 PolarHBondContact NH2-OD2 3.21Å; S549-D565 WeakPolarHBondContact CB-OD1 3.12Å; S549-D565 PolarHBondContact O-N 2.93Å; S549-D565 VanDerWaalsContact OG-CG 3.24Å; S549-D565 PolarHBondContact OG-OD1 2.87Å; Q550-D565 HydrophobicContact CG-CB 4.1Å; Q550-D565 WeakPolarHBondContact CG-OD2 2.99Å; N563-D565 VanDerWaalsContact C-N 3.28Å; N563-D565 PolarHBondContact O-N 3.47Å; N563-D565 WeakPolarHBondContact OD1-CA 3.16Å; N563-D565 WeakPolarHBondContact OD1-CB 3.35Å; N563-D565 PolarHBondContact OD1-N 3.1Å
566T96.3Very high94.7Very high46 Ų4650.9 Ų50.928%0.28227%0.266SS..THydrogen-bonded Turntrans-98.7-15.3-169.966.80000113.2D530 N563 R568D530-T566 WeakPolarHBondContact OD2-CB 3.31Å; D530-T566 WeakPolarHBondContact OD2-CG2 3.39Å; D530-T566 PolarHBondContact OD2-OG1 3.05Å; N563-T566 PolarHBondContact OD1-N 2.93Å; N563-T566 VanDerWaalsContact OD1-N 3.13Å; T566-R568 PolarHBondContact O-N 3.24Å; T566-R568 WeakPolarHBondContact OG1-CB 3.47Å; T566-R568 WeakPolarHBondContact OG1-CG 3.32Å; T566-R568 PolarHBondContact OG1-N 2.88Å
567G96.5Very high94.1Very high46 Ų4653.5 Ų53.547%0.47428%0.277SS..  trans65.710.3-170.700000113.7N563N563-G567 VanDerWaalsContact O-CA 3.3Å; N563-G567 WeakPolarHBondContact O-CA 3.34Å; N563-G567 PolarHBondContact O-N 3Å
568R97.5Very high93.6Very high46 Ų4652.8 Ų52.817%0.17428%0.277CS..PPolyproline II helixtrans-82.8151.5177.7-62.5-166.8-63.7172.9-17.6110.8D530 G534 N563 T566 V586 Q587D530-R568 VanDerWaalsContact CG-NH2 3.29Å; D530-R568 IonicContact OD1-CZ 3.62Å; D530-R568 IonicContact OD1-NE 3.91Å; D530-R568 IonicContact OD1-NH2 2.83Å; D530-R568 PolarHBondContact OD1-NH2 2.03Å; D530-R568 IonicContact OD2-CZ 3.54Å; D530-R568 IonicContact OD2-NE 2.65Å; D530-R568 PolarHBondContact OD2-NE 2.9Å; D530-R568 IonicContact OD2-NH2 3.77Å; D530-R568 PolarHBondContact OD2-NH2 2.95Å; G534-R568 PolarHBondContact O-NH1 2.98Å; G534-R568 PolarHBondContact O-NH2 3.4Å; N563-R568 PolarHBondContact N-O 3.32Å; T566-R568 PolarHBondContact O-N 3.24Å; T566-R568 WeakPolarHBondContact OG1-CB 3.47Å; T566-R568 WeakPolarHBondContact OG1-CG 3.32Å; T566-R568 PolarHBondContact OG1-N 2.88Å; R568-V586 HydrophobicContact CB-CG1 3.58Å; R568-V586 PolarHBondContact NH1-O 2.95Å; R568-Q587 CarbonylContact C-O 3.58Å; R568-Q587 WeakPolarHBondContact CA-O 3.45Å; R568-Q587 WeakPolarHBondContact CB-O 3.44Å
569C97.6Very high92.4Very high0 Ų056 Ų560%030%0.295CS..EExtended strand (participates in β ladder)trans-98.3145.4176.9-77.40000112I561 E571 V586 Q587 C589I561-C569 CarbonylContact O-C 3.56Å; I561-C569 VanDerWaalsContact O-CA 3.26Å; I561-C569 WeakPolarHBondContact O-CA 3.47Å; C569-E571 HydrophobicContact CB-CG 3.77Å; C569-E571 WeakPolarHBondContact CB-OE1 3.47Å; C569-V586 WeakPolarHBondContact O-CA 3.43Å; C569-Q587 PolarHBondContact N-O 3.33Å; C569-Q587 PolarHBondContact O-N 2.85Å; C569-C589 HydrophobicContact CB-CB 3.87Å; C569-C589 WeakPolarHBondContact CB-SG 3.14Å; C569-C589 VanDerWaalsContact SG-CA 3.56Å; C569-C589 WeakPolarHBondContact SG-CB 3.49Å; C569-C589 CovalentContact SG-SG 2.03Å; C569-C589 PolarHBondContact SG-SG 3.28Å
570L97.8Very high91.7Very high0 Ų059.6 Ų59.60%031%0.308CS..EExtended strand (participates in β ladder)trans-70.4124.7159.9-169.569.5000108.7L480 L528 P537 W553 I561 L584 V586 W594L480-L570 HydrophobicContact CD1-CD2 4.4Å; L480-L570 HydrophobicContact CD2-CD2 4.15Å; L528-L570 HydrophobicContact CD2-CD1 4.19Å; L528-L570 HydrophobicContact CD2-CD2 3.9Å; P537-L570 HydrophobicContact CB-CD1 4.2Å; P537-L570 HydrophobicContact CG-CD1 3.93Å; W553-L570 HydrophobicContact CZ3-CB 4.21Å; I561-L570 HydrophobicContact CB-CB 4.1Å; I561-L570 HydrophobicContact CD1-CD2 4.13Å; I561-L570 HydrophobicContact CG2-CB 4.18Å; I561-L570 PolarHBondContact O-N 2.76Å; L570-L584 HydrophobicContact CD1-CD1 3.81Å; L570-L584 HydrophobicContact CD1-CD2 4.23Å; L570-L584 HydrophobicContact CD1-CG 3.96Å; L570-L584 HydrophobicContact CD2-CD1 4.37Å; L570-L584 HydrophobicContact CG-CD1 3.99Å; L570-V586 HydrophobicContact CD1-CG2 4.06Å; L570-W594 HydrophobicContact CB-CZ2 4.45Å; L570-W594 HydrophobicContact CD2-CH2 4.27Å; L570-W594 HydrophobicContact CD2-CZ2 4Å; L570-W594 HydrophobicContact CG-CH2 4.43Å; L570-W594 HydrophobicContact CG-CZ2 3.84Å; L570-W594 PolarHBondContact O-NE1 3.07Å
571E96.5Very high91.2Very high0 Ų059 Ų590%031%0.31CS..EExtended strand (participates in β ladder)trans-142.6157-169.2-64.4-88.9167.700109.8C569 V585 Q587 S590 Q592C569-E571 HydrophobicContact CB-CG 3.77Å; C569-E571 WeakPolarHBondContact CB-OE1 3.47Å; E571-V585 HydrophobicContact CB-CG2 4.15Å; E571-V585 PolarHBondContact N-O 2.65Å; E571-V585 WeakPolarHBondContact O-CG2 3.3Å; E571-V585 PolarHBondContact O-N 3.1Å; E571-V585 VanDerWaalsContact O-O 3.1Å; E571-Q587 HydrophobicContact CB-CG 3.97Å; E571-Q587 HydrophobicContact CG-CG 3.83Å; E571-S590 PolarHBondContact OE1-N 3.36Å; E571-S590 PolarHBondContact OE2-OG 3.1Å; E571-Q592 WeakPolarHBondContact OE2-CB 3.06Å; E571-Q592 WeakPolarHBondContact OE2-CG 3.34Å; E571-Q592 PolarHBondContact OE2-NE2 2.93Å
572V95.3Very high90.9Very high7 Ų760.6 Ų60.64%0.04232%0.318CS..EExtended strand (participates in β ladder)trans-108.1132.5170.8-179.50000109.2N472 A475 L492 L582 R583 Q592 W594N472-V572 HydrophobicContact CB-CG2 3.88Å; A475-V572 HydrophobicContact CB-CG1 4.12Å; L492-V572 HydrophobicContact CD1-CG2 4.27Å; L492-V572 HydrophobicContact CD2-CG1 3.7Å; L492-V572 HydrophobicContact CD2-CG2 3.99Å; V572-L582 HydrophobicContact CG1-CB 4.2Å; V572-L582 HydrophobicContact CG1-CD2 3.96Å; V572-R583 WeakPolarHBondContact CA-O 3.33Å; V572-Q592 PolarHBondContact O-NE2 2.98Å; V572-W594 HydrophobicContact CG2-CH2 3.75Å; V572-W594 HydrophobicContact CG2-CZ2 3.97Å
573E92.8Very high90.6Very high45 Ų4563 Ų6321%0.2132%0.324CS..EExtended strand (participates in β ladder)trans-123.1153.4174.170.9175.7-177.900111.8R535 L582 R583 V585R535-E573 IonicContact CZ-OE1 2.67Å; R535-E573 IonicContact CZ-OE2 3.68Å; R535-E573 IonicContact NH1-OE1 2.67Å; R535-E573 PolarHBondContact NH1-OE1 3.16Å; R535-E573 IonicContact NH1-OE2 3.9Å; R535-E573 IonicContact NH2-OE1 3.84Å; R535-E573 IonicContact NH2-OE2 2.68Å; R535-E573 PolarHBondContact NH2-OE2 2.8Å; E573-L582 CarbonylContact O-C 3.55Å; E573-L582 WeakPolarHBondContact O-CA 3.13Å; E573-R583 HydrophobicContact CG-CB 4.02Å; E573-R583 PolarHBondContact N-O 3.33Å; E573-R583 PolarHBondContact O-N 2.96Å; E573-V585 HydrophobicContact CB-CG2 4.26Å; E573-V585 HydrophobicContact CG-CG1 3.94Å; E573-V585 HydrophobicContact CG-CG2 4Å; E573-V585 WeakPolarHBondContact OE1-CG1 3.47Å
574M90.1Very high90.4Very high171 Ų17163.2 Ų63.284%0.84233%0.325SS*.EExtended strand (participates in β ladder)trans-78.3132.2169.5-66.8-178.873.800109.6G581 L582M574-G581 CarbonylContact C-O 3.6Å; M574-G581 VanDerWaalsContact CA-O 3.27Å; M574-G581 WeakPolarHBondContact CA-O 3.23Å; M574-L582 HydrophobicContact CG-CD2 4.21Å
575S87.5Confident90.3Very high19 Ų1958.3 Ų58.313%0.13331%0.307CS..  trans-143.6126.1-178.5175.50000110.1D577 A578 G581S575-D577 PolarHBondContact O-N 2.88Å; S575-D577 PolarHBondContact OG-N 2.66Å; S575-A578 PolarHBondContact O-N 2.97Å; S575-G581 PolarHBondContact N-O 3.28Å; S575-G581 CarbonylContact O-C 3.58Å; S575-G581 VanDerWaalsContact O-CA 3.31Å; S575-G581 WeakPolarHBondContact O-CA 2.97Å
576K83.8Confident90.4Very high212 Ų21256.6 Ų56.692%0.92230%0.297SS*.THydrogen-bonded Turntrans-65.8-26.5177.2-65.4-173.2179.3-178.80112.7A578K576-A578 VanDerWaalsContact C-N 3.28Å; K576-A578 PolarHBondContact O-N 3.03Å
577D80.8Confident90.3Very high153 Ų15356.6 Ų56.682%0.81829%0.294SS*.THydrogen-bonded Turntrans-87.25.2-178.8-51.2-39.7000113.2S575S575-D577 PolarHBondContact O-N 2.88Å; S575-D577 PolarHBondContact OG-N 2.66Å
578A80.8Confident90.3Very high24 Ų2465.3 Ų65.320%0.19831%0.313CS..SBendtrans-100.3140.9179.500000111.2S575 K576 F580 G581 L582 R583S575-A578 PolarHBondContact O-N 2.97Å; K576-A578 VanDerWaalsContact C-N 3.28Å; K576-A578 PolarHBondContact O-N 3.03Å; A578-F580 PolarHBondContact O-N 2.83Å; A578-G581 PolarHBondContact O-N 2.05Å; A578-L582 VanDerWaalsContact CB-O 3.23Å; A578-L582 WeakPolarHBondContact CB-O 3.43Å; A578-R583 HydrophobicContact CB-CB 4.29Å
579N69.8Low90.2Very high158 Ų15865.9 Ų65.985%0.84532%0.323SS*.THydrogen-bonded Turntrans-51.9-30.4-175.5-71.2-9.1000114.5
580F80.2Confident90.1Very high83 Ų8368.9 Ų68.936%0.36435%0.345SS..THydrogen-bonded Turntrans-119.719179.7-55.6-68.8000113.2Y478 Y493 P494 A578 L582Y478-F580 HydrophobicContact CE1-CB 3.6Å; Y478-F580 HydrophobicContact CE1-CD1 4.38Å; Y478-F580 HydrophobicContact CE1-CD2 4.1Å; Y478-F580 AromaticContact CE1-CG 3.77Å; Y478-F580 HydrophobicContact CE1-CG 3.77Å; Y493-F580 AromaticContact CD2-CE2 3.69Å; Y493-F580 HydrophobicContact CD2-CE2 3.69Å; Y493-F580 HydrophobicContact CD2-CZ 4.29Å; Y493-F580 AromaticContact CE2-CE2 3.62Å; Y493-F580 HydrophobicContact CE2-CE2 3.62Å; Y493-F580 AromaticContact CE2-CZ 3.78Å; Y493-F580 HydrophobicContact CE2-CZ 3.78Å; P494-F580 HydrophobicContact CG-CE1 4.38Å; P494-F580 HydrophobicContact CG-CE2 4.45Å; P494-F580 HydrophobicContact CG-CZ 4.23Å; A578-F580 PolarHBondContact O-N 2.83Å; F580-L582 PolarHBondContact O-N 2.8Å; F580-L582 VanDerWaalsContact O-N 3.1Å
581G86.8Confident89.9Confident31 Ų3171.6 Ų71.632%0.3237%0.372SS..SBendtrans69.81.3-175.800000114.6M574 S575 A578M574-G581 CarbonylContact C-O 3.6Å; M574-G581 VanDerWaalsContact CA-O 3.27Å; M574-G581 WeakPolarHBondContact CA-O 3.23Å; S575-G581 PolarHBondContact N-O 3.28Å; S575-G581 CarbonylContact O-C 3.58Å; S575-G581 VanDerWaalsContact O-CA 3.31Å; S575-G581 WeakPolarHBondContact O-CA 2.97Å; A578-G581 PolarHBondContact O-N 2.05Å
582L90.8Very high89.9Confident37 Ų3771.8 Ų71.819%0.19437%0.373CS..EExtended strand (participates in β ladder)trans-124138.7-178.9-64.3172.6000110.3A475 Y478 L492 V572 E573 M574 A578 F580A475-L582 HydrophobicContact CB-CD1 3.84Å; Y478-L582 HydrophobicContact CD2-CD1 3.56Å; Y478-L582 HydrophobicContact CE2-CD1 3.61Å; Y478-L582 HydrophobicContact CG-CD1 4.06Å; L492-L582 HydrophobicContact CD2-CB 3.82Å; L492-L582 HydrophobicContact CD2-CD1 4.17Å; V572-L582 HydrophobicContact CG1-CB 4.2Å; V572-L582 HydrophobicContact CG1-CD2 3.96Å; E573-L582 CarbonylContact O-C 3.55Å; E573-L582 WeakPolarHBondContact O-CA 3.13Å; M574-L582 HydrophobicContact CG-CD2 4.21Å; A578-L582 VanDerWaalsContact CB-O 3.23Å; A578-L582 WeakPolarHBondContact CB-O 3.43Å; F580-L582 PolarHBondContact O-N 2.8Å; F580-L582 VanDerWaalsContact O-N 3.1Å
583R90.7Very high89.9Confident102 Ų10276.8 Ų76.839%0.38540%0.395SS..EExtended strand (participates in β ladder)trans-128.6135.3179.4-173.4179.8178.1161.61.3110.5T536 V572 E573 A578 V585T536-R583 PolarHBondContact OG1-NH2 3.11Å; T536-R583 VanDerWaalsContact OG1-NH2 3.16Å; V572-R583 WeakPolarHBondContact CA-O 3.33Å; E573-R583 HydrophobicContact CG-CB 4.02Å; E573-R583 PolarHBondContact N-O 3.33Å; E573-R583 PolarHBondContact O-N 2.96Å; A578-R583 HydrophobicContact CB-CB 4.29Å; R583-V585 HydrophobicContact CG-CG1 3.97Å
584L94.8Very high90.1Very high7 Ų774.7 Ų74.74%0.03739%0.385CS..EExtended strand (participates in β ladder)trans-78.1127.6168.9-170.370.9000110L480 A490 L492 P537 L570 W594L480-L584 HydrophobicContact CD1-CD1 4.03Å; L480-L584 HydrophobicContact CD1-CD2 3.29Å; L480-L584 HydrophobicContact CD1-CG 4.31Å; A490-L584 HydrophobicContact CB-CD2 3.95Å; L492-L584 HydrophobicContact CB-CB 4.21Å; P537-L584 HydrophobicContact CG-CD2 3.48Å; P537-L584 VanDerWaalsContact CG-CD2 3.48Å; P537-L584 HydrophobicContact CG-CG 3.86Å; L570-L584 HydrophobicContact CD1-CD1 3.81Å; L570-L584 HydrophobicContact CD1-CD2 4.23Å; L570-L584 HydrophobicContact CD1-CG 3.96Å; L570-L584 HydrophobicContact CD2-CD1 4.37Å; L570-L584 HydrophobicContact CG-CD1 3.99Å; L584-W594 HydrophobicContact CD1-CH2 3.75Å; L584-W594 HydrophobicContact CD1-CZ2 4.16Å
585V95.3Very high90.4Very high0 Ų070.8 Ų70.80%037%0.365CS..EExtended strand (participates in β ladder)trans-139.9158.5-178.6-660000113R535 E571 E573 R583 Q587R535-V585 CarbonylContact O-C 3.57Å; R535-V585 WeakPolarHBondContact O-CA 3.39Å; R535-V585 WeakPolarHBondContact O-CB 3.42Å; E571-V585 HydrophobicContact CB-CG2 4.15Å; E571-V585 PolarHBondContact N-O 2.65Å; E571-V585 WeakPolarHBondContact O-CG2 3.3Å; E571-V585 PolarHBondContact O-N 3.1Å; E571-V585 VanDerWaalsContact O-O 3.1Å; E573-V585 HydrophobicContact CB-CG2 4.26Å; E573-V585 HydrophobicContact CG-CG1 3.94Å; E573-V585 HydrophobicContact CG-CG2 4Å; E573-V585 WeakPolarHBondContact OE1-CG1 3.47Å; R583-V585 HydrophobicContact CG-CG1 3.97Å; V585-Q587 HydrophobicContact CG2-CG 4.21Å
586V96.8Very high90.8Very high1 Ų170 Ų701%0.00636%0.359CS..EExtended strand (participates in β ladder)trans-113.7115.3169.6-1750000109D530 R535 P537 W553 R568 C569 L570D530-V586 HydrophobicContact CB-CG1 4.22Å; D530-V586 VanDerWaalsContact OD2-CG1 3.31Å; D530-V586 WeakPolarHBondContact OD2-CG1 3.14Å; R535-V586 PolarHBondContact O-N 3.44Å; P537-V586 HydrophobicContact CB-CG2 3.71Å; P537-V586 HydrophobicContact CG-CG2 4.2Å; W553-V586 HydrophobicContact CH2-CG1 4.36Å; W553-V586 HydrophobicContact CH2-CG2 4.16Å; R568-V586 HydrophobicContact CB-CG1 3.58Å; R568-V586 PolarHBondContact NH1-O 2.95Å; C569-V586 WeakPolarHBondContact O-CA 3.43Å; L570-V586 HydrophobicContact CD1-CG2 4.06Å
587Q95.5Very high91.2Very high46 Ų4666 Ų6622%0.21534%0.339CS..EExtended strand (participates in β ladder)trans-153.2-175.5-171.766.1177.434.300112.5R568 C569 E571 V585 C589R568-Q587 CarbonylContact C-O 3.58Å; R568-Q587 WeakPolarHBondContact CA-O 3.45Å; R568-Q587 WeakPolarHBondContact CB-O 3.44Å; C569-Q587 PolarHBondContact N-O 3.33Å; C569-Q587 PolarHBondContact O-N 2.85Å; E571-Q587 HydrophobicContact CB-CG 3.97Å; E571-Q587 HydrophobicContact CG-CG 3.83Å; V585-Q587 HydrophobicContact CG2-CG 4.21Å; Q587-C589 PolarHBondContact O-N 3.46Å
588R95.8Very high91.8Very high229 Ų22959 Ų5986%0.86430%0.301SS*.SBendtrans-59.4134.1173.9-134.1177.5-173.1173.11.4110.2S590R588-S590 PolarHBondContact O-N 2.83Å
589C96Very high92.2Very high58 Ų5861.2 Ų61.239%0.39230%0.304SS..  trans-58.2125.9-176.1-60.60000112.1C569 Q587C569-C589 HydrophobicContact CB-CB 3.87Å; C569-C589 WeakPolarHBondContact CB-SG 3.14Å; C569-C589 VanDerWaalsContact SG-CA 3.56Å; C569-C589 WeakPolarHBondContact SG-CB 3.49Å; C569-C589 CovalentContact SG-SG 2.03Å; C569-C589 PolarHBondContact SG-SG 3.28Å; Q587-C589 PolarHBondContact O-N 3.46Å
590S95.1Very high92.9Very high64 Ų6455.7 Ų55.745%0.44828%0.275SS..  trans-107.83.9178.782.90000113.4K474 E571 R588K474-S590 PolarHBondContact NZ-OG 3.34Å; E571-S590 PolarHBondContact OE1-N 3.36Å; E571-S590 PolarHBondContact OE2-OG 3.1Å; R588-S590 PolarHBondContact O-N 2.83Å
591G93.1Very high92.3Very high57 Ų5761.6 Ų61.659%0.58830%0.295SS*.  trans85.319.1-177.600000114
592Q95.7Very high90.9Very high3 Ų366.1 Ų66.11%0.01431%0.307CS..  trans-65.7145.1172.7-75.4-175.943.300111.6N472 K474 P560 E571 V572N472-Q592 PolarHBondContact ND2-OE1 2.77Å; N472-Q592 PolarHBondContact OD1-OE1 3.47Å; K474-Q592 HydrophobicContact CD-CG 3.76Å; K474-Q592 VanDerWaalsContact CE-CG 3.5Å; K474-Q592 HydrophobicContact CG-CG 4.15Å; P560-Q592 WeakPolarHBondContact CA-O 3.35Å; E571-Q592 WeakPolarHBondContact OE2-CB 3.06Å; E571-Q592 WeakPolarHBondContact OE2-CG 3.34Å; E571-Q592 PolarHBondContact OE2-NE2 2.93Å; V572-Q592 PolarHBondContact O-NE2 2.98Å
593K96.6Very high88.9Confident113 Ų11367.4 Ų67.449%0.49132%0.317SS..  trans-113.3131.1-174.8-60.3-178.8174.4-176.60109.4N472 S473 N558 G559N472-K593 WeakPolarHBondContact CA-O 3.23Å; S473-K593 PolarHBondContact N-O 3.14Å; S473-K593 PolarHBondContact OG-N 2.9Å; N558-K593 WeakPolarHBondContact O-CB 3.39Å; N558-K593 WeakPolarHBondContact O-CD 3.32Å; N558-K593 WeakPolarHBondContact O-CG 3.31Å; G559-K593 WeakPolarHBondContact O-CA 3.39Å
594W96.8Very high86.4Confident1 Ų174.3 Ų74.30%0.00434%0.343CS..EExtended strand (participates in β ladder)trans-112.5149.9175.8-65.191.4000110.7V470 R471 N472 F555 N558 G559 I561 L570 V572 L584V470-W594 HydrophobicContact CG1-CE3 3.76Å; V470-W594 HydrophobicContact CG1-CZ3 4.33Å; R471-W594 CarbonylContact O-C 3.43Å; R471-W594 VanDerWaalsContact O-CA 3.3Å; R471-W594 WeakPolarHBondContact O-CA 3.18Å; N472-W594 HydrophobicContact CB-CD2 4.03Å; N472-W594 HydrophobicContact CB-CE3 3.68Å; N472-W594 HydrophobicContact CB-CH2 3.76Å; N472-W594 HydrophobicContact CB-CZ2 4.05Å; N472-W594 HydrophobicContact CB-CZ3 3.57Å; N472-W594 WeakPolarHBondContact ND2-CZ2 3.22Å; N472-W594 PolarHBondContact ND2-NE1 2.89Å; F555-W594 HydrophobicContact CE2-CB 4.1Å; N558-W594 WeakPolarHBondContact CA-O 3.49Å; N558-W594 PolarHBondContact N-O 3.19Å; G559-W594 PolarHBondContact O-N 3.44Å; I561-W594 HydrophobicContact CD1-CB 3.57Å; I561-W594 HydrophobicContact CD1-CD2 3.93Å; I561-W594 HydrophobicContact CD1-CG 3.52Å; I561-W594 HydrophobicContact CG1-CB 3.9Å; I561-W594 HydrophobicContact CG1-CG 3.94Å; L570-W594 HydrophobicContact CB-CZ2 4.45Å; L570-W594 HydrophobicContact CD2-CH2 4.27Å; L570-W594 HydrophobicContact CD2-CZ2 4Å; L570-W594 HydrophobicContact CG-CH2 4.43Å; L570-W594 HydrophobicContact CG-CZ2 3.84Å; L570-W594 PolarHBondContact O-NE1 3.07Å; V572-W594 HydrophobicContact CG2-CH2 3.75Å; V572-W594 HydrophobicContact CG2-CZ2 3.97Å; L584-W594 HydrophobicContact CD1-CH2 3.75Å; L584-W594 HydrophobicContact CD1-CZ2 4.16Å
595M95.9Very high83.4Confident89 Ų8985.9 Ų85.944%0.43840%0.397SS..EExtended strand (participates in β ladder)trans-133.1136.6175.1-176.5-174.3-66.800108.9V470 R471 Q557 N558V470-M595 CarbonylContact C-O 3.49Å; V470-M595 WeakPolarHBondContact CA-O 3.07Å; R471-M595 PolarHBondContact N-O 3.35Å; R471-M595 PolarHBondContact O-N 3.22Å; Q557-M595 VanDerWaalsContact OE1-CG 3.3Å; N558-M595 WeakPolarHBondContact OD1-CE 3.03Å
596I95.4Very high82.8Confident1 Ų190.2 Ų90.21%0.00542%0.417CS..EExtended strand (participates in β ladder)trans-107.4125.6169.8-57.1-177.7000107.4T466 Y467 E469 V470 L511 F555 Q557 N598T466-I596 HydrophobicContact CG2-CB 4.05Å; T466-I596 HydrophobicContact CG2-CD1 3.89Å; T466-I596 HydrophobicContact CG2-CG1 4.48Å; T466-I596 HydrophobicContact CG2-CG2 4.13Å; T466-I596 WeakPolarHBondContact OG1-CB 3.47Å; T466-I596 VanDerWaalsContact OG1-CG2 3.27Å; T466-I596 WeakPolarHBondContact OG1-CG2 3.43Å; Y467-I596 WeakPolarHBondContact O-CG2 3.33Å; E469-I596 WeakPolarHBondContact O-CA 2.98Å; V470-I596 HydrophobicContact CB-CG1 4.46Å; V470-I596 HydrophobicContact CG1-CG1 4.02Å; V470-I596 HydrophobicContact CG2-CD1 4.4Å; V470-I596 HydrophobicContact CG2-CG1 4.02Å; L511-I596 HydrophobicContact CD1-CD1 4.02Å; F555-I596 HydrophobicContact CD1-CD1 4.03Å; F555-I596 HydrophobicContact CE1-CB 4.3Å; F555-I596 HydrophobicContact CE1-CD1 3.62Å; F555-I596 HydrophobicContact CE1-CG1 3.76Å; F555-I596 HydrophobicContact CZ-CB 4.38Å; F555-I596 HydrophobicContact CZ-CD1 4.08Å; F555-I596 HydrophobicContact CZ-CG1 3.76Å; Q557-I596 PolarHBondContact NE2-O 3.13Å; Q557-I596 VanDerWaalsContact NE2-O 3.1Å; Q557-I596 PolarHBondContact OE1-O 3.19Å; I596-N598 PolarHBondContact O-N 2.59Å
597R93Very high82.1Confident129 Ų12994.9 Ų94.949%0.48744%0.438SS..EExtended strand (participates in β ladder)trans-58.9-46.5-162.3-172.5179173.3175.7-4.9115.2E469E469-R597 HydrophobicContact CB-CB 4.4Å; E469-R597 PolarHBondContact O-N 2.69Å; E469-R597 IonicContact OE1-CZ 3.59Å; E469-R597 IonicContact OE1-NH1 3.44Å; E469-R597 PolarHBondContact OE1-NH1 3.23Å
598N93.7Very high81.3Confident6 Ų697.6 Ų97.63%0.03245%0.451CS..EExtended strand (participates in β ladder)trans-116.4160.3-167.4-53-48.7000112.7N419 T466 Y467 I596N419-N598 PolarHBondContact OD1-ND2 2.79Å; T466-N598 VanDerWaalsContact CA-O 3.3Å; T466-N598 WeakPolarHBondContact CA-O 3.49Å; T466-N598 WeakPolarHBondContact CB-O 3.27Å; T466-N598 PolarHBondContact OG1-O 3.44Å; Y467-N598 HydrophobicContact CD1-CB 4.03Å; Y467-N598 HydrophobicContact CD2-CB 3.86Å; Y467-N598 HydrophobicContact CE1-CB 3.69Å; Y467-N598 HydrophobicContact CE2-CB 3.51Å; Y467-N598 WeakPolarHBondContact CE2-ND2 3.11Å; Y467-N598 HydrophobicContact CG-CB 4.11Å; Y467-N598 VanDerWaalsContact CZ-CB 3.43Å; Y467-N598 PolarHBondContact N-O 3.17Å; Y467-N598 WeakPolarHBondContact O-CA 3.49Å; Y467-N598 VanDerWaalsContact O-CB 3.25Å; Y467-N598 WeakPolarHBondContact O-CB 3.34Å; Y467-N598 PolarHBondContact O-N 2.83Å; I596-N598 PolarHBondContact O-N 2.59Å
599W88.6Confident80.5Confident70 Ų7089.9 Ų89.927%0.26543%0.427SS..EExtended strand (participates in β ladder)trans-134.9143.4-176.6-60.988000112.4I465 Q557 P603I465-W599 HydrophobicContact CG2-CE3 4.35Å; I465-W599 HydrophobicContact CG2-CZ3 4.25Å; Q557-W599 HydrophobicContact CB-CH2 4.37Å; Q557-W599 HydrophobicContact CB-CZ2 4.27Å; Q557-W599 VanDerWaalsContact CD-CZ2 3.48Å; Q557-W599 HydrophobicContact CG-CH2 3.18Å; Q557-W599 HydrophobicContact CG-CZ2 3.16Å; Q557-W599 HydrophobicContact CG-CZ3 4.26Å; Q557-W599 VanDerWaalsContact NE2-CZ2 3.28Å; W599-P603 HydrophobicContact CH2-CG 3.85Å; W599-P603 HydrophobicContact CZ3-CG 3.75Å
600I85.2Confident79.5Confident43 Ų4391.9 Ų91.922%0.22143%0.429CS..SBendtrans-93.8-44.7171.6-57.6-174.2000110.6M416 T464 I465 Y467M416-I600 HydrophobicContact CE-CD1 4Å; M416-I600 HydrophobicContact CG-CD1 4.25Å; M416-I600 HydrophobicContact SD-CD1 3.7Å; T464-I600 HydrophobicContact CG2-CD1 3.57Å; T464-I600 HydrophobicContact CG2-CG1 4.37Å; I465-I600 PolarHBondContact O-N 3.03Å; I465-I600 VanDerWaalsContact O-N 3.07Å; Y467-I600 HydrophobicContact CD1-CD1 4.32Å; Y467-I600 HydrophobicContact CD1-CG1 3.8Å; Y467-I600 HydrophobicContact CE1-CD1 4.48Å; Y467-I600 HydrophobicContact CE1-CG1 3.68Å
601R67.8Low78.5Confident207 Ų20793.7 Ų93.778%0.78143%0.428SS*.SBendtrans-130.3125.2174.6-65.5-177.5179.6-179.40.6108.2
602H56.5Low77.4Confident126 Ų12696.4 Ų96.458%0.58342%0.416SS*.  trans-61.3136.5168.9-75.8-69.6000108.6R604H602-R604 PolarHBondContact O-N 3.18Å; H602-R604 VanDerWaalsContact O-N 3.11Å
603P48.6Very low76Confident63 Ų63103.5 Ų103.541%0.40945%0.447SS..  trans-53.5123.6165.9-17.128.8000107W599 H605W599-P603 HydrophobicContact CH2-CG 3.85Å; W599-P603 HydrophobicContact CZ3-CG 3.75Å; P603-H605 PolarHBondContact O-N 2.9Å
604R39.5Very low74.3Confident247 Ų247102.8 Ų102.893%0.93244%0.443SS*.  trans-62.4110.6163.5-71.2-175.4-176.5178.81104.9H602H602-R604 PolarHBondContact O-N 3.18Å; H602-R604 VanDerWaalsContact O-N 3.11Å
605H31Very low72.3Confident251 Ų251112 Ų112100%1.16248%0.483SS*.  trans-61.40175.8-80.1-62.6000111.1P603P603-H605 PolarHBondContact O-N 2.9Å

Retrieved 605 of 605 residues in 1012 ms (Link to these results)

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