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Lactosylceramide 1,3-N-acetyl-beta-D-glucosaminyltransferase

Beta-1,3-N-acetylglucosaminyltransferase that plays a key role in the synthesis of lacto- or neolacto-series carbohydrate chains on glycolipids, notably by participating in biosynthesis of HNK-1 and Lewis X carbohydrate structures. Has strong activity toward lactosylceramide (LacCer) and neolactotetraosylceramide (nLc(4)Cer; paragloboside), resulting in the synthesis of Lc(3)Cer and neolactopentaosylceramide (nLc(5)Cer), respectively. Probably plays a central role in regulating neolacto-series glycolipid synthesis during embryonic development.

AlphaFold DB , UniProt , Accession Q99NB2, Species RAT (Rattus norvegicus, Rat), Gene B3gnt5, Length 377 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
1M36.7Very low54.7Low239 Ų239145.2 Ų145.2100%1.17769%0.691SS**  084.30-156.3175.4-170.800108.9
2R42.9Very low56.5Low223 Ų223147.7 Ų147.784%0.84269%0.688SS**  trans-126.798.5166.9-84.2-174.1178.61790.3105.4F4R2-F4 HydrophobicContact CB-CD2 4.5Å; R2-F4 HydrophobicContact CB-CE2 4.45Å; R2-F4 PolarHBondContact O-N 3.34Å
3V48.1Very low58.1Low124 Ų124150.7 Ų150.775%0.75269%0.69SS**  trans-66.492.5172.8179.50000105.3V5V3-V5 HydrophobicContact CG1-CG2 4.14Å; V3-V5 PolarHBondContact O-N 3.1Å
4F47.9Very low59.6Low184 Ų184148.9 Ų148.981%0.80768%0.683SS**  trans-6491.1165.2-86.4-87.2000106R2 S6R2-F4 HydrophobicContact CB-CD2 4.5Å; R2-F4 HydrophobicContact CB-CE2 4.45Å; R2-F4 PolarHBondContact O-N 3.34Å; F4-S6 PolarHBondContact O-N 3.48Å
5V51Low61.1Low92 Ų92148.2 Ų148.256%0.55868%0.677SS**  trans-60.997.3159.9-179.50000104.4V3 S7 V10V3-V5 HydrophobicContact CG1-CG2 4.14Å; V3-V5 PolarHBondContact O-N 3.1Å; V5-S7 PolarHBondContact O-N 3.25Å; V5-S7 VanDerWaalsContact O-N 3.14Å; V5-V10 HydrophobicContact CG1-CG2 3.83Å
6S54.5Low62.6Low60 Ų60148.3 Ų148.342%0.4268%0.676SS.*  trans-44.3123.2179.31640000109F4 R8 R9F4-S6 PolarHBondContact O-N 3.48Å; S6-R8 PolarHBondContact O-N 3.41Å; S6-R8 WeakPolarHBondContact OG-CB 3.32Å; S6-R8 PolarHBondContact OG-N 3.31Å; S6-R9 PolarHBondContact O-N 3.05Å
7S56.8Low63.7Low81 Ų81146.5 Ų146.557%0.56667%0.668SS**Hα-helixtrans-48.6-27.7176177.50000112V5 R9 V10 K11V5-S7 PolarHBondContact O-N 3.25Å; V5-S7 VanDerWaalsContact O-N 3.14Å; S7-R9 PolarHBondContact O-N 3.28Å; S7-V10 PolarHBondContact O-N 2.61Å; S7-K11 WeakPolarHBondContact O-CG 3.39Å; S7-K11 PolarHBondContact O-N 3.04Å
8R63.3Low64.9Low204 Ų204144.4 Ų144.477%0.7766%0.663SS**Hα-helixtrans-63.3-36173.3-65.6-175.6175.2-177-1.7113.6S6 R12S6-R8 PolarHBondContact O-N 3.41Å; S6-R8 WeakPolarHBondContact OG-CB 3.32Å; S6-R8 PolarHBondContact OG-N 3.31Å; R8-R12 WeakPolarHBondContact O-CG 3.4Å; R8-R12 PolarHBondContact O-N 2.91Å; R8-R12 VanDerWaalsContact O-N 3.08Å
9R61.8Low66Low182 Ų182143.7 Ų143.769%0.68766%0.658SS**Hα-helixtrans-70.7-42.4177.1-90.1-172.2179.4178.10.3112S6 S7 R12 W13S6-R9 PolarHBondContact O-N 3.05Å; S7-R9 PolarHBondContact O-N 3.28Å; R9-R12 PolarHBondContact O-N 3.49Å; R9-W13 PolarHBondContact O-N 2.85Å
10V64.2Low67.1Low68 Ų68138.8 Ų138.841%0.41264%0.644SS.*Hα-helixtrans-63.3-45.2177-1800000110.5V5 S7 R12 W13 Q14V5-V10 HydrophobicContact CG1-CG2 3.83Å; S7-V10 PolarHBondContact O-N 2.61Å; V10-R12 VanDerWaalsContact C-N 3.32Å; V10-R12 PolarHBondContact O-N 2.93Å; V10-W13 PolarHBondContact O-N 2.89Å; V10-Q14 WeakPolarHBondContact O-CG 3.18Å; V10-Q14 PolarHBondContact O-N 3.34Å
11K74.4Confident67.9Low140 Ų140136.1 Ų136.161%0.60963%0.634SS**Hα-helixtrans-60.4-39.4174.8-75.8-173.2177.5-172.40112.7S7 F15S7-K11 WeakPolarHBondContact O-CG 3.39Å; S7-K11 PolarHBondContact O-N 3.04Å; K11-F15 WeakPolarHBondContact O-CB 3.36Å; K11-F15 PolarHBondContact O-N 2.53Å
12R76.2Confident70.1Confident175 Ų175128 Ų12866%0.6660%0.599SS**Hα-helixtrans-62.6-46.3174.6-80.4179.7176.7-177-1.3111.8R8 R9 V10 F15 F16R8-R12 WeakPolarHBondContact O-CG 3.4Å; R8-R12 PolarHBondContact O-N 2.91Å; R8-R12 VanDerWaalsContact O-N 3.08Å; R9-R12 PolarHBondContact O-N 3.49Å; V10-R12 VanDerWaalsContact C-N 3.32Å; V10-R12 PolarHBondContact O-N 2.93Å; R12-F15 WeakPolarHBondContact O-CB 3.34Å; R12-F15 PolarHBondContact O-N 3.36Å; R12-F16 WeakPolarHBondContact O-CD2 3.01Å; R12-F16 PolarHBondContact O-N 3.26Å
13W77.8Confident72.1Confident187 Ų187123.3 Ų123.371%0.70859%0.585SS**Hα-helixtrans-63.4-43.3178.5-92.770.1000112.7R9 V10 F15 F16 H17R9-W13 PolarHBondContact O-N 2.85Å; V10-W13 PolarHBondContact O-N 2.89Å; W13-F15 VanDerWaalsContact C-N 3.3Å; W13-F15 PolarHBondContact O-N 3.29Å; W13-F16 PolarHBondContact O-N 3.02Å; W13-H17 PolarHBondContact O-N 3.46Å
14Q79.4Confident73.6Confident126 Ų126122 Ų12259%0.58957%0.573SS**Hα-helixtrans-61.7-39.8174.3-72.6176-25.800111.7V10 H17 L18V10-Q14 WeakPolarHBondContact O-CG 3.18Å; V10-Q14 PolarHBondContact O-N 3.34Å; Q14-H17 PolarHBondContact O-N 3.36Å; Q14-L18 WeakPolarHBondContact O-CB 3.28Å; Q14-L18 PolarHBondContact O-N 2.87Å
15F82.2Confident74.9Confident138 Ų138117.7 Ų117.761%0.60556%0.558SS**Hα-helixtrans-64.8-42.8175.3-169.4-93.7000112.1K11 R12 W13 L18 F19K11-F15 WeakPolarHBondContact O-CB 3.36Å; K11-F15 PolarHBondContact O-N 2.53Å; R12-F15 WeakPolarHBondContact O-CB 3.34Å; R12-F15 PolarHBondContact O-N 3.36Å; W13-F15 VanDerWaalsContact C-N 3.3Å; W13-F15 PolarHBondContact O-N 3.29Å; F15-L18 PolarHBondContact O-N 3.42Å; F15-F19 VanDerWaalsContact O-CB 3.3Å; F15-F19 WeakPolarHBondContact O-CB 3.29Å; F15-F19 PolarHBondContact O-N 2.98Å
16F84.6Confident76Confident149 Ų149115.7 Ų115.765%0.65455%0.548SS*.Hα-helixtrans-61.9-42173.1-88-72.7000112.1R12 W13 F19 A20R12-F16 WeakPolarHBondContact O-CD2 3.01Å; R12-F16 PolarHBondContact O-N 3.26Å; W13-F16 PolarHBondContact O-N 3.02Å; F16-F19 PolarHBondContact O-N 3.19Å; F16-A20 VanDerWaalsContact O-CB 3.31Å; F16-A20 WeakPolarHBondContact O-CB 3.26Å; F16-A20 PolarHBondContact O-N 2.97Å
17H81.8Confident76.8Confident118 Ų118117 Ų11755%0.54655%0.546SS..Hα-helixtrans-63.8-45.1176.6-117.9-70.6000111.9W13 Q14 F19 A20 I21W13-H17 PolarHBondContact O-N 3.46Å; Q14-H17 PolarHBondContact O-N 3.36Å; H17-F19 VanDerWaalsContact C-N 3.35Å; H17-A20 PolarHBondContact O-N 3.37Å; H17-I21 WeakPolarHBondContact O-CB 3.37Å; H17-I21 VanDerWaalsContact O-CG1 3.24Å; H17-I21 WeakPolarHBondContact O-CG1 3.25Å; H17-I21 PolarHBondContact O-N 2.05Å
18L84.2Confident77.2Confident109 Ų109118.4 Ų118.457%0.57155%0.545SS*.Hα-helixtrans-62.7-44.2176.7-161.488.5000110.5Q14 F15 I21 C22Q14-L18 WeakPolarHBondContact O-CB 3.28Å; Q14-L18 PolarHBondContact O-N 2.87Å; F15-L18 PolarHBondContact O-N 3.42Å; L18-I21 PolarHBondContact O-N 3.08Å; L18-C22 VanDerWaalsContact O-CB 3.3Å; L18-C22 WeakPolarHBondContact O-CB 3.21Å; L18-C22 PolarHBondContact O-N 2.92Å; L18-C22 PolarHBondContact O-SG 2.73Å
19F86.8Confident77.3Confident132 Ų132114.2 Ų114.258%0.57954%0.542SS*.Hα-helixtrans-64.4-40.5177.7-164.6-91.7000111.9F15 F16 H17 C22 F23F15-F19 VanDerWaalsContact O-CB 3.3Å; F15-F19 WeakPolarHBondContact O-CB 3.29Å; F15-F19 PolarHBondContact O-N 2.98Å; F16-F19 PolarHBondContact O-N 3.19Å; H17-F19 VanDerWaalsContact C-N 3.35Å; F19-C22 PolarHBondContact O-N 3.28Å; F19-F23 WeakPolarHBondContact O-CB 3.37Å; F19-F23 PolarHBondContact O-N 3.37Å
20A86.6Confident77.3Confident44 Ų44113.8 Ų113.836%0.36455%0.545SS..Hα-helixtrans-64.8-42.917500000111.9F16 H17 F23 I24F16-A20 VanDerWaalsContact O-CB 3.31Å; F16-A20 WeakPolarHBondContact O-CB 3.26Å; F16-A20 PolarHBondContact O-N 2.97Å; H17-A20 PolarHBondContact O-N 3.37Å; A20-F23 PolarHBondContact O-N 2.86Å; A20-I24 WeakPolarHBondContact O-CB 3.06Å; A20-I24 WeakPolarHBondContact O-CD1 3.44Å; A20-I24 WeakPolarHBondContact O-CG1 3.25Å; A20-I24 PolarHBondContact O-N 2.8Å
21I84.3Confident76.8Confident84 Ų84116.7 Ų116.743%0.43155%0.549SS..Hα-helixtrans-65.5-46.6176-68.8165000110.5H17 L18 F23 I24 L25H17-I21 WeakPolarHBondContact O-CB 3.37Å; H17-I21 VanDerWaalsContact O-CG1 3.24Å; H17-I21 WeakPolarHBondContact O-CG1 3.25Å; H17-I21 PolarHBondContact O-N 2.05Å; L18-I21 PolarHBondContact O-N 3.08Å; I21-F23 VanDerWaalsContact C-N 3.29Å; I21-F23 PolarHBondContact O-N 3.5Å; I21-I24 PolarHBondContact O-N 3.46Å; I21-L25 HydrophobicContact CG2-CD1 3.71Å; I21-L25 HydrophobicContact CG2-CG 4.24Å; I21-L25 WeakPolarHBondContact O-CB 3.08Å; I21-L25 VanDerWaalsContact O-CG 3.29Å; I21-L25 WeakPolarHBondContact O-CG 3.28Å; I21-L25 PolarHBondContact O-N 3.24Å
22C83.5Confident75.8Confident68 Ų68112.2 Ų112.246%0.45954%0.543SS..Hα-helixtrans-62.2-37175-72.70000111.7L18 F19 S26L18-C22 VanDerWaalsContact O-CB 3.3Å; L18-C22 WeakPolarHBondContact O-CB 3.21Å; L18-C22 PolarHBondContact O-N 2.92Å; L18-C22 PolarHBondContact O-SG 2.73Å; F19-C22 PolarHBondContact O-N 3.28Å; C22-S26 WeakPolarHBondContact O-CA 3.36Å; C22-S26 WeakPolarHBondContact O-CB 3.49Å; C22-S26 PolarHBondContact O-N 3.31Å
23F83.9Confident74.7Confident125 Ų125110 Ų11055%0.54855%0.551SS.*Hα-helixtrans-66.7-45.6175-175.7-96.8000110.7F19 A20 I21 S26 F27F19-F23 WeakPolarHBondContact O-CB 3.37Å; F19-F23 PolarHBondContact O-N 3.37Å; A20-F23 PolarHBondContact O-N 2.86Å; I21-F23 VanDerWaalsContact C-N 3.29Å; I21-F23 PolarHBondContact O-N 3.5Å; F23-S26 PolarHBondContact O-N 2.9Å; F23-F27 HydrophobicContact CE1-CD2 4.39Å; F23-F27 HydrophobicContact CZ-CD2 4.37Å; F23-F27 WeakPolarHBondContact O-CB 3.25Å; F23-F27 PolarHBondContact O-N 2.97Å
24I80.9Confident73.7Confident95 Ų95103.2 Ų103.249%0.48753%0.528SS..Hα-helixtrans-62.7-45.5176.1-68.1162.8000111.1A20 I21 F27 M28A20-I24 WeakPolarHBondContact O-CB 3.06Å; A20-I24 WeakPolarHBondContact O-CD1 3.44Å; A20-I24 WeakPolarHBondContact O-CG1 3.25Å; A20-I24 PolarHBondContact O-N 2.8Å; I21-I24 PolarHBondContact O-N 3.46Å; I24-F27 PolarHBondContact O-N 3.34Å; I24-M28 HydrophobicContact CG2-CE 4.43Å; I24-M28 HydrophobicContact CG2-SD 4.13Å; I24-M28 WeakPolarHBondContact O-CB 3.3Å; I24-M28 VanDerWaalsContact O-CG 3.23Å; I24-M28 WeakPolarHBondContact O-CG 3.17Å; I24-M28 PolarHBondContact O-N 3.13Å
25L74.7Confident73.3Confident94 Ų94101.9 Ų101.949%0.49253%0.525SS..Hα-helixtrans-68.1-43.6178.5-71.6173.2000111.7I21 F27 M28 V29I21-L25 HydrophobicContact CG2-CD1 3.71Å; I21-L25 HydrophobicContact CG2-CG 4.24Å; I21-L25 WeakPolarHBondContact O-CB 3.08Å; I21-L25 VanDerWaalsContact O-CG 3.29Å; I21-L25 WeakPolarHBondContact O-CG 3.28Å; I21-L25 PolarHBondContact O-N 3.24Å; L25-F27 VanDerWaalsContact C-N 3.32Å; L25-F27 PolarHBondContact O-N 3.37Å; L25-M28 CarbonylContact O-C 3.6Å; L25-M28 WeakPolarHBondContact O-CB 3.45Å; L25-M28 PolarHBondContact O-N 3.13Å; L25-V29 WeakPolarHBondContact O-CB 3.21Å; L25-V29 WeakPolarHBondContact O-CG2 3.27Å; L25-V29 PolarHBondContact O-N 3.22Å
26S73.6Confident73.1Confident50 Ų50101.7 Ų101.735%0.3553%0.53SS..Hα-helixtrans-61.2-43.2173.4-178.40000110.1C22 F23 M28 V29 F30C22-S26 WeakPolarHBondContact O-CA 3.36Å; C22-S26 WeakPolarHBondContact O-CB 3.49Å; C22-S26 PolarHBondContact O-N 3.31Å; F23-S26 PolarHBondContact O-N 2.9Å; S26-M28 VanDerWaalsContact C-N 3.33Å; S26-M28 PolarHBondContact O-N 3.01Å; S26-V29 PolarHBondContact O-N 2.83Å; S26-V29 VanDerWaalsContact O-N 3.17Å; S26-F30 VanDerWaalsContact O-CB 3.24Å; S26-F30 WeakPolarHBondContact O-CB 3.26Å; S26-F30 WeakPolarHBondContact O-CD2 3.37Å; S26-F30 PolarHBondContact O-N 2.04Å; S26-F30 WeakPolarHBondContact OG-CD2 3.24Å
27F70.8Confident72.9Confident87 Ų87101.4 Ų101.438%0.38253%0.526SS..Hα-helixtrans-61.9-40.8173.8-161.2-98000111.1F23 I24 L25 V29 W31F23-F27 HydrophobicContact CE1-CD2 4.39Å; F23-F27 HydrophobicContact CZ-CD2 4.37Å; F23-F27 WeakPolarHBondContact O-CB 3.25Å; F23-F27 PolarHBondContact O-N 2.97Å; I24-F27 PolarHBondContact O-N 3.34Å; L25-F27 VanDerWaalsContact C-N 3.32Å; L25-F27 PolarHBondContact O-N 3.37Å; F27-V29 VanDerWaalsContact C-N 3.34Å; F27-V29 PolarHBondContact O-N 3.26Å; F27-W31 AromaticContact CD1-CD2 3.88Å; F27-W31 HydrophobicContact CD1-CD2 3.88Å; F27-W31 AromaticContact CD1-CE2 3.86Å; F27-W31 HydrophobicContact CD1-CE3 4.38Å; F27-W31 HydrophobicContact CD1-CG 4.13Å; F27-W31 HydrophobicContact CD1-CZ2 4.41Å; F27-W31 AromaticContact CD1-NE1 3.9Å; F27-W31 AromaticContact CD2-CD1 4Å; F27-W31 AromaticContact CD2-NE1 3.53Å; F27-W31 AromaticContact CE1-CD2 3.53Å; F27-W31 HydrophobicContact CE1-CD2 3.53Å; F27-W31 AromaticContact CE1-CE2 3.23Å; F27-W31 AromaticContact CE1-CE3 3.83Å; F27-W31 HydrophobicContact CE1-CE3 3.83Å; F27-W31 HydrophobicContact CE1-CG 4.23Å; F27-W31 AromaticContact CE1-CH2 3.68Å; F27-W31 HydrophobicContact CE1-CH2 3.68Å; F27-W31 AromaticContact CE1-CZ2 3.37Å; F27-W31 HydrophobicContact CE1-CZ2 3.37Å; F27-W31 AromaticContact CE1-CZ3 3.89Å; F27-W31 HydrophobicContact CE1-CZ3 3.89Å; F27-W31 AromaticContact CE1-NE1 3.64Å; F27-W31 AromaticContact CE2-CE2 3.55Å; F27-W31 AromaticContact CE2-CZ2 3.71Å; F27-W31 HydrophobicContact CE2-CZ2 3.71Å; F27-W31 AromaticContact CE2-NE1 3.25Å; F27-W31 AromaticContact CG-CD1 3.98Å; F27-W31 HydrophobicContact CG-CG 4.46Å; F27-W31 AromaticContact CG-NE1 3.87Å; F27-W31 AromaticContact CZ-CD2 3.92Å; F27-W31 HydrophobicContact CZ-CD2 3.92Å; F27-W31 AromaticContact CZ-CE2 3.09Å; F27-W31 HydrophobicContact CZ-CE3 4.43Å; F27-W31 AromaticContact CZ-CH2 3.61Å; F27-W31 HydrophobicContact CZ-CH2 3.61Å; F27-W31 AromaticContact CZ-CZ2 2.96Å; F27-W31 HydrophobicContact CZ-CZ2 2.96Å; F27-W31 HydrophobicContact CZ-CZ3 4.29Å; F27-W31 AromaticContact CZ-NE1 3.35Å; F27-W31 WeakPolarHBondContact O-CA 3.03Å; F27-W31 WeakPolarHBondContact O-CB 3.1Å; F27-W31 PolarHBondContact O-N 2.84Å
28M66.3Low73.1Confident112 Ų11299 Ų9955%0.55252%0.517SS*.Hα-helixtrans-69.8-23174.4-76.3178.3156.600114.7I24 L25 S26 W31I24-M28 HydrophobicContact CG2-CE 4.43Å; I24-M28 HydrophobicContact CG2-SD 4.13Å; I24-M28 WeakPolarHBondContact O-CB 3.3Å; I24-M28 VanDerWaalsContact O-CG 3.23Å; I24-M28 WeakPolarHBondContact O-CG 3.17Å; I24-M28 PolarHBondContact O-N 3.13Å; L25-M28 CarbonylContact O-C 3.6Å; L25-M28 WeakPolarHBondContact O-CB 3.45Å; L25-M28 PolarHBondContact O-N 3.13Å; S26-M28 VanDerWaalsContact C-N 3.33Å; S26-M28 PolarHBondContact O-N 3.01Å; M28-W31 CarbonylContact C-O 3.54Å
29V65Low73.2Confident115 Ų11597 Ų9770%0.69751%0.505SS*.Hα-helixtrans-95.4-37.6-179.5170.50000111.6L25 S26 F27 W31L25-V29 WeakPolarHBondContact O-CB 3.21Å; L25-V29 WeakPolarHBondContact O-CG2 3.27Å; L25-V29 PolarHBondContact O-N 3.22Å; S26-V29 PolarHBondContact O-N 2.83Å; S26-V29 VanDerWaalsContact O-N 3.17Å; F27-V29 VanDerWaalsContact C-N 3.34Å; F27-V29 PolarHBondContact O-N 3.26Å; V29-W31 CarbonylContact C-O 2.94Å
30F61.1Low73.3Confident173 Ų17392 Ų9276%0.75949%0.486SS*.Hα-helixtrans-84-31.1177.5-84.5-84.4000112.9S26 G32S26-F30 VanDerWaalsContact O-CB 3.24Å; S26-F30 WeakPolarHBondContact O-CB 3.26Å; S26-F30 WeakPolarHBondContact O-CD2 3.37Å; S26-F30 PolarHBondContact O-N 2.04Å; S26-F30 WeakPolarHBondContact OG-CD2 3.24Å; F30-G32 PolarHBondContact O-N 3.16Å
31W54.7Low73.5Confident130 Ų13093.5 Ų93.549%0.49249%0.486SS..SBendtrans-71.6115.4154.6-66.830.3000102.9F27 M28 V29F27-W31 AromaticContact CD1-CD2 3.88Å; F27-W31 HydrophobicContact CD1-CD2 3.88Å; F27-W31 AromaticContact CD1-CE2 3.86Å; F27-W31 HydrophobicContact CD1-CE3 4.38Å; F27-W31 HydrophobicContact CD1-CG 4.13Å; F27-W31 HydrophobicContact CD1-CZ2 4.41Å; F27-W31 AromaticContact CD1-NE1 3.9Å; F27-W31 AromaticContact CD2-CD1 4Å; F27-W31 AromaticContact CD2-NE1 3.53Å; F27-W31 AromaticContact CE1-CD2 3.53Å; F27-W31 HydrophobicContact CE1-CD2 3.53Å; F27-W31 AromaticContact CE1-CE2 3.23Å; F27-W31 AromaticContact CE1-CE3 3.83Å; F27-W31 HydrophobicContact CE1-CE3 3.83Å; F27-W31 HydrophobicContact CE1-CG 4.23Å; F27-W31 AromaticContact CE1-CH2 3.68Å; F27-W31 HydrophobicContact CE1-CH2 3.68Å; F27-W31 AromaticContact CE1-CZ2 3.37Å; F27-W31 HydrophobicContact CE1-CZ2 3.37Å; F27-W31 AromaticContact CE1-CZ3 3.89Å; F27-W31 HydrophobicContact CE1-CZ3 3.89Å; F27-W31 AromaticContact CE1-NE1 3.64Å; F27-W31 AromaticContact CE2-CE2 3.55Å; F27-W31 AromaticContact CE2-CZ2 3.71Å; F27-W31 HydrophobicContact CE2-CZ2 3.71Å; F27-W31 AromaticContact CE2-NE1 3.25Å; F27-W31 AromaticContact CG-CD1 3.98Å; F27-W31 HydrophobicContact CG-CG 4.46Å; F27-W31 AromaticContact CG-NE1 3.87Å; F27-W31 AromaticContact CZ-CD2 3.92Å; F27-W31 HydrophobicContact CZ-CD2 3.92Å; F27-W31 AromaticContact CZ-CE2 3.09Å; F27-W31 HydrophobicContact CZ-CE3 4.43Å; F27-W31 AromaticContact CZ-CH2 3.61Å; F27-W31 HydrophobicContact CZ-CH2 3.61Å; F27-W31 AromaticContact CZ-CZ2 2.96Å; F27-W31 HydrophobicContact CZ-CZ2 2.96Å; F27-W31 HydrophobicContact CZ-CZ3 4.29Å; F27-W31 AromaticContact CZ-NE1 3.35Å; F27-W31 WeakPolarHBondContact O-CA 3.03Å; F27-W31 WeakPolarHBondContact O-CB 3.1Å; F27-W31 PolarHBondContact O-N 2.84Å; M28-W31 CarbonylContact C-O 3.54Å; V29-W31 CarbonylContact C-O 2.94Å
32G52.5Low73.8Confident46 Ų4694.7 Ų94.747%0.47449%0.491SS..  trans-60.2-145.5-174.600000112.7F30 I34F30-G32 PolarHBondContact O-N 3.16Å; G32-I34 VanDerWaalsContact C-N 3.33Å; G32-I34 PolarHBondContact O-N 3.06Å
33P54.6Low74.1Confident128 Ų12896.9 Ų96.983%0.83149%0.493SS*.SBendtrans-55.4110.2164.314.9-12.2000106N35P33-N35 PolarHBondContact O-N 2.89Å
34I55.7Low74.6Confident45 Ų4591 Ų9123%0.23147%0.466CS..  trans-41.2116.6174.2-70.8164.1000104.1G32 N36 I38 M39G32-I34 VanDerWaalsContact C-N 3.33Å; G32-I34 PolarHBondContact O-N 3.06Å; I34-N36 PolarHBondContact O-N 3.38Å; I34-I38 HydrophobicContact CG2-CB 3.85Å; I34-I38 HydrophobicContact CG2-CG2 3.86Å; I34-M39 HydrophobicContact CB-CE 3.92Å; I34-M39 HydrophobicContact CD1-CE 3.59Å; I34-M39 HydrophobicContact CG1-CE 4.35Å; I34-M39 HydrophobicContact CG2-CB 4.14Å; I34-M39 HydrophobicContact CG2-CE 3.98Å
35N71.5Confident75.1Confident97 Ų9794.5 Ų94.552%0.51948%0.475SS..  trans-42.1125-171.2178-12000107.4P33 Y37 I38 M39P33-N35 PolarHBondContact O-N 2.89Å; N35-Y37 CarbonylContact O-C 3.52Å; N35-Y37 PolarHBondContact O-N 2.88Å; N35-Y37 WeakPolarHBondContact OD1-CB 3.17Å; N35-Y37 PolarHBondContact OD1-N 3.19Å; N35-I38 HydrophobicContact CB-CD1 4.18Å; N35-I38 HydrophobicContact CB-CG1 4.22Å; N35-I38 WeakPolarHBondContact O-CA 3.4Å; N35-I38 PolarHBondContact O-N 3.14Å; N35-M39 PolarHBondContact O-N 2.93Å; N35-M39 VanDerWaalsContact O-N 3.15Å
36N78.4Confident76Confident134 Ų13492.6 Ų92.672%0.71747%0.47SS*.Hα-helixtrans-47.6-29.5-175.3-78-37.3000111.7I34 S40I34-N36 PolarHBondContact O-N 3.38Å; N36-S40 WeakPolarHBondContact O-CB 3.37Å; N36-S40 PolarHBondContact O-N 3.48Å; N36-S40 PolarHBondContact O-OG 3.38Å
37Y80.7Confident76.8Confident143 Ų14391.7 Ų91.756%0.56146%0.459SS*.Hα-helixtrans-58.4-54.9168.5-175.7-99.9000114.7N35 M39 S40 H41N35-Y37 CarbonylContact O-C 3.52Å; N35-Y37 PolarHBondContact O-N 2.88Å; N35-Y37 WeakPolarHBondContact OD1-CB 3.17Å; N35-Y37 PolarHBondContact OD1-N 3.19Å; Y37-M39 VanDerWaalsContact C-N 3.3Å; Y37-M39 PolarHBondContact O-N 2.78Å; Y37-S40 PolarHBondContact O-N 2.84Å; Y37-S40 PolarHBondContact O-OG 2.81Å; Y37-H41 AromaticContact CD2-CD2 3.9Å; Y37-H41 AromaticContact CD2-NE2 3.94Å; Y37-H41 AromaticContact CE1-CD2 3.75Å; Y37-H41 AromaticContact CE1-NE2 3.95Å; Y37-H41 AromaticContact CE2-CD2 3.55Å; Y37-H41 AromaticContact CE2-NE2 3.18Å; Y37-H41 WeakPolarHBondContact CE2-NE2 3.21Å; Y37-H41 AromaticContact CZ-CD2 3.47Å; Y37-H41 VanDerWaalsContact CZ-CD2 3.47Å; Y37-H41 AromaticContact CZ-NE2 3.18Å; Y37-H41 PolarHBondContact O-CD2 3.17Å; Y37-H41 VanDerWaalsContact O-CD2 3.25Å; Y37-H41 PolarHBondContact O-N 3.08Å; Y37-H41 PolarHBondContact OH-NE2 3.24Å
38I84.8Confident77.7Confident69 Ų6990.8 Ų90.835%0.35445%0.453SS..Hα-helixtrans-60.1-44.2178.2-62.7172.4000110I34 N35 S40 H41 M42I34-I38 HydrophobicContact CG2-CB 3.85Å; I34-I38 HydrophobicContact CG2-CG2 3.86Å; N35-I38 HydrophobicContact CB-CD1 4.18Å; N35-I38 HydrophobicContact CB-CG1 4.22Å; N35-I38 WeakPolarHBondContact O-CA 3.4Å; N35-I38 PolarHBondContact O-N 3.14Å; I38-S40 PolarHBondContact O-N 3.39Å; I38-H41 PolarHBondContact O-N 3.41Å; I38-M42 HydrophobicContact CG2-CG 4.33Å; I38-M42 HydrophobicContact CG2-SD 4.09Å; I38-M42 WeakPolarHBondContact O-CG 3.28Å; I38-M42 PolarHBondContact O-N 3.04Å
39M86Confident78.9Confident65 Ų6594 Ų9432%0.3246%0.46SS..Hα-helixtrans-62.8-41.1179.7-17464.166.500112.1I34 N35 Y37 M42 K43I34-M39 HydrophobicContact CB-CE 3.92Å; I34-M39 HydrophobicContact CD1-CE 3.59Å; I34-M39 HydrophobicContact CG1-CE 4.35Å; I34-M39 HydrophobicContact CG2-CB 4.14Å; I34-M39 HydrophobicContact CG2-CE 3.98Å; N35-M39 PolarHBondContact O-N 2.93Å; N35-M39 VanDerWaalsContact O-N 3.15Å; Y37-M39 VanDerWaalsContact C-N 3.3Å; Y37-M39 PolarHBondContact O-N 2.78Å; M39-M42 PolarHBondContact O-N 3.39Å; M39-K43 HydrophobicContact CG-CD 4.46Å; M39-K43 WeakPolarHBondContact O-CG 3.48Å; M39-K43 PolarHBondContact O-N 3.24Å
40S89.1Confident80.2Confident27 Ų2794.9 Ų94.919%0.18946%0.46CS..Hα-helixtrans-66.1-42.5177.769.70000111.5N36 Y37 I38 K43 S44N36-S40 WeakPolarHBondContact O-CB 3.37Å; N36-S40 PolarHBondContact O-N 3.48Å; N36-S40 PolarHBondContact O-OG 3.38Å; Y37-S40 PolarHBondContact O-N 2.84Å; Y37-S40 PolarHBondContact O-OG 2.81Å; I38-S40 PolarHBondContact O-N 3.39Å; S40-K43 PolarHBondContact O-N 3.04Å; S40-S44 WeakPolarHBondContact O-CB 3.35Å; S40-S44 PolarHBondContact O-N 3.25Å
41H90.4Very high81.6Confident76 Ų7691.4 Ų91.435%0.35245%0.448SS..Hα-helixtrans-63.4-42.3175-84.1-82.4000112.5Y37 I38 S44 Y45Y37-H41 AromaticContact CD2-CD2 3.9Å; Y37-H41 AromaticContact CD2-NE2 3.94Å; Y37-H41 AromaticContact CE1-CD2 3.75Å; Y37-H41 AromaticContact CE1-NE2 3.95Å; Y37-H41 AromaticContact CE2-CD2 3.55Å; Y37-H41 AromaticContact CE2-NE2 3.18Å; Y37-H41 WeakPolarHBondContact CE2-NE2 3.21Å; Y37-H41 AromaticContact CZ-CD2 3.47Å; Y37-H41 VanDerWaalsContact CZ-CD2 3.47Å; Y37-H41 AromaticContact CZ-NE2 3.18Å; Y37-H41 PolarHBondContact O-CD2 3.17Å; Y37-H41 VanDerWaalsContact O-CD2 3.25Å; Y37-H41 PolarHBondContact O-N 3.08Å; Y37-H41 PolarHBondContact OH-NE2 3.24Å; I38-H41 PolarHBondContact O-N 3.41Å; H41-S44 PolarHBondContact O-N 2.86Å; H41-Y45 VanDerWaalsContact O-CB 3.28Å; H41-Y45 WeakPolarHBondContact O-CB 3.18Å; H41-Y45 PolarHBondContact O-N 3.24Å
42M90.8Very high83.3Confident109 Ų10989.3 Ų89.354%0.53745%0.447SS..Hα-helixtrans-62-44.7175.4-74-17874.400112.1I38 M39 S46I38-M42 HydrophobicContact CG2-CG 4.33Å; I38-M42 HydrophobicContact CG2-SD 4.09Å; I38-M42 WeakPolarHBondContact O-CG 3.28Å; I38-M42 PolarHBondContact O-N 3.04Å; M39-M42 PolarHBondContact O-N 3.39Å; M42-S46 VanDerWaalsContact O-CB 3.29Å; M42-S46 WeakPolarHBondContact O-CB 3.19Å; M42-S46 PolarHBondContact O-N 3.32Å; M42-S46 PolarHBondContact O-OG 3.45Å
43K91Very high85.2Confident115 Ų11588.9 Ų88.950%0.544%0.436SS..Hα-helixtrans-62-44.9176.2-75.6177.2179.9-179.30111.5M39 S40 S46 Y47 P246M39-K43 HydrophobicContact CG-CD 4.46Å; M39-K43 WeakPolarHBondContact O-CG 3.48Å; M39-K43 PolarHBondContact O-N 3.24Å; S40-K43 PolarHBondContact O-N 3.04Å; K43-S46 PolarHBondContact O-N 3.43Å; K43-Y47 VanDerWaalsContact O-CB 3.32Å; K43-Y47 WeakPolarHBondContact O-CB 3.47Å; K43-Y47 PolarHBondContact O-N 2.84Å; K43-P246 HydrophobicContact CB-CB 4.21Å
44S93.6Very high87Confident0 Ų083.5 Ų83.50%040%0.4CS..Hα-helixtrans-64.4-46.8179.7-166.70000112S40 H41 S46 Y47 R48 G225 P246 A247S40-S44 WeakPolarHBondContact O-CB 3.35Å; S40-S44 PolarHBondContact O-N 3.25Å; H41-S44 PolarHBondContact O-N 2.86Å; S44-S46 PolarHBondContact O-N 3.28Å; S44-Y47 PolarHBondContact O-N 2.98Å; S44-R48 WeakPolarHBondContact O-CB 3.08Å; S44-R48 PolarHBondContact O-N 3.29Å; S44-G225 PolarHBondContact OG-O 3.02Å; S44-P246 WeakPolarHBondContact CB-O 3.27Å; S44-P246 PolarHBondContact OG-O 2.89Å; S44-A247 WeakPolarHBondContact OG-CA 3.29Å; S44-A247 WeakPolarHBondContact OG-CB 3.49Å
45Y92.6Very high88.8Confident169 Ų16986.2 Ų86.266%0.66342%0.415SS*.Hα-helixtrans-60.2-45.2175.9-176.1-93.8000111.7H41 R48 Y49H41-Y45 VanDerWaalsContact O-CB 3.28Å; H41-Y45 WeakPolarHBondContact O-CB 3.18Å; H41-Y45 PolarHBondContact O-N 3.24Å; Y45-R48 PolarHBondContact O-N 3.09Å; Y45-Y49 WeakPolarHBondContact O-CB 3.45Å; Y45-Y49 PolarHBondContact O-N 3.23Å
46S92Very high89.7Confident55 Ų5582.3 Ų82.339%0.38539%0.393SS..Hα-helixtrans-63.6-43.4177.8-56.10000111.7M42 K43 S44 Y49 L50M42-S46 VanDerWaalsContact O-CB 3.29Å; M42-S46 WeakPolarHBondContact O-CB 3.19Å; M42-S46 PolarHBondContact O-N 3.32Å; M42-S46 PolarHBondContact O-OG 3.45Å; K43-S46 PolarHBondContact O-N 3.43Å; S44-S46 PolarHBondContact O-N 3.28Å; S46-Y49 PolarHBondContact O-N 3.01Å; S46-L50 VanDerWaalsContact O-CB 3.24Å; S46-L50 WeakPolarHBondContact O-CB 3.34Å; S46-L50 VanDerWaalsContact O-CG 3.27Å; S46-L50 WeakPolarHBondContact O-CG 3.38Å; S46-L50 PolarHBondContact O-N 2.82Å
47Y91.8Very high90.4Very high30 Ų3076 Ų7612%0.11836%0.359CS..Hα-helixtrans-60.6-47.1175.8-178-92.8000111.4K43 S44 Y49 I51 N52 S53 Y54 P246 A247K43-Y47 VanDerWaalsContact O-CB 3.32Å; K43-Y47 WeakPolarHBondContact O-CB 3.47Å; K43-Y47 PolarHBondContact O-N 2.84Å; S44-Y47 PolarHBondContact O-N 2.98Å; Y47-Y49 VanDerWaalsContact C-N 3.32Å; Y47-Y49 PolarHBondContact O-N 3.11Å; Y47-I51 HydrophobicContact CD2-CB 4.19Å; Y47-I51 HydrophobicContact CD2-CD1 3.5Å; Y47-I51 HydrophobicContact CD2-CG1 4.37Å; Y47-I51 HydrophobicContact CE2-CB 4.1Å; Y47-I51 HydrophobicContact CE2-CD1 3.61Å; Y47-I51 HydrophobicContact CE2-CG1 4.45Å; Y47-I51 HydrophobicContact CE2-CG2 3.93Å; Y47-I51 HydrophobicContact CG-CD1 4.46Å; Y47-I51 WeakPolarHBondContact O-CA 3.45Å; Y47-I51 WeakPolarHBondContact O-CB 3.41Å; Y47-I51 PolarHBondContact O-N 3.01Å; Y47-N52 PolarHBondContact O-N 3.18Å; Y47-S53 PolarHBondContact OH-O 2.97Å; Y47-Y54 HydrophobicContact CE1-CE1 4.09Å; Y47-P246 HydrophobicContact CD1-CG 4.28Å; Y47-P246 HydrophobicContact CD2-CG 3.44Å; Y47-P246 VanDerWaalsContact CD2-CG 3.44Å; Y47-P246 HydrophobicContact CE2-CG 4.13Å; Y47-P246 HydrophobicContact CG-CG 3.54Å; Y47-A247 HydrophobicContact CD1-CB 3.76Å; Y47-A247 HydrophobicContact CE1-CB 4.44Å; Y47-A247 HydrophobicContact CG-CB 4.43Å
48R90.3Very high90.8Very high68 Ų6872.4 Ų72.426%0.25735%0.35SS..Hα-helixtrans-64.4-36.2178.7-174.6167.2175.525.2-9112.5S44 Y45 N52 D250S44-R48 WeakPolarHBondContact O-CB 3.08Å; S44-R48 PolarHBondContact O-N 3.29Å; Y45-R48 PolarHBondContact O-N 3.09Å; R48-N52 PolarHBondContact NH1-OD1 3.07Å; R48-N52 WeakPolarHBondContact O-CB 3.27Å; R48-D250 IonicContact CZ-OD1 3.44Å; R48-D250 IonicContact CZ-OD2 3.77Å; R48-D250 IonicContact NE-OD1 3.63Å; R48-D250 PolarHBondContact NE-OD1 3.05Å; R48-D250 IonicContact NE-OD2 2.73Å; R48-D250 IonicContact NH2-OD1 3.34Å; R48-D250 IonicContact NH2-OD2 2.92Å; R48-D250 PolarHBondContact NH2-OD2 2.74Å
49Y90.7Very high91Very high180 Ų18075.5 Ų75.571%0.70637%0.367SS*.Hα-helixtrans-77.5-40.2179.5-176.3-101000112.7Y45 S46 Y47Y45-Y49 WeakPolarHBondContact O-CB 3.45Å; Y45-Y49 PolarHBondContact O-N 3.23Å; S46-Y49 PolarHBondContact O-N 3.01Å; Y47-Y49 VanDerWaalsContact C-N 3.32Å; Y47-Y49 PolarHBondContact O-N 3.11Å
50L92.6Very high91.1Very high133 Ų13375.5 Ų75.570%0.69637%0.373SS*.Hα-helixtrans-93.3-34.5-171.4-62.7172.6000114.1S46S46-L50 VanDerWaalsContact O-CB 3.24Å; S46-L50 WeakPolarHBondContact O-CB 3.34Å; S46-L50 VanDerWaalsContact O-CG 3.27Å; S46-L50 WeakPolarHBondContact O-CG 3.38Å; S46-L50 PolarHBondContact O-N 2.82Å
51I90Very high91.2Very high101 Ų10175.5 Ų75.552%0.51837%0.371SS..THydrogen-bonded Turntrans-109.6-52.2-173.7-64.2167.2000109.9Y47 S53Y47-I51 HydrophobicContact CD2-CB 4.19Å; Y47-I51 HydrophobicContact CD2-CD1 3.5Å; Y47-I51 HydrophobicContact CD2-CG1 4.37Å; Y47-I51 HydrophobicContact CE2-CB 4.1Å; Y47-I51 HydrophobicContact CE2-CD1 3.61Å; Y47-I51 HydrophobicContact CE2-CG1 4.45Å; Y47-I51 HydrophobicContact CE2-CG2 3.93Å; Y47-I51 HydrophobicContact CG-CD1 4.46Å; Y47-I51 WeakPolarHBondContact O-CA 3.45Å; Y47-I51 WeakPolarHBondContact O-CB 3.41Å; Y47-I51 PolarHBondContact O-N 3.01Å; I51-S53 PolarHBondContact O-N 3.41Å
52N89.5Confident91.1Very high86 Ų8673.7 Ų73.746%0.4637%0.367SS..  trans45.628.3179-157.233000115.6Y47 R48Y47-N52 PolarHBondContact O-N 3.18Å; R48-N52 PolarHBondContact NH1-OD1 3.07Å; R48-N52 WeakPolarHBondContact O-CB 3.27Å
53S92.5Very high90.8Very high36 Ų3670.6 Ų70.625%0.25235%0.352SS..  trans-115.8138.3176.7155.40000108.4Y47 I51 D55Y47-S53 PolarHBondContact OH-O 2.97Å; I51-S53 PolarHBondContact O-N 3.41Å; S53-D55 PolarHBondContact OG-N 3.42Å; S53-D55 PolarHBondContact OG-OD2 3.47Å
54Y93.9Very high90.2Very high16 Ų1673.2 Ų73.26%0.06336%0.364CS..  trans-123.526.1179-63.2-86.3000111Y47 F56 V57 A247 Y248 P249Y47-Y54 HydrophobicContact CE1-CE1 4.09Å; Y54-F56 AromaticContact CD1-CE1 3.66Å; Y54-F56 HydrophobicContact CD1-CE1 3.66Å; Y54-F56 AromaticContact CD1-CZ 3.64Å; Y54-F56 HydrophobicContact CD1-CZ 3.64Å; Y54-F56 HydrophobicContact CE1-CZ 4.47Å; Y54-F56 HydrophobicContact CG-CE1 4.29Å; Y54-F56 HydrophobicContact CG-CZ 4.5Å; Y54-F56 PolarHBondContact O-N 3.06Å; Y54-V57 WeakPolarHBondContact O-CB 3.3Å; Y54-V57 VanDerWaalsContact O-CG2 3.29Å; Y54-V57 WeakPolarHBondContact O-CG2 3.29Å; Y54-V57 PolarHBondContact O-N 3.39Å; Y54-A247 HydrophobicContact CE1-CB 4.45Å; Y54-Y248 VanDerWaalsContact CE1-O 3.27Å; Y54-Y248 WeakPolarHBondContact CE1-O 3.15Å; Y54-Y248 PolarHBondContact OH-O 3.34Å; Y54-P249 HydrophobicContact CD1-CB 4.13Å; Y54-P249 HydrophobicContact CD1-CG 3.58Å; Y54-P249 HydrophobicContact CE1-CB 4.33Å; Y54-P249 HydrophobicContact CE1-CG 4.1Å; Y54-P249 HydrophobicContact CG-CB 4.21Å; Y54-P249 HydrophobicContact CG-CG 3.89Å
55D92.3Very high88.8Confident102 Ų10283.3 Ų83.355%0.54541%0.411SS..THydrogen-bonded Turntrans-57.4-24.9-175.5-58.8-33.1000112.7S53 V57 N58 D59S53-D55 PolarHBondContact OG-N 3.42Å; S53-D55 PolarHBondContact OG-OD2 3.47Å; D55-V57 PolarHBondContact O-N 2.95Å; D55-V57 VanDerWaalsContact O-N 3.09Å; D55-N58 WeakPolarHBondContact O-CB 3.48Å; D55-N58 PolarHBondContact O-N 3.22Å; D55-D59 PolarHBondContact O-N 2.88Å
56F91.7Very high87.3Confident15 Ų1580.4 Ų80.47%0.06642%0.415CS..Hα-helixtrans-58.6-21.1173.767.3-101.7000114.7Y54 N58 D59 S60 L61 Y243 W245Y54-F56 AromaticContact CD1-CE1 3.66Å; Y54-F56 HydrophobicContact CD1-CE1 3.66Å; Y54-F56 AromaticContact CD1-CZ 3.64Å; Y54-F56 HydrophobicContact CD1-CZ 3.64Å; Y54-F56 HydrophobicContact CE1-CZ 4.47Å; Y54-F56 HydrophobicContact CG-CE1 4.29Å; Y54-F56 HydrophobicContact CG-CZ 4.5Å; Y54-F56 PolarHBondContact O-N 3.06Å; F56-N58 PolarHBondContact O-N 3.45Å; F56-D59 PolarHBondContact O-N 3.28Å; F56-S60 WeakPolarHBondContact O-CA 3.44Å; F56-S60 WeakPolarHBondContact O-CB 3.22Å; F56-S60 PolarHBondContact O-N 3.27Å; F56-L61 HydrophobicContact CD2-CD1 4.3Å; F56-L61 HydrophobicContact CE2-CD1 4.27Å; F56-L61 PolarHBondContact O-N 2.99Å; F56-Y243 AromaticContact CE2-CE2 3.95Å; F56-Y243 HydrophobicContact CE2-CE2 3.95Å; F56-Y243 AromaticContact CE2-CZ 3.88Å; F56-Y243 WeakPolarHBondContact CE2-OH 3.48Å; F56-Y243 HydrophobicContact CZ-CE2 4.49Å; F56-Y243 AromaticContact CZ-CZ 3.97Å; F56-Y243 WeakPolarHBondContact CZ-OH 3.47Å; F56-W245 HydrophobicContact CB-CD2 4.38Å; F56-W245 VanDerWaalsContact CB-CE2 3.45Å; F56-W245 HydrophobicContact CB-CH2 4.17Å; F56-W245 HydrophobicContact CB-CZ2 3.34Å; F56-W245 AromaticContact CD1-CD1 3.48Å; F56-W245 VanDerWaalsContact CD1-CD1 3.48Å; F56-W245 HydrophobicContact CD1-CD2 4Å; F56-W245 AromaticContact CD1-CE2 3.76Å; F56-W245 AromaticContact CD1-CG 3.88Å; F56-W245 HydrophobicContact CD1-CG 3.88Å; F56-W245 HydrophobicContact CD1-CZ2 4.48Å; F56-W245 AromaticContact CD1-NE1 3.38Å; F56-W245 AromaticContact CD2-CD2 3.39Å; F56-W245 HydrophobicContact CD2-CD2 3.39Å; F56-W245 AromaticContact CD2-CE2 3.34Å; F56-W245 AromaticContact CD2-CE3 3.55Å; F56-W245 HydrophobicContact CD2-CE3 3.55Å; F56-W245 HydrophobicContact CD2-CG 4.08Å; F56-W245 AromaticContact CD2-CH2 3.64Å; F56-W245 HydrophobicContact CD2-CH2 3.64Å; F56-W245 AromaticContact CD2-CZ2 3.49Å; F56-W245 HydrophobicContact CD2-CZ2 3.49Å; F56-W245 VanDerWaalsContact CD2-CZ2 3.49Å; F56-W245 AromaticContact CD2-CZ3 3.66Å; F56-W245 HydrophobicContact CD2-CZ3 3.66Å; F56-W245 AromaticContact CD2-NE1 3.89Å; F56-W245 HydrophobicContact CE1-CB 4.15Å; F56-W245 AromaticContact CE1-CD1 3.63Å; F56-W245 HydrophobicContact CE1-CD2 4.07Å; F56-W245 AromaticContact CE1-CG 3.69Å; F56-W245 HydrophobicContact CE1-CG 3.69Å; F56-W245 AromaticContact CE1-NE1 4Å; F56-W245 HydrophobicContact CE2-CB 4.45Å; F56-W245 AromaticContact CE2-CD2 3.5Å; F56-W245 HydrophobicContact CE2-CD2 3.5Å; F56-W245 AromaticContact CE2-CE2 3.97Å; F56-W245 AromaticContact CE2-CE3 3.5Å; F56-W245 HydrophobicContact CE2-CE3 3.5Å; F56-W245 VanDerWaalsContact CE2-CE3 3.5Å; F56-W245 AromaticContact CE2-CG 3.92Å; F56-W245 HydrophobicContact CE2-CG 3.92Å; F56-W245 HydrophobicContact CE2-CH2 4.4Å; F56-W245 HydrophobicContact CE2-CZ2 4.41Å; F56-W245 AromaticContact CE2-CZ3 3.97Å; F56-W245 HydrophobicContact CE2-CZ3 3.97Å; F56-W245 AromaticContact CG-CD1 3.83Å; F56-W245 AromaticContact CG-CD2 3.67Å; F56-W245 HydrophobicContact CG-CD2 3.67Å; F56-W245 AromaticContact CG-CE2 3.22Å; F56-W245 HydrophobicContact CG-CE3 4.28Å; F56-W245 HydrophobicContact CG-CG 4.07Å; F56-W245 HydrophobicContact CG-CH2 4.17Å; F56-W245 AromaticContact CG-CZ2 3.54Å; F56-W245 HydrophobicContact CG-CZ2 3.54Å; F56-W245 AromaticContact CG-NE1 3.3Å; F56-W245 VanDerWaalsContact CG-NE1 3.3Å; F56-W245 HydrophobicContact CZ-CB 3.96Å; F56-W245 AromaticContact CZ-CD2 3.83Å; F56-W245 HydrophobicContact CZ-CD2 3.83Å; F56-W245 HydrophobicContact CZ-CE3 4.17Å; F56-W245 AromaticContact CZ-CG 3.7Å; F56-W245 HydrophobicContact CZ-CG 3.7Å
57V91.4Very high86.2Confident0 Ų080.3 Ų80.30%041%0.414CS..Hα-helixtrans-59.8-39.9172.9174.60000109.7Y54 D55 L61 P249 L274 L287 N290 K291Y54-V57 WeakPolarHBondContact O-CB 3.3Å; Y54-V57 VanDerWaalsContact O-CG2 3.29Å; Y54-V57 WeakPolarHBondContact O-CG2 3.29Å; Y54-V57 PolarHBondContact O-N 3.39Å; D55-V57 PolarHBondContact O-N 2.95Å; D55-V57 VanDerWaalsContact O-N 3.09Å; V57-L61 HydrophobicContact CG2-CD1 4.47Å; V57-P249 HydrophobicContact CG2-CG 4.23Å; V57-L274 HydrophobicContact CG1-CD1 4.49Å; V57-L274 HydrophobicContact CG1-CD2 4.08Å; V57-L287 HydrophobicContact CG2-CD2 3.69Å; V57-N290 WeakPolarHBondContact CG2-OD1 3.37Å; V57-K291 HydrophobicContact CG1-CB 4.19Å
58N90Very high84.9Confident69 Ų6985.6 Ų85.637%0.36945%0.449SS..Hα-helixtrans-76.3-46.4174.7-72.1-36.4000111.9D55 F56 S62 K291D55-N58 WeakPolarHBondContact O-CB 3.48Å; D55-N58 PolarHBondContact O-N 3.22Å; F56-N58 PolarHBondContact O-N 3.45Å; N58-S62 VanDerWaalsContact O-CB 3.32Å; N58-S62 WeakPolarHBondContact O-CB 3.31Å; N58-S62 PolarHBondContact O-OG 2.89Å; N58-K291 WeakPolarHBondContact OD1-CG 3.33Å; N58-K291 PolarHBondContact OD1-NZ 3.11Å
59D88.8Confident84.1Confident134 Ų13485 Ų8572%0.71745%0.449SS*.Hα-helixtrans-79.5-33.7-169.2-59.8-23.9000114.2D55 F56D55-D59 PolarHBondContact O-N 2.88Å; F56-D59 PolarHBondContact O-N 3.28Å
60S89.1Confident83.6Confident64 Ų6479.7 Ų79.745%0.44844%0.437SS..THydrogen-bonded Turntrans-116.9-26.3-168.3-630000114.6F56 W245F56-S60 WeakPolarHBondContact O-CA 3.44Å; F56-S60 WeakPolarHBondContact O-CB 3.22Å; F56-S60 PolarHBondContact O-N 3.27Å; S60-W245 VanDerWaalsContact CB-CH2 3.5Å
61L89.9Confident83.3Confident28 Ų2881.1 Ų81.115%0.14744%0.44CS..SBendtrans-102.3-9.9-177.2-64178.8000113.9F56 V57 Y243 W245 L274 N275 L287F56-L61 HydrophobicContact CD2-CD1 4.3Å; F56-L61 HydrophobicContact CE2-CD1 4.27Å; F56-L61 PolarHBondContact O-N 2.99Å; V57-L61 HydrophobicContact CG2-CD1 4.47Å; L61-Y243 HydrophobicContact CD1-CD2 4.45Å; L61-Y243 HydrophobicContact CD1-CE2 4.18Å; L61-W245 HydrophobicContact CD1-CZ3 4.26Å; L61-W245 HydrophobicContact CD2-CH2 4.3Å; L61-W245 HydrophobicContact CD2-CZ3 4.01Å; L61-W245 HydrophobicContact CG-CH2 4.26Å; L61-W245 HydrophobicContact CG-CZ3 4.13Å; L61-L274 HydrophobicContact CB-CD2 4.22Å; L61-N275 PolarHBondContact O-N 2.84Å; L61-L287 HydrophobicContact CD1-CD1 4.09Å; L61-L287 HydrophobicContact CD1-CD2 3.83Å
62S88.4Confident83.6Confident37 Ų3778.2 Ų78.226%0.25942%0.424SS..BIsolated β-bridgetrans-63.6144.2172.4-60.30000111.3N58 K64 T273 K291N58-S62 VanDerWaalsContact O-CB 3.32Å; N58-S62 WeakPolarHBondContact O-CB 3.31Å; N58-S62 PolarHBondContact O-OG 2.89Å; S62-K64 PolarHBondContact O-N 3.25Å; S62-T273 CarbonylContact C-O 3.54Å; S62-T273 VanDerWaalsContact CA-O 3.3Å; S62-T273 WeakPolarHBondContact CA-O 3.35Å; S62-K291 PolarHBondContact OG-NZ 3Å
63L84.4Confident83.9Confident44 Ų4476.9 Ų76.923%0.2342%0.42CS..PPolyproline II helixtrans-60.1134.3172.7-69.8171.4000109.8S67 Q69 Q272 T273 N275L63-S67 WeakPolarHBondContact CB-OG 3.48Å; L63-S67 WeakPolarHBondContact CD2-OG 3.34Å; L63-Q69 HydrophobicContact CD1-CG 3.83Å; L63-Q69 VanDerWaalsContact CD2-NE2 3.28Å; L63-Q272 VanDerWaalsContact CD1-O 3.32Å; L63-Q272 WeakPolarHBondContact CD1-O 3.21Å; L63-T273 PolarHBondContact N-O 2.8Å; L63-N275 HydrophobicContact CD2-CB 4.16Å
64K79.2Confident84.2Confident170 Ų17078.5 Ų78.574%0.73942%0.421SS*.PPolyproline II helixtrans-76.4145.6165.5-63.3-177.1-179.8-179.10106.9S62 S66 S67S62-K64 PolarHBondContact O-N 3.25Å; K64-S66 PolarHBondContact O-N 3.29Å; K64-S67 PolarHBondContact O-N 2.97Å; K64-S67 PolarHBondContact O-OG 3.39Å
65H64.3Low84.3Confident213 Ų21381.7 Ų81.799%0.98644%0.439SS*.THydrogen-bonded Turntrans-49-19.8-178.5-76.9-76.1000115.4
66S61.6Low84.6Confident108 Ų10877.4 Ų77.476%0.75542%0.416SS*.THydrogen-bonded Turntrans-92.9-4.717960.70000116.1K64 V68K64-S66 PolarHBondContact O-N 3.29Å; S66-V68 PolarHBondContact O-N 3.45Å
67S68Low84.9Confident53 Ų5378.3 Ų78.337%0.37142%0.421SS..  trans-84.6114.6-179.451.30000111.2L63 K64L63-S67 WeakPolarHBondContact CB-OG 3.48Å; L63-S67 WeakPolarHBondContact CD2-OG 3.34Å; K64-S67 PolarHBondContact O-N 2.97Å; K64-S67 PolarHBondContact O-OG 3.39Å
68V65.5Low85.1Confident140 Ų14079 Ų7985%0.84842%0.424SS*.PPolyproline II helixtrans-80.8119.3172-179.80000108.6S66S66-V68 PolarHBondContact O-N 3.45Å
69Q72.6Confident85.5Confident56 Ų5682.6 Ų82.626%0.26243%0.433SS..PPolyproline II helixtrans-70.6140.5169.3-77.8-65.2-9.800110.2L63 H71 L274 S276L63-Q69 HydrophobicContact CD1-CG 3.83Å; L63-Q69 VanDerWaalsContact CD2-NE2 3.28Å; Q69-H71 PolarHBondContact O-N 3.24Å; Q69-L274 PolarHBondContact NE2-O 3.31Å; Q69-S276 PolarHBondContact NE2-OG 3.46Å; Q69-S276 PolarHBondContact OE1-OG 3.07Å
70P80.6Confident85.9Confident69 Ų6981 Ų8145%0.44842%0.421SS..PPolyproline II helixtrans-56.3122.7173.8-24.935.4000111H72 F169P70-H72 WeakPolarHBondContact CB-NE2 3.41Å; P70-F169 HydrophobicContact CB-CE1 4.31Å; P70-F169 HydrophobicContact CB-CZ 4.49Å; P70-F169 HydrophobicContact CG-CE1 4.1Å; P70-F169 HydrophobicContact CG-CZ 4.13Å
71H86.8Confident86.2Confident163 Ų16379.7 Ų79.776%0.75541%0.407SS*.  trans-89.3115.6173.9-177.771.6000109.6Q69Q69-H71 PolarHBondContact O-N 3.24Å
72H94.5Very high86.6Confident39 Ų3978.4 Ų78.418%0.18140%0.4CS..  trans-108.8106.2176-62.9-68.1000109.8P70 Q158 D159 F160 F169P70-H72 WeakPolarHBondContact CB-NE2 3.41Å; H72-Q158 HydrophobicContact CB-CB 4.15Å; H72-Q158 HydrophobicContact CB-CG 4.42Å; H72-Q158 WeakPolarHBondContact O-CG 3.4Å; H72-Q158 PolarHBondContact O-NE2 2.54Å; H72-Q158 VanDerWaalsContact O-NE2 3.12Å; H72-D159 PolarHBondContact ND1-O 3.12Å; H72-F160 HydrophobicContact CB-CD1 4.24Å; H72-F169 AromaticContact NE2-CD1 3.92Å; H72-F169 AromaticContact NE2-CE1 3.94Å
73P96.5Very high86.8Confident59 Ų5982.4 Ų82.438%0.38342%0.415SS..  trans-65.6153.5177.327.9-35.4000111.1Q158 D159P73-Q158 WeakPolarHBondContact O-CA 3.47Å; P73-D159 HydrophobicContact CG-CB 4.05Å; P73-D159 PolarHBondContact O-N 3.47Å
74Y97.9Very high87.2Confident70 Ų7085.6 Ų85.628%0.27545%0.448SS..EExtended strand (participates in β ladder)trans-72.2130.3171.6-71.5-85.6000110.6N77 Q157 Q158 L173 W177Y74-N77 HydrophobicContact CD1-CB 4.02Å; Y74-N77 HydrophobicContact CG-CB 4.11Å; Y74-Q157 CarbonylContact C-O 3.43Å; Y74-Q157 WeakPolarHBondContact CA-O 3.46Å; Y74-Q158 HydrophobicContact CD1-CG 3.92Å; Y74-Q158 HydrophobicContact CE1-CG 4.12Å; Y74-Q158 HydrophobicContact CG-CG 4.23Å; Y74-L173 HydrophobicContact CD1-CD1 4.15Å; Y74-L173 HydrophobicContact CE1-CD1 3.37Å; Y74-W177 AromaticContact CE1-CD1 3.78Å
75L97.2Very high87.9Confident82 Ų8281.6 Ų81.643%0.42943%0.432SS..EExtended strand (participates in β ladder)trans-94.2-38.2171.3-60.6178.7000111.5T132 Q157 D159L75-T132 HydrophobicContact CD1-CG2 3.36Å; L75-Q157 HydrophobicContact CB-CB 4.34Å; L75-Q157 HydrophobicContact CB-CG 4.33Å; L75-Q157 HydrophobicContact CD1-CG 4.34Å; L75-Q157 PolarHBondContact N-O 3.13Å; L75-D159 HydrophobicContact CD1-CB 4.09Å; L75-D159 HydrophobicContact CD2-CB 4.11Å; L75-D159 HydrophobicContact CG-CB 4.06Å
76I98.1Very high89.4Confident13 Ų1376 Ų767%0.06741%0.409CS..EExtended strand (participates in β ladder)trans-131.8129.7175.1-56.4177.6000107.1L145 I146 D149 I155 I156 Q157I76-L145 HydrophobicContact CD1-CD2 4.41Å; I76-L145 HydrophobicContact CD1-CG 4.35Å; I76-I146 HydrophobicContact CD1-CG1 4.36Å; I76-D149 HydrophobicContact CD1-CB 4.17Å; I76-D149 HydrophobicContact CG2-CB 4.22Å; I76-D149 WeakPolarHBondContact CG2-OD2 3.37Å; I76-I155 HydrophobicContact CB-CG2 4.33Å; I76-I155 HydrophobicContact CD1-CG2 3.97Å; I76-I155 HydrophobicContact CG2-CB 4.39Å; I76-I155 HydrophobicContact CG2-CG2 4.17Å; I76-I155 WeakPolarHBondContact CG2-O 3.21Å; I76-I156 WeakPolarHBondContact O-CA 3.26Å; I76-Q157 HydrophobicContact CB-CB 3.86Å; I76-Q157 HydrophobicContact CD1-CB 4.3Å; I76-Q157 HydrophobicContact CG1-CB 4.09Å; I76-Q157 PolarHBondContact N-O 3.12Å; I76-Q157 PolarHBondContact O-N 3.31Å
77N97.6Very high91.1Very high33 Ų3370.9 Ų70.918%0.17637%0.373CS..  trans-157.1124.8-176.3-173.45.7000111.7Y74 R79 W177Y74-N77 HydrophobicContact CD1-CB 4.02Å; Y74-N77 HydrophobicContact CG-CB 4.11Å; N77-R79 PolarHBondContact ND2-NE 3.15Å; N77-W177 PolarHBondContact OD1-NE1 3.17Å
78H97Very high92.6Very high14 Ų1468.8 Ų68.87%0.06536%0.358CS..  trans-107.472.4178.2-62.7-64.9000111.5E80 K81 D149 H153 I155 W177H78-E80 IonicContact ND1-OE1 2.66Å; H78-E80 PolarHBondContact O-N 3.41Å; H78-K81 HydrophobicContact CB-CB 4.25Å; H78-K81 WeakPolarHBondContact O-CB 3.28Å; H78-K81 PolarHBondContact O-N 2.88Å; H78-D149 IonicContact CD2-OD1 3.6Å; H78-D149 IonicContact CE1-OD1 2.87Å; H78-D149 IonicContact CE1-OD2 3.7Å; H78-D149 PolarHBondContact CE1-OD2 3.39Å; H78-D149 VanDerWaalsContact NE2-CG 3.29Å; H78-D149 IonicContact NE2-OD1 2.72Å; H78-D149 PolarHBondContact NE2-OD1 2.81Å; H78-D149 IonicContact NE2-OD2 3.52Å; H78-D149 PolarHBondContact NE2-OD2 3.28Å; H78-H153 AromaticContact CE1-CD2 3.99Å; H78-I155 PolarHBondContact CD2-O 3.41Å; H78-I155 PolarHBondContact NE2-O 2.73Å; H78-W177 WeakPolarHBondContact O-CZ2 3.06Å
79R97Very high94.2Very high145 Ų14562.1 Ų62.155%0.54732%0.318SS..THydrogen-bonded Turntrans-60.3-18.9-171.7-57.3-179.1-174.2177.74.4113.8N77 Q83 F181N77-R79 PolarHBondContact ND2-NE 3.15Å; R79-Q83 PolarHBondContact O-NE2 3.26Å; R79-F181 HydrophobicContact CB-CD1 3.71Å; R79-F181 HydrophobicContact CB-CE1 3.8Å; R79-F181 HydrophobicContact CB-CG 4.34Å; R79-F181 HydrophobicContact CB-CZ 4.47Å; R79-F181 HydrophobicContact CG-CD1 3.91Å; R79-F181 HydrophobicContact CG-CE1 3.51Å; R79-F181 HydrophobicContact CG-CE2 4.33Å; R79-F181 HydrophobicContact CG-CG 4.48Å; R79-F181 HydrophobicContact CG-CZ 3.75Å
80E97Very high95.4Very high100 Ų10059.5 Ų59.547%0.46731%0.305SS..THydrogen-bonded Turntrans-90.9-10.5-177.669.2-69.4162.500114.1H78 C82 Q83H78-E80 IonicContact ND1-OE1 2.66Å; H78-E80 PolarHBondContact O-N 3.41Å; E80-C82 PolarHBondContact O-N 3.28Å; E80-Q83 HydrophobicContact CB-CG 4.46Å; E80-Q83 WeakPolarHBondContact O-CB 3.3Å; E80-Q83 PolarHBondContact O-N 3.44Å
81K96.5Very high96.3Very high38 Ų3856.2 Ų56.217%0.16528%0.284CS..THydrogen-bonded Turntrans-52.8-34-173.1-17775.5174.7-175.40114.1H78 E113 K125 L127 W177H78-K81 HydrophobicContact CB-CB 4.25Å; H78-K81 WeakPolarHBondContact O-CB 3.28Å; H78-K81 PolarHBondContact O-N 2.88Å; K81-E113 VanDerWaalsContact CE-OE1 3.32Å; K81-E113 WeakPolarHBondContact CE-OE1 3.44Å; K81-E113 IonicContact NZ-OE1 3.57Å; K81-E113 PolarHBondContact NZ-OE1 3.38Å; K81-E113 IonicContact NZ-OE2 2.74Å; K81-K125 HydrophobicContact CD-CD 4.37Å; K81-K125 HydrophobicContact CG-CB 4.41Å; K81-K125 HydrophobicContact CG-CD 4.25Å; K81-K125 HydrophobicContact CG-CG 4.5Å; K81-L127 HydrophobicContact CD-CD2 4.36Å; K81-L127 HydrophobicContact CG-CD2 4.12Å; K81-L127 HydrophobicContact CG-CG 4.45Å; K81-W177 HydrophobicContact CB-CH2 4.09Å; K81-W177 HydrophobicContact CB-CZ2 4.31Å
82C97.2Very high96.9Very high0 Ų048.4 Ų48.40%025%0.248CC..THydrogen-bonded Turntrans-106.34177.3-63.80000114.4E80 A84 V87 C182 H184E80-C82 PolarHBondContact O-N 3.28Å; C82-A84 PolarHBondContact O-N 3.4Å; C82-V87 HydrophobicContact CB-CG2 4.36Å; C82-C182 HydrophobicContact CB-CB 3.67Å; C82-C182 WeakPolarHBondContact CB-SG 3.21Å; C82-C182 WeakPolarHBondContact SG-CB 3.21Å; C82-C182 CovalentContact SG-SG 2.04Å; C82-C182 PolarHBondContact SG-SG 3.3Å; C82-H184 PolarHBondContact O-CE1 3.39Å; C82-H184 PolarHBondContact O-NE2 3.33Å; C82-H184 VanDerWaalsContact O-NE2 3.13Å
83Q94.4Very high97.1Very high121 Ų12146.6 Ų46.657%0.56524%0.239SC*.THydrogen-bonded Turntrans-67.2137.7-174-76.1178.89.300112.1R79 E80 Q85R79-Q83 PolarHBondContact O-NE2 3.26Å; E80-Q83 HydrophobicContact CB-CG 4.46Å; E80-Q83 WeakPolarHBondContact O-CB 3.3Å; E80-Q83 PolarHBondContact O-N 3.44Å; Q83-Q85 WeakPolarHBondContact O-CG 3.37Å; Q83-Q85 PolarHBondContact O-N 2.88Å
84A91Very high97.2Very high112 Ų11244.1 Ų44.193%0.92622%0.223SC*.THydrogen-bonded Turntrans55.632.5174.500000114.8C82C82-A84 PolarHBondContact O-N 3.4Å
85Q94.2Very high97.2Very high86 Ų8640.9 Ų40.940%0.40221%0.21SC..SBendtrans-132.3149.2-179.8-68.2175.83.400110.5Q83 V87 H184Q83-Q85 WeakPolarHBondContact O-CG 3.37Å; Q83-Q85 PolarHBondContact O-N 2.88Å; Q85-V87 HydrophobicContact CB-CG2 4.34Å; Q85-H184 PolarHBondContact O-CD2 3.33Å; Q85-H184 PolarHBondContact O-NE2 2.95Å
86D96.1Very high97.2Very high95 Ų9538 Ų3851%0.50820%0.199SC..  trans-89.4115.6167.1-175.511.2000108.3N123 R186D86-N123 VanDerWaalsContact O-CB 3.31Å; D86-N123 WeakPolarHBondContact O-CB 3.46Å; D86-N123 PolarHBondContact O-ND2 2.75Å; D86-R186 IonicContact OD1-CZ 3.38Å; D86-R186 IonicContact OD1-NE 3.09Å; D86-R186 PolarHBondContact OD1-NE 3.25Å; D86-R186 IonicContact OD1-NH2 3.9Å; D86-R186 PolarHBondContact OD1-NH2 2.95Å; D86-R186 IonicContact OD2-CZ 3.91Å; D86-R186 IonicContact OD2-NE 3.97Å; D86-R186 IonicContact OD2-NH2 3.41Å; D86-R186 PolarHBondContact OD2-NH2 3.48Å
87V98.5Very high97.1Very high0 Ų037.5 Ų37.50%020%0.196CC..  trans-109.7114-173.4178.70000109C82 Q85 L89 K125 A185 R186C82-V87 HydrophobicContact CB-CG2 4.36Å; Q85-V87 HydrophobicContact CB-CG2 4.34Å; V87-L89 WeakPolarHBondContact CG1-O 3.33Å; V87-K125 HydrophobicContact CG1-CB 4.48Å; V87-K125 HydrophobicContact CG1-CG 4.07Å; V87-K125 HydrophobicContact CG2-CG 4.01Å; V87-A185 HydrophobicContact CB-CB 4.12Å; V87-A185 HydrophobicContact CG1-CB 3.89Å; V87-A185 WeakPolarHBondContact O-CA 3.26Å; V87-R186 PolarHBondContact O-N 3.12Å
88L98.7Very high97.1Very high10 Ų1039 Ų395%0.05220%0.202CC..SBendtrans-68.3-48.8174.5176.365.5000110.3A122 N123 F187 I203 L206 Q207 E210L88-A122 HydrophobicContact CD2-CB 3.81Å; L88-N123 PolarHBondContact N-O 3.24Å; L88-F187 HydrophobicContact CD1-CD2 4.02Å; L88-F187 HydrophobicContact CD1-CE2 4.07Å; L88-F187 PolarHBondContact O-N 2.87Å; L88-I203 HydrophobicContact CD2-CD1 4.17Å; L88-I203 HydrophobicContact CD2-CG2 4.3Å; L88-L206 HydrophobicContact CD1-CB 4.49Å; L88-L206 HydrophobicContact CD2-CB 4.39Å; L88-Q207 HydrophobicContact CD2-CG 3.88Å; L88-E210 HydrophobicContact CD1-CB 4.33Å; L88-E210 WeakPolarHBondContact CD1-OE1 3.22Å
89L98.8Very high97Very high0 Ų040.2 Ų40.20%021%0.209CC..EExtended strand (participates in β ladder)trans-135.2122.4-173.9178.164.6000111.2V87 L91 I124 K125 F187 M189 L202 L206V87-L89 WeakPolarHBondContact CG1-O 3.33Å; L89-L91 HydrophobicContact CD2-CB 4.37Å; L89-L91 HydrophobicContact CG-CB 4.31Å; L89-I124 HydrophobicContact CB-CB 4.22Å; L89-I124 HydrophobicContact CB-CG2 3.75Å; L89-I124 HydrophobicContact CD2-CG2 4.44Å; L89-I124 CarbonylContact O-C 3.6Å; L89-I124 VanDerWaalsContact O-CA 3.25Å; L89-I124 WeakPolarHBondContact O-CA 3.47Å; L89-I124 WeakPolarHBondContact O-CB 3.34Å; L89-K125 PolarHBondContact O-N 3.24Å; L89-F187 WeakPolarHBondContact CA-O 3.43Å; L89-F187 HydrophobicContact CD1-CB 3.98Å; L89-M189 HydrophobicContact CD1-CB 3.71Å; L89-L202 HydrophobicContact CD2-CD2 3.86Å; L89-L206 HydrophobicContact CB-CD1 4.16Å; L89-L206 HydrophobicContact CD1-CD1 3.89Å; L89-L206 HydrophobicContact CD2-CD1 3.93Å; L89-L206 HydrophobicContact CG-CD1 4.22Å
90L98.8Very high97.1Very high0 Ų036.8 Ų36.80%020%0.196CC..EExtended strand (participates in β ladder)trans-95.1114.7161.1177.161.8000108.8F92 K125 L127 W177 A178 C182 A185 F187 L188 M189L90-F92 HydrophobicContact CD1-CZ 4.48Å; L90-F92 HydrophobicContact CD2-CE2 3.71Å; L90-F92 HydrophobicContact CD2-CZ 3.92Å; L90-F92 HydrophobicContact CG-CD2 4.42Å; L90-F92 HydrophobicContact CG-CE2 4.01Å; L90-F92 HydrophobicContact CG-CZ 4.29Å; L90-K125 HydrophobicContact CD1-CB 3.95Å; L90-L127 HydrophobicContact CD1-CD1 4.2Å; L90-W177 HydrophobicContact CD1-CZ3 4.1Å; L90-W177 HydrophobicContact CD2-CE3 4.09Å; L90-W177 HydrophobicContact CD2-CZ3 3.84Å; L90-A178 HydrophobicContact CD2-CB 3.77Å; L90-C182 HydrophobicContact CD2-CB 3.77Å; L90-A185 HydrophobicContact CB-CB 3.85Å; L90-F187 PolarHBondContact N-O 3.47Å; L90-L188 HydrophobicContact CD2-CD1 4.03Å; L90-L188 HydrophobicContact CG-CD1 4.39Å; L90-L188 CarbonylContact O-C 3.51Å; L90-L188 WeakPolarHBondContact O-CA 3.31Å; L90-M189 PolarHBondContact O-N 3.08Å
91L98.8Very high97.1Very high0 Ų038.4 Ų38.40%020%0.204CC..EExtended strand (participates in β ladder)trans-111112.2-177.4173.158000110.5L89 I93 W110 K125 I126 L127 M189 A191 I197 M199L89-L91 HydrophobicContact CD2-CB 4.37Å; L89-L91 HydrophobicContact CG-CB 4.31Å; L91-I93 HydrophobicContact CG-CG1 4.37Å; L91-W110 HydrophobicContact CD2-CE3 4.24Å; L91-W110 HydrophobicContact CD2-CZ3 3.62Å; L91-K125 PolarHBondContact N-O 2.99Å; L91-I126 HydrophobicContact CB-CG1 4.12Å; L91-I126 HydrophobicContact CD2-CD1 4.32Å; L91-I126 HydrophobicContact CD2-CG1 4.18Å; L91-I126 HydrophobicContact CG-CG1 4.38Å; L91-I126 WeakPolarHBondContact O-CA 3.48Å; L91-L127 PolarHBondContact O-N 3.35Å; L91-M189 WeakPolarHBondContact CA-O 3.38Å; L91-M189 HydrophobicContact CD1-CB 3.66Å; L91-M189 HydrophobicContact CD1-CG 3.51Å; L91-M189 HydrophobicContact CD1-SD 3.82Å; L91-A191 HydrophobicContact CD1-CB 4.36Å; L91-I197 HydrophobicContact CD1-CD1 4.1Å; L91-I197 HydrophobicContact CD2-CD1 3.88Å; L91-M199 HydrophobicContact CD2-CE 4.01Å
92F98.8Very high97.2Very high0 Ų040 Ų400%021%0.209CC..EExtended strand (participates in β ladder)trans-91.5135170.6-73.9-65000112L90 L127 A129 I156 Q174 W177 A178 L188 M189 T190 A191L90-F92 HydrophobicContact CD1-CZ 4.48Å; L90-F92 HydrophobicContact CD2-CE2 3.71Å; L90-F92 HydrophobicContact CD2-CZ 3.92Å; L90-F92 HydrophobicContact CG-CD2 4.42Å; L90-F92 HydrophobicContact CG-CE2 4.01Å; L90-F92 HydrophobicContact CG-CZ 4.29Å; F92-L127 CarbonylContact C-O 3.56Å; F92-L127 WeakPolarHBondContact CA-O 3.27Å; F92-L127 HydrophobicContact CD1-CB 3.66Å; F92-L127 HydrophobicContact CE1-CB 3.59Å; F92-L127 HydrophobicContact CE1-CD1 3.65Å; F92-L127 HydrophobicContact CE1-CG 4.26Å; F92-L127 HydrophobicContact CZ-CD1 4.26Å; F92-A129 HydrophobicContact CD1-CB 4.47Å; F92-I156 HydrophobicContact CD1-CD1 3.96Å; F92-I156 HydrophobicContact CE1-CD1 3.31Å; F92-I156 HydrophobicContact CE1-CG1 4.26Å; F92-I156 HydrophobicContact CZ-CD1 4.07Å; F92-Q174 HydrophobicContact CB-CB 4.36Å; F92-Q174 HydrophobicContact CB-CG 3.71Å; F92-Q174 HydrophobicContact CD1-CB 4.49Å; F92-Q174 HydrophobicContact CD1-CG 4.01Å; F92-Q174 HydrophobicContact CD2-CB 3.6Å; F92-Q174 HydrophobicContact CD2-CG 3.85Å; F92-Q174 HydrophobicContact CE2-CB 3.87Å; F92-Q174 HydrophobicContact CE2-CG 4.41Å; F92-Q174 WeakPolarHBondContact CE2-O 2.94Å; F92-Q174 HydrophobicContact CG-CB 3.91Å; F92-Q174 HydrophobicContact CG-CG 3.59Å; F92-Q174 HydrophobicContact CZ-CB 4.45Å; F92-W177 HydrophobicContact CE1-CE3 4.24Å; F92-W177 HydrophobicContact CZ-CB 4.17Å; F92-W177 HydrophobicContact CZ-CD2 4.11Å; F92-W177 AromaticContact CZ-CE3 3.58Å; F92-W177 HydrophobicContact CZ-CE3 3.58Å; F92-W177 HydrophobicContact CZ-CG 4.37Å; F92-W177 HydrophobicContact CZ-CZ3 4.34Å; F92-A178 HydrophobicContact CE2-CB 4.11Å; F92-L188 HydrophobicContact CD2-CD1 3.83Å; F92-L188 HydrophobicContact CD2-CG 4.48Å; F92-L188 HydrophobicContact CE2-CD1 3.67Å; F92-M189 PolarHBondContact N-O 2.71Å; F92-T190 CarbonylContact O-C 3.55Å; F92-T190 WeakPolarHBondContact O-CA 3.33Å; F92-A191 PolarHBondContact O-N 2.89Å
93I98.7Very high97.2Very high0 Ų040.1 Ų40.10%021%0.209CC..EExtended strand (participates in β ladder)trans-114.3114.6177.9-56.8163.4000108.6L91 T95 I106 W110 I126 L127 F128 A129 A191 D193L91-I93 HydrophobicContact CG-CG1 4.37Å; I93-T95 PolarHBondContact O-N 3.04Å; I93-I106 HydrophobicContact CD1-CD1 4.35Å; I93-I106 HydrophobicContact CD1-CG2 3.73Å; I93-I106 HydrophobicContact CG2-CD1 3.95Å; I93-W110 HydrophobicContact CD1-CH2 3.65Å; I93-W110 HydrophobicContact CD1-CZ3 3.86Å; I93-W110 HydrophobicContact CG1-CH2 3.93Å; I93-W110 HydrophobicContact CG1-CZ3 4.33Å; I93-I126 HydrophobicContact CD1-CG2 3.37Å; I93-I126 HydrophobicContact CG1-CG2 4.27Å; I93-L127 PolarHBondContact N-O 3.15Å; I93-F128 HydrophobicContact CB-CD1 3.67Å; I93-F128 HydrophobicContact CB-CE1 3.98Å; I93-F128 HydrophobicContact CD1-CD1 3.86Å; I93-F128 HydrophobicContact CD1-CE1 3.39Å; I93-F128 HydrophobicContact CD1-CZ 3.87Å; I93-F128 HydrophobicContact CG1-CD1 4.39Å; I93-F128 HydrophobicContact CG1-CE1 4.31Å; I93-F128 HydrophobicContact CG2-CD1 3.79Å; I93-F128 HydrophobicContact CG2-CE1 3.9Å; I93-A129 PolarHBondContact O-N 3.01Å; I93-A191 CarbonylContact C-O 3.58Å; I93-A191 WeakPolarHBondContact CA-O 3.37Å; I93-D193 HydrophobicContact CG2-CB 3.99Å
94K98.5Very high97.4Very high7 Ų734.7 Ų34.73%0.0319%0.185CC..EExtended strand (participates in β ladder)trans-75.7111.6173.9-67.3-178.1-78155.10108.9K170 A191 D192 D193 G254 D281K94-K170 HydrophobicContact CB-CD 3.94Å; K94-K170 HydrophobicContact CD-CD 4.43Å; K94-K170 HydrophobicContact CG-CD 3.83Å; K94-K170 HydrophobicContact CG-CG 4.29Å; K94-A191 PolarHBondContact N-O 3.37Å; K94-D192 WeakPolarHBondContact CE-OD1 3.17Å; K94-D192 IonicContact NZ-OD1 3.27Å; K94-D192 PolarHBondContact NZ-OD1 3.23Å; K94-D192 IonicContact NZ-OD2 2.73Å; K94-D193 PolarHBondContact O-N 3.25Å; K94-G254 PolarHBondContact NZ-O 3.18Å; K94-D281 IonicContact NZ-OD2 2.75Å; K94-D281 PolarHBondContact NZ-OD2 3.31Å
95T98.1Very high97.7Very high3 Ų330 Ų302%0.01815%0.146CC..  trans-139.3155.8-178.6-174.30000110.2I93 R103 F128 L130 K170 D193I93-T95 PolarHBondContact O-N 3.04Å; T95-R103 HydrophobicContact CG2-CG 3.91Å; T95-R103 PolarHBondContact OG1-NH1 2.99Å; T95-F128 HydrophobicContact CG2-CB 3.91Å; T95-F128 HydrophobicContact CG2-CD1 3.89Å; T95-F128 HydrophobicContact CG2-CG 4.32Å; T95-L130 HydrophobicContact CG2-CD1 3.95Å; T95-L130 HydrophobicContact CG2-CD2 4.01Å; T95-L130 HydrophobicContact CG2-CG 3.82Å; T95-K170 PolarHBondContact O-NZ 3.45Å; T95-D193 WeakPolarHBondContact CA-OD2 3.48Å; T95-D193 WeakPolarHBondContact CB-OD2 3.42Å; T95-D193 PolarHBondContact OG1-OD2 3.15Å
96A97.1Very high98Very high22 Ų2226 Ų2618%0.18213%0.127CC..  trans-95.1152.5176.700000110.1E98 N99 R103A96-E98 WeakPolarHBondContact CB-OE2 3.43Å; A96-E98 PolarHBondContact O-N 2.92Å; A96-N99 WeakPolarHBondContact O-CB 3.46Å; A96-N99 PolarHBondContact O-N 2.93Å; A96-R103 PolarHBondContact O-NH1 3.02Å
97P97.2Very high98.1Very high1 Ų122.9 Ų22.91%0.00611%0.109CC..THydrogen-bonded Turntrans-54.5-31.4-176.5-29.937.2000114.2N99 R103 L130 P133 L141 D162P97-N99 VanDerWaalsContact C-N 3.29Å; P97-N99 PolarHBondContact O-N 3.25Å; P97-R103 PolarHBondContact O-NH2 3.36Å; P97-L130 HydrophobicContact CB-CD2 4.32Å; P97-L130 HydrophobicContact CG-CD2 4.1Å; P97-P133 HydrophobicContact CB-CG 3.84Å; P97-P133 HydrophobicContact CG-CG 4.13Å; P97-L141 HydrophobicContact CB-CD2 3.86Å; P97-L141 HydrophobicContact CB-CG 4.11Å; P97-D162 HydrophobicContact CG-CB 4.15Å
98E95.7Very high98Very high65 Ų6529 Ų2930%0.30414%0.135SC..THydrogen-bonded Turntrans-72.8-21.2-178.6-46.272.9-166.800113.2A96 Y100 K137 L141A96-E98 WeakPolarHBondContact CB-OE2 3.43Å; A96-E98 PolarHBondContact O-N 2.92Å; E98-Y100 PolarHBondContact O-N 3Å; E98-K137 HydrophobicContact CG-CD 3.78Å; E98-K137 WeakPolarHBondContact OE1-CD 3.39Å; E98-K137 WeakPolarHBondContact OE1-CE 3.25Å; E98-K137 IonicContact OE1-NZ 3.22Å; E98-K137 PolarHBondContact OE1-NZ 2.84Å; E98-K137 IonicContact OE2-NZ 2.69Å; E98-L141 HydrophobicContact CB-CD2 4.33Å; E98-L141 HydrophobicContact CG-CD2 3.64Å
99N96.8Very high98Very high39 Ų3928.7 Ų28.721%0.20913%0.134CC..  trans-83.342.4-169.8-68.9-11.3000113.2A96 P97 E101 R102 R103 D193A96-N99 WeakPolarHBondContact O-CB 3.46Å; A96-N99 PolarHBondContact O-N 2.93Å; P97-N99 VanDerWaalsContact C-N 3.29Å; P97-N99 PolarHBondContact O-N 3.25Å; N99-E101 VanDerWaalsContact C-N 3.28Å; N99-E101 PolarHBondContact O-N 3.05Å; N99-R102 HydrophobicContact CB-CB 4.15Å; N99-R102 HydrophobicContact CB-CG 4.13Å; N99-R102 PolarHBondContact O-N 3.4Å; N99-R102 VanDerWaalsContact O-N 3.09Å; N99-R103 PolarHBondContact O-N 3.43Å; N99-R103 VanDerWaalsContact O-N 3.13Å; N99-R103 PolarHBondContact O-NH1 3.36Å; N99-D193 WeakPolarHBondContact CB-OD2 3.17Å; N99-D193 PolarHBondContact ND2-OD2 3.07Å
100Y97.2Very high97.9Very high73 Ų7328.7 Ų28.729%0.28613%0.134SC..Hα-helixtrans-52-46.7177.4173.9-94.8000112E98 R102 R103 S104 E148E98-Y100 PolarHBondContact O-N 3Å; Y100-R102 VanDerWaalsContact C-N 3.29Å; Y100-R102 PolarHBondContact O-N 3.3Å; Y100-R103 PolarHBondContact O-N 2.56Å; Y100-S104 WeakPolarHBondContact O-CB 3.43Å; Y100-S104 PolarHBondContact O-N 3.04Å; Y100-E148 HydrophobicContact CD2-CG 4.12Å; Y100-E148 WeakPolarHBondContact CD2-OE2 3.43Å; Y100-E148 HydrophobicContact CE2-CB 4.35Å; Y100-E148 HydrophobicContact CE2-CG 3.93Å
101E97.6Very high97.9Very high135 Ų13529.1 Ų29.163%0.63114%0.138SC*.Hα-helixtrans-64.5-32.5-179.1-64.6-55.8151.400112.9N99 A105N99-E101 VanDerWaalsContact C-N 3.28Å; N99-E101 PolarHBondContact O-N 3.05Å; E101-A105 WeakPolarHBondContact O-CB 3.16Å; E101-A105 PolarHBondContact O-N 3.13Å
102R98.1Very high97.9Very high71 Ų7131.8 Ų31.827%0.26815%0.152SC..Hα-helixtrans-69-46.4175.6-60-172.1-178-171.3-4.6110.7N99 Y100 S104 A105 I106 D193 S325N99-R102 HydrophobicContact CB-CB 4.15Å; N99-R102 HydrophobicContact CB-CG 4.13Å; N99-R102 PolarHBondContact O-N 3.4Å; N99-R102 VanDerWaalsContact O-N 3.09Å; Y100-R102 VanDerWaalsContact C-N 3.29Å; Y100-R102 PolarHBondContact O-N 3.3Å; R102-S104 VanDerWaalsContact C-N 3.33Å; R102-S104 PolarHBondContact O-N 3.08Å; R102-A105 PolarHBondContact O-N 2.65Å; R102-I106 VanDerWaalsContact O-CG1 3.29Å; R102-I106 WeakPolarHBondContact O-CG1 3.37Å; R102-I106 PolarHBondContact O-N 2.98Å; R102-D193 HydrophobicContact CB-CB 4.32Å; R102-D193 VanDerWaalsContact CD-CG 3.46Å; R102-D193 VanDerWaalsContact CD-OD1 3.23Å; R102-D193 WeakPolarHBondContact CD-OD1 3.25Å; R102-D193 IonicContact CZ-OD1 2.87Å; R102-D193 IonicContact NE-OD1 3.78Å; R102-D193 IonicContact NH1-OD1 3.35Å; R102-D193 PolarHBondContact NH1-OD1 2.93Å; R102-S325 VanDerWaalsContact CZ-OG 3.31Å; R102-S325 PolarHBondContact NH2-OG 3.28Å
103R98.3Very high97.8Very high3 Ų333.7 Ų33.71%0.01116%0.161CC..Hα-helixtrans-58.9-45.4174.4-62.4-170.6-72.9-80.87.9111.4T95 A96 P97 N99 Y100 A105 I106 R107 F128 E148T95-R103 HydrophobicContact CG2-CG 3.91Å; T95-R103 PolarHBondContact OG1-NH1 2.99Å; A96-R103 PolarHBondContact O-NH1 3.02Å; P97-R103 PolarHBondContact O-NH2 3.36Å; N99-R103 PolarHBondContact O-N 3.43Å; N99-R103 VanDerWaalsContact O-N 3.13Å; N99-R103 PolarHBondContact O-NH1 3.36Å; Y100-R103 PolarHBondContact O-N 2.56Å; R103-A105 PolarHBondContact O-N 2.62Å; R103-I106 PolarHBondContact O-N 3.39Å; R103-R107 WeakPolarHBondContact O-CG 3.04Å; R103-R107 PolarHBondContact O-N 3.48Å; R103-F128 HydrophobicContact CB-CD1 4.15Å; R103-F128 HydrophobicContact CB-CE1 3.75Å; R103-F128 HydrophobicContact CB-CE2 4.2Å; R103-F128 HydrophobicContact CB-CZ 3.78Å; R103-F128 HydrophobicContact CG-CD1 3.54Å; R103-F128 HydrophobicContact CG-CD2 4.46Å; R103-F128 HydrophobicContact CG-CE1 3.6Å; R103-F128 HydrophobicContact CG-CG 3.99Å; R103-F128 HydrophobicContact CG-CZ 4.12Å; R103-E148 WeakPolarHBondContact CD-OE1 3.41Å; R103-E148 IonicContact CZ-OE1 2.71Å; R103-E148 IonicContact CZ-OE2 3.42Å; R103-E148 VanDerWaalsContact NE-CD 3.35Å; R103-E148 IonicContact NE-OE1 3.34Å; R103-E148 PolarHBondContact NE-OE1 3.41Å; R103-E148 IonicContact NE-OE2 3.68Å; R103-E148 PolarHBondContact NE-OE2 2.49Å; R103-E148 VanDerWaalsContact NE-OE2 3.11Å; R103-E148 IonicContact NH2-OE1 3.22Å; R103-E148 IonicContact NH2-OE2 2.82Å; R103-E148 PolarHBondContact NH2-OE2 3.09Å
104S98.1Very high97.8Very high7 Ų739.8 Ų39.85%0.04919%0.194CC..Hα-helixtrans-58.6-44.8175.5-178.10000112.4Y100 R102 R107 K108Y100-S104 WeakPolarHBondContact O-CB 3.43Å; Y100-S104 PolarHBondContact O-N 3.04Å; R102-S104 VanDerWaalsContact C-N 3.33Å; R102-S104 PolarHBondContact O-N 3.08Å; S104-R107 PolarHBondContact O-N 3.1Å; S104-K108 WeakPolarHBondContact O-CG 3.06Å; S104-K108 PolarHBondContact O-N 3.02Å; S104-K108 PolarHBondContact OG-NZ 2.83Å
105A98.3Very high97.7Very high14 Ų1442.4 Ų42.412%0.11620%0.204CC..Hα-helixtrans-64.1-40.2176.300000112.1E101 R102 R103 K108 T109 L328E101-A105 WeakPolarHBondContact O-CB 3.16Å; E101-A105 PolarHBondContact O-N 3.13Å; R102-A105 PolarHBondContact O-N 2.65Å; R103-A105 PolarHBondContact O-N 2.62Å; A105-K108 PolarHBondContact O-N 2.9Å; A105-T109 WeakPolarHBondContact O-CB 3.47Å; A105-T109 VanDerWaalsContact O-CG2 3.29Å; A105-T109 WeakPolarHBondContact O-CG2 3.47Å; A105-T109 PolarHBondContact O-N 3.4Å; A105-T109 PolarHBondContact O-OG1 2.91Å; A105-L328 HydrophobicContact CB-CD2 3.98Å
106I98.6Very high97.7Very high1 Ų142.3 Ų42.31%0.00520%0.203CC..Hα-helixtrans-63.3-47.2176.7-68168000111I93 R102 R103 K108 T109 W110 G111 F128 D193 L328I93-I106 HydrophobicContact CD1-CD1 4.35Å; I93-I106 HydrophobicContact CD1-CG2 3.73Å; I93-I106 HydrophobicContact CG2-CD1 3.95Å; R102-I106 VanDerWaalsContact O-CG1 3.29Å; R102-I106 WeakPolarHBondContact O-CG1 3.37Å; R102-I106 PolarHBondContact O-N 2.98Å; R103-I106 PolarHBondContact O-N 3.39Å; I106-K108 PolarHBondContact O-N 3.29Å; I106-K108 VanDerWaalsContact O-N 3.17Å; I106-T109 PolarHBondContact O-N 2.88Å; I106-T109 PolarHBondContact O-OG1 3.23Å; I106-W110 HydrophobicContact CB-CH2 4.37Å; I106-W110 HydrophobicContact CB-CZ2 4.17Å; I106-W110 HydrophobicContact CD1-CH2 3.91Å; I106-W110 HydrophobicContact CD1-CZ2 3.61Å; I106-W110 HydrophobicContact CG1-CH2 4.04Å; I106-W110 HydrophobicContact CG1-CZ2 3.49Å; I106-W110 VanDerWaalsContact CG1-CZ2 3.49Å; I106-W110 HydrophobicContact CG2-CD2 4.07Å; I106-W110 HydrophobicContact CG2-CE3 3.89Å; I106-W110 HydrophobicContact CG2-CH2 3.43Å; I106-W110 VanDerWaalsContact CG2-CH2 3.43Å; I106-W110 HydrophobicContact CG2-CZ2 3.63Å; I106-W110 HydrophobicContact CG2-CZ3 3.53Å; I106-G111 WeakPolarHBondContact O-CA 3.38Å; I106-G111 PolarHBondContact O-N 3.34Å; I106-F128 HydrophobicContact CB-CE1 4.38Å; I106-F128 HydrophobicContact CB-CZ 4.26Å; I106-F128 HydrophobicContact CD1-CE1 4.14Å; I106-F128 HydrophobicContact CG2-CE1 4.37Å; I106-F128 HydrophobicContact CG2-CZ 4.18Å; I106-D193 HydrophobicContact CD1-CB 4.23Å; I106-L328 HydrophobicContact CB-CD2 4.44Å; I106-L328 HydrophobicContact CG1-CD2 3.66Å
107R98.2Very high97.8Very high30 Ų3045.3 Ų45.311%0.11321%0.213CC..Hα-helixtrans-56.4-32.7176.6-70.5179.9-171.8108-1.6113R103 S104 F128 E148 D154R103-R107 WeakPolarHBondContact O-CG 3.04Å; R103-R107 PolarHBondContact O-N 3.48Å; S104-R107 PolarHBondContact O-N 3.1Å; R107-F128 HydrophobicContact CG-CE2 4.11Å; R107-F128 HydrophobicContact CG-CZ 4.22Å; R107-E148 IonicContact CZ-OE1 3.64Å; R107-E148 VanDerWaalsContact CZ-OE1 3.27Å; R107-E148 IonicContact NH1-OE1 3.94Å; R107-E148 PolarHBondContact NH1-OE1 3.26Å; R107-E148 IonicContact NH2-OE1 3.53Å; R107-E148 PolarHBondContact NH2-OE1 3.21Å; R107-D154 IonicContact CZ-OD1 3.11Å; R107-D154 IonicContact CZ-OD2 2.98Å; R107-D154 IonicContact NE-OD1 2.71Å; R107-D154 IonicContact NE-OD2 3.89Å; R107-D154 PolarHBondContact NE-OD2 3.5Å; R107-D154 IonicContact NH2-OD1 3.88Å; R107-D154 PolarHBondContact NH2-OD1 2.73Å; R107-D154 IonicContact NH2-OD2 3.58Å; R107-D154 PolarHBondContact NH2-OD2 2.87Å
108K97.5Very high97.8Very high128 Ų12849.1 Ų49.156%0.55724%0.24SC*.Hα-helixtrans-83.4-11.9179.5-68.8170.2-175.1172.10114.2S104 A105 I106S104-K108 WeakPolarHBondContact O-CG 3.06Å; S104-K108 PolarHBondContact O-N 3.02Å; S104-K108 PolarHBondContact OG-NZ 2.83Å; A105-K108 PolarHBondContact O-N 2.9Å; I106-K108 PolarHBondContact O-N 3.29Å; I106-K108 VanDerWaalsContact O-N 3.17Å
109T98.3Very high97.9Very high4 Ų452.1 Ų52.13%0.02525%0.254CS..THydrogen-bonded Turntrans-123.3-121.2-170.657.20000110.9A105 I106 G111 N112 L328 Q329 W332A105-T109 WeakPolarHBondContact O-CB 3.47Å; A105-T109 VanDerWaalsContact O-CG2 3.29Å; A105-T109 WeakPolarHBondContact O-CG2 3.47Å; A105-T109 PolarHBondContact O-N 3.4Å; A105-T109 PolarHBondContact O-OG1 2.91Å; I106-T109 PolarHBondContact O-N 2.88Å; I106-T109 PolarHBondContact O-OG1 3.23Å; T109-G111 PolarHBondContact O-N 3.37Å; T109-N112 WeakPolarHBondContact O-CB 3.24Å; T109-N112 PolarHBondContact O-N 2.84Å; T109-L328 WeakPolarHBondContact OG1-CD2 3.32Å; T109-Q329 HydrophobicContact CG2-CB 4.18Å; T109-Q329 HydrophobicContact CG2-CG 3.64Å; T109-W332 HydrophobicContact CG2-CB 3.74Å; T109-W332 HydrophobicContact CG2-CG 3.92Å
110W97.9Very high97.9Very high0 Ų052 Ų520%025%0.253CS..THydrogen-bonded Turntrans-65.8-18.7-176.957.2-104.3000113.1L91 I93 I106 N112 I195 F196 I197 M199 W332L91-W110 HydrophobicContact CD2-CE3 4.24Å; L91-W110 HydrophobicContact CD2-CZ3 3.62Å; I93-W110 HydrophobicContact CD1-CH2 3.65Å; I93-W110 HydrophobicContact CD1-CZ3 3.86Å; I93-W110 HydrophobicContact CG1-CH2 3.93Å; I93-W110 HydrophobicContact CG1-CZ3 4.33Å; I106-W110 HydrophobicContact CB-CH2 4.37Å; I106-W110 HydrophobicContact CB-CZ2 4.17Å; I106-W110 HydrophobicContact CD1-CH2 3.91Å; I106-W110 HydrophobicContact CD1-CZ2 3.61Å; I106-W110 HydrophobicContact CG1-CH2 4.04Å; I106-W110 HydrophobicContact CG1-CZ2 3.49Å; I106-W110 VanDerWaalsContact CG1-CZ2 3.49Å; I106-W110 HydrophobicContact CG2-CD2 4.07Å; I106-W110 HydrophobicContact CG2-CE3 3.89Å; I106-W110 HydrophobicContact CG2-CH2 3.43Å; I106-W110 VanDerWaalsContact CG2-CH2 3.43Å; I106-W110 HydrophobicContact CG2-CZ2 3.63Å; I106-W110 HydrophobicContact CG2-CZ3 3.53Å; W110-N112 VanDerWaalsContact C-N 3.32Å; W110-I195 VanDerWaalsContact CZ2-O 3.32Å; W110-I195 WeakPolarHBondContact CZ2-O 3.47Å; W110-I195 PolarHBondContact NE1-O 3.15Å; W110-F196 AromaticContact CD1-CD2 3.97Å; W110-I197 WeakPolarHBondContact CB-O 3.24Å; W110-I197 HydrophobicContact CD2-CB 4.06Å; W110-I197 HydrophobicContact CD2-CG1 4.49Å; W110-I197 HydrophobicContact CE3-CB 4.19Å; W110-I197 HydrophobicContact CE3-CD1 4.09Å; W110-I197 HydrophobicContact CE3-CG1 4.48Å; W110-I197 HydrophobicContact CG-CB 4.3Å; W110-I197 HydrophobicContact CH2-CD1 3.91Å; W110-I197 HydrophobicContact CZ2-CD1 4.35Å; W110-I197 HydrophobicContact CZ3-CD1 3.79Å; W110-M199 HydrophobicContact CB-CB 4.3Å; W110-M199 HydrophobicContact CE3-CE 4.09Å; W110-M199 WeakPolarHBondContact O-CE 3.34Å; W110-W332 HydrophobicContact CB-CE3 3.73Å; W110-W332 HydrophobicContact CB-CH2 4.25Å; W110-W332 HydrophobicContact CB-CZ3 3.52Å
111G98Very high97.9Very high8 Ų854.8 Ų54.88%0.08227%0.273CS..THydrogen-bonded Turntrans-89.413.8179.300000115.1I106 T109 E113 I126I106-G111 WeakPolarHBondContact O-CA 3.38Å; I106-G111 PolarHBondContact O-N 3.34Å; T109-G111 PolarHBondContact O-N 3.37Å; G111-E113 PolarHBondContact O-N 2.85Å; G111-I126 VanDerWaalsContact O-CD1 3.25Å; G111-I126 WeakPolarHBondContact O-CD1 3.45Å
112N97.9Very high97.9Very high57 Ų5748.6 Ų48.631%0.30525%0.245SC..  trans-82.999.6178.6-175-27.7000111T109 W110 N114 Y115 V116T109-N112 WeakPolarHBondContact O-CB 3.24Å; T109-N112 PolarHBondContact O-N 2.84Å; W110-N112 VanDerWaalsContact C-N 3.32Å; N112-N114 VanDerWaalsContact C-N 3.26Å; N112-N114 PolarHBondContact O-N 3.4Å; N112-N114 WeakPolarHBondContact OD1-CB 3.47Å; N112-N114 PolarHBondContact OD1-N 3.34Å; N112-N114 VanDerWaalsContact OD1-N 3.09Å; N112-Y115 WeakPolarHBondContact O-CB 3.31Å; N112-Y115 PolarHBondContact O-N 2.86Å; N112-Y115 VanDerWaalsContact O-N 3.15Å; N112-Y115 PolarHBondContact OD1-N 2.76Å; N112-V116 PolarHBondContact O-N 3.18Å
113E97.8Very high97.9Very high39 Ų3946.7 Ų46.718%0.18224%0.24CC..Hα-helixtrans-55.8-38179.4-65.5-173.5-163.400112.6K81 G111 V116 Q117 I124 K125 I126K81-E113 VanDerWaalsContact CE-OE1 3.32Å; K81-E113 WeakPolarHBondContact CE-OE1 3.44Å; K81-E113 IonicContact NZ-OE1 3.57Å; K81-E113 PolarHBondContact NZ-OE1 3.38Å; K81-E113 IonicContact NZ-OE2 2.74Å; G111-E113 PolarHBondContact O-N 2.85Å; E113-V116 PolarHBondContact O-N 3.1Å; E113-Q117 WeakPolarHBondContact O-CB 3.2Å; E113-Q117 PolarHBondContact O-N 2.98Å; E113-I124 HydrophobicContact CG-CG1 4.36Å; E113-K125 IonicContact OE2-NZ 3.89Å; E113-K125 PolarHBondContact OE2-NZ 3.2Å; E113-K125 VanDerWaalsContact OE2-NZ 3.12Å; E113-I126 HydrophobicContact CG-CD1 4.45Å; E113-I126 HydrophobicContact CG-CG1 4.47Å; E113-I126 PolarHBondContact OE1-N 2.81Å
114N97.8Very high97.9Very high129 Ų12946.6 Ų46.669%0.6924%0.24SC*.Hα-helixtrans-67.9-37.6179.7-68.5-27.8000112.3N112 S118N112-N114 VanDerWaalsContact C-N 3.26Å; N112-N114 PolarHBondContact O-N 3.4Å; N112-N114 WeakPolarHBondContact OD1-CB 3.47Å; N112-N114 PolarHBondContact OD1-N 3.34Å; N112-N114 VanDerWaalsContact OD1-N 3.09Å; N114-S118 VanDerWaalsContact O-CB 3.31Å; N114-S118 WeakPolarHBondContact O-CB 3.46Å; N114-S118 PolarHBondContact O-N 2.88Å; N114-S118 PolarHBondContact O-OG 3.37Å
115Y97.8Very high98Very high62 Ų6247.2 Ų47.224%0.24324%0.242CC..Hα-helixtrans-60.9-47.4173168.4-91.4000110.3N112 Q117 S118 Q119 L120 W332N112-Y115 WeakPolarHBondContact O-CB 3.31Å; N112-Y115 PolarHBondContact O-N 2.86Å; N112-Y115 VanDerWaalsContact O-N 3.15Å; N112-Y115 PolarHBondContact OD1-N 2.76Å; Y115-Q117 PolarHBondContact O-N 2.63Å; Y115-S118 PolarHBondContact O-N 3.41Å; Y115-S118 PolarHBondContact O-OG 3.49Å; Y115-Q119 HydrophobicContact CD2-CB 4.24Å; Y115-Q119 HydrophobicContact CD2-CG 3.59Å; Y115-Q119 HydrophobicContact CE2-CB 4.01Å; Y115-Q119 HydrophobicContact CE2-CG 3.62Å; Y115-Q119 HydrophobicContact CG-CG 4.29Å; Y115-Q119 VanDerWaalsContact O-CB 3.26Å; Y115-Q119 WeakPolarHBondContact O-CB 3.39Å; Y115-Q119 WeakPolarHBondContact O-CG 3.46Å; Y115-Q119 PolarHBondContact O-N 2.96Å; Y115-L120 HydrophobicContact CE1-CD1 4.12Å; Y115-L120 HydrophobicContact CE1-CG 4.39Å; Y115-W332 HydrophobicContact CD1-CH2 4.22Å; Y115-W332 HydrophobicContact CD1-CZ2 4.04Å; Y115-W332 AromaticContact CE1-CH2 3.68Å; Y115-W332 HydrophobicContact CE1-CH2 3.68Å; Y115-W332 AromaticContact CE1-CZ2 3.68Å; Y115-W332 HydrophobicContact CE1-CZ2 3.68Å; Y115-W332 HydrophobicContact CE2-CZ2 4.33Å; Y115-W332 AromaticContact CZ-CZ2 3.84Å
116V98.1Very high98Very high0 Ų046.8 Ų46.80%024%0.237CC..Hα-helixtrans-64-43.8-178.8-179.10000111.4N112 E113 L120 N121 A122 I124 M199 I203N112-V116 PolarHBondContact O-N 3.18Å; E113-V116 PolarHBondContact O-N 3.1Å; V116-L120 HydrophobicContact CG1-CB 4.36Å; V116-L120 HydrophobicContact CG1-CD1 4.17Å; V116-L120 HydrophobicContact CG2-CD1 4.34Å; V116-L120 CarbonylContact O-C 3.43Å; V116-L120 WeakPolarHBondContact O-CA 3.3Å; V116-L120 VanDerWaalsContact O-CB 3.3Å; V116-L120 WeakPolarHBondContact O-CB 3.17Å; V116-L120 PolarHBondContact O-N 3.47Å; V116-N121 PolarHBondContact O-N 3.28Å; V116-A122 CarbonylContact C-O 3.49Å; V116-A122 HydrophobicContact CG1-CB 4.06Å; V116-I124 HydrophobicContact CB-CD1 4.09Å; V116-I124 HydrophobicContact CB-CG1 4.1Å; V116-I124 HydrophobicContact CG1-CD1 4.08Å; V116-I124 HydrophobicContact CG1-CG1 4Å; V116-I124 HydrophobicContact CG1-CG2 3.84Å; V116-I124 HydrophobicContact CG2-CD1 3.73Å; V116-I124 HydrophobicContact CG2-CG1 4.3Å; V116-M199 HydrophobicContact CG2-CG 3.41Å; V116-M199 VanDerWaalsContact CG2-CG 3.41Å; V116-M199 HydrophobicContact CG2-SD 4.3Å; V116-I203 HydrophobicContact CG1-CD1 4.02Å; V116-I203 HydrophobicContact CG1-CG1 4Å
117Q97.8Very high98Very high85 Ų8546.7 Ų46.740%0.39724%0.237SC..Hα-helixtrans-62.9-45.9176.9-1766255.600112.4E113 Y115 N121 A122E113-Q117 WeakPolarHBondContact O-CB 3.2Å; E113-Q117 PolarHBondContact O-N 2.98Å; Y115-Q117 PolarHBondContact O-N 2.63Å; Q117-N121 WeakPolarHBondContact O-CA 2.84Å; Q117-N121 PolarHBondContact O-N 3.18Å; Q117-A122 WeakPolarHBondContact CA-O 3.46Å; Q117-A122 PolarHBondContact N-O 3.41Å; Q117-A122 PolarHBondContact OE1-O 2.98Å
118S97.7Very high98Very high81 Ų8145.3 Ų45.357%0.56623%0.232SC*.Hα-helixtrans-81.4-35.3-173.762.40000114.3N114 Y115N114-S118 VanDerWaalsContact O-CB 3.31Å; N114-S118 WeakPolarHBondContact O-CB 3.46Å; N114-S118 PolarHBondContact O-N 2.88Å; N114-S118 PolarHBondContact O-OG 3.37Å; Y115-S118 PolarHBondContact O-N 3.41Å; Y115-S118 PolarHBondContact O-OG 3.49Å
119Q97.1Very high98.1Very high129 Ų12939.2 Ų39.260%0.60321%0.205SC*.Hα-helixtrans-99.5-28.6-174.2-55.2-54.7-59.600113.2Y115Y115-Q119 HydrophobicContact CD2-CB 4.24Å; Y115-Q119 HydrophobicContact CD2-CG 3.59Å; Y115-Q119 HydrophobicContact CE2-CB 4.01Å; Y115-Q119 HydrophobicContact CE2-CG 3.62Å; Y115-Q119 HydrophobicContact CG-CG 4.29Å; Y115-Q119 VanDerWaalsContact O-CB 3.26Å; Y115-Q119 WeakPolarHBondContact O-CB 3.39Å; Y115-Q119 WeakPolarHBondContact O-CG 3.46Å; Y115-Q119 PolarHBondContact O-N 2.96Å
120L97.5Very high98.1Very high36 Ų3639 Ų3919%0.18820%0.204CC..Hα-helixtrans-114.5-2.1-174.4-49.9177.2000113Y115 V116 A122 M199 P200 I203 Q207Y115-L120 HydrophobicContact CE1-CD1 4.12Å; Y115-L120 HydrophobicContact CE1-CG 4.39Å; V116-L120 HydrophobicContact CG1-CB 4.36Å; V116-L120 HydrophobicContact CG1-CD1 4.17Å; V116-L120 HydrophobicContact CG2-CD1 4.34Å; V116-L120 CarbonylContact O-C 3.43Å; V116-L120 WeakPolarHBondContact O-CA 3.3Å; V116-L120 VanDerWaalsContact O-CB 3.3Å; V116-L120 WeakPolarHBondContact O-CB 3.17Å; V116-L120 PolarHBondContact O-N 3.47Å; L120-A122 VanDerWaalsContact C-N 3.26Å; L120-A122 PolarHBondContact O-N 2.94Å; L120-M199 HydrophobicContact CD1-CG 4.2Å; L120-P200 HydrophobicContact CD1-CB 4.37Å; L120-P200 HydrophobicContact CD1-CG 4.25Å; L120-P200 HydrophobicContact CD2-CB 3.99Å; L120-P200 HydrophobicContact CD2-CG 4.22Å; L120-I203 HydrophobicContact CB-CG2 4.04Å; L120-I203 HydrophobicContact CD1-CB 4.16Å; L120-I203 HydrophobicContact CD1-CG1 3.93Å; L120-Q207 PolarHBondContact O-NE2 3.1Å
121N97.6Very high98Very high131 Ų13139 Ų3970%0.70120%0.204SC*.  trans51.244.5-179.7-169.648.3000112.7V116 Q117V116-N121 PolarHBondContact O-N 3.28Å; Q117-N121 WeakPolarHBondContact O-CA 2.84Å; Q117-N121 PolarHBondContact O-N 3.18Å
122A98.2Very high98Very high5 Ų539.6 Ų39.64%0.04121%0.206CC..  trans-134.1137.9178.700000110.6L88 V116 Q117 L120 I203L88-A122 HydrophobicContact CD2-CB 3.81Å; V116-A122 CarbonylContact C-O 3.49Å; V116-A122 HydrophobicContact CG1-CB 4.06Å; Q117-A122 WeakPolarHBondContact CA-O 3.46Å; Q117-A122 PolarHBondContact N-O 3.41Å; Q117-A122 PolarHBondContact OE1-O 2.98Å; L120-A122 VanDerWaalsContact C-N 3.26Å; L120-A122 PolarHBondContact O-N 2.94Å; A122-I203 HydrophobicContact CB-CD1 4.18Å; A122-I203 HydrophobicContact CB-CG2 3.53Å
123N98.2Very high97.9Very high31 Ų3137.5 Ų37.517%0.16620%0.196CC..  trans-93.9114.4173.3-176.826.2000109.4D86 L88 K125D86-N123 VanDerWaalsContact O-CB 3.31Å; D86-N123 WeakPolarHBondContact O-CB 3.46Å; D86-N123 PolarHBondContact O-ND2 2.75Å; L88-N123 PolarHBondContact N-O 3.24Å; N123-K125 WeakPolarHBondContact OD1-CE 3.33Å; N123-K125 PolarHBondContact OD1-NZ 3.32Å; N123-K125 VanDerWaalsContact OD1-NZ 3.12Å
124I98.5Very high97.6Very high1 Ų139.5 Ų39.51%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-118.1155.1173.972165.3000110L89 E113 V116 I126 M199 I203L89-I124 HydrophobicContact CB-CB 4.22Å; L89-I124 HydrophobicContact CB-CG2 3.75Å; L89-I124 HydrophobicContact CD2-CG2 4.44Å; L89-I124 CarbonylContact O-C 3.6Å; L89-I124 VanDerWaalsContact O-CA 3.25Å; L89-I124 WeakPolarHBondContact O-CA 3.47Å; L89-I124 WeakPolarHBondContact O-CB 3.34Å; E113-I124 HydrophobicContact CG-CG1 4.36Å; V116-I124 HydrophobicContact CB-CD1 4.09Å; V116-I124 HydrophobicContact CB-CG1 4.1Å; V116-I124 HydrophobicContact CG1-CD1 4.08Å; V116-I124 HydrophobicContact CG1-CG1 4Å; V116-I124 HydrophobicContact CG1-CG2 3.84Å; V116-I124 HydrophobicContact CG2-CD1 3.73Å; V116-I124 HydrophobicContact CG2-CG1 4.3Å; I124-I126 HydrophobicContact CD1-CD1 3.95Å; I124-I126 HydrophobicContact CD1-CG1 4.21Å; I124-M199 HydrophobicContact CD1-CE 3.88Å; I124-M199 HydrophobicContact CD1-SD 4.03Å; I124-I203 HydrophobicContact CG2-CD1 3.63Å
125K98.4Very high97.1Very high21 Ų2138.1 Ų38.19%0.09120%0.203CC..EExtended strand (participates in β ladder)trans-123.4130.2171.5-61.1-62.7143-160.40109.9K81 V87 L89 L90 L91 E113 N123K81-K125 HydrophobicContact CD-CD 4.37Å; K81-K125 HydrophobicContact CG-CB 4.41Å; K81-K125 HydrophobicContact CG-CD 4.25Å; K81-K125 HydrophobicContact CG-CG 4.5Å; V87-K125 HydrophobicContact CG1-CB 4.48Å; V87-K125 HydrophobicContact CG1-CG 4.07Å; V87-K125 HydrophobicContact CG2-CG 4.01Å; L89-K125 PolarHBondContact O-N 3.24Å; L90-K125 HydrophobicContact CD1-CB 3.95Å; L91-K125 PolarHBondContact N-O 2.99Å; E113-K125 IonicContact OE2-NZ 3.89Å; E113-K125 PolarHBondContact OE2-NZ 3.2Å; E113-K125 VanDerWaalsContact OE2-NZ 3.12Å; N123-K125 WeakPolarHBondContact OD1-CE 3.33Å; N123-K125 PolarHBondContact OD1-NZ 3.32Å; N123-K125 VanDerWaalsContact OD1-NZ 3.12Å
126I98.4Very high96.4Very high4 Ų442.7 Ų42.72%0.02123%0.231CC..EExtended strand (participates in β ladder)trans-110.6134.1177.6-67.3172.7000109.1L91 I93 G111 E113 I124L91-I126 HydrophobicContact CB-CG1 4.12Å; L91-I126 HydrophobicContact CD2-CD1 4.32Å; L91-I126 HydrophobicContact CD2-CG1 4.18Å; L91-I126 HydrophobicContact CG-CG1 4.38Å; L91-I126 WeakPolarHBondContact O-CA 3.48Å; I93-I126 HydrophobicContact CD1-CG2 3.37Å; I93-I126 HydrophobicContact CG1-CG2 4.27Å; G111-I126 VanDerWaalsContact O-CD1 3.25Å; G111-I126 WeakPolarHBondContact O-CD1 3.45Å; E113-I126 HydrophobicContact CG-CD1 4.45Å; E113-I126 HydrophobicContact CG-CG1 4.47Å; E113-I126 PolarHBondContact OE1-N 2.81Å; I124-I126 HydrophobicContact CD1-CD1 3.95Å; I124-I126 HydrophobicContact CD1-CG1 4.21Å
127L98.7Very high95.4Very high0 Ų048.2 Ų48.20%026%0.255CS..EExtended strand (participates in β ladder)trans-135.5127.8174.2-72174.4000110.3K81 L90 L91 F92 I93 D154 I156 W177K81-L127 HydrophobicContact CD-CD2 4.36Å; K81-L127 HydrophobicContact CG-CD2 4.12Å; K81-L127 HydrophobicContact CG-CG 4.45Å; L90-L127 HydrophobicContact CD1-CD1 4.2Å; L91-L127 PolarHBondContact O-N 3.35Å; F92-L127 CarbonylContact C-O 3.56Å; F92-L127 WeakPolarHBondContact CA-O 3.27Å; F92-L127 HydrophobicContact CD1-CB 3.66Å; F92-L127 HydrophobicContact CE1-CB 3.59Å; F92-L127 HydrophobicContact CE1-CD1 3.65Å; F92-L127 HydrophobicContact CE1-CG 4.26Å; F92-L127 HydrophobicContact CZ-CD1 4.26Å; I93-L127 PolarHBondContact N-O 3.15Å; L127-D154 CarbonylContact C-O 3.55Å; L127-D154 WeakPolarHBondContact CA-O 3.32Å; L127-I156 HydrophobicContact CD1-CG2 4.15Å; L127-I156 HydrophobicContact CD2-CG2 4.19Å; L127-W177 HydrophobicContact CD1-CD2 4.02Å; L127-W177 HydrophobicContact CD1-CE3 3.82Å; L127-W177 HydrophobicContact CD1-CH2 3.33Å; L127-W177 HydrophobicContact CD1-CZ2 3.53Å; L127-W177 HydrophobicContact CD1-CZ3 3.46Å; L127-W177 VanDerWaalsContact CD1-CZ3 3.46Å
128F98.8Very high94.5Very high0 Ų045.5 Ų45.50%025%0.25CC..EExtended strand (participates in β ladder)trans-81.3122.1170.1-64-76.6000109.1I93 T95 R103 I106 R107 L130 D154 I155 I156I93-F128 HydrophobicContact CB-CD1 3.67Å; I93-F128 HydrophobicContact CB-CE1 3.98Å; I93-F128 HydrophobicContact CD1-CD1 3.86Å; I93-F128 HydrophobicContact CD1-CE1 3.39Å; I93-F128 HydrophobicContact CD1-CZ 3.87Å; I93-F128 HydrophobicContact CG1-CD1 4.39Å; I93-F128 HydrophobicContact CG1-CE1 4.31Å; I93-F128 HydrophobicContact CG2-CD1 3.79Å; I93-F128 HydrophobicContact CG2-CE1 3.9Å; T95-F128 HydrophobicContact CG2-CB 3.91Å; T95-F128 HydrophobicContact CG2-CD1 3.89Å; T95-F128 HydrophobicContact CG2-CG 4.32Å; R103-F128 HydrophobicContact CB-CD1 4.15Å; R103-F128 HydrophobicContact CB-CE1 3.75Å; R103-F128 HydrophobicContact CB-CE2 4.2Å; R103-F128 HydrophobicContact CB-CZ 3.78Å; R103-F128 HydrophobicContact CG-CD1 3.54Å; R103-F128 HydrophobicContact CG-CD2 4.46Å; R103-F128 HydrophobicContact CG-CE1 3.6Å; R103-F128 HydrophobicContact CG-CG 3.99Å; R103-F128 HydrophobicContact CG-CZ 4.12Å; I106-F128 HydrophobicContact CB-CE1 4.38Å; I106-F128 HydrophobicContact CB-CZ 4.26Å; I106-F128 HydrophobicContact CD1-CE1 4.14Å; I106-F128 HydrophobicContact CG2-CE1 4.37Å; I106-F128 HydrophobicContact CG2-CZ 4.18Å; R107-F128 HydrophobicContact CG-CE2 4.11Å; R107-F128 HydrophobicContact CG-CZ 4.22Å; F128-L130 HydrophobicContact CB-CD1 3.81Å; F128-L130 WeakPolarHBondContact O-CD1 3.3Å; F128-D154 HydrophobicContact CD2-CB 4.4Å; F128-D154 WeakPolarHBondContact CE2-OD2 3.26Å; F128-D154 PolarHBondContact N-O 3.44Å; F128-I155 HydrophobicContact CB-CG1 4.19Å; F128-I156 PolarHBondContact O-N 3.22Å
129A98.7Very high94.2Very high0 Ų050.5 Ų50.50%026%0.261CS..EExtended strand (participates in β ladder)trans-100.4118.4-179.200000110.8F92 I93 I156 K170 L173 Q174F92-A129 HydrophobicContact CD1-CB 4.47Å; I93-A129 PolarHBondContact O-N 3.01Å; A129-I156 HydrophobicContact CB-CD1 4.4Å; A129-I156 HydrophobicContact CB-CG1 4.24Å; A129-K170 HydrophobicContact CB-CG 4.1Å; A129-K170 WeakPolarHBondContact O-CD 3.31Å; A129-K170 WeakPolarHBondContact O-CE 3.33Å; A129-L173 HydrophobicContact CB-CD2 4.12Å; A129-Q174 HydrophobicContact CB-CG 3.84Å
130L98.3Very high93.9Very high0 Ų048.8 Ų48.80%025%0.253CS..EExtended strand (participates in β ladder)trans-130.9151.9-173.7-63.5103.3000113.3T95 P97 F128 L145 I155 I156 Q157 Q158T95-L130 HydrophobicContact CG2-CD1 3.95Å; T95-L130 HydrophobicContact CG2-CD2 4.01Å; T95-L130 HydrophobicContact CG2-CG 3.82Å; P97-L130 HydrophobicContact CB-CD2 4.32Å; P97-L130 HydrophobicContact CG-CD2 4.1Å; F128-L130 HydrophobicContact CB-CD1 3.81Å; F128-L130 WeakPolarHBondContact O-CD1 3.3Å; L130-L145 HydrophobicContact CD2-CD1 3.94Å; L130-L145 HydrophobicContact CD2-CD2 4.28Å; L130-I155 HydrophobicContact CD1-CB 4.36Å; L130-I155 HydrophobicContact CD1-CG1 4.11Å; L130-I155 HydrophobicContact CD1-CG2 3.61Å; L130-I156 PolarHBondContact N-O 3.26Å; L130-Q157 HydrophobicContact CB-CG 4.35Å; L130-Q157 WeakPolarHBondContact O-CA 3.47Å; L130-Q158 PolarHBondContact O-N 3.47Å
131G97.6Very high93.8Very high0 Ų048.6 Ų48.60%025%0.252CS..EExtended strand (participates in β ladder)trans-92-168.8156.600000111.8Q157 F160 D162G131-Q157 PolarHBondContact O-NE2 2.8Å; G131-F160 CarbonylContact C-O 3.42Å; G131-F160 WeakPolarHBondContact CA-O 3.29Å; G131-D162 PolarHBondContact N-OD2 3.12Å
132T96.8Very high93.8Very high21 Ų2144.1 Ų44.113%0.12923%0.227CC..EExtended strand (participates in β ladder)trans-80.7149.1173.459.20000111.6L75 F160 T161 D162L75-T132 HydrophobicContact CD1-CG2 3.36Å; T132-F160 PolarHBondContact N-O 3.42Å; T132-F160 PolarHBondContact OG1-O 2.96Å; T132-T161 WeakPolarHBondContact OG1-CA 3.45Å; T132-T161 PolarHBondContact OG1-N 2.92Å; T132-D162 PolarHBondContact O-N 2.89Å
133P96.4Very high93.7Very high13 Ų1350.3 Ų50.38%0.08425%0.253CS..PPolyproline II helixtrans-51.6144.1167.5-29.136.6000111.9P97 L141 Q142P97-P133 HydrophobicContact CB-CG 3.84Å; P97-P133 HydrophobicContact CG-CG 4.13Å; P133-L141 HydrophobicContact CB-CB 4.25Å; P133-L141 HydrophobicContact CB-CD2 4.01Å; P133-L141 HydrophobicContact CB-CG 4.33Å; P133-L141 HydrophobicContact CG-CB 4.02Å; P133-L141 HydrophobicContact CG-CD2 4.07Å; P133-L141 HydrophobicContact CG-CG 3.93Å; P133-Q142 HydrophobicContact CG-CB 4.22Å
134H91.5Very high93.6Very high80 Ų8056.3 Ų56.337%0.3727%0.273SS..PPolyproline II helixtrans-53.8138169.8-168.1-88.2000110L136 K137 G138 T161H134-L136 WeakPolarHBondContact ND1-CB 3.42Å; H134-L136 PolarHBondContact ND1-N 3.44Å; H134-L136 PolarHBondContact O-N 3.42Å; H134-K137 HydrophobicContact CB-CD 4.36Å; H134-K137 HydrophobicContact CB-CG 4.26Å; H134-K137 PolarHBondContact O-N 2.95Å; H134-G138 PolarHBondContact O-N 2.82Å; H134-T161 HydrophobicContact CB-CG2 4.4Å
135P86.2Confident93.5Very high100 Ų10056.4 Ų56.465%0.64927%0.274SS*.THydrogen-bonded Turntrans-51.4-32.3-176.8-3135.5000114.4G138P135-G138 PolarHBondContact O-N 2.91Å
136L84.7Confident93.5Very high159 Ų15958.8 Ų58.883%0.83229%0.286SS*.THydrogen-bonded Turntrans-71.7-27.3176-59.2175.7000114.6H134 G138H134-L136 WeakPolarHBondContact ND1-CB 3.42Å; H134-L136 PolarHBondContact ND1-N 3.44Å; H134-L136 PolarHBondContact O-N 3.42Å; L136-G138 VanDerWaalsContact C-N 3.3Å
137K76.5Confident93.5Very high116 Ų11665.5 Ų65.550%0.50431%0.312SS..THydrogen-bonded Turntrans-80.7-15.9176.9-65.6-176.2-176.3-179.80112.2E98 H134 L141E98-K137 HydrophobicContact CG-CD 3.78Å; E98-K137 WeakPolarHBondContact OE1-CD 3.39Å; E98-K137 WeakPolarHBondContact OE1-CE 3.25Å; E98-K137 IonicContact OE1-NZ 3.22Å; E98-K137 PolarHBondContact OE1-NZ 2.84Å; E98-K137 IonicContact OE2-NZ 2.69Å; H134-K137 HydrophobicContact CB-CD 4.36Å; H134-K137 HydrophobicContact CB-CG 4.26Å; H134-K137 PolarHBondContact O-N 2.95Å; K137-L141 HydrophobicContact CB-CD2 4.44Å
138G79.8Confident93.5Very high28 Ų2865.6 Ų65.629%0.28931%0.312SS..  trans90.3162.215600000116.4H134 P135 L136 E140 L141H134-G138 PolarHBondContact O-N 2.82Å; P135-G138 PolarHBondContact O-N 2.91Å; L136-G138 VanDerWaalsContact C-N 3.3Å; G138-E140 PolarHBondContact O-N 3.18Å; G138-E140 VanDerWaalsContact O-N 3.12Å; G138-L141 PolarHBondContact O-N 3.01Å
139K89.7Confident93.4Very high185 Ų18566.4 Ų66.480%0.80432%0.317SS*.Hα-helixtrans-57.2-23.2178.3-66-178.9177.3-179.30113.6Q142 K143K139-Q142 PolarHBondContact O-N 3.23Å; K139-K143 WeakPolarHBondContact O-CG 3.31Å; K139-K143 PolarHBondContact O-N 3.17Å; K139-K143 VanDerWaalsContact O-N 3.12Å
140E92.5Very high93.4Very high94 Ų9472.4 Ų72.444%0.43935%0.345SS..Hα-helixtrans-66.8-40.7179.6-179.555.3-158.200112.3G138 Q142 K143 R144G138-E140 PolarHBondContact O-N 3.18Å; G138-E140 VanDerWaalsContact O-N 3.12Å; E140-Q142 VanDerWaalsContact C-N 3.28Å; E140-Q142 PolarHBondContact O-N 3.35Å; E140-K143 PolarHBondContact O-N 3.31Å; E140-R144 WeakPolarHBondContact O-CG 3.45Å; E140-R144 PolarHBondContact O-N 3.3Å; E140-R144 VanDerWaalsContact O-N 3.08Å; E140-R144 IonicContact OE1-CZ 3.94Å; E140-R144 IonicContact OE1-NE 3.7Å; E140-R144 PolarHBondContact OE1-NE 2.85Å; E140-R144 IonicContact OE1-NH2 3.74Å
141L95.3Very high93.4Very high31 Ų3175.8 Ų75.816%0.16237%0.365CS..Hα-helixtrans-64.7-37.5177-175.156.4000111.4P97 E98 P133 K137 G138 R144 L145P97-L141 HydrophobicContact CB-CD2 3.86Å; P97-L141 HydrophobicContact CB-CG 4.11Å; E98-L141 HydrophobicContact CB-CD2 4.33Å; E98-L141 HydrophobicContact CG-CD2 3.64Å; P133-L141 HydrophobicContact CB-CB 4.25Å; P133-L141 HydrophobicContact CB-CD2 4.01Å; P133-L141 HydrophobicContact CB-CG 4.33Å; P133-L141 HydrophobicContact CG-CB 4.02Å; P133-L141 HydrophobicContact CG-CD2 4.07Å; P133-L141 HydrophobicContact CG-CG 3.93Å; K137-L141 HydrophobicContact CB-CD2 4.44Å; G138-L141 PolarHBondContact O-N 3.01Å; L141-R144 PolarHBondContact O-N 3.28Å; L141-L145 PolarHBondContact O-N 2.98Å
142Q96.8Very high93.4Very high38 Ų3880 Ų8018%0.17838%0.382CS..Hα-helixtrans-64-40175.1-174.161.328.100111.9P133 K139 E140 L145 I146P133-Q142 HydrophobicContact CG-CB 4.22Å; K139-Q142 PolarHBondContact O-N 3.23Å; E140-Q142 VanDerWaalsContact C-N 3.28Å; E140-Q142 PolarHBondContact O-N 3.35Å; Q142-L145 PolarHBondContact O-N 3.47Å; Q142-I146 HydrophobicContact CG-CD1 4.23Å; Q142-I146 WeakPolarHBondContact O-CG1 3.17Å; Q142-I146 PolarHBondContact O-N 2.67Å
143K95.6Very high93.5Very high135 Ų13583.7 Ų83.759%0.58740%0.397SS*.Hα-helixtrans-62.2-42.3175.1-71.5177.5-178.6-179.70112.2K139 E140 L145 I146 W147K139-K143 WeakPolarHBondContact O-CG 3.31Å; K139-K143 PolarHBondContact O-N 3.17Å; K139-K143 VanDerWaalsContact O-N 3.12Å; E140-K143 PolarHBondContact O-N 3.31Å; K143-L145 VanDerWaalsContact C-N 3.32Å; K143-I146 PolarHBondContact O-N 2.72Å; K143-W147 PolarHBondContact O-N 2.91Å
144R96.3Very high93.5Very high157 Ų15783.7 Ų83.759%0.59240%0.396SS*.Hα-helixtrans-63.8-38.9176.4-67.8177.9-172.9-166.6-1.1112E140 L141 W147 E148E140-R144 WeakPolarHBondContact O-CG 3.45Å; E140-R144 PolarHBondContact O-N 3.3Å; E140-R144 VanDerWaalsContact O-N 3.08Å; E140-R144 IonicContact OE1-CZ 3.94Å; E140-R144 IonicContact OE1-NE 3.7Å; E140-R144 PolarHBondContact OE1-NE 2.85Å; E140-R144 IonicContact OE1-NH2 3.74Å; L141-R144 PolarHBondContact O-N 3.28Å; R144-W147 PolarHBondContact O-N 2.68Å; R144-E148 WeakPolarHBondContact O-CB 3.43Å; R144-E148 PolarHBondContact O-N 2.78Å
145L97.4Very high93.9Very high2 Ų279.9 Ų79.91%0.0138%0.379CS..Hα-helixtrans-64.7-42.1175.8-169.770.3000111.8I76 L130 L141 Q142 K143 W147 E148 D149 I155I76-L145 HydrophobicContact CD1-CD2 4.41Å; I76-L145 HydrophobicContact CD1-CG 4.35Å; L130-L145 HydrophobicContact CD2-CD1 3.94Å; L130-L145 HydrophobicContact CD2-CD2 4.28Å; L141-L145 PolarHBondContact O-N 2.98Å; Q142-L145 PolarHBondContact O-N 3.47Å; K143-L145 VanDerWaalsContact C-N 3.32Å; L145-W147 VanDerWaalsContact C-N 3.34Å; L145-E148 PolarHBondContact O-N 3.45Å; L145-D149 WeakPolarHBondContact O-CB 3.34Å; L145-D149 PolarHBondContact O-N 2.75Å; L145-I155 HydrophobicContact CD1-CD1 3.62Å; L145-I155 HydrophobicContact CG-CD1 4.22Å
146I97.8Very high94.5Very high71 Ų7175.1 Ų75.136%0.36435%0.348SS..Hα-helixtrans-62.6-42.5174.6-67.7163.7000110.8I76 Q142 K143 D149 Q150I76-I146 HydrophobicContact CD1-CG1 4.36Å; Q142-I146 HydrophobicContact CG-CD1 4.23Å; Q142-I146 WeakPolarHBondContact O-CG1 3.17Å; Q142-I146 PolarHBondContact O-N 2.67Å; K143-I146 PolarHBondContact O-N 2.72Å; I146-D149 PolarHBondContact O-N 3.31Å; I146-Q150 VanDerWaalsContact O-CG 3.32Å; I146-Q150 WeakPolarHBondContact O-CG 3.34Å; I146-Q150 PolarHBondContact O-N 2.79Å
147W97.8Very high95.1Very high146 Ų14667.6 Ų67.655%0.55331%0.308SS*.Hα-helixtrans-64.1-43.6175.9177.282.4000112.1K143 R144 L145 D149 Q150 V151K143-W147 PolarHBondContact O-N 2.91Å; R144-W147 PolarHBondContact O-N 2.68Å; L145-W147 VanDerWaalsContact C-N 3.34Å; W147-D149 VanDerWaalsContact C-N 3.29Å; W147-D149 PolarHBondContact O-N 3.29Å; W147-Q150 PolarHBondContact O-N 2.8Å; W147-V151 HydrophobicContact CD2-CG2 4.46Å; W147-V151 HydrophobicContact CH2-CG2 4.37Å; W147-V151 HydrophobicContact CZ2-CG2 4.07Å; W147-V151 WeakPolarHBondContact O-CG2 3.1Å; W147-V151 PolarHBondContact O-N 3.42Å
148E98.4Very high96.1Very high2 Ų263.3 Ų63.31%0.00929%0.29CS..Hα-helixtrans-57.5-45.5174.5178.8-175.5179.200110.8Y100 R103 R107 R144 L145 Q150 V151 Y152 I155Y100-E148 HydrophobicContact CD2-CG 4.12Å; Y100-E148 WeakPolarHBondContact CD2-OE2 3.43Å; Y100-E148 HydrophobicContact CE2-CB 4.35Å; Y100-E148 HydrophobicContact CE2-CG 3.93Å; R103-E148 WeakPolarHBondContact CD-OE1 3.41Å; R103-E148 IonicContact CZ-OE1 2.71Å; R103-E148 IonicContact CZ-OE2 3.42Å; R103-E148 VanDerWaalsContact NE-CD 3.35Å; R103-E148 IonicContact NE-OE1 3.34Å; R103-E148 PolarHBondContact NE-OE1 3.41Å; R103-E148 IonicContact NE-OE2 3.68Å; R103-E148 PolarHBondContact NE-OE2 2.49Å; R103-E148 VanDerWaalsContact NE-OE2 3.11Å; R103-E148 IonicContact NH2-OE1 3.22Å; R103-E148 IonicContact NH2-OE2 2.82Å; R103-E148 PolarHBondContact NH2-OE2 3.09Å; R107-E148 IonicContact CZ-OE1 3.64Å; R107-E148 VanDerWaalsContact CZ-OE1 3.27Å; R107-E148 IonicContact NH1-OE1 3.94Å; R107-E148 PolarHBondContact NH1-OE1 3.26Å; R107-E148 IonicContact NH2-OE1 3.53Å; R107-E148 PolarHBondContact NH2-OE1 3.21Å; R144-E148 WeakPolarHBondContact O-CB 3.43Å; R144-E148 PolarHBondContact O-N 2.78Å; L145-E148 PolarHBondContact O-N 3.45Å; E148-Q150 PolarHBondContact O-N 3.38Å; E148-V151 PolarHBondContact O-N 2.84Å; E148-V151 VanDerWaalsContact O-N 3.1Å; E148-Y152 HydrophobicContact CG-CD2 3.82Å; E148-Y152 HydrophobicContact CG-CE2 4.2Å; E148-Y152 VanDerWaalsContact O-CD2 3.29Å; E148-Y152 WeakPolarHBondContact O-CD2 3.29Å; E148-Y152 PolarHBondContact O-N 2.75Å; E148-I155 HydrophobicContact CB-CD1 4.27Å; E148-I155 HydrophobicContact CG-CD1 3.91Å
149D98.3Very high96.9Very high17 Ų1765.7 Ų65.79%0.09130%0.296CS..Hα-helixtrans-62.7-41.7178.8-174.863.9000112.9I76 H78 L145 I146 W147 V151 Y152 H153 I155I76-D149 HydrophobicContact CD1-CB 4.17Å; I76-D149 HydrophobicContact CG2-CB 4.22Å; I76-D149 WeakPolarHBondContact CG2-OD2 3.37Å; H78-D149 IonicContact CD2-OD1 3.6Å; H78-D149 IonicContact CE1-OD1 2.87Å; H78-D149 IonicContact CE1-OD2 3.7Å; H78-D149 PolarHBondContact CE1-OD2 3.39Å; H78-D149 VanDerWaalsContact NE2-CG 3.29Å; H78-D149 IonicContact NE2-OD1 2.72Å; H78-D149 PolarHBondContact NE2-OD1 2.81Å; H78-D149 IonicContact NE2-OD2 3.52Å; H78-D149 PolarHBondContact NE2-OD2 3.28Å; L145-D149 WeakPolarHBondContact O-CB 3.34Å; L145-D149 PolarHBondContact O-N 2.75Å; I146-D149 PolarHBondContact O-N 3.31Å; W147-D149 VanDerWaalsContact C-N 3.29Å; W147-D149 PolarHBondContact O-N 3.29Å; D149-V151 PolarHBondContact O-N 3.28Å; D149-V151 VanDerWaalsContact O-N 3.15Å; D149-Y152 PolarHBondContact O-N 3.33Å; D149-H153 WeakPolarHBondContact O-CA 3.28Å; D149-H153 PolarHBondContact O-N 2.75Å; D149-I155 HydrophobicContact CB-CB 4.29Å; D149-I155 HydrophobicContact CB-CD1 4.03Å; D149-I155 WeakPolarHBondContact OD1-CB 3.26Å; D149-I155 PolarHBondContact OD1-N 3.47Å
150Q98Very high97.2Very high126 Ų12657.3 Ų57.359%0.58926%0.26SS*.Hα-helixtrans-60.4-23.5174.4-74.4174.7-15.800113.3I146 W147 E148 H153I146-Q150 VanDerWaalsContact O-CG 3.32Å; I146-Q150 WeakPolarHBondContact O-CG 3.34Å; I146-Q150 PolarHBondContact O-N 2.79Å; W147-Q150 PolarHBondContact O-N 2.8Å; E148-Q150 PolarHBondContact O-N 3.38Å; Q150-H153 PolarHBondContact O-CE1 3.5Å
151V98Very high97.4Very high70 Ų7055 Ų5542%0.42425%0.252SS..Hα-helixtrans-87-46.6177.5175.80000110.8W147 E148 D149W147-V151 HydrophobicContact CD2-CG2 4.46Å; W147-V151 HydrophobicContact CH2-CG2 4.37Å; W147-V151 HydrophobicContact CZ2-CG2 4.07Å; W147-V151 WeakPolarHBondContact O-CG2 3.1Å; W147-V151 PolarHBondContact O-N 3.42Å; E148-V151 PolarHBondContact O-N 2.84Å; E148-V151 VanDerWaalsContact O-N 3.1Å; D149-V151 PolarHBondContact O-N 3.28Å; D149-V151 VanDerWaalsContact O-N 3.15Å
152Y97.9Very high97.4Very high90 Ų9054.7 Ų54.735%0.35325%0.251SS..Hα-helixtrans-105.7-19.8-167.4-60.6-71.1000115.4E148 D149 D154E148-Y152 HydrophobicContact CG-CD2 3.82Å; E148-Y152 HydrophobicContact CG-CE2 4.2Å; E148-Y152 VanDerWaalsContact O-CD2 3.29Å; E148-Y152 WeakPolarHBondContact O-CD2 3.29Å; E148-Y152 PolarHBondContact O-N 2.75Å; D149-Y152 PolarHBondContact O-N 3.33Å; Y152-D154 VanDerWaalsContact C-N 3.28Å; Y152-D154 WeakPolarHBondContact CB-OD1 3.38Å; Y152-D154 PolarHBondContact O-N 3.17Å
153H97.9Very high97.3Very high98 Ų9854.8 Ų54.845%0.45426%0.256SS..  trans51.444.4178.6-55.279.9000113.5H78 D149 Q150H78-H153 AromaticContact CE1-CD2 3.99Å; D149-H153 WeakPolarHBondContact O-CA 3.28Å; D149-H153 PolarHBondContact O-N 2.75Å; Q150-H153 PolarHBondContact O-CE1 3.5Å
154D98.1Very high97.3Very high13 Ų1351.3 Ų51.37%0.0724%0.241CC..  trans-137.612.6-173.464.95000113.5R107 L127 F128 Y152R107-D154 IonicContact CZ-OD1 3.11Å; R107-D154 IonicContact CZ-OD2 2.98Å; R107-D154 IonicContact NE-OD1 2.71Å; R107-D154 IonicContact NE-OD2 3.89Å; R107-D154 PolarHBondContact NE-OD2 3.5Å; R107-D154 IonicContact NH2-OD1 3.88Å; R107-D154 PolarHBondContact NH2-OD1 2.73Å; R107-D154 IonicContact NH2-OD2 3.58Å; R107-D154 PolarHBondContact NH2-OD2 2.87Å; L127-D154 CarbonylContact C-O 3.55Å; L127-D154 WeakPolarHBondContact CA-O 3.32Å; F128-D154 HydrophobicContact CD2-CB 4.4Å; F128-D154 WeakPolarHBondContact CE2-OD2 3.26Å; F128-D154 PolarHBondContact N-O 3.44Å; Y152-D154 VanDerWaalsContact C-N 3.28Å; Y152-D154 WeakPolarHBondContact CB-OD1 3.38Å; Y152-D154 PolarHBondContact O-N 3.17Å
155I98.7Very high97.2Very high0 Ų049 Ų490%024%0.236CC..EExtended strand (participates in β ladder)trans-101.6134.9175.3-70.9158000109.9I76 H78 F128 L130 L145 E148 D149 Q157I76-I155 HydrophobicContact CB-CG2 4.33Å; I76-I155 HydrophobicContact CD1-CG2 3.97Å; I76-I155 HydrophobicContact CG2-CB 4.39Å; I76-I155 HydrophobicContact CG2-CG2 4.17Å; I76-I155 WeakPolarHBondContact CG2-O 3.21Å; H78-I155 PolarHBondContact CD2-O 3.41Å; H78-I155 PolarHBondContact NE2-O 2.73Å; F128-I155 HydrophobicContact CB-CG1 4.19Å; L130-I155 HydrophobicContact CD1-CB 4.36Å; L130-I155 HydrophobicContact CD1-CG1 4.11Å; L130-I155 HydrophobicContact CD1-CG2 3.61Å; L145-I155 HydrophobicContact CD1-CD1 3.62Å; L145-I155 HydrophobicContact CG-CD1 4.22Å; E148-I155 HydrophobicContact CB-CD1 4.27Å; E148-I155 HydrophobicContact CG-CD1 3.91Å; D149-I155 HydrophobicContact CB-CB 4.29Å; D149-I155 HydrophobicContact CB-CD1 4.03Å; D149-I155 WeakPolarHBondContact OD1-CB 3.26Å; D149-I155 PolarHBondContact OD1-N 3.47Å; I155-Q157 HydrophobicContact CG2-CB 4.39Å
156I98.5Very high97.1Very high0 Ų050.6 Ų50.60%025%0.245CC..EExtended strand (participates in β ladder)trans-116.2133.9161.159.9165.8000109.2I76 F92 L127 F128 A129 L130 L173 W177I76-I156 WeakPolarHBondContact O-CA 3.26Å; F92-I156 HydrophobicContact CD1-CD1 3.96Å; F92-I156 HydrophobicContact CE1-CD1 3.31Å; F92-I156 HydrophobicContact CE1-CG1 4.26Å; F92-I156 HydrophobicContact CZ-CD1 4.07Å; L127-I156 HydrophobicContact CD1-CG2 4.15Å; L127-I156 HydrophobicContact CD2-CG2 4.19Å; F128-I156 PolarHBondContact O-N 3.22Å; A129-I156 HydrophobicContact CB-CD1 4.4Å; A129-I156 HydrophobicContact CB-CG1 4.24Å; L130-I156 PolarHBondContact N-O 3.26Å; I156-L173 HydrophobicContact CD1-CD1 3.82Å; I156-L173 HydrophobicContact CD1-CD2 4.3Å; I156-L173 HydrophobicContact CD1-CG 3.87Å; I156-L173 HydrophobicContact CG1-CD1 4.4Å; I156-L173 HydrophobicContact CG1-CD2 4.36Å; I156-L173 HydrophobicContact CG1-CG 4.45Å; I156-W177 HydrophobicContact CD1-CB 4.11Å; I156-W177 HydrophobicContact CD1-CD2 4.5Å; I156-W177 HydrophobicContact CD1-CG 3.95Å
157Q98.5Very high97.1Very high0 Ų048.4 Ų48.40%023%0.234CC..EExtended strand (participates in β ladder)trans-137.4134.8-174.6-167-175.127.500111Y74 L75 I76 L130 G131 I155Y74-Q157 CarbonylContact C-O 3.43Å; Y74-Q157 WeakPolarHBondContact CA-O 3.46Å; L75-Q157 HydrophobicContact CB-CB 4.34Å; L75-Q157 HydrophobicContact CB-CG 4.33Å; L75-Q157 HydrophobicContact CD1-CG 4.34Å; L75-Q157 PolarHBondContact N-O 3.13Å; I76-Q157 HydrophobicContact CB-CB 3.86Å; I76-Q157 HydrophobicContact CD1-CB 4.3Å; I76-Q157 HydrophobicContact CG1-CB 4.09Å; I76-Q157 PolarHBondContact N-O 3.12Å; I76-Q157 PolarHBondContact O-N 3.31Å; L130-Q157 HydrophobicContact CB-CG 4.35Å; L130-Q157 WeakPolarHBondContact O-CA 3.47Å; G131-Q157 PolarHBondContact O-NE2 2.8Å; I155-Q157 HydrophobicContact CG2-CB 4.39Å
158Q97.8Very high97.1Very high26 Ų2641.6 Ų41.612%0.12121%0.209CC..EExtended strand (participates in β ladder)trans-117.1156.1170.9-92.5-179.4-21.900111.5H72 P73 Y74 L130 F160 L173H72-Q158 HydrophobicContact CB-CB 4.15Å; H72-Q158 HydrophobicContact CB-CG 4.42Å; H72-Q158 WeakPolarHBondContact O-CG 3.4Å; H72-Q158 PolarHBondContact O-NE2 2.54Å; H72-Q158 VanDerWaalsContact O-NE2 3.12Å; P73-Q158 WeakPolarHBondContact O-CA 3.47Å; Y74-Q158 HydrophobicContact CD1-CG 3.92Å; Y74-Q158 HydrophobicContact CE1-CG 4.12Å; Y74-Q158 HydrophobicContact CG-CG 4.23Å; L130-Q158 PolarHBondContact O-N 3.47Å; Q158-F160 VanDerWaalsContact C-N 3.27Å; Q158-F160 HydrophobicContact CB-CD1 3.76Å; Q158-F160 HydrophobicContact CB-CE1 3.59Å; Q158-F160 PolarHBondContact O-N 3.48Å; Q158-L173 HydrophobicContact CB-CD1 4.44Å; Q158-L173 HydrophobicContact CB-CD2 4.49Å; Q158-L173 HydrophobicContact CG-CD1 3.81Å
159D96Very high97Very high79 Ų7943.2 Ų43.242%0.42222%0.216SC..EExtended strand (participates in β ladder)trans-79.767.8-176.5-167.119.4000113.1H72 P73 L75H72-D159 PolarHBondContact ND1-O 3.12Å; P73-D159 HydrophobicContact CG-CB 4.05Å; P73-D159 PolarHBondContact O-N 3.47Å; L75-D159 HydrophobicContact CD1-CB 4.09Å; L75-D159 HydrophobicContact CD2-CB 4.11Å; L75-D159 HydrophobicContact CG-CB 4.06Å
160F95.7Very high96.9Very high8 Ų842.6 Ų42.64%0.03521%0.212CC..EExtended strand (participates in β ladder)trans-136.3143.8166.160.2-98.4000109.4H72 G131 T132 Q158 D162 N166 F169 K170H72-F160 HydrophobicContact CB-CD1 4.24Å; G131-F160 CarbonylContact C-O 3.42Å; G131-F160 WeakPolarHBondContact CA-O 3.29Å; T132-F160 PolarHBondContact N-O 3.42Å; T132-F160 PolarHBondContact OG1-O 2.96Å; Q158-F160 VanDerWaalsContact C-N 3.27Å; Q158-F160 HydrophobicContact CB-CD1 3.76Å; Q158-F160 HydrophobicContact CB-CE1 3.59Å; Q158-F160 PolarHBondContact O-N 3.48Å; F160-D162 PolarHBondContact O-N 2.77Å; F160-N166 HydrophobicContact CD2-CB 4.06Å; F160-F169 HydrophobicContact CB-CD2 4.48Å; F160-F169 HydrophobicContact CD1-CB 3.78Å; F160-F169 HydrophobicContact CD2-CB 4.12Å; F160-F169 HydrophobicContact CE1-CB 3.84Å; F160-F169 HydrophobicContact CE2-CB 4.2Å; F160-F169 HydrophobicContact CG-CB 3.93Å; F160-F169 HydrophobicContact CZ-CB 4.08Å; F160-K170 HydrophobicContact CE2-CB 4.29Å; F160-K170 HydrophobicContact CZ-CB 3.93Å
161T96Very high96.9Very high45 Ų4536.6 Ų36.628%0.27618%0.184SC..EExtended strand (participates in β ladder)trans-61125.1178.1-56.10000110.9T132 H134 S163 N166T132-T161 WeakPolarHBondContact OG1-CA 3.45Å; T132-T161 PolarHBondContact OG1-N 2.92Å; H134-T161 HydrophobicContact CB-CG2 4.4Å; T161-S163 PolarHBondContact O-N 2.98Å; T161-S163 VanDerWaalsContact O-N 3.12Å; T161-N166 WeakPolarHBondContact O-CB 3.17Å; T161-N166 PolarHBondContact O-ND2 2.86Å
162D96.2Very high96.9Very high25 Ų2534.9 Ų34.913%0.13417%0.172CC..  trans-67.6112.7176.4-151-49.4000110.2P97 G131 T132 F160 K170P97-D162 HydrophobicContact CG-CB 4.15Å; G131-D162 PolarHBondContact N-OD2 3.12Å; T132-D162 PolarHBondContact O-N 2.89Å; F160-D162 PolarHBondContact O-N 2.77Å; D162-K170 IonicContact OD1-NZ 3.91Å; D162-K170 PolarHBondContact OD1-NZ 2.89Å; D162-K170 VanDerWaalsContact OD2-CE 3.27Å; D162-K170 WeakPolarHBondContact OD2-CE 3.38Å; D162-K170 IonicContact OD2-NZ 3.33Å; D162-K170 PolarHBondContact OD2-NZ 3.36Å
163S95.3Very high96.9Very high41 Ų4130.6 Ų30.629%0.28716%0.156SC..SBendtrans-156.8161.2179.276.30000110.3T161 H165 N166 L167T161-S163 PolarHBondContact O-N 2.98Å; T161-S163 VanDerWaalsContact O-N 3.12Å; S163-H165 PolarHBondContact O-N 3.42Å; S163-N166 PolarHBondContact O-N 2.91Å; S163-N166 PolarHBondContact OG-N 2.9Å; S163-N166 PolarHBondContact OG-ND2 2.89Å; S163-L167 PolarHBondContact O-N 2.72Å
164F94Very high97Very high61 Ų6126 Ų2627%0.26813%0.134SC..G310 helixtrans-54.9-38.5176-178.6-95.8000112.8N166 L167 K235 Y236 Y279F164-N166 PolarHBondContact O-N 2.83Å; F164-L167 HydrophobicContact CD2-CD1 3.58Å; F164-L167 HydrophobicContact CE2-CD1 3.75Å; F164-L167 HydrophobicContact CG-CD1 4.3Å; F164-L167 VanDerWaalsContact O-CG 3.24Å; F164-L167 WeakPolarHBondContact O-CG 3.33Å; F164-L167 PolarHBondContact O-N 2.98Å; F164-K235 HydrophobicContact CE1-CB 4.48Å; F164-K235 WeakPolarHBondContact CE1-O 3.4Å; F164-K235 HydrophobicContact CZ-CG 4.48Å; F164-Y236 HydrophobicContact CE2-CE1 4.13Å; F164-Y236 AromaticContact CZ-CD1 3.74Å; F164-Y236 HydrophobicContact CZ-CD1 3.74Å; F164-Y236 AromaticContact CZ-CE1 3.79Å; F164-Y236 HydrophobicContact CZ-CE1 3.79Å; F164-Y279 HydrophobicContact CD1-CE2 4.45Å; F164-Y279 HydrophobicContact CE1-CD2 4.15Å; F164-Y279 AromaticContact CE1-CE2 3.86Å; F164-Y279 HydrophobicContact CE1-CE2 3.86Å
165H94.9Very high97Very high108 Ų10825.4 Ų25.450%0.513%0.131SC..G310 helixtrans-77.2-3.5-179.9-60.891.1000113.5S163 Y279S163-H165 PolarHBondContact O-N 3.42Å; H165-Y279 AromaticContact CD2-CD2 3.97Å; H165-Y279 AromaticContact CD2-CE2 3.89Å; H165-Y279 AromaticContact CD2-CZ 3.93Å; H165-Y279 WeakPolarHBondContact O-CB 3.35Å
166N96.2Very high96.9Very high36 Ų3625.7 Ų25.719%0.19313%0.134CC..G310 helixtrans-113.212.6176.6-71.3-18.4000112.1F160 T161 S163 F164 T168 F169 K170F160-N166 HydrophobicContact CD2-CB 4.06Å; T161-N166 WeakPolarHBondContact O-CB 3.17Å; T161-N166 PolarHBondContact O-ND2 2.86Å; S163-N166 PolarHBondContact O-N 2.91Å; S163-N166 PolarHBondContact OG-N 2.9Å; S163-N166 PolarHBondContact OG-ND2 2.89Å; F164-N166 PolarHBondContact O-N 2.83Å; N166-T168 PolarHBondContact O-N 3.09Å; N166-F169 HydrophobicContact CB-CD2 3.84Å; N166-F169 WeakPolarHBondContact O-CB 3.04Å; N166-F169 PolarHBondContact O-N 2.88Å; N166-F169 WeakPolarHBondContact OD1-CE2 3.29Å; N166-K170 PolarHBondContact O-N 3.35Å
167L97.2Very high96.9Very high26 Ų2625.7 Ų25.714%0.13613%0.134CC..Hα-helixtrans-58.6-33177.6-73.9175.1000112.3S163 F164 F169 K170 F171 D281S163-L167 PolarHBondContact O-N 2.72Å; F164-L167 HydrophobicContact CD2-CD1 3.58Å; F164-L167 HydrophobicContact CE2-CD1 3.75Å; F164-L167 HydrophobicContact CG-CD1 4.3Å; F164-L167 VanDerWaalsContact O-CG 3.24Å; F164-L167 WeakPolarHBondContact O-CG 3.33Å; F164-L167 PolarHBondContact O-N 2.98Å; L167-F169 VanDerWaalsContact C-N 3.34Å; L167-F169 PolarHBondContact O-N 3.43Å; L167-K170 CarbonylContact O-C 3.59Å; L167-K170 WeakPolarHBondContact O-CA 3.18Å; L167-K170 WeakPolarHBondContact O-CB 3.2Å; L167-K170 PolarHBondContact O-N 2.97Å; L167-K170 VanDerWaalsContact O-N 3.11Å; L167-F171 PolarHBondContact O-N 3.17Å; L167-D281 HydrophobicContact CB-CB 3.99Å
168T96.6Very high96.9Very high3 Ų326 Ų262%0.01814%0.136CC..Hα-helixtrans-67.2-32.8176.1-65.10000112.7N166 K170 F171 L172 M278 Y279 F284N166-T168 PolarHBondContact O-N 3.09Å; T168-K170 VanDerWaalsContact C-N 3.32Å; T168-F171 WeakPolarHBondContact O-CB 2.94Å; T168-F171 PolarHBondContact O-N 3.29Å; T168-L172 VanDerWaalsContact O-CG 3.29Å; T168-L172 WeakPolarHBondContact O-CG 3.23Å; T168-L172 PolarHBondContact O-N 2.88Å; T168-M278 WeakPolarHBondContact CB-O 3.33Å; T168-M278 PolarHBondContact OG1-O 3.42Å; T168-Y279 VanDerWaalsContact OG1-C 3.28Å; T168-Y279 WeakPolarHBondContact OG1-CA 3.4Å; T168-Y279 PolarHBondContact OG1-O 3.29Å; T168-F284 HydrophobicContact CG2-CB 4.31Å; T168-F284 HydrophobicContact CG2-CD1 3.61Å; T168-F284 HydrophobicContact CG2-CD2 4.42Å; T168-F284 HydrophobicContact CG2-CE1 3.97Å; T168-F284 HydrophobicContact CG2-CG 3.86Å
169F97Very high96.9Very high36 Ų3627.6 Ų27.616%0.15815%0.146CC..Hα-helixtrans-66.5-37.2170.4-60.7-50.4000111.6P70 H72 F160 N166 L167 F171 L172 L173P70-F169 HydrophobicContact CB-CE1 4.31Å; P70-F169 HydrophobicContact CB-CZ 4.49Å; P70-F169 HydrophobicContact CG-CE1 4.1Å; P70-F169 HydrophobicContact CG-CZ 4.13Å; H72-F169 AromaticContact NE2-CD1 3.92Å; H72-F169 AromaticContact NE2-CE1 3.94Å; F160-F169 HydrophobicContact CB-CD2 4.48Å; F160-F169 HydrophobicContact CD1-CB 3.78Å; F160-F169 HydrophobicContact CD2-CB 4.12Å; F160-F169 HydrophobicContact CE1-CB 3.84Å; F160-F169 HydrophobicContact CE2-CB 4.2Å; F160-F169 HydrophobicContact CG-CB 3.93Å; F160-F169 HydrophobicContact CZ-CB 4.08Å; N166-F169 HydrophobicContact CB-CD2 3.84Å; N166-F169 WeakPolarHBondContact O-CB 3.04Å; N166-F169 PolarHBondContact O-N 2.88Å; N166-F169 WeakPolarHBondContact OD1-CE2 3.29Å; L167-F169 VanDerWaalsContact C-N 3.34Å; L167-F169 PolarHBondContact O-N 3.43Å; F169-F171 VanDerWaalsContact C-N 3.34Å; F169-L172 HydrophobicContact CD1-CD1 4.24Å; F169-L172 PolarHBondContact O-N 2.71Å; F169-L173 WeakPolarHBondContact O-CB 3.37Å; F169-L173 PolarHBondContact O-N 2.92Å
170K97.5Very high97Very high4 Ų427.6 Ų27.62%0.01715%0.149CC..Hα-helixtrans-66.1-34.6172.6-168.4176.2-69.4-177.30112.2K94 T95 A129 F160 D162 N166 L167 T168 L173 Q174K94-K170 HydrophobicContact CB-CD 3.94Å; K94-K170 HydrophobicContact CD-CD 4.43Å; K94-K170 HydrophobicContact CG-CD 3.83Å; K94-K170 HydrophobicContact CG-CG 4.29Å; T95-K170 PolarHBondContact O-NZ 3.45Å; A129-K170 HydrophobicContact CB-CG 4.1Å; A129-K170 WeakPolarHBondContact O-CD 3.31Å; A129-K170 WeakPolarHBondContact O-CE 3.33Å; F160-K170 HydrophobicContact CE2-CB 4.29Å; F160-K170 HydrophobicContact CZ-CB 3.93Å; D162-K170 IonicContact OD1-NZ 3.91Å; D162-K170 PolarHBondContact OD1-NZ 2.89Å; D162-K170 VanDerWaalsContact OD2-CE 3.27Å; D162-K170 WeakPolarHBondContact OD2-CE 3.38Å; D162-K170 IonicContact OD2-NZ 3.33Å; D162-K170 PolarHBondContact OD2-NZ 3.36Å; N166-K170 PolarHBondContact O-N 3.35Å; L167-K170 CarbonylContact O-C 3.59Å; L167-K170 WeakPolarHBondContact O-CA 3.18Å; L167-K170 WeakPolarHBondContact O-CB 3.2Å; L167-K170 PolarHBondContact O-N 2.97Å; L167-K170 VanDerWaalsContact O-N 3.11Å; T168-K170 VanDerWaalsContact C-N 3.32Å; K170-L173 WeakPolarHBondContact O-CB 3.3Å; K170-Q174 VanDerWaalsContact O-CG 3.28Å; K170-Q174 WeakPolarHBondContact O-CG 3.42Å; K170-Q174 PolarHBondContact O-N 3.17Å; K170-Q174 PolarHBondContact O-NE2 3.5Å
171F98Very high97.1Very high0 Ų029.2 Ų29.20%016%0.156CC..Hα-helixtrans-62.5-49.4170167-88.3000111.4L167 T168 F169 L173 Q174 F175 Y257 I267 D281 F284 M285L167-F171 PolarHBondContact O-N 3.17Å; T168-F171 WeakPolarHBondContact O-CB 2.94Å; T168-F171 PolarHBondContact O-N 3.29Å; F169-F171 VanDerWaalsContact C-N 3.34Å; F171-L173 VanDerWaalsContact C-N 3.3Å; F171-L173 PolarHBondContact O-N 3.42Å; F171-Q174 PolarHBondContact O-N 2.77Å; F171-Q174 VanDerWaalsContact O-N 3.1Å; F171-F175 HydrophobicContact CD1-CD2 4.46Å; F171-F175 AromaticContact CD2-CD2 3.76Å; F171-F175 HydrophobicContact CD2-CD2 3.76Å; F171-F175 AromaticContact CD2-CE2 3.57Å; F171-F175 HydrophobicContact CD2-CE2 3.57Å; F171-F175 HydrophobicContact CE1-CD2 4.21Å; F171-F175 AromaticContact CE2-CD2 3.48Å; F171-F175 HydrophobicContact CE2-CD2 3.48Å; F171-F175 VanDerWaalsContact CE2-CD2 3.48Å; F171-F175 AromaticContact CE2-CE2 3.12Å; F171-F175 HydrophobicContact CE2-CE2 3.12Å; F171-F175 HydrophobicContact CE2-CG 4.44Å; F171-F175 AromaticContact CE2-CZ 3.82Å; F171-F175 HydrophobicContact CE2-CZ 3.82Å; F171-F175 HydrophobicContact CG-CD2 4.25Å; F171-F175 HydrophobicContact CG-CE2 4.48Å; F171-F175 AromaticContact CZ-CD2 3.73Å; F171-F175 HydrophobicContact CZ-CD2 3.73Å; F171-F175 AromaticContact CZ-CE2 3.73Å; F171-F175 HydrophobicContact CZ-CE2 3.73Å; F171-F175 HydrophobicContact CZ-CG 4.31Å; F171-F175 HydrophobicContact CZ-CZ 4.27Å; F171-F175 PolarHBondContact O-N 3.47Å; F171-F175 VanDerWaalsContact O-N 3.11Å; F171-Y257 WeakPolarHBondContact CE2-OH 3.39Å; F171-I267 HydrophobicContact CE1-CG2 4.35Å; F171-I267 HydrophobicContact CE2-CG2 4.34Å; F171-I267 HydrophobicContact CZ-CG2 3.53Å; F171-D281 HydrophobicContact CB-CB 4.1Å; F171-F284 AromaticContact CD1-CD1 3.74Å; F171-F284 HydrophobicContact CD1-CD1 3.74Å; F171-F284 HydrophobicContact CD1-CE1 4.02Å; F171-F284 AromaticContact CE1-CD1 3.64Å; F171-F284 HydrophobicContact CE1-CD1 3.64Å; F171-F284 AromaticContact CE1-CE1 3.78Å; F171-F284 HydrophobicContact CE1-CE1 3.78Å; F171-F284 HydrophobicContact CZ-CD1 4.44Å; F171-M285 HydrophobicContact CE2-CB 3.73Å; F171-M285 HydrophobicContact CE2-CG 4.19Å; F171-M285 HydrophobicContact CE2-SD 3.73Å; F171-M285 HydrophobicContact CZ-CB 4.2Å; F171-M285 HydrophobicContact CZ-SD 3.96Å
172L97.4Very high97.2Very high33 Ų3327.2 Ų27.217%0.17314%0.144CC..Hα-helixtrans-60.7-39.1178.5-68.4172.7000112.1T168 F169 Q174 G176 F284T168-L172 VanDerWaalsContact O-CG 3.29Å; T168-L172 WeakPolarHBondContact O-CG 3.23Å; T168-L172 PolarHBondContact O-N 2.88Å; F169-L172 HydrophobicContact CD1-CD1 4.24Å; F169-L172 PolarHBondContact O-N 2.71Å; L172-Q174 PolarHBondContact O-N 2.8Å; L172-G176 WeakPolarHBondContact O-CA 3.29Å; L172-G176 PolarHBondContact O-N 3.09Å; L172-F284 HydrophobicContact CD2-CE1 4.05Å
173L97.9Very high97.2Very high1 Ų129.2 Ų29.21%0.00516%0.158CC..Hα-helixtrans-53-52171.2168.257.6000111.3Y74 A129 I156 Q158 F169 K170 F171 W177Y74-L173 HydrophobicContact CD1-CD1 4.15Å; Y74-L173 HydrophobicContact CE1-CD1 3.37Å; A129-L173 HydrophobicContact CB-CD2 4.12Å; I156-L173 HydrophobicContact CD1-CD1 3.82Å; I156-L173 HydrophobicContact CD1-CD2 4.3Å; I156-L173 HydrophobicContact CD1-CG 3.87Å; I156-L173 HydrophobicContact CG1-CD1 4.4Å; I156-L173 HydrophobicContact CG1-CD2 4.36Å; I156-L173 HydrophobicContact CG1-CG 4.45Å; Q158-L173 HydrophobicContact CB-CD1 4.44Å; Q158-L173 HydrophobicContact CB-CD2 4.49Å; Q158-L173 HydrophobicContact CG-CD1 3.81Å; F169-L173 WeakPolarHBondContact O-CB 3.37Å; F169-L173 PolarHBondContact O-N 2.92Å; K170-L173 WeakPolarHBondContact O-CB 3.3Å; F171-L173 VanDerWaalsContact C-N 3.3Å; F171-L173 PolarHBondContact O-N 3.42Å; L173-W177 WeakPolarHBondContact O-CB 3.33Å; L173-W177 PolarHBondContact O-N 2.95Å
174Q98.6Very high97.3Very high1 Ų131 Ų311%0.00516%0.161CC..Hα-helixtrans-63.9-52.6-175.7-68.71678200112F92 A129 K170 F171 L172 W177 A178 T190F92-Q174 HydrophobicContact CB-CB 4.36Å; F92-Q174 HydrophobicContact CB-CG 3.71Å; F92-Q174 HydrophobicContact CD1-CB 4.49Å; F92-Q174 HydrophobicContact CD1-CG 4.01Å; F92-Q174 HydrophobicContact CD2-CB 3.6Å; F92-Q174 HydrophobicContact CD2-CG 3.85Å; F92-Q174 HydrophobicContact CE2-CB 3.87Å; F92-Q174 HydrophobicContact CE2-CG 4.41Å; F92-Q174 WeakPolarHBondContact CE2-O 2.94Å; F92-Q174 HydrophobicContact CG-CB 3.91Å; F92-Q174 HydrophobicContact CG-CG 3.59Å; F92-Q174 HydrophobicContact CZ-CB 4.45Å; A129-Q174 HydrophobicContact CB-CG 3.84Å; K170-Q174 VanDerWaalsContact O-CG 3.28Å; K170-Q174 WeakPolarHBondContact O-CG 3.42Å; K170-Q174 PolarHBondContact O-N 3.17Å; K170-Q174 PolarHBondContact O-NE2 3.5Å; F171-Q174 PolarHBondContact O-N 2.77Å; F171-Q174 VanDerWaalsContact O-N 3.1Å; L172-Q174 PolarHBondContact O-N 2.8Å; Q174-W177 PolarHBondContact O-N 3.24Å; Q174-A178 WeakPolarHBondContact O-CB 3.36Å; Q174-A178 PolarHBondContact O-N 3.29Å; Q174-T190 PolarHBondContact OE1-OG1 3.46Å
175F98.4Very high97.5Very high1 Ų128.3 Ų28.30%0.00415%0.151CC..Hα-helixtrans-69.3-38.5-178.1-80.2-96000112.3F171 N179 L188 Y257 V259 A264 I267 Y268 M285F171-F175 HydrophobicContact CD1-CD2 4.46Å; F171-F175 AromaticContact CD2-CD2 3.76Å; F171-F175 HydrophobicContact CD2-CD2 3.76Å; F171-F175 AromaticContact CD2-CE2 3.57Å; F171-F175 HydrophobicContact CD2-CE2 3.57Å; F171-F175 HydrophobicContact CE1-CD2 4.21Å; F171-F175 AromaticContact CE2-CD2 3.48Å; F171-F175 HydrophobicContact CE2-CD2 3.48Å; F171-F175 VanDerWaalsContact CE2-CD2 3.48Å; F171-F175 AromaticContact CE2-CE2 3.12Å; F171-F175 HydrophobicContact CE2-CE2 3.12Å; F171-F175 HydrophobicContact CE2-CG 4.44Å; F171-F175 AromaticContact CE2-CZ 3.82Å; F171-F175 HydrophobicContact CE2-CZ 3.82Å; F171-F175 HydrophobicContact CG-CD2 4.25Å; F171-F175 HydrophobicContact CG-CE2 4.48Å; F171-F175 AromaticContact CZ-CD2 3.73Å; F171-F175 HydrophobicContact CZ-CD2 3.73Å; F171-F175 AromaticContact CZ-CE2 3.73Å; F171-F175 HydrophobicContact CZ-CE2 3.73Å; F171-F175 HydrophobicContact CZ-CG 4.31Å; F171-F175 HydrophobicContact CZ-CZ 4.27Å; F171-F175 PolarHBondContact O-N 3.47Å; F171-F175 VanDerWaalsContact O-N 3.11Å; F175-N179 VanDerWaalsContact O-CB 3.29Å; F175-N179 WeakPolarHBondContact O-CB 3Å; F175-N179 PolarHBondContact O-N 3.44Å; F175-L188 HydrophobicContact CD1-CD2 4.37Å; F175-L188 HydrophobicContact CE1-CD2 3.82Å; F175-L188 HydrophobicContact CE2-CD2 4.08Å; F175-L188 HydrophobicContact CZ-CD2 3.66Å; F175-Y257 HydrophobicContact CE2-CE2 4.5Å; F175-Y257 WeakPolarHBondContact CE2-OH 3.34Å; F175-Y257 HydrophobicContact CZ-CE2 4.1Å; F175-V259 HydrophobicContact CE1-CG2 4.41Å; F175-A264 HydrophobicContact CD1-CB 4.45Å; F175-A264 HydrophobicContact CE1-CB 4.36Å; F175-I267 HydrophobicContact CD1-CB 3.87Å; F175-I267 HydrophobicContact CD1-CG2 3.56Å; F175-I267 HydrophobicContact CE1-CB 3.7Å; F175-I267 HydrophobicContact CE1-CG1 4.29Å; F175-I267 HydrophobicContact CE1-CG2 3.44Å; F175-I267 VanDerWaalsContact CE1-CG2 3.44Å; F175-I267 HydrophobicContact CE2-CG2 4.46Å; F175-I267 HydrophobicContact CG-CG2 4.12Å; F175-I267 HydrophobicContact CZ-CG2 3.93Å; F175-Y268 HydrophobicContact CB-CD2 4.43Å; F175-M285 HydrophobicContact CZ-CE 4.48Å; F175-M285 HydrophobicContact CZ-SD 3.98Å
176G97.7Very high97.7Very high6 Ų627.8 Ų27.86%0.06214%0.144CC..Hα-helixtrans-65.6-41.8174.900000112.6L172 T180L172-G176 WeakPolarHBondContact O-CA 3.29Å; L172-G176 PolarHBondContact O-N 3.09Å; G176-T180 WeakPolarHBondContact O-CB 3.46Å; G176-T180 PolarHBondContact O-N 2.92Å; G176-T180 PolarHBondContact O-OG1 3.45Å
177W98.5Very high97.8Very high0 Ų026.3 Ų26.30%014%0.136CC..Hα-helixtrans-65.1-47.4176.3-169.299.5000111.3Y74 N77 H78 K81 L90 F92 L127 I156 L173 Q174 N179 T180 F181 C182Y74-W177 AromaticContact CE1-CD1 3.78Å; N77-W177 PolarHBondContact OD1-NE1 3.17Å; H78-W177 WeakPolarHBondContact O-CZ2 3.06Å; K81-W177 HydrophobicContact CB-CH2 4.09Å; K81-W177 HydrophobicContact CB-CZ2 4.31Å; L90-W177 HydrophobicContact CD1-CZ3 4.1Å; L90-W177 HydrophobicContact CD2-CE3 4.09Å; L90-W177 HydrophobicContact CD2-CZ3 3.84Å; F92-W177 HydrophobicContact CE1-CE3 4.24Å; F92-W177 HydrophobicContact CZ-CB 4.17Å; F92-W177 HydrophobicContact CZ-CD2 4.11Å; F92-W177 AromaticContact CZ-CE3 3.58Å; F92-W177 HydrophobicContact CZ-CE3 3.58Å; F92-W177 HydrophobicContact CZ-CG 4.37Å; F92-W177 HydrophobicContact CZ-CZ3 4.34Å; L127-W177 HydrophobicContact CD1-CD2 4.02Å; L127-W177 HydrophobicContact CD1-CE3 3.82Å; L127-W177 HydrophobicContact CD1-CH2 3.33Å; L127-W177 HydrophobicContact CD1-CZ2 3.53Å; L127-W177 HydrophobicContact CD1-CZ3 3.46Å; L127-W177 VanDerWaalsContact CD1-CZ3 3.46Å; I156-W177 HydrophobicContact CD1-CB 4.11Å; I156-W177 HydrophobicContact CD1-CD2 4.5Å; I156-W177 HydrophobicContact CD1-CG 3.95Å; L173-W177 WeakPolarHBondContact O-CB 3.33Å; L173-W177 PolarHBondContact O-N 2.95Å; Q174-W177 PolarHBondContact O-N 3.24Å; W177-N179 PolarHBondContact O-N 3.33Å; W177-T180 PolarHBondContact O-N 3.43Å; W177-F181 AromaticContact CD1-CD2 3.47Å; W177-F181 VanDerWaalsContact CD1-CD2 3.47Å; W177-F181 AromaticContact CD1-CE2 3.87Å; W177-F181 HydrophobicContact CD2-CB 4.18Å; W177-F181 AromaticContact CD2-CD2 3.94Å; W177-F181 HydrophobicContact CD2-CD2 3.94Å; W177-F181 AromaticContact CE2-CD2 3.74Å; W177-F181 HydrophobicContact CE3-CB 4.33Å; W177-F181 AromaticContact CG-CD2 3.79Å; W177-F181 HydrophobicContact CG-CD2 3.79Å; W177-F181 HydrophobicContact CG-CE2 4.47Å; W177-F181 HydrophobicContact CH2-CB 4.07Å; W177-F181 HydrophobicContact CZ2-CB 3.89Å; W177-F181 HydrophobicContact CZ2-CD2 4.45Å; W177-F181 HydrophobicContact CZ2-CG 4.49Å; W177-F181 HydrophobicContact CZ3-CB 4.31Å; W177-F181 AromaticContact NE1-CD2 3.42Å; W177-F181 PolarHBondContact O-N 2.86Å; W177-C182 HydrophobicContact CE3-CB 4.35Å; W177-C182 HydrophobicContact CH2-CB 4.32Å; W177-C182 HydrophobicContact CZ3-CB 3.61Å
178A98.4Very high97.9Very high6 Ų625.2 Ų25.25%0.0513%0.131CC..Hα-helixtrans-57.2-49.6177.300000111.8L90 F92 Q174 T180 C182 L188L90-A178 HydrophobicContact CD2-CB 3.77Å; F92-A178 HydrophobicContact CE2-CB 4.11Å; Q174-A178 WeakPolarHBondContact O-CB 3.36Å; Q174-A178 PolarHBondContact O-N 3.29Å; A178-T180 PolarHBondContact O-N 3.22Å; A178-C182 CarbonylContact O-C 3.52Å; A178-C182 WeakPolarHBondContact O-CA 3.24Å; A178-C182 PolarHBondContact O-N 2.97Å; A178-L188 HydrophobicContact CB-CD1 3.39Å
179N97.8Very high98Very high59 Ų5925.1 Ų25.132%0.31613%0.13SC..Hα-helixtrans-62.9-32.2179.9-172.580.7000112.6F175 W177 P183 Y268F175-N179 VanDerWaalsContact O-CB 3.29Å; F175-N179 WeakPolarHBondContact O-CB 3Å; F175-N179 PolarHBondContact O-N 3.44Å; W177-N179 PolarHBondContact O-N 3.33Å; N179-P183 WeakPolarHBondContact O-CB 3.33Å; N179-Y268 HydrophobicContact CB-CD1 3.63Å; N179-Y268 HydrophobicContact CB-CE1 4.17Å; N179-Y268 HydrophobicContact CB-CG 3.92Å; N179-Y268 VanDerWaalsContact ND2-CD1 3.32Å; N179-Y268 WeakPolarHBondContact ND2-CD1 2.94Å; N179-Y268 WeakPolarHBondContact ND2-CE1 3.47Å
180T97.4Very high98.1Very high80 Ų8023.4 Ų23.449%0.49112%0.123SC..Hα-helixtrans-85.9-45.1-176.3-530000112.8G176 W177 A178G176-T180 WeakPolarHBondContact O-CB 3.46Å; G176-T180 PolarHBondContact O-N 2.92Å; G176-T180 PolarHBondContact O-OG1 3.45Å; W177-T180 PolarHBondContact O-N 3.43Å; A178-T180 PolarHBondContact O-N 3.22Å
181F98Very high98.1Very high42 Ų4223.2 Ų23.218%0.18412%0.122CC..Hα-helixtrans-113.9-13.7-167.3-56.7-63.4000113.9R79 W177R79-F181 HydrophobicContact CB-CD1 3.71Å; R79-F181 HydrophobicContact CB-CE1 3.8Å; R79-F181 HydrophobicContact CB-CG 4.34Å; R79-F181 HydrophobicContact CB-CZ 4.47Å; R79-F181 HydrophobicContact CG-CD1 3.91Å; R79-F181 HydrophobicContact CG-CE1 3.51Å; R79-F181 HydrophobicContact CG-CE2 4.33Å; R79-F181 HydrophobicContact CG-CG 4.48Å; R79-F181 HydrophobicContact CG-CZ 3.75Å; W177-F181 AromaticContact CD1-CD2 3.47Å; W177-F181 VanDerWaalsContact CD1-CD2 3.47Å; W177-F181 AromaticContact CD1-CE2 3.87Å; W177-F181 HydrophobicContact CD2-CB 4.18Å; W177-F181 AromaticContact CD2-CD2 3.94Å; W177-F181 HydrophobicContact CD2-CD2 3.94Å; W177-F181 AromaticContact CE2-CD2 3.74Å; W177-F181 HydrophobicContact CE3-CB 4.33Å; W177-F181 AromaticContact CG-CD2 3.79Å; W177-F181 HydrophobicContact CG-CD2 3.79Å; W177-F181 HydrophobicContact CG-CE2 4.47Å; W177-F181 HydrophobicContact CH2-CB 4.07Å; W177-F181 HydrophobicContact CZ2-CB 3.89Å; W177-F181 HydrophobicContact CZ2-CD2 4.45Å; W177-F181 HydrophobicContact CZ2-CG 4.49Å; W177-F181 HydrophobicContact CZ3-CB 4.31Å; W177-F181 AromaticContact NE1-CD2 3.42Å; W177-F181 PolarHBondContact O-N 2.86Å
182C98.3Very high98.1Very high3 Ų325.1 Ų25.12%0.0213%0.132CC..  trans-141.543.1179.9-154.70000113.4C82 L90 W177 A178 H184 A185C82-C182 HydrophobicContact CB-CB 3.67Å; C82-C182 WeakPolarHBondContact CB-SG 3.21Å; C82-C182 WeakPolarHBondContact SG-CB 3.21Å; C82-C182 CovalentContact SG-SG 2.04Å; C82-C182 PolarHBondContact SG-SG 3.3Å; L90-C182 HydrophobicContact CD2-CB 3.77Å; W177-C182 HydrophobicContact CE3-CB 4.35Å; W177-C182 HydrophobicContact CH2-CB 4.32Å; W177-C182 HydrophobicContact CZ3-CB 3.61Å; A178-C182 CarbonylContact O-C 3.52Å; A178-C182 WeakPolarHBondContact O-CA 3.24Å; A178-C182 PolarHBondContact O-N 2.97Å; C182-H184 PolarHBondContact O-N 3.4Å; C182-A185 PolarHBondContact O-N 3.44Å; C182-A185 VanDerWaalsContact O-N 3.16Å
183P97.2Very high98.2Very high67 Ų6724 Ų2444%0.43513%0.126SC..THydrogen-bonded Turntrans-69.7-1.4-174.430.2-37.6000113.8N179 N261N179-P183 WeakPolarHBondContact O-CB 3.33Å; P183-N261 PolarHBondContact O-ND2 2.54Å; P183-N261 PolarHBondContact O-OD1 3.45Å
184H97.2Very high98.2Very high77 Ų7725.3 Ų25.336%0.35613%0.133SC..THydrogen-bonded Turntrans-103.2-5.6178.958.3-86.1000112.8C82 Q85 C182 R186C82-H184 PolarHBondContact O-CE1 3.39Å; C82-H184 PolarHBondContact O-NE2 3.33Å; C82-H184 VanDerWaalsContact O-NE2 3.13Å; Q85-H184 PolarHBondContact O-CD2 3.33Å; Q85-H184 PolarHBondContact O-NE2 2.95Å; C182-H184 PolarHBondContact O-N 3.4Å; H184-R186 PolarHBondContact O-N 2.71Å
185A98.5Very high98.1Very high5 Ų525.3 Ų25.34%0.04113%0.133CC..  trans-61.5126.6174.900000110.1V87 L90 C182 F187 N261V87-A185 HydrophobicContact CB-CB 4.12Å; V87-A185 HydrophobicContact CG1-CB 3.89Å; V87-A185 WeakPolarHBondContact O-CA 3.26Å; L90-A185 HydrophobicContact CB-CB 3.85Å; C182-A185 PolarHBondContact O-N 3.44Å; C182-A185 VanDerWaalsContact O-N 3.16Å; A185-F187 VanDerWaalsContact C-N 3.33Å; A185-F187 PolarHBondContact O-N 3.25Å; A185-N261 VanDerWaalsContact O-CB 3.29Å; A185-N261 WeakPolarHBondContact O-CB 3.33Å; A185-N261 PolarHBondContact O-ND2 2.98Å
186R98.4Very high98.1Very high97 Ų9725.3 Ų25.337%0.36613%0.133SC..SBendtrans-67.6-36.4-170.8-59.3-178.7-171.6-147.29112.3D86 V87 H184 E210 N261D86-R186 IonicContact OD1-CZ 3.38Å; D86-R186 IonicContact OD1-NE 3.09Å; D86-R186 PolarHBondContact OD1-NE 3.25Å; D86-R186 IonicContact OD1-NH2 3.9Å; D86-R186 PolarHBondContact OD1-NH2 2.95Å; D86-R186 IonicContact OD2-CZ 3.91Å; D86-R186 IonicContact OD2-NE 3.97Å; D86-R186 IonicContact OD2-NH2 3.41Å; D86-R186 PolarHBondContact OD2-NH2 3.48Å; V87-R186 PolarHBondContact O-N 3.12Å; H184-R186 PolarHBondContact O-N 2.71Å; R186-E210 WeakPolarHBondContact CD-OE1 3.32Å; R186-E210 IonicContact CZ-OE1 3.15Å; R186-E210 IonicContact NE-OE1 3.63Å; R186-E210 PolarHBondContact NE-OE1 2.93Å; R186-E210 IonicContact NH1-OE1 3.62Å; R186-E210 PolarHBondContact NH1-OE1 3.02Å; R186-E210 IonicContact NH2-OE1 3.72Å; R186-N261 PolarHBondContact O-N 3.18Å
187F98.9Very high98.2Very high5 Ų525 Ų252%0.02213%0.13CC..EExtended strand (participates in β ladder)trans-129.4148173.1-58.9-78.1000111.5L88 L89 L90 A185 L206 L209 E210 V214 F217 V258 V259L88-F187 HydrophobicContact CD1-CD2 4.02Å; L88-F187 HydrophobicContact CD1-CE2 4.07Å; L88-F187 PolarHBondContact O-N 2.87Å; L89-F187 WeakPolarHBondContact CA-O 3.43Å; L89-F187 HydrophobicContact CD1-CB 3.98Å; L90-F187 PolarHBondContact N-O 3.47Å; A185-F187 VanDerWaalsContact C-N 3.33Å; A185-F187 PolarHBondContact O-N 3.25Å; F187-L206 HydrophobicContact CB-CD1 4.44Å; F187-L206 HydrophobicContact CB-CD2 4.48Å; F187-L206 HydrophobicContact CD1-CD2 4.18Å; F187-L206 HydrophobicContact CD2-CB 4.07Å; F187-L206 HydrophobicContact CD2-CD1 4.34Å; F187-L206 HydrophobicContact CD2-CD2 4.04Å; F187-L206 HydrophobicContact CD2-CG 4.36Å; F187-L206 HydrophobicContact CE1-CD2 4.46Å; F187-L206 HydrophobicContact CE2-CB 4.1Å; F187-L206 HydrophobicContact CE2-CD2 4.32Å; F187-L206 WeakPolarHBondContact CE2-O 3.38Å; F187-L206 HydrophobicContact CG-CD2 3.97Å; F187-L209 HydrophobicContact CE1-CB 4.3Å; F187-L209 HydrophobicContact CE1-CD1 4.34Å; F187-L209 HydrophobicContact CZ-CB 3.68Å; F187-L209 HydrophobicContact CZ-CD1 4.41Å; F187-E210 HydrophobicContact CE2-CB 4.23Å; F187-V214 HydrophobicContact CE1-CG1 3.71Å; F187-V214 HydrophobicContact CZ-CG1 3.95Å; F187-F217 HydrophobicContact CE1-CD1 4.34Å; F187-V258 HydrophobicContact CB-CG1 3.99Å; F187-V258 HydrophobicContact CD1-CG1 4.16Å; F187-V258 HydrophobicContact CG-CG1 4.38Å; F187-V259 WeakPolarHBondContact CA-O 2.96Å
188L98.8Very high98.2Very high4 Ų425.4 Ų25.42%0.02113%0.132CC..EExtended strand (participates in β ladder)trans-116.2130168.5177.2120.9000108.7L90 F92 F175 A178 V258 V259 A264L90-L188 HydrophobicContact CD2-CD1 4.03Å; L90-L188 HydrophobicContact CG-CD1 4.39Å; L90-L188 CarbonylContact O-C 3.51Å; L90-L188 WeakPolarHBondContact O-CA 3.31Å; F92-L188 HydrophobicContact CD2-CD1 3.83Å; F92-L188 HydrophobicContact CD2-CG 4.48Å; F92-L188 HydrophobicContact CE2-CD1 3.67Å; F175-L188 HydrophobicContact CD1-CD2 4.37Å; F175-L188 HydrophobicContact CE1-CD2 3.82Å; F175-L188 HydrophobicContact CE2-CD2 4.08Å; F175-L188 HydrophobicContact CZ-CD2 3.66Å; A178-L188 HydrophobicContact CB-CD1 3.39Å; L188-V258 CarbonylContact O-C 3.58Å; L188-V258 WeakPolarHBondContact O-CA 3.06Å; L188-V259 HydrophobicContact CB-CG2 3.81Å; L188-V259 HydrophobicContact CD2-CG2 3.76Å; L188-V259 HydrophobicContact CG-CG2 4.42Å; L188-V259 PolarHBondContact N-O 3.24Å; L188-V259 PolarHBondContact O-N 3.23Å; L188-A264 HydrophobicContact CB-CB 4.25Å
189M98.8Very high98.2Very high0 Ų025.1 Ų25.10%013%0.129CC..EExtended strand (participates in β ladder)trans-119.3141171.2-177.1173.7-177.900109.7L89 L90 L91 F92 A191 I197 L202 A256 Y257 V258 F302 T320L89-M189 HydrophobicContact CD1-CB 3.71Å; L90-M189 PolarHBondContact O-N 3.08Å; L91-M189 WeakPolarHBondContact CA-O 3.38Å; L91-M189 HydrophobicContact CD1-CB 3.66Å; L91-M189 HydrophobicContact CD1-CG 3.51Å; L91-M189 HydrophobicContact CD1-SD 3.82Å; F92-M189 PolarHBondContact N-O 2.71Å; M189-A191 HydrophobicContact CE-CB 4.48Å; M189-I197 HydrophobicContact CE-CD1 3.47Å; M189-I197 VanDerWaalsContact CE-CD1 3.47Å; M189-I197 HydrophobicContact CE-CG1 3.89Å; M189-I197 HydrophobicContact CE-CG2 4.4Å; M189-I197 HydrophobicContact SD-CD1 4.03Å; M189-L202 HydrophobicContact CE-CD2 4.42Å; M189-L202 HydrophobicContact SD-CD2 3.53Å; M189-L202 VanDerWaalsContact SD-CD2 3.53Å; M189-A256 HydrophobicContact CE-CB 3.94Å; M189-Y257 WeakPolarHBondContact CA-O 3.47Å; M189-Y257 WeakPolarHBondContact CG-O 3.39Å; M189-V258 HydrophobicContact CB-CG2 3.96Å; M189-V258 HydrophobicContact CG-CG2 3.81Å; M189-V258 HydrophobicContact SD-CG2 3.91Å; M189-F302 HydrophobicContact CE-CE1 4.46Å; M189-T320 HydrophobicContact CE-CG2 4.03Å
190T98.6Very high98.2Very high1 Ų122.9 Ų22.91%0.00612%0.118CC..EExtended strand (participates in β ladder)trans-113.3146.7163.1-168.90000108.9F92 Q174 A256 Y257F92-T190 CarbonylContact O-C 3.55Å; F92-T190 WeakPolarHBondContact O-CA 3.33Å; Q174-T190 PolarHBondContact OE1-OG1 3.46Å; T190-A256 VanDerWaalsContact O-CA 3.24Å; T190-A256 WeakPolarHBondContact O-CA 3.38Å; T190-Y257 HydrophobicContact CG2-CD1 3.54Å; T190-Y257 HydrophobicContact CG2-CD2 4.02Å; T190-Y257 HydrophobicContact CG2-CE1 3.13Å; T190-Y257 HydrophobicContact CG2-CE2 3.63Å; T190-Y257 HydrophobicContact CG2-CG 3.97Å; T190-Y257 PolarHBondContact N-O 3.19Å; T190-Y257 PolarHBondContact O-N 2.72Å
191A98.5Very high98.2Very high0 Ų019.9 Ų19.90%010%0.099CC..EExtended strand (participates in β ladder)trans-148.5150.9172.200000111.5L91 F92 I93 K94 M189 I195 I197 A255 A256L91-A191 HydrophobicContact CD1-CB 4.36Å; F92-A191 PolarHBondContact O-N 2.89Å; I93-A191 CarbonylContact C-O 3.58Å; I93-A191 WeakPolarHBondContact CA-O 3.37Å; K94-A191 PolarHBondContact N-O 3.37Å; M189-A191 HydrophobicContact CE-CB 4.48Å; A191-I195 HydrophobicContact CB-CB 4.42Å; A191-I197 HydrophobicContact CB-CD1 3.91Å; A191-A255 CarbonylContact C-O 3.3Å; A191-A255 VanDerWaalsContact CA-O 3.23Å; A191-A255 WeakPolarHBondContact CA-O 3.21Å; A191-A256 HydrophobicContact CB-CB 4.18Å
192D98Very high98.3Very high39 Ų3917.9 Ų17.921%0.2099%0.091CC..EExtended strand (participates in β ladder)trans-75.5156.1167.4-67.5-28.7000111.3K94 D194 I195 A255K94-D192 WeakPolarHBondContact CE-OD1 3.17Å; K94-D192 IonicContact NZ-OD1 3.27Å; K94-D192 PolarHBondContact NZ-OD1 3.23Å; K94-D192 IonicContact NZ-OD2 2.73Å; D192-D194 WeakPolarHBondContact CB-OD1 3.5Å; D192-D194 PolarHBondContact O-N 2.82Å; D192-I195 HydrophobicContact CB-CG1 4.02Å; D192-I195 WeakPolarHBondContact O-CB 3.16Å; D192-I195 PolarHBondContact O-N 3.47Å; D192-I195 VanDerWaalsContact O-N 3.12Å; D192-A255 PolarHBondContact N-O 2.84Å
193D98.1Very high98.3Very high11 Ų1117.9 Ų17.96%0.0599%0.09CC..THydrogen-bonded Turntrans-72.6-1.3-177.972.212.1000115.8I93 K94 T95 N99 R102 I106I93-D193 HydrophobicContact CG2-CB 3.99Å; K94-D193 PolarHBondContact O-N 3.25Å; T95-D193 WeakPolarHBondContact CA-OD2 3.48Å; T95-D193 WeakPolarHBondContact CB-OD2 3.42Å; T95-D193 PolarHBondContact OG1-OD2 3.15Å; N99-D193 WeakPolarHBondContact CB-OD2 3.17Å; N99-D193 PolarHBondContact ND2-OD2 3.07Å; R102-D193 HydrophobicContact CB-CB 4.32Å; R102-D193 VanDerWaalsContact CD-CG 3.46Å; R102-D193 VanDerWaalsContact CD-OD1 3.23Å; R102-D193 WeakPolarHBondContact CD-OD1 3.25Å; R102-D193 IonicContact CZ-OD1 2.87Å; R102-D193 IonicContact NE-OD1 3.78Å; R102-D193 IonicContact NH1-OD1 3.35Å; R102-D193 PolarHBondContact NH1-OD1 2.93Å; I106-D193 HydrophobicContact CD1-CB 4.23Å
194D97.6Very high98.3Very high28 Ų2820.6 Ų20.615%0.1510%0.097CC..THydrogen-bonded Turntrans-108.312171.270.5-17.7000113.1D192 H322 G323 H324 S325D192-D194 WeakPolarHBondContact CB-OD1 3.5Å; D192-D194 PolarHBondContact O-N 2.82Å; D194-H322 IonicContact OD1-CE1 3.41Å; D194-H322 IonicContact OD2-CE1 3.69Å; D194-H322 PolarHBondContact OD2-CE1 2.82Å; D194-H322 IonicContact OD2-ND1 2.73Å; D194-G323 PolarHBondContact O-N 3.11Å; D194-H324 PolarHBondContact O-N 3.29Å; D194-S325 WeakPolarHBondContact CB-OG 3.46Å
195I98.1Very high98.4Very high1 Ų120.2 Ų20.21%0.0059%0.093CC..EExtended strand (participates in β ladder)trans-90.7130.9172.2-55.8-51.2000110.5W110 A191 D192 I197 A255 A256 T320 S321 H322W110-I195 VanDerWaalsContact CZ2-O 3.32Å; W110-I195 WeakPolarHBondContact CZ2-O 3.47Å; W110-I195 PolarHBondContact NE1-O 3.15Å; A191-I195 HydrophobicContact CB-CB 4.42Å; D192-I195 HydrophobicContact CB-CG1 4.02Å; D192-I195 WeakPolarHBondContact O-CB 3.16Å; D192-I195 PolarHBondContact O-N 3.47Å; D192-I195 VanDerWaalsContact O-N 3.12Å; I195-I197 HydrophobicContact CG2-CG1 4.16Å; I195-A255 HydrophobicContact CD1-CB 3.85Å; I195-A255 HydrophobicContact CG1-CB 4.41Å; I195-A255 VanDerWaalsContact CG1-O 3.31Å; I195-A255 WeakPolarHBondContact CG1-O 3.33Å; I195-A256 HydrophobicContact CG2-CB 4.34Å; I195-T320 HydrophobicContact CG2-CG2 4.4Å; I195-S321 CarbonylContact C-O 3.56Å; I195-S321 WeakPolarHBondContact CA-O 3.43Å; I195-H322 HydrophobicContact CD1-CB 3.89Å; I195-H322 WeakPolarHBondContact CD1-CD2 3.37Å
196F98.3Very high98.4Very high0 Ų020 Ų200%09%0.091CC..EExtended strand (participates in β ladder)trans-84.9130.6163.5-178.7-86.9000109.4W110 H198 M318 T320 S321 H324 L328 L331 W332 A335W110-F196 AromaticContact CD1-CD2 3.97Å; F196-H198 HydrophobicContact CE1-CB 3.93Å; F196-M318 HydrophobicContact CD1-CE 3.98Å; F196-M318 HydrophobicContact CD1-SD 4.48Å; F196-M318 HydrophobicContact CE1-CE 3.44Å; F196-M318 VanDerWaalsContact CE1-CE 3.44Å; F196-M318 HydrophobicContact CE1-SD 4.43Å; F196-M318 HydrophobicContact CZ-CE 4.17Å; F196-T320 CarbonylContact O-C 3.51Å; F196-T320 VanDerWaalsContact O-CA 3.26Å; F196-T320 WeakPolarHBondContact O-CA 3.33Å; F196-S321 PolarHBondContact N-O 3.23Å; F196-S321 PolarHBondContact O-N 3.49Å; F196-H324 HydrophobicContact CB-CB 4.29Å; F196-L328 HydrophobicContact CB-CD1 4.1Å; F196-L328 HydrophobicContact CD2-CD1 3.84Å; F196-L328 HydrophobicContact CD2-CG 4.47Å; F196-L328 HydrophobicContact CG-CD1 4.47Å; F196-L331 HydrophobicContact CB-CD2 3.87Å; F196-L331 HydrophobicContact CD1-CD2 3.98Å; F196-L331 HydrophobicContact CD1-CG 4.44Å; F196-L331 HydrophobicContact CD2-CB 4.24Å; F196-L331 HydrophobicContact CD2-CD2 3.61Å; F196-L331 HydrophobicContact CD2-CG 3.81Å; F196-L331 HydrophobicContact CE1-CD2 4.48Å; F196-L331 HydrophobicContact CE1-CG 4.46Å; F196-L331 HydrophobicContact CE2-CB 4.25Å; F196-L331 HydrophobicContact CE2-CD2 4.12Å; F196-L331 HydrophobicContact CE2-CG 3.81Å; F196-L331 HydrophobicContact CG-CD2 3.52Å; F196-L331 HydrophobicContact CG-CG 4.12Å; F196-L331 HydrophobicContact CZ-CG 4.15Å; F196-W332 HydrophobicContact CE2-CB 3.97Å; F196-W332 HydrophobicContact CE2-CE3 4Å; F196-W332 AromaticContact CZ-CE3 3.81Å; F196-W332 HydrophobicContact CZ-CE3 3.81Å; F196-A335 HydrophobicContact CE1-CB 4.26Å; F196-A335 HydrophobicContact CZ-CB 3.9Å
197I98.6Very high98.4Very high0 Ų017.8 Ų17.80%09%0.085CC..EExtended strand (participates in β ladder)trans-113.7120.2173.6-59.7172.1000108.6L91 W110 M189 A191 I195 M199 L202 I319L91-I197 HydrophobicContact CD1-CD1 4.1Å; L91-I197 HydrophobicContact CD2-CD1 3.88Å; W110-I197 WeakPolarHBondContact CB-O 3.24Å; W110-I197 HydrophobicContact CD2-CB 4.06Å; W110-I197 HydrophobicContact CD2-CG1 4.49Å; W110-I197 HydrophobicContact CE3-CB 4.19Å; W110-I197 HydrophobicContact CE3-CD1 4.09Å; W110-I197 HydrophobicContact CE3-CG1 4.48Å; W110-I197 HydrophobicContact CG-CB 4.3Å; W110-I197 HydrophobicContact CH2-CD1 3.91Å; W110-I197 HydrophobicContact CZ2-CD1 4.35Å; W110-I197 HydrophobicContact CZ3-CD1 3.79Å; M189-I197 HydrophobicContact CE-CD1 3.47Å; M189-I197 VanDerWaalsContact CE-CD1 3.47Å; M189-I197 HydrophobicContact CE-CG1 3.89Å; M189-I197 HydrophobicContact CE-CG2 4.4Å; M189-I197 HydrophobicContact SD-CD1 4.03Å; A191-I197 HydrophobicContact CB-CD1 3.91Å; I195-I197 HydrophobicContact CG2-CG1 4.16Å; I197-M199 VanDerWaalsContact C-N 3.26Å; I197-M199 HydrophobicContact CG2-CE 4.22Å; I197-M199 PolarHBondContact O-N 3.46Å; I197-L202 HydrophobicContact CG2-CB 4.38Å; I197-L202 HydrophobicContact CG2-CD2 3.62Å; I197-I319 CarbonylContact C-O 3.55Å; I197-I319 WeakPolarHBondContact CA-O 3.35Å
198H98.3Very high98.3Very high8 Ų819.1 Ų19.14%0.03710%0.1CC..  trans-7781.6173-167.5-50.8000109.8F196 P200 N201 L202 Y315 M318 I319 A335F196-H198 HydrophobicContact CE1-CB 3.93Å; H198-P200 WeakPolarHBondContact ND1-CD 3.33Å; H198-N201 HydrophobicContact CB-CB 4.42Å; H198-N201 VanDerWaalsContact CE1-CG 3.49Å; H198-N201 PolarHBondContact CE1-OD1 3.17Å; H198-N201 PolarHBondContact ND1-N 2.86Å; H198-N201 PolarHBondContact ND1-ND2 2.89Å; H198-N201 PolarHBondContact O-N 2.72Å; H198-N201 VanDerWaalsContact O-N 3.08Å; H198-L202 PolarHBondContact O-N 3.3Å; H198-Y315 PolarHBondContact CD2-O 2.92Å; H198-Y315 VanDerWaalsContact CD2-O 3.28Å; H198-Y315 PolarHBondContact NE2-O 3.29Å; H198-M318 HydrophobicContact CB-CE 4.4Å; H198-M318 HydrophobicContact CB-CG 3.86Å; H198-M318 VanDerWaalsContact CB-O 3.27Å; H198-M318 WeakPolarHBondContact CB-O 3.1Å; H198-I319 PolarHBondContact N-O 3Å; H198-A335 PolarHBondContact NE2-O 3.38Å
199M98.4Very high98.3Very high0 Ų020.2 Ų20.20%011%0.105CC..Hα-helixtrans-52.7-43.1-170.5-165.158.172.700114.4L91 W110 V116 L120 I124 I197 N201 L202 I203 W332L91-M199 HydrophobicContact CD2-CE 4.01Å; W110-M199 HydrophobicContact CB-CB 4.3Å; W110-M199 HydrophobicContact CE3-CE 4.09Å; W110-M199 WeakPolarHBondContact O-CE 3.34Å; V116-M199 HydrophobicContact CG2-CG 3.41Å; V116-M199 VanDerWaalsContact CG2-CG 3.41Å; V116-M199 HydrophobicContact CG2-SD 4.3Å; L120-M199 HydrophobicContact CD1-CG 4.2Å; I124-M199 HydrophobicContact CD1-CE 3.88Å; I124-M199 HydrophobicContact CD1-SD 4.03Å; I197-M199 VanDerWaalsContact C-N 3.26Å; I197-M199 HydrophobicContact CG2-CE 4.22Å; I197-M199 PolarHBondContact O-N 3.46Å; M199-N201 PolarHBondContact O-N 3.28Å; M199-L202 PolarHBondContact O-N 3.06Å; M199-L202 HydrophobicContact SD-CD2 4.2Å; M199-I203 HydrophobicContact CG-CG1 4.11Å; M199-I203 VanDerWaalsContact O-CG1 3.26Å; M199-I203 WeakPolarHBondContact O-CG1 3.46Å; M199-I203 PolarHBondContact O-N 3.46Å; M199-I203 HydrophobicContact SD-CD1 4.03Å; M199-I203 HydrophobicContact SD-CG1 3.89Å; M199-W332 HydrophobicContact CB-CH2 4.16Å; M199-W332 HydrophobicContact CB-CZ3 4.22Å
200P98.1Very high98.2Very high13 Ų1322.7 Ų22.78%0.08412%0.117CC..Hα-helixtrans-55.8-47.5174.9-27.233.7000114.7L120 H198 I203 E204 T336L120-P200 HydrophobicContact CD1-CB 4.37Å; L120-P200 HydrophobicContact CD1-CG 4.25Å; L120-P200 HydrophobicContact CD2-CB 3.99Å; L120-P200 HydrophobicContact CD2-CG 4.22Å; H198-P200 WeakPolarHBondContact ND1-CD 3.33Å; P200-I203 PolarHBondContact O-N 3.13Å; P200-E204 WeakPolarHBondContact O-CB 3.27Å; P200-E204 PolarHBondContact O-N 3.23Å; P200-T336 HydrophobicContact CG-CG2 4.43Å
201N98Very high98.2Very high17 Ų1730.4 Ų30.49%0.09115%0.153CC..Hα-helixtrans-68.5-38.2-179.9-66-7.2000111.4H198 M199 Y205 Y315 E316 M318 I319H198-N201 HydrophobicContact CB-CB 4.42Å; H198-N201 VanDerWaalsContact CE1-CG 3.49Å; H198-N201 PolarHBondContact CE1-OD1 3.17Å; H198-N201 PolarHBondContact ND1-N 2.86Å; H198-N201 PolarHBondContact ND1-ND2 2.89Å; H198-N201 PolarHBondContact O-N 2.72Å; H198-N201 VanDerWaalsContact O-N 3.08Å; M199-N201 PolarHBondContact O-N 3.28Å; N201-Y205 VanDerWaalsContact O-CB 3.28Å; N201-Y205 WeakPolarHBondContact O-CB 3.24Å; N201-Y205 PolarHBondContact O-N 3.36Å; N201-Y205 VanDerWaalsContact O-N 3.08Å; N201-Y315 PolarHBondContact ND2-O 3.49Å; N201-E316 PolarHBondContact ND2-O 2.88Å; N201-M318 WeakPolarHBondContact CB-O 3.25Å; N201-M318 PolarHBondContact ND2-O 2.84Å; N201-I319 HydrophobicContact CB-CG1 4.48Å
202L98.7Very high98.1Very high0 Ų036.4 Ų36.40%019%0.19CC..Hα-helixtrans-62.4-49.1175.3178.361.8000111L89 M189 I197 H198 M199 Y205 L206 V258 I319L89-L202 HydrophobicContact CD2-CD2 3.86Å; M189-L202 HydrophobicContact CE-CD2 4.42Å; M189-L202 HydrophobicContact SD-CD2 3.53Å; M189-L202 VanDerWaalsContact SD-CD2 3.53Å; I197-L202 HydrophobicContact CG2-CB 4.38Å; I197-L202 HydrophobicContact CG2-CD2 3.62Å; H198-L202 PolarHBondContact O-N 3.3Å; M199-L202 PolarHBondContact O-N 3.06Å; M199-L202 HydrophobicContact SD-CD2 4.2Å; L202-Y205 WeakPolarHBondContact O-CB 3.35Å; L202-Y205 PolarHBondContact O-N 3.3Å; L202-L206 HydrophobicContact CD1-CD1 3.97Å; L202-L206 HydrophobicContact CD1-CD2 4.32Å; L202-L206 HydrophobicContact CD1-CG 3.96Å; L202-L206 HydrophobicContact CG-CD1 3.98Å; L202-L206 HydrophobicContact CG-CG 4.28Å; L202-L206 VanDerWaalsContact O-CG 3.3Å; L202-L206 WeakPolarHBondContact O-CG 3.24Å; L202-L206 PolarHBondContact O-N 2.58Å; L202-V258 HydrophobicContact CD1-CG2 4.34Å; L202-I319 HydrophobicContact CB-CG2 4.2Å; L202-I319 HydrophobicContact CD1-CG2 3.97Å
203I98.7Very high98Very high2 Ų236.9 Ų36.91%0.0120%0.204CC..Hα-helixtrans-65-44.5-177.6-64.8-63.2000111.5L88 V116 L120 A122 I124 M199 P200 Y205 L206 Q207L88-I203 HydrophobicContact CD2-CD1 4.17Å; L88-I203 HydrophobicContact CD2-CG2 4.3Å; V116-I203 HydrophobicContact CG1-CD1 4.02Å; V116-I203 HydrophobicContact CG1-CG1 4Å; L120-I203 HydrophobicContact CB-CG2 4.04Å; L120-I203 HydrophobicContact CD1-CB 4.16Å; L120-I203 HydrophobicContact CD1-CG1 3.93Å; A122-I203 HydrophobicContact CB-CD1 4.18Å; A122-I203 HydrophobicContact CB-CG2 3.53Å; I124-I203 HydrophobicContact CG2-CD1 3.63Å; M199-I203 HydrophobicContact CG-CG1 4.11Å; M199-I203 VanDerWaalsContact O-CG1 3.26Å; M199-I203 WeakPolarHBondContact O-CG1 3.46Å; M199-I203 PolarHBondContact O-N 3.46Å; M199-I203 HydrophobicContact SD-CD1 4.03Å; M199-I203 HydrophobicContact SD-CG1 3.89Å; P200-I203 PolarHBondContact O-N 3.13Å; I203-Y205 VanDerWaalsContact C-N 3.26Å; I203-Y205 PolarHBondContact O-N 3.22Å; I203-L206 PolarHBondContact O-N 3.19Å; I203-Q207 HydrophobicContact CG2-CG 4.22Å; I203-Q207 WeakPolarHBondContact O-CB 3.44Å; I203-Q207 WeakPolarHBondContact O-CG 3.19Å; I203-Q207 PolarHBondContact O-N 2.94Å
204E98.1Very high98Very high125 Ų12538.4 Ų38.458%0.58421%0.213SC*.Hα-helixtrans-55.8-44.5174.3-178.2178175.700111.1P200 G208P200-E204 WeakPolarHBondContact O-CB 3.27Å; P200-E204 PolarHBondContact O-N 3.23Å; E204-G208 PolarHBondContact O-N 3.47Å; E204-G208 VanDerWaalsContact O-N 3.15Å
205Y98.3Very high98Very high69 Ų6945.4 Ų45.427%0.27124%0.237SC..Hα-helixtrans-64.5-45.7177.5179.8-102.8000112.7N201 L202 I203 G208 L209 F217 I219 H299 I319N201-Y205 VanDerWaalsContact O-CB 3.28Å; N201-Y205 WeakPolarHBondContact O-CB 3.24Å; N201-Y205 PolarHBondContact O-N 3.36Å; N201-Y205 VanDerWaalsContact O-N 3.08Å; L202-Y205 WeakPolarHBondContact O-CB 3.35Å; L202-Y205 PolarHBondContact O-N 3.3Å; I203-Y205 VanDerWaalsContact C-N 3.26Å; I203-Y205 PolarHBondContact O-N 3.22Å; Y205-G208 PolarHBondContact O-N 3.01Å; Y205-L209 HydrophobicContact CD1-CD1 3.94Å; Y205-L209 HydrophobicContact CE1-CD1 3.38Å; Y205-L209 HydrophobicContact CE1-CG 4.2Å; Y205-L209 WeakPolarHBondContact O-CG 3.39Å; Y205-L209 PolarHBondContact O-N 3.07Å; Y205-L209 VanDerWaalsContact O-N 3.12Å; Y205-F217 HydrophobicContact CE1-CZ 4.24Å; Y205-I219 HydrophobicContact CD1-CD1 4.41Å; Y205-I219 HydrophobicContact CE1-CD1 3.49Å; Y205-I219 VanDerWaalsContact CE1-CD1 3.49Å; Y205-H299 AromaticContact CE2-NE2 3.54Å; Y205-H299 AromaticContact CZ-CD2 3.61Å; Y205-H299 AromaticContact CZ-NE2 3.57Å; Y205-H299 PolarHBondContact OH-CD2 3.37Å; Y205-I319 HydrophobicContact CG-CD1 4.45Å
206L98.6Very high98Very high0 Ų049 Ų490%026%0.257CS..Hα-helixtrans-68.4-37.9180-65.4-178.1000112.9L88 L89 F187 L202 I203 G208 L209 E210 V258L88-L206 HydrophobicContact CD1-CB 4.49Å; L88-L206 HydrophobicContact CD2-CB 4.39Å; L89-L206 HydrophobicContact CB-CD1 4.16Å; L89-L206 HydrophobicContact CD1-CD1 3.89Å; L89-L206 HydrophobicContact CD2-CD1 3.93Å; L89-L206 HydrophobicContact CG-CD1 4.22Å; F187-L206 HydrophobicContact CB-CD1 4.44Å; F187-L206 HydrophobicContact CB-CD2 4.48Å; F187-L206 HydrophobicContact CD1-CD2 4.18Å; F187-L206 HydrophobicContact CD2-CB 4.07Å; F187-L206 HydrophobicContact CD2-CD1 4.34Å; F187-L206 HydrophobicContact CD2-CD2 4.04Å; F187-L206 HydrophobicContact CD2-CG 4.36Å; F187-L206 HydrophobicContact CE1-CD2 4.46Å; F187-L206 HydrophobicContact CE2-CB 4.1Å; F187-L206 HydrophobicContact CE2-CD2 4.32Å; F187-L206 WeakPolarHBondContact CE2-O 3.38Å; F187-L206 HydrophobicContact CG-CD2 3.97Å; L202-L206 HydrophobicContact CD1-CD1 3.97Å; L202-L206 HydrophobicContact CD1-CD2 4.32Å; L202-L206 HydrophobicContact CD1-CG 3.96Å; L202-L206 HydrophobicContact CG-CD1 3.98Å; L202-L206 HydrophobicContact CG-CG 4.28Å; L202-L206 VanDerWaalsContact O-CG 3.3Å; L202-L206 WeakPolarHBondContact O-CG 3.24Å; L202-L206 PolarHBondContact O-N 2.58Å; I203-L206 PolarHBondContact O-N 3.19Å; L206-G208 VanDerWaalsContact C-N 3.3Å; L206-G208 PolarHBondContact O-N 3.26Å; L206-L209 HydrophobicContact CD2-CD1 4.25Å; L206-L209 PolarHBondContact O-N 2.8Å; L206-E210 WeakPolarHBondContact O-CB 3.24Å; L206-E210 PolarHBondContact O-N 3.16Å; L206-V258 HydrophobicContact CD2-CG1 3.97Å
207Q98.4Very high98Very high51 Ų5149.4 Ų49.424%0.23826%0.259CS..Hα-helixtrans-62.6-38.6173.6-75.2173.9-26.700111.3L88 L120 I203 E210 Q211L88-Q207 HydrophobicContact CD2-CG 3.88Å; L120-Q207 PolarHBondContact O-NE2 3.1Å; I203-Q207 HydrophobicContact CG2-CG 4.22Å; I203-Q207 WeakPolarHBondContact O-CB 3.44Å; I203-Q207 WeakPolarHBondContact O-CG 3.19Å; I203-Q207 PolarHBondContact O-N 2.94Å; Q207-E210 WeakPolarHBondContact O-CB 3.32Å; Q207-E210 PolarHBondContact O-N 3.49Å; Q207-Q211 VanDerWaalsContact O-CG 3.31Å; Q207-Q211 WeakPolarHBondContact O-CG 3.29Å; Q207-Q211 PolarHBondContact O-N 3.23Å; Q207-Q211 VanDerWaalsContact O-N 3.07Å
208G98.2Very high98Very high32 Ų3249.4 Ų49.433%0.3326%0.259SS..Hα-helixtrans-61.9-43173.100000112.7E204 Y205 L206 Q211 V212E204-G208 PolarHBondContact O-N 3.47Å; E204-G208 VanDerWaalsContact O-N 3.15Å; Y205-G208 PolarHBondContact O-N 3.01Å; L206-G208 VanDerWaalsContact C-N 3.3Å; L206-G208 PolarHBondContact O-N 3.26Å; G208-Q211 PolarHBondContact O-N 3.16Å; G208-V212 PolarHBondContact O-N 3.39Å
209L98.1Very high98Very high27 Ų2749.1 Ų49.114%0.14126%0.258CS..Hα-helixtrans-67.4-37177.1-70177000113.2F187 Y205 L206 V212 G213 V214 F217F187-L209 HydrophobicContact CE1-CB 4.3Å; F187-L209 HydrophobicContact CE1-CD1 4.34Å; F187-L209 HydrophobicContact CZ-CB 3.68Å; F187-L209 HydrophobicContact CZ-CD1 4.41Å; Y205-L209 HydrophobicContact CD1-CD1 3.94Å; Y205-L209 HydrophobicContact CE1-CD1 3.38Å; Y205-L209 HydrophobicContact CE1-CG 4.2Å; Y205-L209 WeakPolarHBondContact O-CG 3.39Å; Y205-L209 PolarHBondContact O-N 3.07Å; Y205-L209 VanDerWaalsContact O-N 3.12Å; L206-L209 HydrophobicContact CD2-CD1 4.25Å; L206-L209 PolarHBondContact O-N 2.8Å; L209-V212 PolarHBondContact O-N 2.86Å; L209-G213 PolarHBondContact O-N 2.87Å; L209-G213 VanDerWaalsContact O-N 3.1Å; L209-V214 HydrophobicContact CB-CB 4.45Å; L209-V214 HydrophobicContact CB-CG1 3.9Å; L209-V214 HydrophobicContact CD2-CB 4.43Å; L209-V214 HydrophobicContact CD2-CG1 4.41Å; L209-V214 PolarHBondContact O-N 3.12Å; L209-F217 HydrophobicContact CD1-CD1 4.28Å; L209-F217 HydrophobicContact CD1-CE1 3.44Å; L209-F217 VanDerWaalsContact CD1-CE1 3.44Å; L209-F217 HydrophobicContact CD1-CE2 4.1Å; L209-F217 HydrophobicContact CD1-CZ 3.32Å; L209-F217 HydrophobicContact CD2-CE2 4.18Å; L209-F217 HydrophobicContact CD2-CZ 4.18Å; L209-F217 HydrophobicContact CG-CZ 4.4Å
210E97.3Very high98Very high53 Ų5349.1 Ų49.125%0.24826%0.258CS..Hα-helixtrans-61.5-45175.2173.4-174.3-122.800111.7L88 R186 F187 L206 Q207 V212 G213L88-E210 HydrophobicContact CD1-CB 4.33Å; L88-E210 WeakPolarHBondContact CD1-OE1 3.22Å; R186-E210 WeakPolarHBondContact CD-OE1 3.32Å; R186-E210 IonicContact CZ-OE1 3.15Å; R186-E210 IonicContact NE-OE1 3.63Å; R186-E210 PolarHBondContact NE-OE1 2.93Å; R186-E210 IonicContact NH1-OE1 3.62Å; R186-E210 PolarHBondContact NH1-OE1 3.02Å; R186-E210 IonicContact NH2-OE1 3.72Å; F187-E210 HydrophobicContact CE2-CB 4.23Å; L206-E210 WeakPolarHBondContact O-CB 3.24Å; L206-E210 PolarHBondContact O-N 3.16Å; Q207-E210 WeakPolarHBondContact O-CB 3.32Å; Q207-E210 PolarHBondContact O-N 3.49Å; E210-V212 PolarHBondContact O-N 2.93Å; E210-G213 PolarHBondContact O-N 2.81Å
211Q97.1Very high97.9Very high162 Ų16249.6 Ų49.676%0.75726%0.258SS*.Hα-helixtrans-60.5-33.8178.8-73.717310.600112.7Q207 G208 G213Q207-Q211 VanDerWaalsContact O-CG 3.31Å; Q207-Q211 WeakPolarHBondContact O-CG 3.29Å; Q207-Q211 PolarHBondContact O-N 3.23Å; Q207-Q211 VanDerWaalsContact O-N 3.07Å; G208-Q211 PolarHBondContact O-N 3.16Å; Q211-G213 VanDerWaalsContact C-N 3.34Å
212V97.4Very high97.9Very high127 Ų12749.2 Ų49.277%0.7726%0.257SS*.Hα-helixtrans-84.9-11.2177.3-176.80000111.9G208 L209 E210G208-V212 PolarHBondContact O-N 3.39Å; L209-V212 PolarHBondContact O-N 2.86Å; E210-V212 PolarHBondContact O-N 2.93Å
213G96.2Very high97.7Very high49 Ų4951 Ų5151%0.50527%0.265SS..THydrogen-bonded Turntrans6844.3179.100000112.9L209 E210 Q211L209-G213 PolarHBondContact O-N 2.87Å; L209-G213 VanDerWaalsContact O-N 3.1Å; E210-G213 PolarHBondContact O-N 2.81Å; Q211-G213 VanDerWaalsContact C-N 3.34Å
214V97.2Very high97.5Very high42 Ų4257.9 Ų57.926%0.25529%0.291SS..  trans-57.8140.4-176.980.30000112F187 L209 F217F187-V214 HydrophobicContact CE1-CG1 3.71Å; F187-V214 HydrophobicContact CZ-CG1 3.95Å; L209-V214 HydrophobicContact CB-CB 4.45Å; L209-V214 HydrophobicContact CB-CG1 3.9Å; L209-V214 HydrophobicContact CD2-CB 4.43Å; L209-V214 HydrophobicContact CD2-CG1 4.41Å; L209-V214 PolarHBondContact O-N 3.12Å; V214-F217 HydrophobicContact CG1-CB 3.95Å; V214-F217 HydrophobicContact CG1-CD1 4.34Å; V214-F217 HydrophobicContact CG1-CD2 4.32Å; V214-F217 HydrophobicContact CG1-CG 3.96Å; V214-F217 HydrophobicContact CG2-CB 3.91Å; V214-F217 HydrophobicContact CG2-CD2 3.58Å; V214-F217 HydrophobicContact CG2-CE2 4.33Å; V214-F217 HydrophobicContact CG2-CG 3.94Å
215R97.7Very high97.2Very high175 Ų17552.3 Ų52.366%0.6627%0.267SS*.  trans-133.6165.2176.9-60.2-165.771.9117.33.3109.9F217 D262R215-F217 PolarHBondContact O-N 2.92Å; R215-F217 VanDerWaalsContact O-N 3.13Å; R215-D262 IonicContact NE-OD2 2.78Å; R215-D262 IonicContact NH2-OD2 3.7Å
216D97.7Very high97Very high78 Ų7849.5 Ų49.542%0.41726%0.259SS..SBendtrans51.735.9-177.8-66.5-52.4000112.6D262 K266D216-D262 PolarHBondContact N-OD2 3.04Å; D216-K266 IonicContact OD1-NZ 3.22Å; D216-K266 PolarHBondContact OD1-NZ 2.99Å; D216-K266 IonicContact OD2-NZ 3.12Å
217F98.3Very high96.9Very high7 Ų750.2 Ų50.23%0.03126%0.264CS..  trans-101.1125-169.4-171.5-103.7000111.3F187 Y205 L209 V214 R215 I219 V259 S260F187-F217 HydrophobicContact CE1-CD1 4.34Å; Y205-F217 HydrophobicContact CE1-CZ 4.24Å; L209-F217 HydrophobicContact CD1-CD1 4.28Å; L209-F217 HydrophobicContact CD1-CE1 3.44Å; L209-F217 VanDerWaalsContact CD1-CE1 3.44Å; L209-F217 HydrophobicContact CD1-CE2 4.1Å; L209-F217 HydrophobicContact CD1-CZ 3.32Å; L209-F217 HydrophobicContact CD2-CE2 4.18Å; L209-F217 HydrophobicContact CD2-CZ 4.18Å; L209-F217 HydrophobicContact CG-CZ 4.4Å; V214-F217 HydrophobicContact CG1-CB 3.95Å; V214-F217 HydrophobicContact CG1-CD1 4.34Å; V214-F217 HydrophobicContact CG1-CD2 4.32Å; V214-F217 HydrophobicContact CG1-CG 3.96Å; V214-F217 HydrophobicContact CG2-CB 3.91Å; V214-F217 HydrophobicContact CG2-CD2 3.58Å; V214-F217 HydrophobicContact CG2-CE2 4.33Å; V214-F217 HydrophobicContact CG2-CG 3.94Å; R215-F217 PolarHBondContact O-N 2.92Å; R215-F217 VanDerWaalsContact O-N 3.13Å; F217-I219 HydrophobicContact CD1-CG2 4.47Å; F217-I219 HydrophobicContact CD2-CG2 4.37Å; F217-I219 HydrophobicContact CE1-CB 4.22Å; F217-I219 HydrophobicContact CE1-CD1 3.82Å; F217-I219 HydrophobicContact CE1-CG1 3.63Å; F217-I219 HydrophobicContact CE1-CG2 3.68Å; F217-I219 HydrophobicContact CE2-CG2 3.56Å; F217-I219 HydrophobicContact CZ-CB 4.11Å; F217-I219 HydrophobicContact CZ-CD1 3.85Å; F217-I219 HydrophobicContact CZ-CG1 3.9Å; F217-I219 HydrophobicContact CZ-CG2 3.16Å; F217-V259 CarbonylContact O-C 3.54Å; F217-V259 WeakPolarHBondContact O-CA 3.23Å; F217-S260 PolarHBondContact N-OG 2.92Å; F217-S260 VanDerWaalsContact N-OG 3.12Å; F217-S260 PolarHBondContact O-N 2.99Å; F217-S260 PolarHBondContact O-OG 3.39Å
218W98.7Very high96.7Very high0 Ų048 Ų480%025%0.254CS..EExtended strand (participates in β ladder)trans-145.4116.1173.117524.4000109.2T252 Y257 V258 V259 M285 A289 V294 P296 Q297W218-T252 HydrophobicContact CD2-CG2 4.42Å; W218-T252 HydrophobicContact CZ2-CG2 3.88Å; W218-T252 VanDerWaalsContact CZ2-OG1 3.27Å; W218-T252 WeakPolarHBondContact CZ2-OG1 3.41Å; W218-T252 VanDerWaalsContact NE1-CG2 3.32Å; W218-T252 PolarHBondContact NE1-OG1 3.47Å; W218-Y257 AromaticContact NE1-CD2 3.8Å; W218-Y257 AromaticContact NE1-CG 3.85Å; W218-V258 CarbonylContact C-O 3.42Å; W218-V258 WeakPolarHBondContact CA-O 3.28Å; W218-V259 HydrophobicContact CB-CG1 3.98Å; W218-V259 VanDerWaalsContact CD1-CG1 3.48Å; W218-V259 HydrophobicContact CG-CG1 3.83Å; W218-M285 HydrophobicContact CD2-CE 3.74Å; W218-M285 HydrophobicContact CE3-CE 4.25Å; W218-M285 HydrophobicContact CG-CE 4.12Å; W218-M285 HydrophobicContact CH2-CE 4.33Å; W218-M285 HydrophobicContact CH2-CG 4.03Å; W218-M285 HydrophobicContact CZ2-CE 3.83Å; W218-M285 HydrophobicContact CZ2-CG 3.54Å; W218-A289 HydrophobicContact CE3-CB 3.73Å; W218-A289 HydrophobicContact CH2-CB 3.94Å; W218-A289 HydrophobicContact CZ3-CB 3.2Å; W218-V294 HydrophobicContact CB-CG1 4.1Å; W218-V294 HydrophobicContact CE3-CG1 4.17Å; W218-P296 HydrophobicContact CD2-CB 3.68Å; W218-P296 HydrophobicContact CE3-CB 3.48Å; W218-P296 VanDerWaalsContact CE3-CB 3.48Å; W218-P296 HydrophobicContact CE3-CG 4.03Å; W218-P296 HydrophobicContact CG-CB 4.4Å; W218-P296 HydrophobicContact CH2-CB 3.92Å; W218-P296 HydrophobicContact CH2-CG 4.06Å; W218-P296 HydrophobicContact CZ2-CB 4.1Å; W218-P296 HydrophobicContact CZ3-CB 3.59Å; W218-P296 VanDerWaalsContact CZ3-CD 3.47Å; W218-P296 HydrophobicContact CZ3-CG 3.69Å; W218-Q297 PolarHBondContact O-N 3.18Å
219I98.5Very high96.6Very high3 Ų349.1 Ų49.12%0.01525%0.254CS..EExtended strand (participates in β ladder)trans-123148.6-179.458.5164.7000113Y205 F217 Y257 V258 Q297 H299 F302Y205-I219 HydrophobicContact CD1-CD1 4.41Å; Y205-I219 HydrophobicContact CE1-CD1 3.49Å; Y205-I219 VanDerWaalsContact CE1-CD1 3.49Å; F217-I219 HydrophobicContact CD1-CG2 4.47Å; F217-I219 HydrophobicContact CD2-CG2 4.37Å; F217-I219 HydrophobicContact CE1-CB 4.22Å; F217-I219 HydrophobicContact CE1-CD1 3.82Å; F217-I219 HydrophobicContact CE1-CG1 3.63Å; F217-I219 HydrophobicContact CE1-CG2 3.68Å; F217-I219 HydrophobicContact CE2-CG2 3.56Å; F217-I219 HydrophobicContact CZ-CB 4.11Å; F217-I219 HydrophobicContact CZ-CD1 3.85Å; F217-I219 HydrophobicContact CZ-CG1 3.9Å; F217-I219 HydrophobicContact CZ-CG2 3.16Å; I219-Y257 CarbonylContact O-C 3.53Å; I219-Y257 VanDerWaalsContact O-CA 3.24Å; I219-Y257 WeakPolarHBondContact O-CA 3.39Å; I219-Y257 WeakPolarHBondContact O-CB 3.43Å; I219-V258 HydrophobicContact CD1-CB 4.22Å; I219-V258 HydrophobicContact CG1-CB 3.81Å; I219-V258 HydrophobicContact CG1-CG2 4.48Å; I219-V258 PolarHBondContact N-O 3.48Å; I219-V258 PolarHBondContact O-N 2.98Å; I219-Q297 WeakPolarHBondContact CA-O 3.38Å; I219-Q297 HydrophobicContact CG2-CB 3.98Å; I219-H299 HydrophobicContact CB-CB 4.23Å; I219-H299 HydrophobicContact CD1-CB 4.45Å; I219-F302 HydrophobicContact CD1-CE2 3.71Å; I219-F302 HydrophobicContact CD1-CZ 3.9Å; I219-F302 HydrophobicContact CG1-CE2 4.39Å; I219-F302 HydrophobicContact CG1-CZ 4.27Å
220G98.2Very high96.4Very high0 Ų050.6 Ų50.60%026%0.258CS..EExtended strand (participates in β ladder)trans178.2-160.1171.700000111.3Q297 D298 H299G220-Q297 PolarHBondContact N-O 2.85Å; G220-D298 WeakPolarHBondContact O-CA 3.45Å; G220-H299 PolarHBondContact O-N 2.89Å
221H97.1Very high96.2Very high22 Ų2252.4 Ų52.410%0.10227%0.269CS..EExtended strand (participates in β ladder)trans-84.8115.1165.7-178.594.4000109H223 T252 A253 F302H221-H223 AromaticContact CD2-CE1 3.98Å; H221-T252 CarbonylContact O-C 3.53Å; H221-T252 WeakPolarHBondContact O-CA 3.36Å; H221-A253 HydrophobicContact CB-CB 4.2Å; H221-A253 PolarHBondContact O-N 2.96Å; H221-F302 HydrophobicContact CB-CB 4.48Å
222V97.3Very high96Very high9 Ų952.5 Ų52.56%0.05527%0.267CS..EExtended strand (participates in β ladder)trans-95.4117.6-168.2-177.80000112.3R224 D250 Y251 T252 P296 D298V222-R224 HydrophobicContact CG1-CG 3.93Å; V222-R224 PolarHBondContact O-N 2.91Å; V222-D250 HydrophobicContact CG1-CB 4.28Å; V222-Y251 CarbonylContact C-O 3.55Å; V222-Y251 WeakPolarHBondContact CA-O 3.37Å; V222-T252 HydrophobicContact CG2-CG2 4.11Å; V222-P296 HydrophobicContact CG1-CB 4.28Å; V222-P296 HydrophobicContact CG1-CG 3.9Å; V222-P296 HydrophobicContact CG2-CB 3.88Å; V222-P296 HydrophobicContact CG2-CG 4.4Å; V222-D298 HydrophobicContact CB-CB 4.14Å; V222-D298 HydrophobicContact CG2-CB 3.89Å; V222-D298 PolarHBondContact N-OD1 3.01Å
223H95.4Very high95.9Very high38 Ų3851.2 Ų51.218%0.17626%0.264CS..EExtended strand (participates in β ladder)trans-79.9111165.2-68-62.2000109.7H221 D250 Y251 E305H221-H223 AromaticContact CD2-CE1 3.98Å; H223-D250 WeakPolarHBondContact O-CA 3.38Å; H223-Y251 HydrophobicContact CB-CD1 4.02Å; H223-Y251 HydrophobicContact CB-CD2 4.23Å; H223-Y251 HydrophobicContact CB-CE1 3.59Å; H223-Y251 HydrophobicContact CB-CE2 3.84Å; H223-Y251 HydrophobicContact CB-CG 4.32Å; H223-Y251 VanDerWaalsContact CB-CZ 3.49Å; H223-Y251 AromaticContact CD2-CE2 3.43Å; H223-Y251 VanDerWaalsContact CD2-CE2 3.43Å; H223-Y251 WeakPolarHBondContact CD2-CE2 3.43Å; H223-Y251 AromaticContact CD2-CZ 3.81Å; H223-Y251 AromaticContact CG-CE2 3.9Å; H223-Y251 AromaticContact CG-CZ 3.81Å; H223-Y251 PolarHBondContact N-O 2.84Å; H223-Y251 PolarHBondContact O-N 3.01Å; H223-Y251 VanDerWaalsContact O-N 3.17Å; H223-E305 IonicContact CD2-OE1 2.74Å; H223-E305 IonicContact CE1-OE1 2.8Å; H223-E305 PolarHBondContact CE1-OE1 2.61Å; H223-E305 IonicContact CE1-OE2 3.76Å; H223-E305 IonicContact NE2-OE1 3.97Å; H223-E305 PolarHBondContact NE2-OE1 2.88Å; H223-E305 IonicContact NE2-OE2 3.57Å
224R94.1Very high95.8Very high147 Ų14750.6 Ų50.656%0.55525%0.251SS*.  trans-95114.4-178.3-64.1-171.4-179.693.32.9111.3V222 G226 D250V222-R224 HydrophobicContact CG1-CG 3.93Å; V222-R224 PolarHBondContact O-N 2.91Å; R224-G226 VanDerWaalsContact C-N 3.33Å; R224-G226 PolarHBondContact O-N 2.9Å; R224-D250 VanDerWaalsContact CA-OD1 3.24Å; R224-D250 WeakPolarHBondContact CA-OD1 3.46Å
225G92.1Very high95.7Very high7 Ų754.3 Ų54.37%0.07226%0.264CS..SBendtrans51.650.3-177.800000112.5S44 D250S44-G225 PolarHBondContact OG-O 3.02Å; G225-D250 PolarHBondContact N-OD1 3.38Å
226G93.2Very high95.5Very high11 Ų1150.7 Ų50.711%0.11325%0.251CS..PPolyproline II helixtrans-62.5133.6175.900000111R224 Y248R224-G226 VanDerWaalsContact C-N 3.33Å; R224-G226 PolarHBondContact O-N 2.9Å; G226-Y248 WeakPolarHBondContact O-CD2 3.42Å; G226-Y248 PolarHBondContact O-N 3Å
227P95.7Very high95.4Very high15 Ų1549.6 Ų49.610%0.09724%0.242CC..PPolyproline II helixtrans-76.2147.2173.627.8-31.2000111.7V229P227-V229 PolarHBondContact O-N 2.86Å
228P96.1Very high95.3Very high4 Ų449.3 Ų49.33%0.02624%0.24CC..PPolyproline II helixtrans-61.4130.5165.525.2-32.1000110.8R230 V238 Y243 W245 P246 Y248P228-R230 VanDerWaalsContact CG-NH2 3.29Å; P228-R230 PolarHBondContact O-N 2.9Å; P228-V238 HydrophobicContact CB-CB 4.18Å; P228-Y243 HydrophobicContact CB-CD1 4.48Å; P228-Y243 HydrophobicContact CG-CD1 4.29Å; P228-W245 WeakPolarHBondContact CG-O 3.18Å; P228-P246 WeakPolarHBondContact CD-O 3.42Å; P228-Y248 VanDerWaalsContact CA-OH 3.26Å; P228-Y248 WeakPolarHBondContact CA-OH 3.38Å; P228-Y248 HydrophobicContact CB-CE1 4.12Å; P228-Y248 HydrophobicContact CB-CE2 4.27Å; P228-Y248 VanDerWaalsContact CB-OH 3.23Å; P228-Y248 WeakPolarHBondContact CB-OH 3.36Å
229V95.1Very high95.2Very high56 Ų5650.7 Ų50.734%0.33925%0.249SC..BIsolated β-bridgetrans-73.5117.9174.4179.70000108.6P227 D231 Y237 V238P227-V229 PolarHBondContact O-N 2.86Å; V229-D231 HydrophobicContact CG1-CB 4.16Å; V229-Y237 CarbonylContact O-C 3.41Å; V229-Y237 WeakPolarHBondContact O-CA 3.31Å; V229-V238 PolarHBondContact O-N 2.94Å
230R94.1Very high95Very high57 Ų5757 Ų5722%0.21527%0.274CS..  trans-99.12.8-178.7-56.1-55.3-171.8173.92.9114P228 K232 Y237 V238 P239 Y240 Y243 W245P228-R230 VanDerWaalsContact CG-NH2 3.29Å; P228-R230 PolarHBondContact O-N 2.9Å; R230-K232 PolarHBondContact O-N 3.46Å; R230-Y237 WeakPolarHBondContact O-CE2 3.31Å; R230-V238 VanDerWaalsContact CD-O 3.26Å; R230-V238 WeakPolarHBondContact CD-O 3.45Å; R230-V238 PolarHBondContact NH1-O 2.76Å; R230-P239 PolarHBondContact NH1-O 2.8Å; R230-P239 VanDerWaalsContact NH1-O 3.09Å; R230-Y240 HydrophobicContact CG-CE2 4.44Å; R230-Y243 VanDerWaalsContact CZ-O 3.24Å; R230-Y243 PolarHBondContact NH1-O 3.44Å; R230-Y243 PolarHBondContact NH2-O 2.74Å; R230-W245 PolarHBondContact NH2-O 3.33Å
231D92.9Very high94.8Very high91 Ų9165 Ų6549%0.48731%0.311SS..  trans-80.5113.1175.5179-0000110.2V229 S233 S234 Y237V229-D231 HydrophobicContact CG1-CB 4.16Å; D231-S233 PolarHBondContact O-N 3.41Å; D231-S233 WeakPolarHBondContact OD1-CB 3.34Å; D231-S233 PolarHBondContact OD1-N 2.93Å; D231-S233 PolarHBondContact OD1-OG 2.62Å; D231-S233 PolarHBondContact OD2-OG 2.79Å; D231-S234 WeakPolarHBondContact O-CB 3.29Å; D231-S234 PolarHBondContact O-N 3.46Å; D231-Y237 WeakPolarHBondContact O-CB 3.33Å
232K93.9Very high94.6Very high165 Ų16566.4 Ų66.472%0.71732%0.318SS*.THydrogen-bonded Turntrans-61.9-19.2-179.4-70-177.9178.2-176.60114.2R230 S234 Y237R230-K232 PolarHBondContact O-N 3.46Å; K232-S234 VanDerWaalsContact C-N 3.32Å; K232-Y237 HydrophobicContact CB-CD2 4.43Å; K232-Y237 HydrophobicContact CG-CD1 4.33Å; K232-Y237 HydrophobicContact CG-CD2 3.98Å; K232-Y237 HydrophobicContact CG-CE1 4Å; K232-Y237 HydrophobicContact CG-CE2 3.59Å; K232-Y237 HydrophobicContact CG-CG 4.32Å
233S94.4Very high94.5Very high100 Ų10066.1 Ų66.170%0.69932%0.316SS*.THydrogen-bonded Turntrans-80.3-16.5176.473.50000112.9D231D231-S233 PolarHBondContact O-N 3.41Å; D231-S233 WeakPolarHBondContact OD1-CB 3.34Å; D231-S233 PolarHBondContact OD1-N 2.93Å; D231-S233 PolarHBondContact OD1-OG 2.62Å; D231-S233 PolarHBondContact OD2-OG 2.79Å
234S94.3Very high94.4Very high35 Ų3570.5 Ų70.525%0.24534%0.335CS..SBendtrans-78.9136.8178.2-1780000111D231 K232 Y236 Y237D231-S234 WeakPolarHBondContact O-CB 3.29Å; D231-S234 PolarHBondContact O-N 3.46Å; K232-S234 VanDerWaalsContact C-N 3.32Å; S234-Y236 PolarHBondContact O-N 2.73Å; S234-Y236 VanDerWaalsContact O-N 3.11Å; S234-Y236 PolarHBondContact OG-N 3.34Å; S234-Y236 VanDerWaalsContact OG-N 3.12Å; S234-Y237 VanDerWaalsContact O-CB 3.23Å; S234-Y237 WeakPolarHBondContact O-CB 3.18Å; S234-Y237 PolarHBondContact O-N 3.47Å
235K94Very high94.5Very high120 Ų12065.3 Ų65.352%0.52232%0.315SS..THydrogen-bonded Turntrans-58.9-21.7168.669.7179.3-173.1173.70112.7F164 Y237F164-K235 HydrophobicContact CE1-CB 4.48Å; F164-K235 WeakPolarHBondContact CE1-O 3.4Å; F164-K235 HydrophobicContact CZ-CG 4.48Å; K235-Y237 VanDerWaalsContact C-N 3.33Å
236Y95.1Very high94.6Very high99 Ų9967 Ų6739%0.38833%0.325SS..THydrogen-bonded Turntrans-91.814.9178.3-56-77.1000113.2F164 S234 V238F164-Y236 HydrophobicContact CE2-CE1 4.13Å; F164-Y236 AromaticContact CZ-CD1 3.74Å; F164-Y236 HydrophobicContact CZ-CD1 3.74Å; F164-Y236 AromaticContact CZ-CE1 3.79Å; F164-Y236 HydrophobicContact CZ-CE1 3.79Å; S234-Y236 PolarHBondContact O-N 2.73Å; S234-Y236 VanDerWaalsContact O-N 3.11Å; S234-Y236 PolarHBondContact OG-N 3.34Å; S234-Y236 VanDerWaalsContact OG-N 3.12Å; Y236-V238 PolarHBondContact O-N 2.87Å
237Y95.8Very high94.7Very high56 Ų5666.5 Ų66.522%0.2232%0.32CS..BIsolated β-bridgetrans-62.8110.8-175.1169.9-112000114V229 R230 D231 K232 S234 K235 P239 Y279V229-Y237 CarbonylContact O-C 3.41Å; V229-Y237 WeakPolarHBondContact O-CA 3.31Å; R230-Y237 WeakPolarHBondContact O-CE2 3.31Å; D231-Y237 WeakPolarHBondContact O-CB 3.33Å; K232-Y237 HydrophobicContact CB-CD2 4.43Å; K232-Y237 HydrophobicContact CG-CD1 4.33Å; K232-Y237 HydrophobicContact CG-CD2 3.98Å; K232-Y237 HydrophobicContact CG-CE1 4Å; K232-Y237 HydrophobicContact CG-CE2 3.59Å; K232-Y237 HydrophobicContact CG-CG 4.32Å; S234-Y237 VanDerWaalsContact O-CB 3.23Å; S234-Y237 WeakPolarHBondContact O-CB 3.18Å; S234-Y237 PolarHBondContact O-N 3.47Å; K235-Y237 VanDerWaalsContact C-N 3.33Å; Y237-P239 HydrophobicContact CE1-CB 3.96Å; Y237-P239 HydrophobicContact CE1-CG 4.34Å; Y237-P239 WeakPolarHBondContact O-CD 3.4Å; Y237-Y279 VanDerWaalsContact C-OH 3.25Å; Y237-Y279 PolarHBondContact O-OH 2.91Å
238V96.1Very high94.8Very high0 Ų066 Ų660%032%0.316CS..  trans-101.9117.6175-178.70000110.7P228 V229 R230 Y236 M242 Y248 M278 I280P228-V238 HydrophobicContact CB-CB 4.18Å; V229-V238 PolarHBondContact O-N 2.94Å; R230-V238 VanDerWaalsContact CD-O 3.26Å; R230-V238 WeakPolarHBondContact CD-O 3.45Å; R230-V238 PolarHBondContact NH1-O 2.76Å; Y236-V238 PolarHBondContact O-N 2.87Å; V238-M242 HydrophobicContact CG1-CB 4.24Å; V238-M242 HydrophobicContact CG1-CG 4.18Å; V238-M242 HydrophobicContact CG1-SD 4.1Å; V238-Y248 WeakPolarHBondContact CG2-OH 3.32Å; V238-M278 HydrophobicContact CG1-SD 4.48Å; V238-M278 HydrophobicContact CG2-CE 4.3Å; V238-M278 HydrophobicContact CG2-SD 4.49Å; V238-I280 HydrophobicContact CG2-CD1 3.4Å; V238-I280 VanDerWaalsContact CG2-CD1 3.4Å; V238-I280 HydrophobicContact CG2-CG1 4.37Å
239P95.7Very high94.8Very high29 Ų2966.1 Ų66.119%0.18832%0.317CS..  trans-70.3155.6175.827.2-31.6000112.1R230 Y237 E241 M242 Y243R230-P239 PolarHBondContact NH1-O 2.8Å; R230-P239 VanDerWaalsContact NH1-O 3.09Å; Y237-P239 HydrophobicContact CE1-CB 3.96Å; Y237-P239 HydrophobicContact CE1-CG 4.34Å; Y237-P239 WeakPolarHBondContact O-CD 3.4Å; P239-E241 WeakPolarHBondContact CB-OE2 3.34Å; P239-E241 PolarHBondContact O-N 2.77Å; P239-M242 HydrophobicContact CG-CB 3.8Å; P239-M242 PolarHBondContact O-N 2.6Å; P239-Y243 PolarHBondContact O-N 3.13Å; P239-Y243 VanDerWaalsContact O-N 3.12Å
240Y94.9Very high94.9Very high136 Ų13664.6 Ų64.653%0.53331%0.307SS..THydrogen-bonded Turntrans-65.1-30.2-179-80.9-78.4000112.4R230 M242 Y243 K244R230-Y240 HydrophobicContact CG-CE2 4.44Å; Y240-M242 VanDerWaalsContact C-N 3.26Å; Y240-M242 PolarHBondContact O-N 3.03Å; Y240-Y243 CarbonylContact O-C 3.55Å; Y240-Y243 VanDerWaalsContact O-C 3.3Å; Y240-Y243 PolarHBondContact O-N 3.26Å; Y240-K244 PolarHBondContact O-N 2.86Å
241E93Very high95Very high168 Ų16863.1 Ų63.179%0.78530%0.301SS*.THydrogen-bonded Turntrans-65.3-31.7177.7-60.472.2-15600111.7P239P239-E241 WeakPolarHBondContact CB-OE2 3.34Å; P239-E241 PolarHBondContact O-N 2.77Å
242M92.9Very high95.3Very high51 Ų5158.8 Ų58.825%0.25128%0.278SS..THydrogen-bonded Turntrans-81.9-42.7176.1178.8175.9-69.100111.7V238 P239 Y240 S277 M278 Y279V238-M242 HydrophobicContact CG1-CB 4.24Å; V238-M242 HydrophobicContact CG1-CG 4.18Å; V238-M242 HydrophobicContact CG1-SD 4.1Å; P239-M242 HydrophobicContact CG-CB 3.8Å; P239-M242 PolarHBondContact O-N 2.6Å; Y240-M242 VanDerWaalsContact C-N 3.26Å; Y240-M242 PolarHBondContact O-N 3.03Å; M242-S277 WeakPolarHBondContact CE-O 3.49Å; M242-M278 HydrophobicContact CG-SD 4.29Å; M242-M278 HydrophobicContact SD-SD 3.92Å; M242-Y279 HydrophobicContact CE-CD1 3.77Å; M242-Y279 HydrophobicContact CE-CE1 3.89Å; M242-Y279 HydrophobicContact SD-CD1 3.95Å; M242-Y279 HydrophobicContact SD-CE1 3.89Å
243Y94.9Very high95.4Very high3 Ų351 Ų511%0.01224%0.244CC..  trans-147.6113-178.5-164.4-90.9000110.1F56 L61 P228 R230 P239 Y240 W245 A247 Y248 L287F56-Y243 AromaticContact CE2-CE2 3.95Å; F56-Y243 HydrophobicContact CE2-CE2 3.95Å; F56-Y243 AromaticContact CE2-CZ 3.88Å; F56-Y243 WeakPolarHBondContact CE2-OH 3.48Å; F56-Y243 HydrophobicContact CZ-CE2 4.49Å; F56-Y243 AromaticContact CZ-CZ 3.97Å; F56-Y243 WeakPolarHBondContact CZ-OH 3.47Å; L61-Y243 HydrophobicContact CD1-CD2 4.45Å; L61-Y243 HydrophobicContact CD1-CE2 4.18Å; P228-Y243 HydrophobicContact CB-CD1 4.48Å; P228-Y243 HydrophobicContact CG-CD1 4.29Å; R230-Y243 VanDerWaalsContact CZ-O 3.24Å; R230-Y243 PolarHBondContact NH1-O 3.44Å; R230-Y243 PolarHBondContact NH2-O 2.74Å; P239-Y243 PolarHBondContact O-N 3.13Å; P239-Y243 VanDerWaalsContact O-N 3.12Å; Y240-Y243 CarbonylContact O-C 3.55Å; Y240-Y243 VanDerWaalsContact O-C 3.3Å; Y240-Y243 PolarHBondContact O-N 3.26Å; Y243-W245 HydrophobicContact CD1-CB 4.34Å; Y243-W245 HydrophobicContact CD1-CE3 4.21Å; Y243-W245 WeakPolarHBondContact CD1-O 3.36Å; Y243-W245 AromaticContact CD2-CE3 3.99Å; Y243-W245 HydrophobicContact CD2-CE3 3.99Å; Y243-W245 HydrophobicContact CD2-CZ3 4.27Å; Y243-W245 HydrophobicContact CE1-CB 3.65Å; Y243-W245 HydrophobicContact CE1-CE3 4.11Å; Y243-W245 WeakPolarHBondContact CE1-O 3.46Å; Y243-W245 AromaticContact CE2-CE3 3.86Å; Y243-W245 HydrophobicContact CE2-CE3 3.86Å; Y243-W245 HydrophobicContact CE2-CZ3 4.35Å; Y243-W245 HydrophobicContact CG-CE3 4.16Å; Y243-W245 AromaticContact CZ-CE3 3.92Å; Y243-A247 PolarHBondContact OH-O 3.37Å; Y243-Y248 HydrophobicContact CD1-CD1 4.03Å; Y243-Y248 AromaticContact CD1-CE1 3.59Å; Y243-Y248 HydrophobicContact CD1-CE1 3.59Å; Y243-Y248 HydrophobicContact CD2-CD1 4.3Å; Y243-Y248 HydrophobicContact CD2-CE1 4.03Å; Y243-Y248 AromaticContact CE1-CD1 3.52Å; Y243-Y248 HydrophobicContact CE1-CD1 3.52Å; Y243-Y248 AromaticContact CE1-CE1 3.6Å; Y243-Y248 HydrophobicContact CE1-CE1 3.6Å; Y243-Y248 AromaticContact CE2-CD1 3.85Å; Y243-Y248 HydrophobicContact CE2-CD1 3.85Å; Y243-Y248 HydrophobicContact CE2-CE1 4.06Å; Y243-Y248 HydrophobicContact CG-CD1 4.37Å; Y243-Y248 AromaticContact CG-CE1 3.79Å; Y243-Y248 HydrophobicContact CG-CE1 3.79Å; Y243-Y248 AromaticContact CZ-CD1 3.42Å; Y243-Y248 VanDerWaalsContact CZ-CD1 3.42Å; Y243-Y248 AromaticContact CZ-CE1 3.84Å; Y243-Y248 WeakPolarHBondContact OH-CA 3.39Å; Y243-L287 HydrophobicContact CE2-CD2 4.17Å
244K94.4Very high95.5Very high131 Ų13146.5 Ų46.557%0.5721%0.214SC*.  trans-93.9-16.8-173.664.4-178.6176.5-176.80114.9Y240Y240-K244 PolarHBondContact O-N 2.86Å
245W95Very high95.6Very high38 Ų3845.1 Ų45.114%0.14420%0.204CC..SBendtrans-79.4157.6-175-57.9-93000112.3F56 S60 L61 P228 R230 Y243F56-W245 HydrophobicContact CB-CD2 4.38Å; F56-W245 VanDerWaalsContact CB-CE2 3.45Å; F56-W245 HydrophobicContact CB-CH2 4.17Å; F56-W245 HydrophobicContact CB-CZ2 3.34Å; F56-W245 AromaticContact CD1-CD1 3.48Å; F56-W245 VanDerWaalsContact CD1-CD1 3.48Å; F56-W245 HydrophobicContact CD1-CD2 4Å; F56-W245 AromaticContact CD1-CE2 3.76Å; F56-W245 AromaticContact CD1-CG 3.88Å; F56-W245 HydrophobicContact CD1-CG 3.88Å; F56-W245 HydrophobicContact CD1-CZ2 4.48Å; F56-W245 AromaticContact CD1-NE1 3.38Å; F56-W245 AromaticContact CD2-CD2 3.39Å; F56-W245 HydrophobicContact CD2-CD2 3.39Å; F56-W245 AromaticContact CD2-CE2 3.34Å; F56-W245 AromaticContact CD2-CE3 3.55Å; F56-W245 HydrophobicContact CD2-CE3 3.55Å; F56-W245 HydrophobicContact CD2-CG 4.08Å; F56-W245 AromaticContact CD2-CH2 3.64Å; F56-W245 HydrophobicContact CD2-CH2 3.64Å; F56-W245 AromaticContact CD2-CZ2 3.49Å; F56-W245 HydrophobicContact CD2-CZ2 3.49Å; F56-W245 VanDerWaalsContact CD2-CZ2 3.49Å; F56-W245 AromaticContact CD2-CZ3 3.66Å; F56-W245 HydrophobicContact CD2-CZ3 3.66Å; F56-W245 AromaticContact CD2-NE1 3.89Å; F56-W245 HydrophobicContact CE1-CB 4.15Å; F56-W245 AromaticContact CE1-CD1 3.63Å; F56-W245 HydrophobicContact CE1-CD2 4.07Å; F56-W245 AromaticContact CE1-CG 3.69Å; F56-W245 HydrophobicContact CE1-CG 3.69Å; F56-W245 AromaticContact CE1-NE1 4Å; F56-W245 HydrophobicContact CE2-CB 4.45Å; F56-W245 AromaticContact CE2-CD2 3.5Å; F56-W245 HydrophobicContact CE2-CD2 3.5Å; F56-W245 AromaticContact CE2-CE2 3.97Å; F56-W245 AromaticContact CE2-CE3 3.5Å; F56-W245 HydrophobicContact CE2-CE3 3.5Å; F56-W245 VanDerWaalsContact CE2-CE3 3.5Å; F56-W245 AromaticContact CE2-CG 3.92Å; F56-W245 HydrophobicContact CE2-CG 3.92Å; F56-W245 HydrophobicContact CE2-CH2 4.4Å; F56-W245 HydrophobicContact CE2-CZ2 4.41Å; F56-W245 AromaticContact CE2-CZ3 3.97Å; F56-W245 HydrophobicContact CE2-CZ3 3.97Å; F56-W245 AromaticContact CG-CD1 3.83Å; F56-W245 AromaticContact CG-CD2 3.67Å; F56-W245 HydrophobicContact CG-CD2 3.67Å; F56-W245 AromaticContact CG-CE2 3.22Å; F56-W245 HydrophobicContact CG-CE3 4.28Å; F56-W245 HydrophobicContact CG-CG 4.07Å; F56-W245 HydrophobicContact CG-CH2 4.17Å; F56-W245 AromaticContact CG-CZ2 3.54Å; F56-W245 HydrophobicContact CG-CZ2 3.54Å; F56-W245 AromaticContact CG-NE1 3.3Å; F56-W245 VanDerWaalsContact CG-NE1 3.3Å; F56-W245 HydrophobicContact CZ-CB 3.96Å; F56-W245 AromaticContact CZ-CD2 3.83Å; F56-W245 HydrophobicContact CZ-CD2 3.83Å; F56-W245 HydrophobicContact CZ-CE3 4.17Å; F56-W245 AromaticContact CZ-CG 3.7Å; F56-W245 HydrophobicContact CZ-CG 3.7Å; S60-W245 VanDerWaalsContact CB-CH2 3.5Å; L61-W245 HydrophobicContact CD1-CZ3 4.26Å; L61-W245 HydrophobicContact CD2-CH2 4.3Å; L61-W245 HydrophobicContact CD2-CZ3 4.01Å; L61-W245 HydrophobicContact CG-CH2 4.26Å; L61-W245 HydrophobicContact CG-CZ3 4.13Å; P228-W245 WeakPolarHBondContact CG-O 3.18Å; R230-W245 PolarHBondContact NH2-O 3.33Å; Y243-W245 HydrophobicContact CD1-CB 4.34Å; Y243-W245 HydrophobicContact CD1-CE3 4.21Å; Y243-W245 WeakPolarHBondContact CD1-O 3.36Å; Y243-W245 AromaticContact CD2-CE3 3.99Å; Y243-W245 HydrophobicContact CD2-CE3 3.99Å; Y243-W245 HydrophobicContact CD2-CZ3 4.27Å; Y243-W245 HydrophobicContact CE1-CB 3.65Å; Y243-W245 HydrophobicContact CE1-CE3 4.11Å; Y243-W245 WeakPolarHBondContact CE1-O 3.46Å; Y243-W245 AromaticContact CE2-CE3 3.86Å; Y243-W245 HydrophobicContact CE2-CE3 3.86Å; Y243-W245 HydrophobicContact CE2-CZ3 4.35Å; Y243-W245 HydrophobicContact CG-CE3 4.16Å; Y243-W245 AromaticContact CZ-CE3 3.92Å
246P94.2Very high95.8Very high43 Ų4339.6 Ų39.628%0.27918%0.181SC..SBendtrans-81-14.6-175.431.9-37000114.6K43 S44 Y47 P228K43-P246 HydrophobicContact CB-CB 4.21Å; S44-P246 WeakPolarHBondContact CB-O 3.27Å; S44-P246 PolarHBondContact OG-O 2.89Å; Y47-P246 HydrophobicContact CD1-CG 4.28Å; Y47-P246 HydrophobicContact CD2-CG 3.44Å; Y47-P246 VanDerWaalsContact CD2-CG 3.44Å; Y47-P246 HydrophobicContact CE2-CG 4.13Å; Y47-P246 HydrophobicContact CG-CG 3.54Å; P228-P246 WeakPolarHBondContact CD-O 3.42Å
247A96.4Very high96Very high0 Ų035 Ų350%016%0.163CC..SBendtrans-142.7139.6-174.800000110.2S44 Y47 Y54 Y243S44-A247 WeakPolarHBondContact OG-CA 3.29Å; S44-A247 WeakPolarHBondContact OG-CB 3.49Å; Y47-A247 HydrophobicContact CD1-CB 3.76Å; Y47-A247 HydrophobicContact CE1-CB 4.44Å; Y47-A247 HydrophobicContact CG-CB 4.43Å; Y54-A247 HydrophobicContact CE1-CB 4.45Å; Y243-A247 PolarHBondContact OH-O 3.37Å
248Y96.8Very high96.1Very high5 Ų532.3 Ų32.32%0.0215%0.153CC..PPolyproline II helixtrans-75.3154.9164.6-56.7-51.4000111.2Y54 G226 P228 V238 Y243 Y251 M278 V283Y54-Y248 VanDerWaalsContact CE1-O 3.27Å; Y54-Y248 WeakPolarHBondContact CE1-O 3.15Å; Y54-Y248 PolarHBondContact OH-O 3.34Å; G226-Y248 WeakPolarHBondContact O-CD2 3.42Å; G226-Y248 PolarHBondContact O-N 3Å; P228-Y248 VanDerWaalsContact CA-OH 3.26Å; P228-Y248 WeakPolarHBondContact CA-OH 3.38Å; P228-Y248 HydrophobicContact CB-CE1 4.12Å; P228-Y248 HydrophobicContact CB-CE2 4.27Å; P228-Y248 VanDerWaalsContact CB-OH 3.23Å; P228-Y248 WeakPolarHBondContact CB-OH 3.36Å; V238-Y248 WeakPolarHBondContact CG2-OH 3.32Å; Y243-Y248 HydrophobicContact CD1-CD1 4.03Å; Y243-Y248 AromaticContact CD1-CE1 3.59Å; Y243-Y248 HydrophobicContact CD1-CE1 3.59Å; Y243-Y248 HydrophobicContact CD2-CD1 4.3Å; Y243-Y248 HydrophobicContact CD2-CE1 4.03Å; Y243-Y248 AromaticContact CE1-CD1 3.52Å; Y243-Y248 HydrophobicContact CE1-CD1 3.52Å; Y243-Y248 AromaticContact CE1-CE1 3.6Å; Y243-Y248 HydrophobicContact CE1-CE1 3.6Å; Y243-Y248 AromaticContact CE2-CD1 3.85Å; Y243-Y248 HydrophobicContact CE2-CD1 3.85Å; Y243-Y248 HydrophobicContact CE2-CE1 4.06Å; Y243-Y248 HydrophobicContact CG-CD1 4.37Å; Y243-Y248 AromaticContact CG-CE1 3.79Å; Y243-Y248 HydrophobicContact CG-CE1 3.79Å; Y243-Y248 AromaticContact CZ-CD1 3.42Å; Y243-Y248 VanDerWaalsContact CZ-CD1 3.42Å; Y243-Y248 AromaticContact CZ-CE1 3.84Å; Y243-Y248 WeakPolarHBondContact OH-CA 3.39Å; Y248-Y251 HydrophobicContact CD2-CE1 4.05Å; Y248-M278 HydrophobicContact CD1-CE 4.28Å; Y248-M278 HydrophobicContact CE1-CE 3.47Å; Y248-M278 VanDerWaalsContact CE1-CE 3.47Å; Y248-V283 HydrophobicContact CD1-CG1 3.45Å; Y248-V283 VanDerWaalsContact CD1-CG1 3.45Å; Y248-V283 HydrophobicContact CD2-CG1 4.01Å; Y248-V283 HydrophobicContact CD2-CG2 3.73Å; Y248-V283 HydrophobicContact CE1-CG1 3.77Å; Y248-V283 HydrophobicContact CE2-CG1 4.26Å; Y248-V283 HydrophobicContact CE2-CG2 3.78Å; Y248-V283 HydrophobicContact CG-CG1 3.59Å; Y248-V283 HydrophobicContact CG-CG2 4.16Å
249P96.4Very high96.3Very high5 Ų532.3 Ų32.33%0.03215%0.153CC..PPolyproline II helixtrans-55.1157.6158.5-18.930.3000110.2Y54 V57 Y251 L287 N290Y54-P249 HydrophobicContact CD1-CB 4.13Å; Y54-P249 HydrophobicContact CD1-CG 3.58Å; Y54-P249 HydrophobicContact CE1-CB 4.33Å; Y54-P249 HydrophobicContact CE1-CG 4.1Å; Y54-P249 HydrophobicContact CG-CB 4.21Å; Y54-P249 HydrophobicContact CG-CG 3.89Å; V57-P249 HydrophobicContact CG2-CG 4.23Å; P249-Y251 WeakPolarHBondContact O-CD1 3.48Å; P249-Y251 PolarHBondContact O-N 3.09Å; P249-L287 HydrophobicContact CG-CD2 4Å; P249-N290 HydrophobicContact CB-CB 3.91Å; P249-N290 HydrophobicContact CG-CB 4.02Å
250D96.9Very high96.4Very high25 Ų2531 Ų3113%0.13414%0.144CC..PPolyproline II helixtrans-59.9137.7176.8-68.6-3.8000110.5R48 V222 H223 R224 G225 P296R48-D250 IonicContact CZ-OD1 3.44Å; R48-D250 IonicContact CZ-OD2 3.77Å; R48-D250 IonicContact NE-OD1 3.63Å; R48-D250 PolarHBondContact NE-OD1 3.05Å; R48-D250 IonicContact NE-OD2 2.73Å; R48-D250 IonicContact NH2-OD1 3.34Å; R48-D250 IonicContact NH2-OD2 2.92Å; R48-D250 PolarHBondContact NH2-OD2 2.74Å; V222-D250 HydrophobicContact CG1-CB 4.28Å; H223-D250 WeakPolarHBondContact O-CA 3.38Å; R224-D250 VanDerWaalsContact CA-OD1 3.24Å; R224-D250 WeakPolarHBondContact CA-OD1 3.46Å; G225-D250 PolarHBondContact N-OD1 3.38Å; D250-P296 HydrophobicContact CB-CG 3.82Å
251Y97.9Very high96.6Very high26 Ų2627.2 Ų27.210%0.10213%0.134CC..EExtended strand (participates in β ladder)trans-144.9159.2-179.166.1-81.8000111.7V222 H223 Y248 P249 D282 V283V222-Y251 CarbonylContact C-O 3.55Å; V222-Y251 WeakPolarHBondContact CA-O 3.37Å; H223-Y251 HydrophobicContact CB-CD1 4.02Å; H223-Y251 HydrophobicContact CB-CD2 4.23Å; H223-Y251 HydrophobicContact CB-CE1 3.59Å; H223-Y251 HydrophobicContact CB-CE2 3.84Å; H223-Y251 HydrophobicContact CB-CG 4.32Å; H223-Y251 VanDerWaalsContact CB-CZ 3.49Å; H223-Y251 AromaticContact CD2-CE2 3.43Å; H223-Y251 VanDerWaalsContact CD2-CE2 3.43Å; H223-Y251 WeakPolarHBondContact CD2-CE2 3.43Å; H223-Y251 AromaticContact CD2-CZ 3.81Å; H223-Y251 AromaticContact CG-CE2 3.9Å; H223-Y251 AromaticContact CG-CZ 3.81Å; H223-Y251 PolarHBondContact N-O 2.84Å; H223-Y251 PolarHBondContact O-N 3.01Å; H223-Y251 VanDerWaalsContact O-N 3.17Å; Y248-Y251 HydrophobicContact CD2-CE1 4.05Å; P249-Y251 WeakPolarHBondContact O-CD1 3.48Å; P249-Y251 PolarHBondContact O-N 3.09Å; Y251-D282 WeakPolarHBondContact CB-O 3.27Å; Y251-D282 HydrophobicContact CD2-CB 3.91Å; Y251-D282 HydrophobicContact CE2-CB 4.26Å; Y251-V283 HydrophobicContact CD1-CG2 4.3Å; Y251-V283 HydrophobicContact CD2-CG2 4.34Å; Y251-V283 HydrophobicContact CE1-CG2 3.91Å; Y251-V283 HydrophobicContact CE2-CG2 3.94Å
252T98.2Very high96.8Very high0 Ų020 Ų200%010%0.1CC..EExtended strand (participates in β ladder)trans-89.5144.4172.554.80000111W218 H221 V222 G254 Y257 D282 P296W218-T252 HydrophobicContact CD2-CG2 4.42Å; W218-T252 HydrophobicContact CZ2-CG2 3.88Å; W218-T252 VanDerWaalsContact CZ2-OG1 3.27Å; W218-T252 WeakPolarHBondContact CZ2-OG1 3.41Å; W218-T252 VanDerWaalsContact NE1-CG2 3.32Å; W218-T252 PolarHBondContact NE1-OG1 3.47Å; H221-T252 CarbonylContact O-C 3.53Å; H221-T252 WeakPolarHBondContact O-CA 3.36Å; V222-T252 HydrophobicContact CG2-CG2 4.11Å; T252-G254 PolarHBondContact O-N 3.3Å; T252-Y257 WeakPolarHBondContact OG1-CB 3.27Å; T252-Y257 WeakPolarHBondContact OG1-CD1 3.42Å; T252-D282 WeakPolarHBondContact O-CB 3.39Å; T252-P296 HydrophobicContact CG2-CB 3.88Å
253A96.9Very high97.1Very high0 Ų017.6 Ų17.60%09%0.089CC..EExtended strand (participates in β ladder)trans-50.2136.817300000112.3H221 A255 A256 E305H221-A253 HydrophobicContact CB-CB 4.2Å; H221-A253 PolarHBondContact O-N 2.96Å; A253-A255 HydrophobicContact CB-CB 4.49Å; A253-A255 PolarHBondContact O-N 3.37Å; A253-A255 VanDerWaalsContact O-N 3.09Å; A253-A256 PolarHBondContact O-N 2.71Å; A253-E305 WeakPolarHBondContact CB-OE1 3.34Å
254G95.6Very high97.3Very high6 Ų617.9 Ų17.96%0.0629%0.091CC..EExtended strand (participates in β ladder)trans-62-16.6178.800000114.7K94 T252 A256 D282K94-G254 PolarHBondContact NZ-O 3.18Å; T252-G254 PolarHBondContact O-N 3.3Å; G254-A256 PolarHBondContact O-N 3.05Å; G254-D282 PolarHBondContact N-OD2 3.02Å
255A96.9Very high97.5Very high6 Ų613.5 Ų13.55%0.058%0.079CC..EExtended strand (participates in β ladder)trans-52.2-53.9176.800000112.3A191 D192 I195 A253 G304A191-A255 CarbonylContact C-O 3.3Å; A191-A255 VanDerWaalsContact CA-O 3.23Å; A191-A255 WeakPolarHBondContact CA-O 3.21Å; D192-A255 PolarHBondContact N-O 2.84Å; I195-A255 HydrophobicContact CD1-CB 3.85Å; I195-A255 HydrophobicContact CG1-CB 4.41Å; I195-A255 VanDerWaalsContact CG1-O 3.31Å; I195-A255 WeakPolarHBondContact CG1-O 3.33Å; A253-A255 HydrophobicContact CB-CB 4.49Å; A253-A255 PolarHBondContact O-N 3.37Å; A253-A255 VanDerWaalsContact O-N 3.09Å; A255-G304 WeakPolarHBondContact CB-O 3.38Å
256A98.4Very high97.7Very high5 Ų514.8 Ų14.84%0.0419%0.086CC..EExtended strand (participates in β ladder)trans-165143.8174.200000112.1M189 T190 A191 I195 A253 G254 F302 T320M189-A256 HydrophobicContact CE-CB 3.94Å; T190-A256 VanDerWaalsContact O-CA 3.24Å; T190-A256 WeakPolarHBondContact O-CA 3.38Å; A191-A256 HydrophobicContact CB-CB 4.18Å; I195-A256 HydrophobicContact CG2-CB 4.34Å; A253-A256 PolarHBondContact O-N 2.71Å; G254-A256 PolarHBondContact O-N 3.05Å; A256-F302 HydrophobicContact CB-CD1 4.42Å; A256-F302 HydrophobicContact CB-CE1 4.41Å; A256-F302 WeakPolarHBondContact O-CD1 3.37Å; A256-T320 HydrophobicContact CB-CG2 3.99Å
257Y98.7Very high97.9Very high1 Ų112.7 Ų12.70%0.0047%0.073CC..EExtended strand (participates in β ladder)trans-156.2160.3170.860.4-102000111F171 F175 M189 T190 W218 I219 T252 V259 M285F171-Y257 WeakPolarHBondContact CE2-OH 3.39Å; F175-Y257 HydrophobicContact CE2-CE2 4.5Å; F175-Y257 WeakPolarHBondContact CE2-OH 3.34Å; F175-Y257 HydrophobicContact CZ-CE2 4.1Å; M189-Y257 WeakPolarHBondContact CA-O 3.47Å; M189-Y257 WeakPolarHBondContact CG-O 3.39Å; T190-Y257 HydrophobicContact CG2-CD1 3.54Å; T190-Y257 HydrophobicContact CG2-CD2 4.02Å; T190-Y257 HydrophobicContact CG2-CE1 3.13Å; T190-Y257 HydrophobicContact CG2-CE2 3.63Å; T190-Y257 HydrophobicContact CG2-CG 3.97Å; T190-Y257 PolarHBondContact N-O 3.19Å; T190-Y257 PolarHBondContact O-N 2.72Å; W218-Y257 AromaticContact NE1-CD2 3.8Å; W218-Y257 AromaticContact NE1-CG 3.85Å; I219-Y257 CarbonylContact O-C 3.53Å; I219-Y257 VanDerWaalsContact O-CA 3.24Å; I219-Y257 WeakPolarHBondContact O-CA 3.39Å; I219-Y257 WeakPolarHBondContact O-CB 3.43Å; T252-Y257 WeakPolarHBondContact OG1-CB 3.27Å; T252-Y257 WeakPolarHBondContact OG1-CD1 3.42Å; Y257-V259 HydrophobicContact CD2-CG1 4.13Å; Y257-V259 HydrophobicContact CE2-CG1 4.3Å; Y257-M285 HydrophobicContact CE1-CG 4.46Å; Y257-M285 HydrophobicContact CE2-CE 4.26Å; Y257-M285 HydrophobicContact CE2-SD 4.49Å
258V98.9Very high97.9Very high0 Ų015.4 Ų15.40%08%0.083CC..EExtended strand (participates in β ladder)trans-122.4139.7175.9-177.70000109.6F187 L188 M189 L202 L206 W218 I219 F302F187-V258 HydrophobicContact CB-CG1 3.99Å; F187-V258 HydrophobicContact CD1-CG1 4.16Å; F187-V258 HydrophobicContact CG-CG1 4.38Å; L188-V258 CarbonylContact O-C 3.58Å; L188-V258 WeakPolarHBondContact O-CA 3.06Å; M189-V258 HydrophobicContact CB-CG2 3.96Å; M189-V258 HydrophobicContact CG-CG2 3.81Å; M189-V258 HydrophobicContact SD-CG2 3.91Å; L202-V258 HydrophobicContact CD1-CG2 4.34Å; L206-V258 HydrophobicContact CD2-CG1 3.97Å; W218-V258 CarbonylContact C-O 3.42Å; W218-V258 WeakPolarHBondContact CA-O 3.28Å; I219-V258 HydrophobicContact CD1-CB 4.22Å; I219-V258 HydrophobicContact CG1-CB 3.81Å; I219-V258 HydrophobicContact CG1-CG2 4.48Å; I219-V258 PolarHBondContact N-O 3.48Å; I219-V258 PolarHBondContact O-N 2.98Å; V258-F302 HydrophobicContact CG2-CE1 4.29Å; V258-F302 HydrophobicContact CG2-CZ 3.82Å
259V98.8Very high97.9Very high0 Ų021.5 Ų21.50%011%0.112CC..EExtended strand (participates in β ladder)trans-126150.8171.7-60.90000111.1F175 F187 L188 F217 W218 Y257 V263 A264 M285F175-V259 HydrophobicContact CE1-CG2 4.41Å; F187-V259 WeakPolarHBondContact CA-O 2.96Å; L188-V259 HydrophobicContact CB-CG2 3.81Å; L188-V259 HydrophobicContact CD2-CG2 3.76Å; L188-V259 HydrophobicContact CG-CG2 4.42Å; L188-V259 PolarHBondContact N-O 3.24Å; L188-V259 PolarHBondContact O-N 3.23Å; F217-V259 CarbonylContact O-C 3.54Å; F217-V259 WeakPolarHBondContact O-CA 3.23Å; W218-V259 HydrophobicContact CB-CG1 3.98Å; W218-V259 VanDerWaalsContact CD1-CG1 3.48Å; W218-V259 HydrophobicContact CG-CG1 3.83Å; Y257-V259 HydrophobicContact CD2-CG1 4.13Å; Y257-V259 HydrophobicContact CE2-CG1 4.3Å; V259-V263 HydrophobicContact CB-CB 4.02Å; V259-V263 HydrophobicContact CB-CG1 3.77Å; V259-V263 HydrophobicContact CG1-CG1 3.79Å; V259-A264 HydrophobicContact CG2-CB 3.98Å; V259-M285 HydrophobicContact CG1-CE 3.81Å
260S98.7Very high97.9Very high2 Ų221.4 Ų21.41%0.01411%0.111CC..EExtended strand (participates in β ladder)trans-70.4159.416753.50000111.1F217 D262 V263 A264F217-S260 PolarHBondContact N-OG 2.92Å; F217-S260 VanDerWaalsContact N-OG 3.12Å; F217-S260 PolarHBondContact O-N 2.99Å; F217-S260 PolarHBondContact O-OG 3.39Å; S260-D262 VanDerWaalsContact C-N 3.29Å; S260-D262 WeakPolarHBondContact CB-OD1 3.03Å; S260-D262 PolarHBondContact O-N 3.3Å; S260-D262 PolarHBondContact OG-OD1 2.91Å; S260-V263 PolarHBondContact O-N 3.06Å; S260-V263 VanDerWaalsContact O-N 3.1Å; S260-A264 PolarHBondContact O-N 3.34Å
261N98.1Very high97.9Very high57 Ų5720.3 Ų20.331%0.30511%0.106SC..Hα-helixtrans-48.8-46.7178.9-179.2-97.1000114.1P183 A185 R186 V263 A264 A265P183-N261 PolarHBondContact O-ND2 2.54Å; P183-N261 PolarHBondContact O-OD1 3.45Å; A185-N261 VanDerWaalsContact O-CB 3.29Å; A185-N261 WeakPolarHBondContact O-CB 3.33Å; A185-N261 PolarHBondContact O-ND2 2.98Å; R186-N261 PolarHBondContact O-N 3.18Å; N261-V263 VanDerWaalsContact C-N 3.35Å; N261-V263 PolarHBondContact O-N 2.65Å; N261-A264 WeakPolarHBondContact O-CB 3.41Å; N261-A264 PolarHBondContact O-N 3.24Å; N261-A265 PolarHBondContact O-N 3.33Å
262D98.4Very high97.6Very high17 Ų1723.8 Ų23.89%0.09112%0.123CC..Hα-helixtrans-67.6-36.1-178.563-40.3000112.2R215 D216 S260 A265 K266R215-D262 IonicContact NE-OD2 2.78Å; R215-D262 IonicContact NH2-OD2 3.7Å; D216-D262 PolarHBondContact N-OD2 3.04Å; S260-D262 VanDerWaalsContact C-N 3.29Å; S260-D262 WeakPolarHBondContact CB-OD1 3.03Å; S260-D262 PolarHBondContact O-N 3.3Å; S260-D262 PolarHBondContact OG-OD1 2.91Å; D262-A265 PolarHBondContact O-N 2.94Å; D262-K266 VanDerWaalsContact O-CG 3.27Å; D262-K266 WeakPolarHBondContact O-CG 3.39Å; D262-K266 PolarHBondContact O-N 2.04Å
263V98.8Very high97.4Very high0 Ų026.4 Ų26.40%014%0.139CC..Hα-helixtrans-66.4-42.3171.7173.80000110.3V259 S260 N261 A265 K266 I267 V294V259-V263 HydrophobicContact CB-CB 4.02Å; V259-V263 HydrophobicContact CB-CG1 3.77Å; V259-V263 HydrophobicContact CG1-CG1 3.79Å; S260-V263 PolarHBondContact O-N 3.06Å; S260-V263 VanDerWaalsContact O-N 3.1Å; N261-V263 VanDerWaalsContact C-N 3.35Å; N261-V263 PolarHBondContact O-N 2.65Å; V263-A265 VanDerWaalsContact C-N 3.29Å; V263-A265 PolarHBondContact O-N 3.07Å; V263-K266 PolarHBondContact O-N 3.43Å; V263-I267 HydrophobicContact CG1-CG1 3.87Å; V263-I267 WeakPolarHBondContact O-CB 3.41Å; V263-I267 WeakPolarHBondContact O-CG1 3.35Å; V263-I267 PolarHBondContact O-N 3.29Å; V263-V294 HydrophobicContact CG1-CG1 3.99Å; V263-V294 HydrophobicContact CG1-CG2 4.5Å; V263-V294 HydrophobicContact CG2-CG1 4Å; V263-V294 HydrophobicContact CG2-CG2 4.07Å
264A98.7Very high97.2Very high9 Ų926.6 Ų26.67%0.07414%0.14CC..Hα-helixtrans-56.4-44.1176.300000112.2F175 L188 V259 S260 N261 Y268F175-A264 HydrophobicContact CD1-CB 4.45Å; F175-A264 HydrophobicContact CE1-CB 4.36Å; L188-A264 HydrophobicContact CB-CB 4.25Å; V259-A264 HydrophobicContact CG2-CB 3.98Å; S260-A264 PolarHBondContact O-N 3.34Å; N261-A264 WeakPolarHBondContact O-CB 3.41Å; N261-A264 PolarHBondContact O-N 3.24Å; A264-Y268 PolarHBondContact O-N 2.91Å
265A98.6Very high96.9Very high38 Ų3829.8 Ų29.831%0.31416%0.155SC..Hα-helixtrans-63.8-48.3175.600000112.5N261 D262 V263 I267 Y268 E269N261-A265 PolarHBondContact O-N 3.33Å; D262-A265 PolarHBondContact O-N 2.94Å; V263-A265 VanDerWaalsContact C-N 3.29Å; V263-A265 PolarHBondContact O-N 3.07Å; A265-I267 VanDerWaalsContact C-N 3.32Å; A265-I267 PolarHBondContact O-N 2.9Å; A265-Y268 PolarHBondContact O-N 3.06Å; A265-E269 PolarHBondContact O-N 2.93Å
266K98.6Very high96.6Very high65 Ų6529.9 Ų29.928%0.28316%0.156SC..Hα-helixtrans-59.6-41.5178.1-72.5173.5-177.9-174.90112.4D216 D262 V263 E269 A270 V292 V294D216-K266 IonicContact OD1-NZ 3.22Å; D216-K266 PolarHBondContact OD1-NZ 2.99Å; D216-K266 IonicContact OD2-NZ 3.12Å; D262-K266 VanDerWaalsContact O-CG 3.27Å; D262-K266 WeakPolarHBondContact O-CG 3.39Å; D262-K266 PolarHBondContact O-N 2.04Å; V263-K266 PolarHBondContact O-N 3.43Å; K266-E269 PolarHBondContact O-N 3.26Å; K266-A270 WeakPolarHBondContact O-CB 3.32Å; K266-A270 PolarHBondContact O-N 3.4Å; K266-V292 HydrophobicContact CB-CB 4.15Å; K266-V292 HydrophobicContact CB-CG1 4.26Å; K266-V292 HydrophobicContact CB-CG2 3.95Å; K266-V294 HydrophobicContact CD-CG2 4.27Å
267I98.5Very high96.2Very high0 Ų032.8 Ų32.80%018%0.176CC..Hα-helixtrans-66-42.7178.6-67.7-65.6000110.8F171 F175 V263 A265 A270 S271 M285 C288 A289 V292F171-I267 HydrophobicContact CE1-CG2 4.35Å; F171-I267 HydrophobicContact CE2-CG2 4.34Å; F171-I267 HydrophobicContact CZ-CG2 3.53Å; F175-I267 HydrophobicContact CD1-CB 3.87Å; F175-I267 HydrophobicContact CD1-CG2 3.56Å; F175-I267 HydrophobicContact CE1-CB 3.7Å; F175-I267 HydrophobicContact CE1-CG1 4.29Å; F175-I267 HydrophobicContact CE1-CG2 3.44Å; F175-I267 VanDerWaalsContact CE1-CG2 3.44Å; F175-I267 HydrophobicContact CE2-CG2 4.46Å; F175-I267 HydrophobicContact CG-CG2 4.12Å; F175-I267 HydrophobicContact CZ-CG2 3.93Å; V263-I267 HydrophobicContact CG1-CG1 3.87Å; V263-I267 WeakPolarHBondContact O-CB 3.41Å; V263-I267 WeakPolarHBondContact O-CG1 3.35Å; V263-I267 PolarHBondContact O-N 3.29Å; A265-I267 VanDerWaalsContact C-N 3.32Å; A265-I267 PolarHBondContact O-N 2.9Å; I267-A270 PolarHBondContact O-N 2.93Å; I267-S271 WeakPolarHBondContact O-CB 3.35Å; I267-S271 PolarHBondContact O-N 3.09Å; I267-M285 HydrophobicContact CB-SD 4.47Å; I267-M285 HydrophobicContact CD1-CE 3.78Å; I267-M285 HydrophobicContact CD1-SD 3.8Å; I267-M285 HydrophobicContact CG1-CE 3.83Å; I267-M285 HydrophobicContact CG1-SD 3.97Å; I267-M285 HydrophobicContact CG2-SD 3.7Å; I267-C288 HydrophobicContact CD1-CB 3.82Å; I267-C288 HydrophobicContact CG2-CB 4.05Å; I267-A289 VanDerWaalsContact CD1-CA 3.47Å; I267-A289 HydrophobicContact CD1-CB 3.74Å; I267-V292 HydrophobicContact CD1-CG2 4.4Å
268Y97.9Very high95.9Very high56 Ų5633.2 Ų33.222%0.2218%0.178CC..Hα-helixtrans-59.5-49.5174.6177.3-115.5000110.9F175 N179 A264 A265 A270 S271 Q272F175-Y268 HydrophobicContact CB-CD2 4.43Å; N179-Y268 HydrophobicContact CB-CD1 3.63Å; N179-Y268 HydrophobicContact CB-CE1 4.17Å; N179-Y268 HydrophobicContact CB-CG 3.92Å; N179-Y268 VanDerWaalsContact ND2-CD1 3.32Å; N179-Y268 WeakPolarHBondContact ND2-CD1 2.94Å; N179-Y268 WeakPolarHBondContact ND2-CE1 3.47Å; A264-Y268 PolarHBondContact O-N 2.91Å; A265-Y268 PolarHBondContact O-N 3.06Å; Y268-A270 PolarHBondContact O-N 3.45Å; Y268-S271 WeakPolarHBondContact O-CB 3.39Å; Y268-S271 PolarHBondContact O-N 3.25Å; Y268-S271 VanDerWaalsContact O-N 3.15Å; Y268-S271 PolarHBondContact O-OG 2.85Å; Y268-Q272 HydrophobicContact CE1-CG 4.46Å; Y268-Q272 HydrophobicContact CE2-CG 4.22Å; Y268-Q272 WeakPolarHBondContact O-CG 3.16Å; Y268-Q272 PolarHBondContact O-N 2.86Å
269E96.5Very high95.7Very high134 Ų13434.4 Ų34.463%0.62618%0.183SC*.Hα-helixtrans-55.8-48.8176.2-176.7179.9-171.200112A265 K266 S271 Q272A265-E269 PolarHBondContact O-N 2.93Å; K266-E269 PolarHBondContact O-N 3.26Å; E269-S271 VanDerWaalsContact C-N 3.3Å; E269-S271 PolarHBondContact O-N 3.11Å; E269-Q272 PolarHBondContact O-N 2.94Å; E269-Q272 VanDerWaalsContact O-N 3.17Å
270A96.5Very high95.6Very high2 Ų235 Ų352%0.01719%0.186CC..Hα-helixtrans-58.2-43.3177.200000111.9K266 I267 Y268 Q272 T273 L274 C288 K291 V292K266-A270 WeakPolarHBondContact O-CB 3.32Å; K266-A270 PolarHBondContact O-N 3.4Å; I267-A270 PolarHBondContact O-N 2.93Å; Y268-A270 PolarHBondContact O-N 3.45Å; A270-Q272 PolarHBondContact O-N 3.24Å; A270-T273 PolarHBondContact O-N 3.49Å; A270-T273 PolarHBondContact O-OG1 3.3Å; A270-L274 PolarHBondContact O-N 3.06Å; A270-C288 HydrophobicContact CB-CB 3.94Å; A270-K291 HydrophobicContact CB-CB 4.4Å; A270-K291 HydrophobicContact CB-CD 4.23Å; A270-K291 HydrophobicContact CB-CG 4.5Å; A270-V292 HydrophobicContact CB-CG1 3.76Å
271S95.5Very high95.5Very high2 Ų235.4 Ų35.41%0.01419%0.188CC..Hα-helixtrans-61.4-29.5-179.279.70000113I267 Y268 E269 T273I267-S271 WeakPolarHBondContact O-CB 3.35Å; I267-S271 PolarHBondContact O-N 3.09Å; Y268-S271 WeakPolarHBondContact O-CB 3.39Å; Y268-S271 PolarHBondContact O-N 3.25Å; Y268-S271 VanDerWaalsContact O-N 3.15Å; Y268-S271 PolarHBondContact O-OG 2.85Å; E269-S271 VanDerWaalsContact C-N 3.3Å; E269-S271 PolarHBondContact O-N 3.11Å; S271-T273 PolarHBondContact O-N 2.9Å
272Q93.3Very high95.5Very high99 Ų9933.6 Ų33.646%0.46318%0.178SC..THydrogen-bonded Turntrans-72.4-15.4176.8-59-49.9-79.300112.9L63 Y268 E269 A270L63-Q272 VanDerWaalsContact CD1-O 3.32Å; L63-Q272 WeakPolarHBondContact CD1-O 3.21Å; Y268-Q272 HydrophobicContact CE1-CG 4.46Å; Y268-Q272 HydrophobicContact CE2-CG 4.22Å; Y268-Q272 WeakPolarHBondContact O-CG 3.16Å; Y268-Q272 PolarHBondContact O-N 2.86Å; E269-Q272 PolarHBondContact O-N 2.94Å; E269-Q272 VanDerWaalsContact O-N 3.17Å; A270-Q272 PolarHBondContact O-N 3.24Å
273T93.3Very high95.5Very high56 Ų5632.9 Ų32.934%0.34417%0.174SC..THydrogen-bonded Turntrans-107.8-8.5-176.968.60000113.4S62 L63 A270 S271 K291S62-T273 CarbonylContact C-O 3.54Å; S62-T273 VanDerWaalsContact CA-O 3.3Å; S62-T273 WeakPolarHBondContact CA-O 3.35Å; L63-T273 PolarHBondContact N-O 2.8Å; A270-T273 PolarHBondContact O-N 3.49Å; A270-T273 PolarHBondContact O-OG1 3.3Å; S271-T273 PolarHBondContact O-N 2.9Å; T273-K291 WeakPolarHBondContact OG1-CD 3.17Å; T273-K291 WeakPolarHBondContact OG1-CE 3.32Å
274L93Very high95.4Very high3 Ų332.9 Ų32.92%0.01617%0.174CC..BIsolated β-bridgetrans-105.4151.9-176.9-71.5175.1000111.5V57 L61 Q69 A270 S276 F284 L287 C288 K291V57-L274 HydrophobicContact CG1-CD1 4.49Å; V57-L274 HydrophobicContact CG1-CD2 4.08Å; L61-L274 HydrophobicContact CB-CD2 4.22Å; Q69-L274 PolarHBondContact NE2-O 3.31Å; A270-L274 PolarHBondContact O-N 3.06Å; L274-S276 PolarHBondContact O-N 2.79Å; L274-F284 HydrophobicContact CB-CE2 4Å; L274-F284 HydrophobicContact CB-CZ 4.17Å; L274-L287 HydrophobicContact CD1-CB 4.24Å; L274-C288 HydrophobicContact CD1-CB 4.48Å; L274-K291 HydrophobicContact CD1-CB 4.47Å; L274-K291 HydrophobicContact CD1-CD 4.16Å; L274-K291 HydrophobicContact CD2-CD 4.04Å; L274-K291 HydrophobicContact CG-CD 3.94Å
275N90.1Very high95.4Very high73 Ų7332.5 Ų32.539%0.3917%0.171SC..  trans-72.7109.4172.1-172.5-10.1000111.4L61 L63 S277L61-N275 PolarHBondContact O-N 2.84Å; L63-N275 HydrophobicContact CD2-CB 4.16Å; N275-S277 PolarHBondContact ND2-OG 2.93Å; N275-S277 PolarHBondContact O-N 3.45Å; N275-S277 VanDerWaalsContact O-N 3.09Å; N275-S277 VanDerWaalsContact OD1-CB 3.27Å; N275-S277 WeakPolarHBondContact OD1-CB 3.39Å; N275-S277 PolarHBondContact OD1-N 2.84Å; N275-S277 PolarHBondContact OD1-OG 3.35Å
276S89.3Confident95.4Very high8 Ų830.8 Ų30.86%0.05616%0.157CC..THydrogen-bonded Turntrans-72.513.6176.1660000115.3Q69 L274 M278Q69-S276 PolarHBondContact NE2-OG 3.46Å; Q69-S276 PolarHBondContact OE1-OG 3.07Å; L274-S276 PolarHBondContact O-N 2.79Å; S276-M278 PolarHBondContact O-N 3.32Å
277S89.5Confident95.3Very high67 Ų6728 Ų2847%0.46915%0.145SC..THydrogen-bonded Turntrans-65.9-21.6173.4-63.30000112.8M242 N275 Y279M242-S277 WeakPolarHBondContact CE-O 3.49Å; N275-S277 PolarHBondContact ND2-OG 2.93Å; N275-S277 PolarHBondContact O-N 3.45Å; N275-S277 VanDerWaalsContact O-N 3.09Å; N275-S277 VanDerWaalsContact OD1-CB 3.27Å; N275-S277 WeakPolarHBondContact OD1-CB 3.39Å; N275-S277 PolarHBondContact OD1-N 2.84Å; N275-S277 PolarHBondContact OD1-OG 3.35Å; S277-Y279 PolarHBondContact O-N 2.85Å
278M93.4Very high95.3Very high9 Ų928 Ų284%0.04415%0.145CC..  trans-68.2101.7173-177.457.9154.100108.8T168 V238 M242 Y248 S276 I280 V283 F284 L287T168-M278 WeakPolarHBondContact CB-O 3.33Å; T168-M278 PolarHBondContact OG1-O 3.42Å; V238-M278 HydrophobicContact CG1-SD 4.48Å; V238-M278 HydrophobicContact CG2-CE 4.3Å; V238-M278 HydrophobicContact CG2-SD 4.49Å; M242-M278 HydrophobicContact CG-SD 4.29Å; M242-M278 HydrophobicContact SD-SD 3.92Å; Y248-M278 HydrophobicContact CD1-CE 4.28Å; Y248-M278 HydrophobicContact CE1-CE 3.47Å; Y248-M278 VanDerWaalsContact CE1-CE 3.47Å; S276-M278 PolarHBondContact O-N 3.32Å; M278-I280 VanDerWaalsContact C-N 3.33Å; M278-I280 HydrophobicContact CE-CB 4.33Å; M278-I280 PolarHBondContact O-N 2.98Å; M278-V283 HydrophobicContact CE-CB 3.7Å; M278-V283 HydrophobicContact CE-CG1 3.23Å; M278-V283 HydrophobicContact CE-CG2 4.28Å; M278-V283 HydrophobicContact CG-CG1 4.49Å; M278-F284 HydrophobicContact CB-CD2 4.14Å; M278-F284 HydrophobicContact CG-CB 4.39Å; M278-L287 HydrophobicContact CB-CD1 4.48Å; M278-L287 HydrophobicContact CG-CD1 4.29Å
279Y94.3Very high95.3Very high26 Ų2625.4 Ų25.410%0.10214%0.135CC..  trans-80.8-13.4-172.460.3-101.2000114.3F164 H165 T168 Y237 M242 S277 D281F164-Y279 HydrophobicContact CD1-CE2 4.45Å; F164-Y279 HydrophobicContact CE1-CD2 4.15Å; F164-Y279 AromaticContact CE1-CE2 3.86Å; F164-Y279 HydrophobicContact CE1-CE2 3.86Å; H165-Y279 AromaticContact CD2-CD2 3.97Å; H165-Y279 AromaticContact CD2-CE2 3.89Å; H165-Y279 AromaticContact CD2-CZ 3.93Å; H165-Y279 WeakPolarHBondContact O-CB 3.35Å; T168-Y279 VanDerWaalsContact OG1-C 3.28Å; T168-Y279 WeakPolarHBondContact OG1-CA 3.4Å; T168-Y279 PolarHBondContact OG1-O 3.29Å; Y237-Y279 VanDerWaalsContact C-OH 3.25Å; Y237-Y279 PolarHBondContact O-OH 2.91Å; M242-Y279 HydrophobicContact CE-CD1 3.77Å; M242-Y279 HydrophobicContact CE-CE1 3.89Å; M242-Y279 HydrophobicContact SD-CD1 3.95Å; M242-Y279 HydrophobicContact SD-CE1 3.89Å; S277-Y279 PolarHBondContact O-N 2.85Å; Y279-D281 PolarHBondContact O-N 2.86Å
280I96.9Very high95.3Very high11 Ų1121.5 Ų21.56%0.05612%0.119CC..  trans-77101.1173.7-59.8-178.6000107.5V238 M278 D282 V283 F284V238-I280 HydrophobicContact CG2-CD1 3.4Å; V238-I280 VanDerWaalsContact CG2-CD1 3.4Å; V238-I280 HydrophobicContact CG2-CG1 4.37Å; M278-I280 VanDerWaalsContact C-N 3.33Å; M278-I280 HydrophobicContact CE-CB 4.33Å; M278-I280 PolarHBondContact O-N 2.98Å; I280-D282 WeakPolarHBondContact CG2-OD1 3.23Å; I280-D282 PolarHBondContact O-N 2.73Å; I280-V283 HydrophobicContact CB-CB 4.26Å; I280-V283 HydrophobicContact CB-CG2 4.3Å; I280-V283 HydrophobicContact CG2-CB 3.86Å; I280-V283 HydrophobicContact CG2-CG2 3.52Å; I280-V283 PolarHBondContact O-N 3.1Å; I280-F284 PolarHBondContact O-N 3.49Å
281D97Very high95.3Very high11 Ų1123.7 Ų23.76%0.05913%0.128CC..Hα-helixtrans-64-37.6-168.161-40.7000113.4K94 L167 F171 Y279 F284 M285K94-D281 IonicContact NZ-OD2 2.75Å; K94-D281 PolarHBondContact NZ-OD2 3.31Å; L167-D281 HydrophobicContact CB-CB 3.99Å; F171-D281 HydrophobicContact CB-CB 4.1Å; Y279-D281 PolarHBondContact O-N 2.86Å; D281-F284 PolarHBondContact O-N 3.24Å; D281-M285 WeakPolarHBondContact O-CB 3.34Å; D281-M285 PolarHBondContact O-N 3.49Å
282D97.7Very high95.4Very high19 Ų1925.7 Ų25.710%0.10214%0.14CC..Hα-helixtrans-71.7-37.4178.860.4-4.5000113.1Y251 T252 G254 I280 M285 G286Y251-D282 WeakPolarHBondContact CB-O 3.27Å; Y251-D282 HydrophobicContact CD2-CB 3.91Å; Y251-D282 HydrophobicContact CE2-CB 4.26Å; T252-D282 WeakPolarHBondContact O-CB 3.39Å; G254-D282 PolarHBondContact N-OD2 3.02Å; I280-D282 WeakPolarHBondContact CG2-OD1 3.23Å; I280-D282 PolarHBondContact O-N 2.73Å; D282-M285 WeakPolarHBondContact O-CB 3.49Å; D282-M285 PolarHBondContact O-N 2.87Å; D282-G286 PolarHBondContact O-N 3.47Å
283V97.8Very high95.5Very high2 Ų224 Ų241%0.01215%0.149CC..Hα-helixtrans-66.2-40.5168.7178.70000110.8Y248 Y251 M278 I280 M285 G286 L287Y248-V283 HydrophobicContact CD1-CG1 3.45Å; Y248-V283 VanDerWaalsContact CD1-CG1 3.45Å; Y248-V283 HydrophobicContact CD2-CG1 4.01Å; Y248-V283 HydrophobicContact CD2-CG2 3.73Å; Y248-V283 HydrophobicContact CE1-CG1 3.77Å; Y248-V283 HydrophobicContact CE2-CG1 4.26Å; Y248-V283 HydrophobicContact CE2-CG2 3.78Å; Y248-V283 HydrophobicContact CG-CG1 3.59Å; Y248-V283 HydrophobicContact CG-CG2 4.16Å; Y251-V283 HydrophobicContact CD1-CG2 4.3Å; Y251-V283 HydrophobicContact CD2-CG2 4.34Å; Y251-V283 HydrophobicContact CE1-CG2 3.91Å; Y251-V283 HydrophobicContact CE2-CG2 3.94Å; M278-V283 HydrophobicContact CE-CB 3.7Å; M278-V283 HydrophobicContact CE-CG1 3.23Å; M278-V283 HydrophobicContact CE-CG2 4.28Å; M278-V283 HydrophobicContact CG-CG1 4.49Å; I280-V283 HydrophobicContact CB-CB 4.26Å; I280-V283 HydrophobicContact CB-CG2 4.3Å; I280-V283 HydrophobicContact CG2-CB 3.86Å; I280-V283 HydrophobicContact CG2-CG2 3.52Å; I280-V283 PolarHBondContact O-N 3.1Å; V283-M285 VanDerWaalsContact C-N 3.31Å; V283-M285 PolarHBondContact O-N 3.49Å; V283-G286 WeakPolarHBondContact O-CA 3.49Å; V283-G286 PolarHBondContact O-N 2.81Å; V283-G286 VanDerWaalsContact O-N 3.09Å; V283-L287 WeakPolarHBondContact O-CG 2.97Å; V283-L287 PolarHBondContact O-N 3.11Å
284F97.7Very high95.8Very high1 Ų121.6 Ų21.60%0.00413%0.134CC..Hα-helixtrans-62.8-38.1175.9-172.6-107.4000112.2T168 F171 L172 L274 M278 I280 D281 G286 L287 C288T168-F284 HydrophobicContact CG2-CB 4.31Å; T168-F284 HydrophobicContact CG2-CD1 3.61Å; T168-F284 HydrophobicContact CG2-CD2 4.42Å; T168-F284 HydrophobicContact CG2-CE1 3.97Å; T168-F284 HydrophobicContact CG2-CG 3.86Å; F171-F284 AromaticContact CD1-CD1 3.74Å; F171-F284 HydrophobicContact CD1-CD1 3.74Å; F171-F284 HydrophobicContact CD1-CE1 4.02Å; F171-F284 AromaticContact CE1-CD1 3.64Å; F171-F284 HydrophobicContact CE1-CD1 3.64Å; F171-F284 AromaticContact CE1-CE1 3.78Å; F171-F284 HydrophobicContact CE1-CE1 3.78Å; F171-F284 HydrophobicContact CZ-CD1 4.44Å; L172-F284 HydrophobicContact CD2-CE1 4.05Å; L274-F284 HydrophobicContact CB-CE2 4Å; L274-F284 HydrophobicContact CB-CZ 4.17Å; M278-F284 HydrophobicContact CB-CD2 4.14Å; M278-F284 HydrophobicContact CG-CB 4.39Å; I280-F284 PolarHBondContact O-N 3.49Å; D281-F284 PolarHBondContact O-N 3.24Å; F284-G286 VanDerWaalsContact C-N 3.34Å; F284-G286 PolarHBondContact O-N 2.75Å; F284-L287 HydrophobicContact CD2-CD1 4.4Å; F284-L287 WeakPolarHBondContact O-CB 3.33Å; F284-L287 PolarHBondContact O-N 2.82Å; F284-C288 PolarHBondContact O-N 3.32Å; F284-C288 PolarHBondContact O-SG 2.83Å
285M98.2Very high96Very high0 Ų026 Ų260%016%0.161CC..Hα-helixtrans-56.9-45.9168.9173.861.1-17300111.4F171 F175 W218 Y257 V259 I267 D281 D282 V283 L287 C288 A289F171-M285 HydrophobicContact CE2-CB 3.73Å; F171-M285 HydrophobicContact CE2-CG 4.19Å; F171-M285 HydrophobicContact CE2-SD 3.73Å; F171-M285 HydrophobicContact CZ-CB 4.2Å; F171-M285 HydrophobicContact CZ-SD 3.96Å; F175-M285 HydrophobicContact CZ-CE 4.48Å; F175-M285 HydrophobicContact CZ-SD 3.98Å; W218-M285 HydrophobicContact CD2-CE 3.74Å; W218-M285 HydrophobicContact CE3-CE 4.25Å; W218-M285 HydrophobicContact CG-CE 4.12Å; W218-M285 HydrophobicContact CH2-CE 4.33Å; W218-M285 HydrophobicContact CH2-CG 4.03Å; W218-M285 HydrophobicContact CZ2-CE 3.83Å; W218-M285 HydrophobicContact CZ2-CG 3.54Å; Y257-M285 HydrophobicContact CE1-CG 4.46Å; Y257-M285 HydrophobicContact CE2-CE 4.26Å; Y257-M285 HydrophobicContact CE2-SD 4.49Å; V259-M285 HydrophobicContact CG1-CE 3.81Å; I267-M285 HydrophobicContact CB-SD 4.47Å; I267-M285 HydrophobicContact CD1-CE 3.78Å; I267-M285 HydrophobicContact CD1-SD 3.8Å; I267-M285 HydrophobicContact CG1-CE 3.83Å; I267-M285 HydrophobicContact CG1-SD 3.97Å; I267-M285 HydrophobicContact CG2-SD 3.7Å; D281-M285 WeakPolarHBondContact O-CB 3.34Å; D281-M285 PolarHBondContact O-N 3.49Å; D282-M285 WeakPolarHBondContact O-CB 3.49Å; D282-M285 PolarHBondContact O-N 2.87Å; V283-M285 VanDerWaalsContact C-N 3.31Å; V283-M285 PolarHBondContact O-N 3.49Å; M285-L287 PolarHBondContact O-N 3.06Å; M285-C288 PolarHBondContact O-N 3.19Å; M285-A289 WeakPolarHBondContact O-CB 3.04Å; M285-A289 PolarHBondContact O-N 2.97Å
286G98Very high96.4Very high2 Ų223.2 Ų23.22%0.02115%0.147CC..Hα-helixtrans-61.3-37.8174.700000114.4D282 V283 F284 N290D282-G286 PolarHBondContact O-N 3.47Å; V283-G286 WeakPolarHBondContact O-CA 3.49Å; V283-G286 PolarHBondContact O-N 2.81Å; V283-G286 VanDerWaalsContact O-N 3.09Å; F284-G286 VanDerWaalsContact C-N 3.34Å; F284-G286 PolarHBondContact O-N 2.75Å; G286-N290 VanDerWaalsContact O-CB 3.24Å; G286-N290 WeakPolarHBondContact O-CB 3.38Å; G286-N290 PolarHBondContact O-N 3.03Å
287L97.8Very high96.8Very high7 Ų727.5 Ų27.54%0.03717%0.166CC..Hα-helixtrans-65.1-45.3173.6-64.1171.4000111.4V57 L61 Y243 P249 L274 M278 V283 F284 M285 N290 K291V57-L287 HydrophobicContact CG2-CD2 3.69Å; L61-L287 HydrophobicContact CD1-CD1 4.09Å; L61-L287 HydrophobicContact CD1-CD2 3.83Å; Y243-L287 HydrophobicContact CE2-CD2 4.17Å; P249-L287 HydrophobicContact CG-CD2 4Å; L274-L287 HydrophobicContact CD1-CB 4.24Å; M278-L287 HydrophobicContact CB-CD1 4.48Å; M278-L287 HydrophobicContact CG-CD1 4.29Å; V283-L287 WeakPolarHBondContact O-CG 2.97Å; V283-L287 PolarHBondContact O-N 3.11Å; F284-L287 HydrophobicContact CD2-CD1 4.4Å; F284-L287 WeakPolarHBondContact O-CB 3.33Å; F284-L287 PolarHBondContact O-N 2.82Å; M285-L287 PolarHBondContact O-N 3.06Å; L287-N290 PolarHBondContact O-N 3.05Å; L287-K291 PolarHBondContact O-N 3.04Å; L287-K291 VanDerWaalsContact O-N 3.07Å
288C98Very high97.1Very high0 Ų026 Ų260%015%0.152CC..Hα-helixtrans-59.9-48.2175.8-66.60000111I267 A270 L274 F284 M285 K291 V292I267-C288 HydrophobicContact CD1-CB 3.82Å; I267-C288 HydrophobicContact CG2-CB 4.05Å; A270-C288 HydrophobicContact CB-CB 3.94Å; L274-C288 HydrophobicContact CD1-CB 4.48Å; F284-C288 PolarHBondContact O-N 3.32Å; F284-C288 PolarHBondContact O-SG 2.83Å; M285-C288 PolarHBondContact O-N 3.19Å; C288-K291 WeakPolarHBondContact O-CB 3.39Å; C288-K291 PolarHBondContact O-N 3.12Å; C288-V292 WeakPolarHBondContact O-CG2 3.29Å; C288-V292 PolarHBondContact O-N 2.78Å
289A98.1Very high97.3Very high1 Ų126.7 Ų26.71%0.00816%0.156CC..Hα-helixtrans-63-43.6-179.800000112.3W218 I267 M285 K291 V292 G293 V294W218-A289 HydrophobicContact CE3-CB 3.73Å; W218-A289 HydrophobicContact CH2-CB 3.94Å; W218-A289 HydrophobicContact CZ3-CB 3.2Å; I267-A289 VanDerWaalsContact CD1-CA 3.47Å; I267-A289 HydrophobicContact CD1-CB 3.74Å; M285-A289 WeakPolarHBondContact O-CB 3.04Å; M285-A289 PolarHBondContact O-N 2.97Å; A289-K291 VanDerWaalsContact C-N 3.3Å; A289-K291 PolarHBondContact O-N 3.41Å; A289-V292 CarbonylContact O-C 3.52Å; A289-V292 WeakPolarHBondContact O-CG2 3.43Å; A289-V292 PolarHBondContact O-N 2.94Å; A289-V292 VanDerWaalsContact O-N 3.16Å; A289-G293 PolarHBondContact O-N 3.41Å; A289-V294 CarbonylContact C-O 3.55Å; A289-V294 HydrophobicContact CB-CB 4.28Å; A289-V294 PolarHBondContact O-N 3.07Å
290N97Very high97.4Very high52 Ų5226.7 Ų26.728%0.27816%0.159SC..Hα-helixtrans-59.1-41.7175.6178.4-104.2000111.9V57 P249 G286 L287 V292 G293V57-N290 WeakPolarHBondContact CG2-OD1 3.37Å; P249-N290 HydrophobicContact CB-CB 3.91Å; P249-N290 HydrophobicContact CG-CB 4.02Å; G286-N290 VanDerWaalsContact O-CB 3.24Å; G286-N290 WeakPolarHBondContact O-CB 3.38Å; G286-N290 PolarHBondContact O-N 3.03Å; L287-N290 PolarHBondContact O-N 3.05Å; N290-V292 PolarHBondContact O-N 3.17Å; N290-G293 PolarHBondContact O-N 2.72Å
291K96.4Very high97.4Very high49 Ų4927.2 Ų27.221%0.21316%0.16CC..Hα-helixtrans-58.6-35.7177.4-179170.3-16292.70112.9V57 N58 S62 A270 T273 L274 L287 C288 A289V57-K291 HydrophobicContact CG1-CB 4.19Å; N58-K291 WeakPolarHBondContact OD1-CG 3.33Å; N58-K291 PolarHBondContact OD1-NZ 3.11Å; S62-K291 PolarHBondContact OG-NZ 3Å; A270-K291 HydrophobicContact CB-CB 4.4Å; A270-K291 HydrophobicContact CB-CD 4.23Å; A270-K291 HydrophobicContact CB-CG 4.5Å; T273-K291 WeakPolarHBondContact OG1-CD 3.17Å; T273-K291 WeakPolarHBondContact OG1-CE 3.32Å; L274-K291 HydrophobicContact CD1-CB 4.47Å; L274-K291 HydrophobicContact CD1-CD 4.16Å; L274-K291 HydrophobicContact CD2-CD 4.04Å; L274-K291 HydrophobicContact CG-CD 3.94Å; L287-K291 PolarHBondContact O-N 3.04Å; L287-K291 VanDerWaalsContact O-N 3.07Å; C288-K291 WeakPolarHBondContact O-CB 3.39Å; C288-K291 PolarHBondContact O-N 3.12Å; A289-K291 VanDerWaalsContact C-N 3.3Å; A289-K291 PolarHBondContact O-N 3.41Å
292V96.6Very high97.4Very high43 Ų4326.8 Ų26.826%0.26116%0.158SC..THydrogen-bonded Turntrans-101.99.8-177.8-62.30000113.7K266 I267 A270 C288 A289 N290 V294K266-V292 HydrophobicContact CB-CB 4.15Å; K266-V292 HydrophobicContact CB-CG1 4.26Å; K266-V292 HydrophobicContact CB-CG2 3.95Å; I267-V292 HydrophobicContact CD1-CG2 4.4Å; A270-V292 HydrophobicContact CB-CG1 3.76Å; C288-V292 WeakPolarHBondContact O-CG2 3.29Å; C288-V292 PolarHBondContact O-N 2.78Å; A289-V292 CarbonylContact O-C 3.52Å; A289-V292 WeakPolarHBondContact O-CG2 3.43Å; A289-V292 PolarHBondContact O-N 2.94Å; A289-V292 VanDerWaalsContact O-N 3.16Å; N290-V292 PolarHBondContact O-N 3.17Å; V292-V294 VanDerWaalsContact C-N 3.29Å; V292-V294 HydrophobicContact CG2-CB 4.29Å; V292-V294 HydrophobicContact CG2-CG2 3.89Å; V292-V294 PolarHBondContact O-N 2.92Å
293G96.5Very high97.3Very high63 Ų6325.9 Ų25.965%0.64915%0.153SC*.THydrogen-bonded Turntrans70.318.9176.900000115.1A289 N290A289-G293 PolarHBondContact O-N 3.41Å; N290-G293 PolarHBondContact O-N 2.72Å
294V98Very high97.2Very high7 Ų726 Ų264%0.04215%0.154CC..  trans-89133.5175.6176.20000109.4W218 V263 K266 A289 V292W218-V294 HydrophobicContact CB-CG1 4.1Å; W218-V294 HydrophobicContact CE3-CG1 4.17Å; V263-V294 HydrophobicContact CG1-CG1 3.99Å; V263-V294 HydrophobicContact CG1-CG2 4.5Å; V263-V294 HydrophobicContact CG2-CG1 4Å; V263-V294 HydrophobicContact CG2-CG2 4.07Å; K266-V294 HydrophobicContact CD-CG2 4.27Å; A289-V294 CarbonylContact C-O 3.55Å; A289-V294 HydrophobicContact CB-CB 4.28Å; A289-V294 PolarHBondContact O-N 3.07Å; V292-V294 VanDerWaalsContact C-N 3.29Å; V292-V294 HydrophobicContact CG2-CB 4.29Å; V292-V294 HydrophobicContact CG2-CG2 3.89Å; V292-V294 PolarHBondContact O-N 2.92Å
295V97.3Very high96.9Very high96 Ų9629.1 Ų29.158%0.58217%0.169SC*.  trans-114.2131.1-177-179.60000109.7
296P98.1Very high96.6Very high14 Ų1429.6 Ų29.69%0.09117%0.174CC..  trans-72.1143.5178.929-32.4000111.7W218 V222 D250 T252W218-P296 HydrophobicContact CD2-CB 3.68Å; W218-P296 HydrophobicContact CE3-CB 3.48Å; W218-P296 VanDerWaalsContact CE3-CB 3.48Å; W218-P296 HydrophobicContact CE3-CG 4.03Å; W218-P296 HydrophobicContact CG-CB 4.4Å; W218-P296 HydrophobicContact CH2-CB 3.92Å; W218-P296 HydrophobicContact CH2-CG 4.06Å; W218-P296 HydrophobicContact CZ2-CB 4.1Å; W218-P296 HydrophobicContact CZ3-CB 3.59Å; W218-P296 VanDerWaalsContact CZ3-CD 3.47Å; W218-P296 HydrophobicContact CZ3-CG 3.69Å; V222-P296 HydrophobicContact CG1-CB 4.28Å; V222-P296 HydrophobicContact CG1-CG 3.9Å; V222-P296 HydrophobicContact CG2-CB 3.88Å; V222-P296 HydrophobicContact CG2-CG 4.4Å; D250-P296 HydrophobicContact CB-CG 3.82Å; T252-P296 HydrophobicContact CG2-CB 3.88Å
297Q97.9Very high96.5Very high98 Ų9833.1 Ų33.146%0.45819%0.189SC..EExtended strand (participates in β ladder)trans-111.4130178.5-60.8179.147.500110.5W218 I219 G220 H299W218-Q297 PolarHBondContact O-N 3.18Å; I219-Q297 WeakPolarHBondContact CA-O 3.38Å; I219-Q297 HydrophobicContact CG2-CB 3.98Å; G220-Q297 PolarHBondContact N-O 2.85Å; Q297-H299 PolarHBondContact O-N 2.95Å
298D96.5Very high96.3Very high34 Ų3433 Ų3318%0.18219%0.188CC..EExtended strand (participates in β ladder)trans-78.9113.6-177.9-162.381000111.1G220 V222 R373G220-D298 WeakPolarHBondContact O-CA 3.45Å; V222-D298 HydrophobicContact CB-CB 4.14Å; V222-D298 HydrophobicContact CG2-CB 3.89Å; V222-D298 PolarHBondContact N-OD1 3.01Å; D298-R373 PolarHBondContact O-NH2 3.46Å; D298-R373 IonicContact OD2-CZ 3.46Å; D298-R373 IonicContact OD2-NE 3.86Å; D298-R373 IonicContact OD2-NH2 2.56Å; D298-R373 PolarHBondContact OD2-NH2 2.84Å
299H97.3Very high96Very high24 Ų2433.7 Ų33.711%0.11119%0.193CC..  trans-97.6122.7176.5-168.8-76.3000110.6Y205 I219 G220 Q297 F301 F302 I319Y205-H299 AromaticContact CE2-NE2 3.54Å; Y205-H299 AromaticContact CZ-CD2 3.61Å; Y205-H299 AromaticContact CZ-NE2 3.57Å; Y205-H299 PolarHBondContact OH-CD2 3.37Å; I219-H299 HydrophobicContact CB-CB 4.23Å; I219-H299 HydrophobicContact CD1-CB 4.45Å; G220-H299 PolarHBondContact O-N 2.89Å; Q297-H299 PolarHBondContact O-N 2.95Å; H299-F301 AromaticContact CE1-CD2 3.87Å; H299-F301 PolarHBondContact ND1-N 2.73Å; H299-F301 PolarHBondContact O-N 3.35Å; H299-F302 HydrophobicContact CB-CD2 3.59Å; H299-F302 HydrophobicContact CB-CE2 4.17Å; H299-F302 HydrophobicContact CB-CG 4.33Å; H299-F302 AromaticContact CG-CD2 3.69Å; H299-F302 AromaticContact ND1-CD2 3.55Å; H299-F302 PolarHBondContact O-N 2.98Å; H299-I319 WeakPolarHBondContact CE1-CD1 3.24Å
300V96Very high95.9Very high27 Ų2738.9 Ų38.916%0.16421%0.213CC..THydrogen-bonded Turntrans-60.3-23-170.5-63.40000114.9Y370 P371 R373 A374 A377V300-Y370 WeakPolarHBondContact O-CD1 3.5Å; V300-P371 HydrophobicContact CB-CG 4.47Å; V300-P371 HydrophobicContact CG1-CG 4.42Å; V300-R373 HydrophobicContact CG1-CG 3.76Å; V300-A374 HydrophobicContact CB-CB 4Å; V300-A374 HydrophobicContact CG2-CB 4.48Å; V300-A377 HydrophobicContact CG2-CB 4.21Å
301F97.4Very high95.8Very high22 Ų2238.2 Ų38.210%0.09621%0.208CC..THydrogen-bonded Turntrans-104.714.7179.8-57.2-58.4000114.2H299 K317 I319 T320 Y370 A374 A377H299-F301 AromaticContact CE1-CD2 3.87Å; H299-F301 PolarHBondContact ND1-N 2.73Å; H299-F301 PolarHBondContact O-N 3.35Å; F301-K317 HydrophobicContact CD1-CB 4.32Å; F301-K317 WeakPolarHBondContact CD1-O 3.4Å; F301-K317 HydrophobicContact CD2-CB 4.33Å; F301-K317 WeakPolarHBondContact CD2-O 3.28Å; F301-K317 HydrophobicContact CE1-CB 3.73Å; F301-K317 HydrophobicContact CE2-CB 3.75Å; F301-K317 WeakPolarHBondContact CG-O 3.49Å; F301-K317 HydrophobicContact CZ-CB 3.42Å; F301-K317 VanDerWaalsContact CZ-CB 3.42Å; F301-K317 HydrophobicContact CZ-CG 4.21Å; F301-I319 HydrophobicContact CB-CB 4.15Å; F301-I319 HydrophobicContact CB-CD1 4.4Å; F301-I319 HydrophobicContact CB-CG1 3.93Å; F301-I319 WeakPolarHBondContact O-CB 3.46Å; F301-I319 PolarHBondContact O-N 3.34Å; F301-T320 PolarHBondContact O-N 3.15Å; F301-Y370 HydrophobicContact CB-CE1 4.45Å; F301-Y370 HydrophobicContact CD1-CD2 4.1Å; F301-Y370 AromaticContact CD1-CE2 3.91Å; F301-Y370 HydrophobicContact CD1-CE2 3.91Å; F301-Y370 VanDerWaalsContact O-CE1 3.25Å; F301-Y370 WeakPolarHBondContact O-CE1 3.48Å; F301-Y370 PolarHBondContact O-OH 2.88Å; F301-Y370 VanDerWaalsContact O-OH 3.13Å; F301-A374 HydrophobicContact CD1-CB 4.38Å; F301-A374 HydrophobicContact CE1-CB 3.94Å; F301-A377 HydrophobicContact CE2-CB 4.08Å; F301-A377 HydrophobicContact CZ-CB 3.75Å
302F97.7Very high95.8Very high1 Ų138.1 Ų38.10%0.00421%0.212CC..  trans-94.3119.7163.9-83.2-112.4000109.1M189 I219 H221 A256 V258 H299 G304 I319 T320M189-F302 HydrophobicContact CE-CE1 4.46Å; I219-F302 HydrophobicContact CD1-CE2 3.71Å; I219-F302 HydrophobicContact CD1-CZ 3.9Å; I219-F302 HydrophobicContact CG1-CE2 4.39Å; I219-F302 HydrophobicContact CG1-CZ 4.27Å; H221-F302 HydrophobicContact CB-CB 4.48Å; A256-F302 HydrophobicContact CB-CD1 4.42Å; A256-F302 HydrophobicContact CB-CE1 4.41Å; A256-F302 WeakPolarHBondContact O-CD1 3.37Å; V258-F302 HydrophobicContact CG2-CE1 4.29Å; V258-F302 HydrophobicContact CG2-CZ 3.82Å; H299-F302 HydrophobicContact CB-CD2 3.59Å; H299-F302 HydrophobicContact CB-CE2 4.17Å; H299-F302 HydrophobicContact CB-CG 4.33Å; H299-F302 AromaticContact CG-CD2 3.69Å; H299-F302 AromaticContact ND1-CD2 3.55Å; H299-F302 PolarHBondContact O-N 2.98Å; F302-G304 PolarHBondContact O-N 3.24Å; F302-I319 HydrophobicContact CD2-CG2 4.43Å; F302-I319 HydrophobicContact CE2-CB 4.35Å; F302-I319 HydrophobicContact CE2-CD1 4.23Å; F302-I319 HydrophobicContact CE2-CG2 3.84Å; F302-I319 HydrophobicContact CZ-CG2 4.15Å; F302-T320 WeakPolarHBondContact CA-OG1 3.33Å; F302-T320 HydrophobicContact CD1-CG2 3.99Å; F302-T320 HydrophobicContact CE1-CG2 4.02Å; F302-T320 HydrophobicContact CG-CG2 4.42Å; F302-T320 HydrophobicContact CZ-CG2 4.47Å
303S96.1Very high95.8Very high0 Ų036.1 Ų36.10%020%0.2CC..  trans-80.2-10.7-167.564.60000115.3E305 G306 T320 S321 H322 S369S303-E305 PolarHBondContact O-N 3.29Å; S303-G306 VanDerWaalsContact CB-O 3.28Å; S303-G306 WeakPolarHBondContact CB-O 3.15Å; S303-G306 PolarHBondContact O-N 3.41Å; S303-G306 PolarHBondContact OG-O 3.38Å; S303-T320 VanDerWaalsContact CB-O 3.32Å; S303-T320 WeakPolarHBondContact CB-O 3.4Å; S303-T320 PolarHBondContact N-OG1 3.32Å; S303-T320 PolarHBondContact OG-O 3.15Å; S303-T320 PolarHBondContact OG-OG1 2.74Å; S303-S321 VanDerWaalsContact OG-CA 3.26Å; S303-S321 WeakPolarHBondContact OG-CA 3.4Å; S303-H322 PolarHBondContact OG-N 3.25Å; S303-S369 VanDerWaalsContact O-CA 3.29Å; S303-S369 WeakPolarHBondContact O-CA 3.4Å
304G94.5Very high95.7Very high4 Ų433.3 Ų33.34%0.04117%0.17CC..THydrogen-bonded Turntrans53.6-134.7-169.200000111.1A255 F302 G306 H322A255-G304 WeakPolarHBondContact CB-O 3.38Å; F302-G304 PolarHBondContact O-N 3.24Å; G304-G306 VanDerWaalsContact C-N 3.28Å; G304-G306 PolarHBondContact O-N 3.17Å; G304-H322 PolarHBondContact O-CD2 3.23Å
305E92Very high95.7Very high67 Ų6733.2 Ų33.231%0.31317%0.169SC..THydrogen-bonded Turntrans-81.2-0.5-177.5-52.876-168.100114.2H223 A253 S303 N368H223-E305 IonicContact CD2-OE1 2.74Å; H223-E305 IonicContact CE1-OE1 2.8Å; H223-E305 PolarHBondContact CE1-OE1 2.61Å; H223-E305 IonicContact CE1-OE2 3.76Å; H223-E305 IonicContact NE2-OE1 3.97Å; H223-E305 PolarHBondContact NE2-OE1 2.88Å; H223-E305 IonicContact NE2-OE2 3.57Å; A253-E305 WeakPolarHBondContact CB-OE1 3.34Å; S303-E305 PolarHBondContact O-N 3.29Å; E305-N368 PolarHBondContact OE2-ND2 3.12Å
306G92.2Very high95.5Very high10 Ų1030.1 Ų30.110%0.10315%0.148CC..PPolyproline II helixtrans-98.5140.3-172.700000114.4S303 G304 H322 N368S303-G306 VanDerWaalsContact CB-O 3.28Å; S303-G306 WeakPolarHBondContact CB-O 3.15Å; S303-G306 PolarHBondContact O-N 3.41Å; S303-G306 PolarHBondContact OG-O 3.38Å; G304-G306 VanDerWaalsContact C-N 3.28Å; G304-G306 PolarHBondContact O-N 3.17Å; G306-H322 WeakPolarHBondContact O-CB 3.38Å; G306-H322 PolarHBondContact O-N 3.24Å; G306-N368 WeakPolarHBondContact CA-O 3.32Å; G306-N368 PolarHBondContact N-O 3.23Å
307K94.1Very high95.3Very high77 Ų7733.7 Ų33.734%0.33516%0.162SC..PPolyproline II helixtrans-77133.4168.6-165.9159-157.9176.40110.9Y310 H322 G323 H324 D327K307-Y310 WeakPolarHBondContact CE-OH 3.36Å; K307-Y310 PolarHBondContact NZ-OH 3.19Å; K307-H322 WeakPolarHBondContact CA-O 3.32Å; K307-H322 WeakPolarHBondContact CB-O 3.29Å; K307-H322 WeakPolarHBondContact CG-O 3.34Å; K307-G323 WeakPolarHBondContact CE-O 3.42Å; K307-G323 PolarHBondContact NZ-O 3.23Å; K307-H324 WeakPolarHBondContact CE-CE1 3.36Å; K307-H324 VanDerWaalsContact CE-ND1 3.29Å; K307-H324 WeakPolarHBondContact CE-ND1 3.04Å; K307-D327 IonicContact NZ-OD1 2.58Å; K307-D327 PolarHBondContact NZ-OD1 3.43Å; K307-D327 VanDerWaalsContact NZ-OD1 3.09Å; K307-D327 IonicContact NZ-OD2 3.87Å; K307-D327 PolarHBondContact NZ-OD2 3.36Å
308I93.6Very high95.2Very high3 Ų329 Ų292%0.01514%0.141CC..PPolyproline II helixtrans-75.8151.3176.966.1101.8000111.4I314 Y315 M318 S321 Y370I308-I314 HydrophobicContact CB-CG2 4.26Å; I308-I314 HydrophobicContact CD1-CG2 3.78Å; I308-I314 HydrophobicContact CG1-CG2 4.48Å; I308-Y315 HydrophobicContact CD1-CD1 4.04Å; I308-Y315 HydrophobicContact CD1-CE1 3.85Å; I308-M318 HydrophobicContact CD1-SD 3.8Å; I308-M318 HydrophobicContact CG1-SD 4.29Å; I308-S321 VanDerWaalsContact CG1-CB 3.44Å; I308-S321 WeakPolarHBondContact CG1-OG 3.44Å; I308-S321 PolarHBondContact N-OG 2.88Å; I308-Y370 HydrophobicContact CG2-CD1 4.31Å; I308-Y370 HydrophobicContact CG2-CD2 4.11Å; I308-Y370 HydrophobicContact CG2-CE1 3.84Å; I308-Y370 HydrophobicContact CG2-CE2 3.66Å; I308-Y370 HydrophobicContact CG2-CG 4.42Å
309P93.2Very high95.3Very high15 Ų1527.6 Ų27.610%0.09713%0.133CC..PPolyproline II helixtrans-68.8131.7172.1-18.433.3000111.9H311 L360 L361P309-H311 PolarHBondContact O-N 2.87Å; P309-H311 VanDerWaalsContact O-N 3.07Å; P309-L360 HydrophobicContact CB-CB 4.39Å; P309-L360 HydrophobicContact CB-CD1 4.14Å; P309-L360 HydrophobicContact CB-CD2 4.17Å; P309-L360 HydrophobicContact CB-CG 4.48Å; P309-L360 HydrophobicContact CG-CB 4.18Å; P309-L361 HydrophobicContact CG-CD2 4.4Å
310Y94.7Very high95.4Very high111 Ų11126.6 Ų26.644%0.43513%0.128SC..  trans-67.1103.3175.8-61.8-87.9000111.2K307 Y315 D327 L331K307-Y310 WeakPolarHBondContact CE-OH 3.36Å; K307-Y310 PolarHBondContact NZ-OH 3.19Å; Y310-Y315 VanDerWaalsContact CA-OH 3.3Å; Y310-Y315 WeakPolarHBondContact CA-OH 3.23Å; Y310-Y315 VanDerWaalsContact CB-OH 3.27Å; Y310-Y315 WeakPolarHBondContact CB-OH 3.26Å; Y310-Y315 VanDerWaalsContact CD1-OH 3.29Å; Y310-Y315 WeakPolarHBondContact CD1-OH 3.24Å; Y310-D327 WeakPolarHBondContact CE1-OD2 3.46Å; Y310-D327 PolarHBondContact OH-OD2 3.41Å; Y310-L331 HydrophobicContact CD1-CD1 4.13Å; Y310-L331 HydrophobicContact CE1-CD1 4.19Å
311H96.2Very high95.4Very high38 Ų3825.3 Ų25.318%0.17612%0.121CC..  trans-163137.2174.7-164.8-79.3000110.4P309 C313 I314 Y315 Y352 L360P309-H311 PolarHBondContact O-N 2.87Å; P309-H311 VanDerWaalsContact O-N 3.07Å; H311-C313 VanDerWaalsContact C-N 3.32Å; H311-C313 VanDerWaalsContact CE1-SG 3.6Å; H311-C313 WeakPolarHBondContact ND1-CB 3.29Å; H311-C313 PolarHBondContact ND1-N 3.09Å; H311-C313 VanDerWaalsContact ND1-N 3.16Å; H311-C313 PolarHBondContact O-N 2.94Å; H311-I314 HydrophobicContact CB-CG1 4.15Å; H311-I314 WeakPolarHBondContact O-CA 3.49Å; H311-I314 WeakPolarHBondContact O-CB 3.44Å; H311-I314 PolarHBondContact O-N 3.43Å; H311-Y315 WeakPolarHBondContact O-CD1 3.21Å; H311-Y315 PolarHBondContact O-N 2.83Å; H311-Y315 VanDerWaalsContact O-N 3.11Å; H311-Y352 PolarHBondContact CE1-OH 2.94Å; H311-Y352 PolarHBondContact NE2-OH 3.09Å; H311-L360 HydrophobicContact CB-CD1 3.81Å
312P96.1Very high95.4Very high47 Ų4726 Ų2631%0.30512%0.124SC..Hα-helixtrans-56.3-38.7-179.5-27.434.5000114.7I314 Y315 E316 V340 I343P312-I314 PolarHBondContact O-N 3.33Å; P312-I314 VanDerWaalsContact O-N 3.13Å; P312-Y315 HydrophobicContact CB-CD2 4.47Å; P312-Y315 PolarHBondContact O-N 3.42Å; P312-E316 PolarHBondContact O-N 3.24Å; P312-V340 HydrophobicContact CB-CG2 4.31Å; P312-I343 HydrophobicContact CB-CD1 3.7Å; P312-I343 HydrophobicContact CB-CG2 4.36Å; P312-I343 HydrophobicContact CG-CD1 4.26Å
313C95.7Very high95.3Very high0 Ų027.3 Ų27.30%014%0.137CC..Hα-helixtrans-60.6-18172.5-63.60000115.3H311 Y352 C353 I356H311-C313 VanDerWaalsContact C-N 3.32Å; H311-C313 VanDerWaalsContact CE1-SG 3.6Å; H311-C313 WeakPolarHBondContact ND1-CB 3.29Å; H311-C313 PolarHBondContact ND1-N 3.09Å; H311-C313 VanDerWaalsContact ND1-N 3.16Å; H311-C313 PolarHBondContact O-N 2.94Å; C313-Y352 WeakPolarHBondContact SG-CE1 3.43Å; C313-C353 HydrophobicContact CB-CB 3.56Å; C313-C353 WeakPolarHBondContact CB-SG 3.32Å; C313-C353 WeakPolarHBondContact SG-CA 3.48Å; C313-C353 WeakPolarHBondContact SG-CB 3.4Å; C313-C353 CovalentContact SG-SG 2.05Å; C313-C353 PolarHBondContact SG-SG 3.43Å; C313-I356 HydrophobicContact CB-CG2 4.28Å
314I96Very high95.3Very high5 Ų527.4 Ų27.43%0.02614%0.138CC..Hα-helixtrans-88.1-44.6170.5-57.6-69.4000109.1I308 H311 P312 E316 K317 M318 K357 L360 L361 Y370I308-I314 HydrophobicContact CB-CG2 4.26Å; I308-I314 HydrophobicContact CD1-CG2 3.78Å; I308-I314 HydrophobicContact CG1-CG2 4.48Å; H311-I314 HydrophobicContact CB-CG1 4.15Å; H311-I314 WeakPolarHBondContact O-CA 3.49Å; H311-I314 WeakPolarHBondContact O-CB 3.44Å; H311-I314 PolarHBondContact O-N 3.43Å; P312-I314 PolarHBondContact O-N 3.33Å; P312-I314 VanDerWaalsContact O-N 3.13Å; I314-E316 PolarHBondContact O-N 3.36Å; I314-K317 PolarHBondContact O-N 2.86Å; I314-M318 WeakPolarHBondContact O-CB 3.26Å; I314-M318 PolarHBondContact O-N 3.14Å; I314-K357 HydrophobicContact CD1-CG 3.93Å; I314-L360 HydrophobicContact CD1-CD1 4.25Å; I314-L360 HydrophobicContact CG1-CD1 3.96Å; I314-L361 HydrophobicContact CD1-CD1 4.04Å; I314-L361 HydrophobicContact CD1-CD2 4.08Å; I314-L361 HydrophobicContact CD1-CG 4.07Å; I314-Y370 HydrophobicContact CG2-CD2 4.4Å; I314-Y370 HydrophobicContact CG2-CE2 4.03Å
315Y96.5Very high95.3Very high4 Ų429.4 Ų29.42%0.01615%0.151CC..Hα-helixtrans-56-38-179.6-55.3-18.7000112.6H198 N201 I308 Y310 H311 P312 K317 M318 L331 E334 A335 V340H198-Y315 PolarHBondContact CD2-O 2.92Å; H198-Y315 VanDerWaalsContact CD2-O 3.28Å; H198-Y315 PolarHBondContact NE2-O 3.29Å; N201-Y315 PolarHBondContact ND2-O 3.49Å; I308-Y315 HydrophobicContact CD1-CD1 4.04Å; I308-Y315 HydrophobicContact CD1-CE1 3.85Å; Y310-Y315 VanDerWaalsContact CA-OH 3.3Å; Y310-Y315 WeakPolarHBondContact CA-OH 3.23Å; Y310-Y315 VanDerWaalsContact CB-OH 3.27Å; Y310-Y315 WeakPolarHBondContact CB-OH 3.26Å; Y310-Y315 VanDerWaalsContact CD1-OH 3.29Å; Y310-Y315 WeakPolarHBondContact CD1-OH 3.24Å; H311-Y315 WeakPolarHBondContact O-CD1 3.21Å; H311-Y315 PolarHBondContact O-N 2.83Å; H311-Y315 VanDerWaalsContact O-N 3.11Å; P312-Y315 HydrophobicContact CB-CD2 4.47Å; P312-Y315 PolarHBondContact O-N 3.42Å; Y315-K317 PolarHBondContact O-N 3.44Å; Y315-M318 HydrophobicContact CD1-CE 3.6Å; Y315-M318 HydrophobicContact CD1-SD 3.79Å; Y315-M318 HydrophobicContact CE1-CE 4.39Å; Y315-M318 HydrophobicContact CG-CE 3.96Å; Y315-M318 WeakPolarHBondContact O-CG 3.48Å; Y315-M318 PolarHBondContact O-N 3.22Å; Y315-L331 HydrophobicContact CD1-CD1 4.36Å; Y315-L331 HydrophobicContact CE1-CD1 3.69Å; Y315-E334 HydrophobicContact CE2-CB 3.9Å; Y315-E334 PolarHBondContact OH-OE2 3.1Å; Y315-A335 HydrophobicContact CD2-CB 4.36Å; Y315-A335 HydrophobicContact CG-CB 4.23Å; Y315-V340 HydrophobicContact CD2-CG2 4.31Å
316E94.5Very high95.4Very high31 Ų3135.3 Ų35.315%0.14518%0.179CC..THydrogen-bonded Turntrans-50.7-34.7-179.6-168.3-160.8173.300114N201 P312 I314 V340 S344N201-E316 PolarHBondContact ND2-O 2.88Å; P312-E316 PolarHBondContact O-N 3.24Å; I314-E316 PolarHBondContact O-N 3.36Å; E316-V340 HydrophobicContact CB-CG1 4.14Å; E316-S344 VanDerWaalsContact OE1-CB 3.28Å; E316-S344 WeakPolarHBondContact OE1-CB 3.46Å; E316-S344 PolarHBondContact OE1-OG 3.24Å; E316-S344 WeakPolarHBondContact OE2-CB 3.37Å; E316-S344 PolarHBondContact OE2-OG 2.69Å
317K93.6Very high95.6Very high89 Ų8936.1 Ų36.139%0.38718%0.181SC..THydrogen-bonded Turntrans-122.7-4.8-176-61.2-63.3-177.8-173.60114.4F301 I314 Y315F301-K317 HydrophobicContact CD1-CB 4.32Å; F301-K317 WeakPolarHBondContact CD1-O 3.4Å; F301-K317 HydrophobicContact CD2-CB 4.33Å; F301-K317 WeakPolarHBondContact CD2-O 3.28Å; F301-K317 HydrophobicContact CE1-CB 3.73Å; F301-K317 HydrophobicContact CE2-CB 3.75Å; F301-K317 WeakPolarHBondContact CG-O 3.49Å; F301-K317 HydrophobicContact CZ-CB 3.42Å; F301-K317 VanDerWaalsContact CZ-CB 3.42Å; F301-K317 HydrophobicContact CZ-CG 4.21Å; I314-K317 PolarHBondContact O-N 2.86Å; Y315-K317 PolarHBondContact O-N 3.44Å
318M96Very high95.7Very high0 Ų032.8 Ų32.80%017%0.167CC..  trans-62149.2-177.773.6174.3172.900111.6F196 H198 N201 I308 I314 Y315 L331 A335 Y370F196-M318 HydrophobicContact CD1-CE 3.98Å; F196-M318 HydrophobicContact CD1-SD 4.48Å; F196-M318 HydrophobicContact CE1-CE 3.44Å; F196-M318 VanDerWaalsContact CE1-CE 3.44Å; F196-M318 HydrophobicContact CE1-SD 4.43Å; F196-M318 HydrophobicContact CZ-CE 4.17Å; H198-M318 HydrophobicContact CB-CE 4.4Å; H198-M318 HydrophobicContact CB-CG 3.86Å; H198-M318 VanDerWaalsContact CB-O 3.27Å; H198-M318 WeakPolarHBondContact CB-O 3.1Å; N201-M318 WeakPolarHBondContact CB-O 3.25Å; N201-M318 PolarHBondContact ND2-O 2.84Å; I308-M318 HydrophobicContact CD1-SD 3.8Å; I308-M318 HydrophobicContact CG1-SD 4.29Å; I314-M318 WeakPolarHBondContact O-CB 3.26Å; I314-M318 PolarHBondContact O-N 3.14Å; Y315-M318 HydrophobicContact CD1-CE 3.6Å; Y315-M318 HydrophobicContact CD1-SD 3.79Å; Y315-M318 HydrophobicContact CE1-CE 4.39Å; Y315-M318 HydrophobicContact CG-CE 3.96Å; Y315-M318 WeakPolarHBondContact O-CG 3.48Å; Y315-M318 PolarHBondContact O-N 3.22Å; M318-L331 HydrophobicContact CE-CD1 4.3Å; M318-A335 HydrophobicContact CE-CB 3.19Å; M318-Y370 WeakPolarHBondContact CA-OH 3.39Å; M318-Y370 HydrophobicContact CB-CE2 4.04Å; M318-Y370 WeakPolarHBondContact CB-OH 3.05Å
319I98.2Very high95.9Very high5 Ų537.1 Ų37.13%0.02619%0.187CC..  trans-117.4-52.1170-62.6-175.1000109.6I197 H198 N201 L202 Y205 H299 F301 F302 Y370I197-I319 CarbonylContact C-O 3.55Å; I197-I319 WeakPolarHBondContact CA-O 3.35Å; H198-I319 PolarHBondContact N-O 3Å; N201-I319 HydrophobicContact CB-CG1 4.48Å; L202-I319 HydrophobicContact CB-CG2 4.2Å; L202-I319 HydrophobicContact CD1-CG2 3.97Å; Y205-I319 HydrophobicContact CG-CD1 4.45Å; H299-I319 WeakPolarHBondContact CE1-CD1 3.24Å; F301-I319 HydrophobicContact CB-CB 4.15Å; F301-I319 HydrophobicContact CB-CD1 4.4Å; F301-I319 HydrophobicContact CB-CG1 3.93Å; F301-I319 WeakPolarHBondContact O-CB 3.46Å; F301-I319 PolarHBondContact O-N 3.34Å; F302-I319 HydrophobicContact CD2-CG2 4.43Å; F302-I319 HydrophobicContact CE2-CB 4.35Å; F302-I319 HydrophobicContact CE2-CD1 4.23Å; F302-I319 HydrophobicContact CE2-CG2 3.84Å; F302-I319 HydrophobicContact CZ-CG2 4.15Å; I319-Y370 PolarHBondContact N-OH 2.66Å
320T98.3Very high96.1Very high2 Ų241.7 Ų41.71%0.01221%0.21CC..EExtended strand (participates in β ladder)trans-125.7152.2176.772.80000113M189 I195 F196 A256 F301 F302 S303 Y370M189-T320 HydrophobicContact CE-CG2 4.03Å; I195-T320 HydrophobicContact CG2-CG2 4.4Å; F196-T320 CarbonylContact O-C 3.51Å; F196-T320 VanDerWaalsContact O-CA 3.26Å; F196-T320 WeakPolarHBondContact O-CA 3.33Å; A256-T320 HydrophobicContact CB-CG2 3.99Å; F301-T320 PolarHBondContact O-N 3.15Å; F302-T320 WeakPolarHBondContact CA-OG1 3.33Å; F302-T320 HydrophobicContact CD1-CG2 3.99Å; F302-T320 HydrophobicContact CE1-CG2 4.02Å; F302-T320 HydrophobicContact CG-CG2 4.42Å; F302-T320 HydrophobicContact CZ-CG2 4.47Å; S303-T320 VanDerWaalsContact CB-O 3.32Å; S303-T320 WeakPolarHBondContact CB-O 3.4Å; S303-T320 PolarHBondContact N-OG1 3.32Å; S303-T320 PolarHBondContact OG-O 3.15Å; S303-T320 PolarHBondContact OG-OG1 2.74Å; T320-Y370 WeakPolarHBondContact O-CE1 3.08Å; T320-Y370 PolarHBondContact O-OH 3.31Å
321S97.8Very high96.2Very high0 Ų036.5 Ų36.50%019%0.19CC..EExtended strand (participates in β ladder)trans-144.5140.6169.7-176.80000110.9I195 F196 S303 I308 H324I195-S321 CarbonylContact C-O 3.56Å; I195-S321 WeakPolarHBondContact CA-O 3.43Å; F196-S321 PolarHBondContact N-O 3.23Å; F196-S321 PolarHBondContact O-N 3.49Å; S303-S321 VanDerWaalsContact OG-CA 3.26Å; S303-S321 WeakPolarHBondContact OG-CA 3.4Å; I308-S321 VanDerWaalsContact CG1-CB 3.44Å; I308-S321 WeakPolarHBondContact CG1-OG 3.44Å; I308-S321 PolarHBondContact N-OG 2.88Å; S321-H324 WeakPolarHBondContact CB-NE2 3.23Å; S321-H324 PolarHBondContact O-CD2 3.45Å; S321-H324 VanDerWaalsContact O-CD2 3.28Å; S321-H324 PolarHBondContact OG-NE2 3.04Å
322H96.9Very high96.3Very high38 Ų3836 Ų3618%0.17619%0.187CC..EExtended strand (participates in β ladder)trans-92151.1-176.8-160.3-63.6000113.3D194 I195 S303 G304 G306 K307D194-H322 IonicContact OD1-CE1 3.41Å; D194-H322 IonicContact OD2-CE1 3.69Å; D194-H322 PolarHBondContact OD2-CE1 2.82Å; D194-H322 IonicContact OD2-ND1 2.73Å; I195-H322 HydrophobicContact CD1-CB 3.89Å; I195-H322 WeakPolarHBondContact CD1-CD2 3.37Å; S303-H322 PolarHBondContact OG-N 3.25Å; G304-H322 PolarHBondContact O-CD2 3.23Å; G306-H322 WeakPolarHBondContact O-CB 3.38Å; G306-H322 PolarHBondContact O-N 3.24Å; K307-H322 WeakPolarHBondContact CA-O 3.32Å; K307-H322 WeakPolarHBondContact CB-O 3.29Å; K307-H322 WeakPolarHBondContact CG-O 3.34Å
323G95.7Very high96.4Very high27 Ų2738.5 Ų38.528%0.27820%0.201SC..  trans84.936.2163.800000113.9D194 K307D194-G323 PolarHBondContact O-N 3.11Å; K307-G323 WeakPolarHBondContact CE-O 3.42Å; K307-G323 PolarHBondContact NZ-O 3.23Å
324H96.2Very high96.4Very high2 Ų243.3 Ų43.31%0.00922%0.224CC..  trans-103.552.9179.5-62.4-80.6000112.6D194 F196 K307 S321 Q326 D327 L328 L331D194-H324 PolarHBondContact O-N 3.29Å; F196-H324 HydrophobicContact CB-CB 4.29Å; K307-H324 WeakPolarHBondContact CE-CE1 3.36Å; K307-H324 VanDerWaalsContact CE-ND1 3.29Å; K307-H324 WeakPolarHBondContact CE-ND1 3.04Å; S321-H324 WeakPolarHBondContact CB-NE2 3.23Å; S321-H324 PolarHBondContact O-CD2 3.45Å; S321-H324 VanDerWaalsContact O-CD2 3.28Å; S321-H324 PolarHBondContact OG-NE2 3.04Å; H324-Q326 VanDerWaalsContact C-N 3.32Å; H324-Q326 PolarHBondContact O-N 2.99Å; H324-D327 VanDerWaalsContact CA-OD1 3.31Å; H324-D327 WeakPolarHBondContact CA-OD1 3.46Å; H324-D327 IonicContact CE1-OD2 2.63Å; H324-D327 IonicContact CG-OD1 3.53Å; H324-D327 IonicContact CG-OD2 2.98Å; H324-D327 IonicContact ND1-OD1 3.72Å; H324-D327 PolarHBondContact ND1-OD1 3.35Å; H324-D327 IonicContact ND1-OD2 2.86Å; H324-D327 PolarHBondContact ND1-OD2 2.91Å; H324-L328 HydrophobicContact CB-CD1 3.82Å; H324-L331 WeakPolarHBondContact CE1-CD2 3.49Å; H324-L331 WeakPolarHBondContact ND1-CD2 3.34Å
325S93.7Very high96.5Very high46 Ų4643.2 Ų43.232%0.32222%0.223SC..SBendtrans-75.2-17.4179.9-51.10000114.5R102 D194R102-S325 VanDerWaalsContact CZ-OG 3.31Å; R102-S325 PolarHBondContact NH2-OG 3.28Å; D194-S325 WeakPolarHBondContact CB-OG 3.46Å
326Q94.4Very high96.5Very high191 Ų19145 Ų4589%0.89323%0.234SC*.SBendtrans-126.8-31.5-172.9-69.3178.5-17.100113H324H324-Q326 VanDerWaalsContact C-N 3.32Å; H324-Q326 PolarHBondContact O-N 2.99Å
327D96.6Very high96.6Very high28 Ų2846.4 Ų46.415%0.1524%0.243CC..SBendtrans-102.613.5-17364.1-59.2000113.5K307 Y310 H324 Q329 D330 L331K307-D327 IonicContact NZ-OD1 2.58Å; K307-D327 PolarHBondContact NZ-OD1 3.43Å; K307-D327 VanDerWaalsContact NZ-OD1 3.09Å; K307-D327 IonicContact NZ-OD2 3.87Å; K307-D327 PolarHBondContact NZ-OD2 3.36Å; Y310-D327 WeakPolarHBondContact CE1-OD2 3.46Å; Y310-D327 PolarHBondContact OH-OD2 3.41Å; H324-D327 VanDerWaalsContact CA-OD1 3.31Å; H324-D327 WeakPolarHBondContact CA-OD1 3.46Å; H324-D327 IonicContact CE1-OD2 2.63Å; H324-D327 IonicContact CG-OD1 3.53Å; H324-D327 IonicContact CG-OD2 2.98Å; H324-D327 IonicContact ND1-OD1 3.72Å; H324-D327 PolarHBondContact ND1-OD1 3.35Å; H324-D327 IonicContact ND1-OD2 2.86Å; H324-D327 PolarHBondContact ND1-OD2 2.91Å; D327-Q329 VanDerWaalsContact C-N 3.3Å; D327-Q329 PolarHBondContact O-N 3.31Å; D327-D330 PolarHBondContact O-N 2.99Å; D327-L331 WeakPolarHBondContact O-CB 3.43Å; D327-L331 PolarHBondContact O-N 2.69Å
328L96.6Very high96.6Very high7 Ų747 Ų474%0.03726%0.256CS..Hα-helixtrans-58.5-40.8-173-163.879.8000112.9A105 I106 T109 F196 H324 W332A105-L328 HydrophobicContact CB-CD2 3.98Å; I106-L328 HydrophobicContact CB-CD2 4.44Å; I106-L328 HydrophobicContact CG1-CD2 3.66Å; T109-L328 WeakPolarHBondContact OG1-CD2 3.32Å; F196-L328 HydrophobicContact CB-CD1 4.1Å; F196-L328 HydrophobicContact CD2-CD1 3.84Å; F196-L328 HydrophobicContact CD2-CG 4.47Å; F196-L328 HydrophobicContact CG-CD1 4.47Å; H324-L328 HydrophobicContact CB-CD1 3.82Å; L328-W332 WeakPolarHBondContact O-CB 3.11Å; L328-W332 PolarHBondContact O-N 3.43Å
329Q96.8Very high96.5Very high93 Ų9354 Ų5444%0.43529%0.287SS..Hα-helixtrans-70.8-45.1-179.8-69.8178.94300111.8T109 D327 W332 V333T109-Q329 HydrophobicContact CG2-CB 4.18Å; T109-Q329 HydrophobicContact CG2-CG 3.64Å; D327-Q329 VanDerWaalsContact C-N 3.3Å; D327-Q329 PolarHBondContact O-N 3.31Å; Q329-W332 WeakPolarHBondContact O-CB 3.35Å; Q329-W332 PolarHBondContact O-N 3.12Å; Q329-V333 WeakPolarHBondContact O-CG2 3.44Å; Q329-V333 PolarHBondContact O-N 3.35Å; Q329-V333 VanDerWaalsContact O-N 3.1Å
330D97.4Very high96.3Very high111 Ų11154.2 Ų54.259%0.59429%0.288SS*.Hα-helixtrans-62.9-46.4178.2-60.8-30.1000110.6D327 W332 V333 E334D327-D330 PolarHBondContact O-N 2.99Å; D330-W332 VanDerWaalsContact C-N 3.31Å; D330-W332 PolarHBondContact O-N 3.05Å; D330-V333 PolarHBondContact O-N 3.44Å; D330-E334 PolarHBondContact O-N 3.26Å
331L97.8Very high95.9Very high2 Ų259.9 Ų59.91%0.0131%0.312CS..Hα-helixtrans-62.4-38.3175.9179.559.4000111.9F196 Y310 Y315 M318 H324 D327 V333 E334 A335F196-L331 HydrophobicContact CB-CD2 3.87Å; F196-L331 HydrophobicContact CD1-CD2 3.98Å; F196-L331 HydrophobicContact CD1-CG 4.44Å; F196-L331 HydrophobicContact CD2-CB 4.24Å; F196-L331 HydrophobicContact CD2-CD2 3.61Å; F196-L331 HydrophobicContact CD2-CG 3.81Å; F196-L331 HydrophobicContact CE1-CD2 4.48Å; F196-L331 HydrophobicContact CE1-CG 4.46Å; F196-L331 HydrophobicContact CE2-CB 4.25Å; F196-L331 HydrophobicContact CE2-CD2 4.12Å; F196-L331 HydrophobicContact CE2-CG 3.81Å; F196-L331 HydrophobicContact CG-CD2 3.52Å; F196-L331 HydrophobicContact CG-CG 4.12Å; F196-L331 HydrophobicContact CZ-CG 4.15Å; Y310-L331 HydrophobicContact CD1-CD1 4.13Å; Y310-L331 HydrophobicContact CE1-CD1 4.19Å; Y315-L331 HydrophobicContact CD1-CD1 4.36Å; Y315-L331 HydrophobicContact CE1-CD1 3.69Å; M318-L331 HydrophobicContact CE-CD1 4.3Å; H324-L331 WeakPolarHBondContact CE1-CD2 3.49Å; H324-L331 WeakPolarHBondContact ND1-CD2 3.34Å; D327-L331 WeakPolarHBondContact O-CB 3.43Å; D327-L331 PolarHBondContact O-N 2.69Å; L331-V333 VanDerWaalsContact C-N 3.35Å; L331-V333 PolarHBondContact O-N 2.9Å; L331-E334 PolarHBondContact O-N 3.5Å; L331-A335 HydrophobicContact CD1-CB 4.31Å; L331-A335 WeakPolarHBondContact O-CB 3.34Å; L331-A335 PolarHBondContact O-N 2.97Å
332W97.9Very high95.7Very high28 Ų2863.5 Ų63.511%0.10633%0.332CS..Hα-helixtrans-59.7-46.3176.7176-108.1000111.7T109 W110 Y115 F196 M199 L328 Q329 D330 T336T109-W332 HydrophobicContact CG2-CB 3.74Å; T109-W332 HydrophobicContact CG2-CG 3.92Å; W110-W332 HydrophobicContact CB-CE3 3.73Å; W110-W332 HydrophobicContact CB-CH2 4.25Å; W110-W332 HydrophobicContact CB-CZ3 3.52Å; Y115-W332 HydrophobicContact CD1-CH2 4.22Å; Y115-W332 HydrophobicContact CD1-CZ2 4.04Å; Y115-W332 AromaticContact CE1-CH2 3.68Å; Y115-W332 HydrophobicContact CE1-CH2 3.68Å; Y115-W332 AromaticContact CE1-CZ2 3.68Å; Y115-W332 HydrophobicContact CE1-CZ2 3.68Å; Y115-W332 HydrophobicContact CE2-CZ2 4.33Å; Y115-W332 AromaticContact CZ-CZ2 3.84Å; F196-W332 HydrophobicContact CE2-CB 3.97Å; F196-W332 HydrophobicContact CE2-CE3 4Å; F196-W332 AromaticContact CZ-CE3 3.81Å; F196-W332 HydrophobicContact CZ-CE3 3.81Å; M199-W332 HydrophobicContact CB-CH2 4.16Å; M199-W332 HydrophobicContact CB-CZ3 4.22Å; L328-W332 WeakPolarHBondContact O-CB 3.11Å; L328-W332 PolarHBondContact O-N 3.43Å; Q329-W332 WeakPolarHBondContact O-CB 3.35Å; Q329-W332 PolarHBondContact O-N 3.12Å; D330-W332 VanDerWaalsContact C-N 3.31Å; D330-W332 PolarHBondContact O-N 3.05Å; W332-T336 HydrophobicContact CD2-CG2 3.88Å; W332-T336 HydrophobicContact CE3-CG2 3.64Å; W332-T336 HydrophobicContact CH2-CG2 3.68Å; W332-T336 HydrophobicContact CZ2-CG2 3.91Å; W332-T336 HydrophobicContact CZ3-CG2 3.52Å; W332-T336 WeakPolarHBondContact O-CB 3.29Å; W332-T336 WeakPolarHBondContact O-CG2 3.43Å; W332-T336 PolarHBondContact O-N 2.72Å; W332-T336 VanDerWaalsContact O-N 3.09Å; W332-T336 PolarHBondContact O-OG1 2.87Å
333V97.6Very high95.5Very high99 Ų9963.9 Ų63.960%0.633%0.334SS*.Hα-helixtrans-62.3-47.7178174.40000110.9Q329 D330 L331 D337Q329-V333 WeakPolarHBondContact O-CG2 3.44Å; Q329-V333 PolarHBondContact O-N 3.35Å; Q329-V333 VanDerWaalsContact O-N 3.1Å; D330-V333 PolarHBondContact O-N 3.44Å; L331-V333 VanDerWaalsContact C-N 3.35Å; L331-V333 PolarHBondContact O-N 2.9Å; V333-D337 PolarHBondContact O-N 2.86Å
334E97.2Very high95.3Very high102 Ų10263.4 Ų63.448%0.47733%0.327SS..Hα-helixtrans-66.5-43.6-179.7-71.3-174.9-168.200113.1Y315 D330 L331 V340Y315-E334 HydrophobicContact CE2-CB 3.9Å; Y315-E334 PolarHBondContact OH-OE2 3.1Å; D330-E334 PolarHBondContact O-N 3.26Å; L331-E334 PolarHBondContact O-N 3.5Å; E334-V340 WeakPolarHBondContact O-CG2 3.43Å
335A97.3Very high95.2Very high2 Ų269.8 Ų69.82%0.01736%0.355CS..Hα-helixtrans-70.2-33.4-175.100000112.9F196 H198 Y315 M318 L331F196-A335 HydrophobicContact CE1-CB 4.26Å; F196-A335 HydrophobicContact CZ-CB 3.9Å; H198-A335 PolarHBondContact NE2-O 3.38Å; Y315-A335 HydrophobicContact CD2-CB 4.36Å; Y315-A335 HydrophobicContact CG-CB 4.23Å; M318-A335 HydrophobicContact CE-CB 3.19Å; L331-A335 HydrophobicContact CD1-CB 4.31Å; L331-A335 WeakPolarHBondContact O-CB 3.34Å; L331-A335 PolarHBondContact O-N 2.97Å
336T96.4Very high95.3Very high41 Ų4169.9 Ų69.925%0.25236%0.363SS..Hα-helixtrans-97.11.1-177.463.80000113.9P200 W332P200-T336 HydrophobicContact CG-CG2 4.43Å; W332-T336 HydrophobicContact CD2-CG2 3.88Å; W332-T336 HydrophobicContact CE3-CG2 3.64Å; W332-T336 HydrophobicContact CH2-CG2 3.68Å; W332-T336 HydrophobicContact CZ2-CG2 3.91Å; W332-T336 HydrophobicContact CZ3-CG2 3.52Å; W332-T336 WeakPolarHBondContact O-CB 3.29Å; W332-T336 WeakPolarHBondContact O-CG2 3.43Å; W332-T336 PolarHBondContact O-N 2.72Å; W332-T336 VanDerWaalsContact O-N 3.09Å; W332-T336 PolarHBondContact O-OG1 2.87Å
337D96.3Very high95.3Very high61 Ų6167.6 Ų67.633%0.32635%0.35SS..  trans-56.4127.4173.1-172.6-47.2000109.5V333 K339 V340V333-D337 PolarHBondContact O-N 2.86Å; D337-K339 PolarHBondContact O-N 3.31Å; D337-K339 VanDerWaalsContact OD1-CB 3.24Å; D337-K339 WeakPolarHBondContact OD1-CB 3.5Å; D337-K339 VanDerWaalsContact OD1-CG 3.27Å; D337-K339 WeakPolarHBondContact OD1-CG 3.22Å; D337-K339 PolarHBondContact OD1-N 2.99Å; D337-V340 HydrophobicContact CB-CG2 4.33Å; D337-V340 VanDerWaalsContact O-CB 3.26Å; D337-V340 WeakPolarHBondContact O-CB 3.14Å; D337-V340 WeakPolarHBondContact O-CG2 3.44Å; D337-V340 PolarHBondContact O-N 2.86Å
338P93.3Very high95.3Very high101 Ų10174.4 Ų74.466%0.65638%0.378SS*.G310 helixtrans-50.6-30.2178.4-29.335.8000114.6V340 K341P338-V340 PolarHBondContact O-N 3.34Å; P338-K341 PolarHBondContact O-N 2.97Å; P338-K341 VanDerWaalsContact O-N 3.13Å
339K94.1Very high95.2Very high149 Ų14974.7 Ų74.765%0.64838%0.383SS*.G310 helixtrans-63.2-23.2177.5-65.1170.9-176.1167.70113.1D337 K341 D342 I343D337-K339 PolarHBondContact O-N 3.31Å; D337-K339 VanDerWaalsContact OD1-CB 3.24Å; D337-K339 WeakPolarHBondContact OD1-CB 3.5Å; D337-K339 VanDerWaalsContact OD1-CG 3.27Å; D337-K339 WeakPolarHBondContact OD1-CG 3.22Å; D337-K339 PolarHBondContact OD1-N 2.99Å; K339-K341 PolarHBondContact O-N 3.09Å; K339-D342 PolarHBondContact O-N 3.34Å; K339-I343 PolarHBondContact O-N 2.82Å
340V95.1Very high95.1Very high8 Ų875.9 Ų75.95%0.04839%0.389CS..G310 helixtrans-59.6-35.8174.8174.20000110.8P312 Y315 E316 E334 D337 P338 D342 I343P312-V340 HydrophobicContact CB-CG2 4.31Å; Y315-V340 HydrophobicContact CD2-CG2 4.31Å; E316-V340 HydrophobicContact CB-CG1 4.14Å; E334-V340 WeakPolarHBondContact O-CG2 3.43Å; D337-V340 HydrophobicContact CB-CG2 4.33Å; D337-V340 VanDerWaalsContact O-CB 3.26Å; D337-V340 WeakPolarHBondContact O-CB 3.14Å; D337-V340 WeakPolarHBondContact O-CG2 3.44Å; D337-V340 PolarHBondContact O-N 2.86Å; P338-V340 PolarHBondContact O-N 3.34Å; V340-D342 VanDerWaalsContact C-N 3.28Å; V340-D342 PolarHBondContact O-N 2.75Å; V340-I343 WeakPolarHBondContact O-CG2 3.39Å
341K89.3Confident95.1Very high122 Ų12274 Ų7453%0.5338%0.378SS..G310 helixtrans-76.3-16.1176.5-65.7-170.4175.8-170.10113.2P338 K339P338-K341 PolarHBondContact O-N 2.97Å; P338-K341 VanDerWaalsContact O-N 3.13Å; K339-K341 PolarHBondContact O-N 3.09Å
342D92.8Very high95Very high76 Ų7678.9 Ų78.941%0.40640%0.397SS..THydrogen-bonded Turntrans-88.1-22.6-179-67.7-27000113K339 V340 S344 K345K339-D342 PolarHBondContact O-N 3.34Å; V340-D342 VanDerWaalsContact C-N 3.28Å; V340-D342 PolarHBondContact O-N 2.75Å; D342-S344 VanDerWaalsContact C-N 3.27Å; D342-S344 PolarHBondContact O-N 2.51Å; D342-K345 HydrophobicContact CB-CD 4.32Å; D342-K345 VanDerWaalsContact O-CB 3.32Å; D342-K345 WeakPolarHBondContact O-CB 3.45Å; D342-K345 PolarHBondContact O-N 3.22Å; D342-K345 WeakPolarHBondContact OD1-CD 3.36Å; D342-K345 WeakPolarHBondContact OD1-CE 3.41Å; D342-K345 IonicContact OD1-NZ 2.61Å; D342-K345 PolarHBondContact OD1-NZ 3.46Å
343I93.1Very high95Very high45 Ų4577.8 Ų77.823%0.23139%0.393CS..THydrogen-bonded Turntrans-65.1-29.4-172.5-162.5169.8000113.8P312 K339 V340 G349 Y352P312-I343 HydrophobicContact CB-CD1 3.7Å; P312-I343 HydrophobicContact CB-CG2 4.36Å; P312-I343 HydrophobicContact CG-CD1 4.26Å; K339-I343 PolarHBondContact O-N 2.82Å; V340-I343 WeakPolarHBondContact O-CG2 3.39Å; I343-G349 WeakPolarHBondContact O-CA 3.32Å; I343-Y352 HydrophobicContact CD1-CE1 3.87Å; I343-Y352 HydrophobicContact CG1-CD1 4.34Å; I343-Y352 HydrophobicContact CG1-CE1 4.04Å
344S91.8Very high94.9Very high17 Ų1779.4 Ų79.412%0.11939%0.389CS..THydrogen-bonded Turntrans-93.91.4177.269.60000113E316 D342 Q350E316-S344 VanDerWaalsContact OE1-CB 3.28Å; E316-S344 WeakPolarHBondContact OE1-CB 3.46Å; E316-S344 PolarHBondContact OE1-OG 3.24Å; E316-S344 WeakPolarHBondContact OE2-CB 3.37Å; E316-S344 PolarHBondContact OE2-OG 2.69Å; D342-S344 VanDerWaalsContact C-N 3.27Å; D342-S344 PolarHBondContact O-N 2.51Å; S344-Q350 WeakPolarHBondContact O-CG 3.27Å; S344-Q350 PolarHBondContact O-N 3.46Å
345K93.3Very high94.9Very high137 Ų13779.4 Ų79.460%0.59639%0.391SS*.  trans-67.1139-177.9-76.3-176.8176.4173.20111.4D342D342-K345 HydrophobicContact CB-CD 4.32Å; D342-K345 VanDerWaalsContact O-CB 3.32Å; D342-K345 WeakPolarHBondContact O-CB 3.45Å; D342-K345 PolarHBondContact O-N 3.22Å; D342-K345 WeakPolarHBondContact OD1-CD 3.36Å; D342-K345 WeakPolarHBondContact OD1-CE 3.41Å; D342-K345 IonicContact OD1-NZ 2.61Å; D342-K345 PolarHBondContact OD1-NZ 3.46Å
346G95.4Very high94.8Very high47 Ų4781.1 Ų81.149%0.48540%0.4SS..Hα-helixtrans72.2168.9179.700000113.6F348 G349 Q350G346-F348 PolarHBondContact O-N 2.64Å; G346-G349 PolarHBondContact O-N 2.79Å; G346-Q350 WeakPolarHBondContact O-CG 3.41Å; G346-Q350 PolarHBondContact O-N 2.98Å
347F95.5Very high94.7Very high144 Ų14479.9 Ų79.963%0.63239%0.391SS*.Hα-helixtrans-56.7-45.3-174.1179.2-105.6000113.3I351F347-I351 HydrophobicContact CD1-CD1 3.8Å; F347-I351 HydrophobicContact CD2-CD1 4.32Å; F347-I351 HydrophobicContact CE1-CD1 3.31Å; F347-I351 HydrophobicContact CE2-CD1 3.89Å; F347-I351 HydrophobicContact CG-CD1 4.3Å; F347-I351 HydrophobicContact CZ-CD1 3.37Å; F347-I351 WeakPolarHBondContact O-CG1 3.48Å; F347-I351 PolarHBondContact O-N 3.22Å; F347-I351 VanDerWaalsContact O-N 3.1Å
348F95.4Very high94.7Very high170 Ų17079.6 Ų79.675%0.74639%0.389SS*.Hα-helixtrans-70.3-36.7-179.8-66.6-69.6000113G346 I351 Y352G346-F348 PolarHBondContact O-N 2.64Å; F348-I351 PolarHBondContact O-N 3.42Å; F348-Y352 VanDerWaalsContact O-CB 3.26Å; F348-Y352 WeakPolarHBondContact O-CB 3Å; F348-Y352 PolarHBondContact O-N 2.66Å
349G95.5Very high94.7Very high13 Ų1379.6 Ų79.613%0.13439%0.387CS..Hα-helixtrans-63.3-4417500000111.9I343 G346 I351 Y352 C353I343-G349 WeakPolarHBondContact O-CA 3.32Å; G346-G349 PolarHBondContact O-N 2.79Å; G349-I351 PolarHBondContact O-N 3.12Å; G349-Y352 PolarHBondContact O-N 3.35Å; G349-C353 PolarHBondContact O-N 3.39Å
350Q95.4Very high94.7Very high119 Ų11973.9 Ų73.956%0.55636%0.363SS*.Hα-helixtrans-60.9-45.2175.2-68.1-179.52.800112.2S344 G346 R354S344-Q350 WeakPolarHBondContact O-CG 3.27Å; S344-Q350 PolarHBondContact O-N 3.46Å; G346-Q350 WeakPolarHBondContact O-CG 3.41Å; G346-Q350 PolarHBondContact O-N 2.98Å; Q350-R354 VanDerWaalsContact O-CB 3.25Å; Q350-R354 WeakPolarHBondContact O-CB 3.17Å; Q350-R354 PolarHBondContact O-N 3.25Å
351I96.1Very high94.6Very high71 Ų7174.3 Ų74.336%0.36437%0.365SS..Hα-helixtrans-62.8-48.2176.7-71.6172.5000110.4F347 F348 G349 C353 R354 L355F347-I351 HydrophobicContact CD1-CD1 3.8Å; F347-I351 HydrophobicContact CD2-CD1 4.32Å; F347-I351 HydrophobicContact CE1-CD1 3.31Å; F347-I351 HydrophobicContact CE2-CD1 3.89Å; F347-I351 HydrophobicContact CG-CD1 4.3Å; F347-I351 HydrophobicContact CZ-CD1 3.37Å; F347-I351 WeakPolarHBondContact O-CG1 3.48Å; F347-I351 PolarHBondContact O-N 3.22Å; F347-I351 VanDerWaalsContact O-N 3.1Å; F348-I351 PolarHBondContact O-N 3.42Å; G349-I351 PolarHBondContact O-N 3.12Å; I351-C353 PolarHBondContact O-N 3.36Å; I351-R354 PolarHBondContact O-N 2.8Å; I351-L355 HydrophobicContact CG2-CD1 3.9Å; I351-L355 HydrophobicContact CG2-CG 4.32Å; I351-L355 WeakPolarHBondContact O-CG 3.49Å; I351-L355 PolarHBondContact O-N 2.92Å
352Y96.7Very high94.7Very high105 Ų10570.4 Ų70.441%0.41235%0.353SS..Hα-helixtrans-55.4-54.3178.5168-102.4000111H311 C313 I343 F348 G349 R354 L355 I356H311-Y352 PolarHBondContact CE1-OH 2.94Å; H311-Y352 PolarHBondContact NE2-OH 3.09Å; C313-Y352 WeakPolarHBondContact SG-CE1 3.43Å; I343-Y352 HydrophobicContact CD1-CE1 3.87Å; I343-Y352 HydrophobicContact CG1-CD1 4.34Å; I343-Y352 HydrophobicContact CG1-CE1 4.04Å; F348-Y352 VanDerWaalsContact O-CB 3.26Å; F348-Y352 WeakPolarHBondContact O-CB 3Å; F348-Y352 PolarHBondContact O-N 2.66Å; G349-Y352 PolarHBondContact O-N 3.35Å; Y352-R354 VanDerWaalsContact C-N 3.33Å; Y352-R354 PolarHBondContact O-N 3.2Å; Y352-L355 PolarHBondContact O-N 3.12Å; Y352-I356 HydrophobicContact CD2-CG1 4.1Å; Y352-I356 HydrophobicContact CE1-CG1 4.13Å; Y352-I356 HydrophobicContact CE2-CD1 3.93Å; Y352-I356 HydrophobicContact CE2-CG1 3.67Å; Y352-I356 WeakPolarHBondContact O-CG1 3.4Å; Y352-I356 PolarHBondContact O-N 3.41Å
353C96.6Very high94.4Very high4 Ų472.1 Ų72.13%0.02735%0.354CS..Hα-helixtrans-65.2-35.8-179.5-78.20000112.9C313 G349 I351 I356 K357C313-C353 HydrophobicContact CB-CB 3.56Å; C313-C353 WeakPolarHBondContact CB-SG 3.32Å; C313-C353 WeakPolarHBondContact SG-CA 3.48Å; C313-C353 WeakPolarHBondContact SG-CB 3.4Å; C313-C353 CovalentContact SG-SG 2.05Å; C313-C353 PolarHBondContact SG-SG 3.43Å; G349-C353 PolarHBondContact O-N 3.39Å; I351-C353 PolarHBondContact O-N 3.36Å; C353-I356 PolarHBondContact O-N 3.35Å; C353-K357 WeakPolarHBondContact O-CB 3.32Å; C353-K357 VanDerWaalsContact O-CG 3.25Å; C353-K357 WeakPolarHBondContact O-CG 3.3Å; C353-K357 PolarHBondContact O-N 2.93Å
354R96.3Very high93.8Very high134 Ų13479 Ų7951%0.50639%0.39SS..Hα-helixtrans-61-46.7173.2-175.9171.3-71.7-179.8-2.4111.6Q350 I351 Y352 K357 I358Q350-R354 VanDerWaalsContact O-CB 3.25Å; Q350-R354 WeakPolarHBondContact O-CB 3.17Å; Q350-R354 PolarHBondContact O-N 3.25Å; I351-R354 PolarHBondContact O-N 2.8Å; Y352-R354 VanDerWaalsContact C-N 3.33Å; Y352-R354 PolarHBondContact O-N 3.2Å; R354-K357 PolarHBondContact O-N 2.75Å; R354-I358 HydrophobicContact CG-CD1 4.13Å; R354-I358 VanDerWaalsContact O-CG1 3.29Å; R354-I358 WeakPolarHBondContact O-CG1 3.48Å; R354-I358 PolarHBondContact O-N 3.44Å
355L96.4Very high93Very high101 Ų10183 Ų8353%0.52941%0.413SS..Hα-helixtrans-62.7-44.3177.8-70.2175.2000111.7I351 Y352 I358 V359I351-L355 HydrophobicContact CG2-CD1 3.9Å; I351-L355 HydrophobicContact CG2-CG 4.32Å; I351-L355 WeakPolarHBondContact O-CG 3.49Å; I351-L355 PolarHBondContact O-N 2.92Å; Y352-L355 PolarHBondContact O-N 3.12Å; L355-I358 PolarHBondContact O-N 2.84Å; L355-V359 WeakPolarHBondContact O-CG2 3.34Å; L355-V359 PolarHBondContact O-N 3.49Å
356I95.7Very high91.7Very high38 Ų3885.2 Ų85.220%0.19542%0.42CS..Hα-helixtrans-60.6-47.4176-67.6-63.1000111C313 Y352 C353 I358 V359 L360C313-I356 HydrophobicContact CB-CG2 4.28Å; Y352-I356 HydrophobicContact CD2-CG1 4.1Å; Y352-I356 HydrophobicContact CE1-CG1 4.13Å; Y352-I356 HydrophobicContact CE2-CD1 3.93Å; Y352-I356 HydrophobicContact CE2-CG1 3.67Å; Y352-I356 WeakPolarHBondContact O-CG1 3.4Å; Y352-I356 PolarHBondContact O-N 3.41Å; C353-I356 PolarHBondContact O-N 3.35Å; I356-I358 VanDerWaalsContact C-N 3.3Å; I356-I358 PolarHBondContact O-N 3.25Å; I356-V359 PolarHBondContact O-N 2.9Å; I356-L360 HydrophobicContact CG2-CD1 3.48Å; I356-L360 VanDerWaalsContact CG2-CD1 3.48Å; I356-L360 HydrophobicContact CG2-CG 4.07Å; I356-L360 WeakPolarHBondContact O-CB 3.18Å; I356-L360 VanDerWaalsContact O-CG 3.28Å; I356-L360 WeakPolarHBondContact O-CG 3.37Å; I356-L360 PolarHBondContact O-N 3.01Å
357K95.3Very high90.4Very high16 Ų1688.5 Ų88.57%0.0742%0.417CS..Hα-helixtrans-60.3-39.8177.4-69.2-170.6-67.3178.30111.7I314 C353 R354 L360 L361 A375 A377I314-K357 HydrophobicContact CD1-CG 3.93Å; C353-K357 WeakPolarHBondContact O-CB 3.32Å; C353-K357 VanDerWaalsContact O-CG 3.25Å; C353-K357 WeakPolarHBondContact O-CG 3.3Å; C353-K357 PolarHBondContact O-N 2.93Å; R354-K357 PolarHBondContact O-N 2.75Å; K357-L360 PolarHBondContact O-N 3.34Å; K357-L361 HydrophobicContact CB-CD1 4.38Å; K357-L361 WeakPolarHBondContact O-CB 3.27Å; K357-L361 WeakPolarHBondContact O-CG 3.44Å; K357-L361 PolarHBondContact O-N 3.24Å; K357-A375 HydrophobicContact CB-CB 3.65Å; K357-A375 VanDerWaalsContact CE-O 3.3Å; K357-A375 WeakPolarHBondContact CE-O 3.48Å; K357-A377 PolarHBondContact NZ-O 3.47Å
358I95Very high89.3Confident54 Ų5483.9 Ų83.928%0.27740%0.399SS..Hα-helixtrans-60.2-49.5174.9-69.9166.6000110.3R354 L355 I356 L360 C362 A375 F376R354-I358 HydrophobicContact CG-CD1 4.13Å; R354-I358 VanDerWaalsContact O-CG1 3.29Å; R354-I358 WeakPolarHBondContact O-CG1 3.48Å; R354-I358 PolarHBondContact O-N 3.44Å; L355-I358 PolarHBondContact O-N 2.84Å; I356-I358 VanDerWaalsContact C-N 3.3Å; I356-I358 PolarHBondContact O-N 3.25Å; I358-L360 VanDerWaalsContact C-N 3.31Å; I358-L360 PolarHBondContact O-N 2.73Å; I358-C362 HydrophobicContact CG2-CB 4.26Å; I358-C362 WeakPolarHBondContact O-CA 3.48Å; I358-C362 WeakPolarHBondContact O-CB 3.44Å; I358-C362 PolarHBondContact O-N 3.12Å; I358-A375 HydrophobicContact CG1-CB 3.93Å; I358-F376 HydrophobicContact CD1-CE1 3.95Å; I358-F376 HydrophobicContact CD1-CZ 3.99Å; I358-F376 HydrophobicContact CG1-CE1 4.3Å; I358-F376 HydrophobicContact CG1-CZ 3.97Å
359V94Very high89Confident102 Ų10276 Ų7662%0.61837%0.366SS*.Hα-helixtrans-62.3-39179.81720000112L355 I356L355-V359 WeakPolarHBondContact O-CG2 3.34Å; L355-V359 PolarHBondContact O-N 3.49Å; I356-V359 PolarHBondContact O-N 2.9Å
360L93.3Very high88.9Confident28 Ų2875.7 Ų75.715%0.14736%0.36CS..Hα-helixtrans-80.1-38.2-175.8-68.7179.6000113.2P309 H311 I314 I356 K357 I358P309-L360 HydrophobicContact CB-CB 4.39Å; P309-L360 HydrophobicContact CB-CD1 4.14Å; P309-L360 HydrophobicContact CB-CD2 4.17Å; P309-L360 HydrophobicContact CB-CG 4.48Å; P309-L360 HydrophobicContact CG-CB 4.18Å; H311-L360 HydrophobicContact CB-CD1 3.81Å; I314-L360 HydrophobicContact CD1-CD1 4.25Å; I314-L360 HydrophobicContact CG1-CD1 3.96Å; I356-L360 HydrophobicContact CG2-CD1 3.48Å; I356-L360 VanDerWaalsContact CG2-CD1 3.48Å; I356-L360 HydrophobicContact CG2-CG 4.07Å; I356-L360 WeakPolarHBondContact O-CB 3.18Å; I356-L360 VanDerWaalsContact O-CG 3.28Å; I356-L360 WeakPolarHBondContact O-CG 3.37Å; I356-L360 PolarHBondContact O-N 3.01Å; K357-L360 PolarHBondContact O-N 3.34Å; I358-L360 VanDerWaalsContact C-N 3.31Å; I358-L360 PolarHBondContact O-N 2.73Å
361L93.1Very high88.8Confident18 Ų1872 Ų729%0.09435%0.346CS..Hα-helixtrans-104.6-30.7-170.5-54.3-177.8000113.8P309 I314 K357 R363 Y370 A374P309-L361 HydrophobicContact CG-CD2 4.4Å; I314-L361 HydrophobicContact CD1-CD1 4.04Å; I314-L361 HydrophobicContact CD1-CD2 4.08Å; I314-L361 HydrophobicContact CD1-CG 4.07Å; K357-L361 HydrophobicContact CB-CD1 4.38Å; K357-L361 WeakPolarHBondContact O-CB 3.27Å; K357-L361 WeakPolarHBondContact O-CG 3.44Å; K357-L361 PolarHBondContact O-N 3.24Å; L361-R363 VanDerWaalsContact C-N 3.3Å; L361-R363 PolarHBondContact O-N 3.21Å; L361-Y370 HydrophobicContact CD1-CD2 4.48Å; L361-A374 HydrophobicContact CD1-CB 3.93Å
362C92.6Very high88.6Confident40 Ų4071.2 Ų71.227%0.2735%0.347SS..  trans-93.155.7-178.4-55.70000111.6I358 C372I358-C362 HydrophobicContact CG2-CB 4.26Å; I358-C362 WeakPolarHBondContact O-CA 3.48Å; I358-C362 WeakPolarHBondContact O-CB 3.44Å; I358-C362 PolarHBondContact O-N 3.12Å; C362-C372 HydrophobicContact CB-CB 3.86Å; C362-C372 WeakPolarHBondContact CB-SG 3.35Å; C362-C372 VanDerWaalsContact SG-CA 3.54Å; C362-C372 WeakPolarHBondContact SG-CB 3.17Å; C362-C372 CovalentContact SG-SG 2.04Å; C362-C372 PolarHBondContact SG-SG 3.45Å
363R86Confident88.5Confident112 Ų11272 Ų7242%0.42335%0.349SS..  trans-82.8148177.4-64.8-170.3178.4-154.1-0.8111.2L361 T365L361-R363 VanDerWaalsContact C-N 3.3Å; L361-R363 PolarHBondContact O-N 3.21Å; R363-T365 PolarHBondContact O-N 3.32Å
364L80.1Confident88.3Confident188 Ų18871.8 Ų71.898%0.98435%0.348SS*.SBendtrans-67.8-25.1174.3-65.8174.7000112.5
365T75.8Confident88.2Confident101 Ų10165.4 Ų65.462%0.6232%0.324SS*.SBendtrans-90.7134.3172.153.40000110.1R363 R367R363-T365 PolarHBondContact O-N 3.32Å; T365-R367 PolarHBondContact O-N 3.41Å
366Y65.3Low88Confident185 Ų18566.1 Ų66.173%0.72532%0.322SS*.  trans-58.2125.9179.2-176.3-97.9000110.9N368Y366-N368 HydrophobicContact CE1-CB 3.83Å; Y366-N368 WeakPolarHBondContact CE1-OD1 3.49Å; Y366-N368 PolarHBondContact OH-OD1 3.08Å
367R67.6Low87.6Confident115 Ų11568.1 Ų68.143%0.43435%0.345SS..  trans-118.8134.8165.5-80.3-167.7172.3-160.3-4.5108.9T365 S369T365-R367 PolarHBondContact O-N 3.41Å; R367-S369 PolarHBondContact O-N 3.41Å
368N73.7Confident87.2Confident48 Ų4870.7 Ų70.726%0.25736%0.358SS..SBendtrans-89.332-173.8-15032.3000112.8E305 G306 Y366E305-N368 PolarHBondContact OE2-ND2 3.12Å; G306-N368 WeakPolarHBondContact CA-O 3.32Å; G306-N368 PolarHBondContact N-O 3.23Å; Y366-N368 HydrophobicContact CE1-CB 3.83Å; Y366-N368 WeakPolarHBondContact CE1-OD1 3.49Å; Y366-N368 PolarHBondContact OH-OD1 3.08Å
369S88.6Confident86.8Confident5 Ų571.6 Ų71.64%0.03536%0.363CS..SBendtrans-107.3-110.8178.963.60000111.9S303 R367S303-S369 VanDerWaalsContact O-CA 3.29Å; S303-S369 WeakPolarHBondContact O-CA 3.4Å; R367-S369 PolarHBondContact O-N 3.41Å
370Y93.8Very high86.4Confident6 Ų669.9 Ų69.92%0.02435%0.348CS..SBendtrans-86.8137.7175.5-61.2-20.1000111.2V300 F301 I308 I314 M318 I319 T320 L361V300-Y370 WeakPolarHBondContact O-CD1 3.5Å; F301-Y370 HydrophobicContact CB-CE1 4.45Å; F301-Y370 HydrophobicContact CD1-CD2 4.1Å; F301-Y370 AromaticContact CD1-CE2 3.91Å; F301-Y370 HydrophobicContact CD1-CE2 3.91Å; F301-Y370 VanDerWaalsContact O-CE1 3.25Å; F301-Y370 WeakPolarHBondContact O-CE1 3.48Å; F301-Y370 PolarHBondContact O-OH 2.88Å; F301-Y370 VanDerWaalsContact O-OH 3.13Å; I308-Y370 HydrophobicContact CG2-CD1 4.31Å; I308-Y370 HydrophobicContact CG2-CD2 4.11Å; I308-Y370 HydrophobicContact CG2-CE1 3.84Å; I308-Y370 HydrophobicContact CG2-CE2 3.66Å; I308-Y370 HydrophobicContact CG2-CG 4.42Å; I314-Y370 HydrophobicContact CG2-CD2 4.4Å; I314-Y370 HydrophobicContact CG2-CE2 4.03Å; M318-Y370 WeakPolarHBondContact CA-OH 3.39Å; M318-Y370 HydrophobicContact CB-CE2 4.04Å; M318-Y370 WeakPolarHBondContact CB-OH 3.05Å; I319-Y370 PolarHBondContact N-OH 2.66Å; T320-Y370 WeakPolarHBondContact O-CE1 3.08Å; T320-Y370 PolarHBondContact O-OH 3.31Å; L361-Y370 HydrophobicContact CD1-CD2 4.48Å
371P92.5Very high86Confident41 Ų4172.4 Ų72.427%0.26636%0.36SS..  trans-69.4155.4175.431.7-36.7000110.5V300 R373 A374V300-P371 HydrophobicContact CB-CG 4.47Å; V300-P371 HydrophobicContact CG1-CG 4.42Å; P371-R373 HydrophobicContact CB-CG 3.85Å; P371-R373 HydrophobicContact CG-CG 3.54Å; P371-R373 PolarHBondContact O-N 2.79Å; P371-A374 WeakPolarHBondContact O-CB 3.38Å; P371-A374 PolarHBondContact O-N 2.89Å
372C92.8Very high85.6Confident55 Ų5575.8 Ų75.837%0.37238%0.377SS..G310 helixtrans-53.5-29.6177.7172.40000113.2C362 A374 A375C362-C372 HydrophobicContact CB-CB 3.86Å; C362-C372 WeakPolarHBondContact CB-SG 3.35Å; C362-C372 VanDerWaalsContact SG-CA 3.54Å; C362-C372 WeakPolarHBondContact SG-CB 3.17Å; C362-C372 CovalentContact SG-SG 2.04Å; C362-C372 PolarHBondContact SG-SG 3.45Å; C372-A374 PolarHBondContact O-N 2.78Å; C372-A375 VanDerWaalsContact O-CB 3.25Å; C372-A375 WeakPolarHBondContact O-CB 3.41Å; C372-A375 PolarHBondContact O-N 3.41Å
373R93.2Very high85.1Confident121 Ų12178.1 Ų78.146%0.45738%0.384SS..G310 helixtrans-57.2-27.9173.665.3-176.3-174.4138.218.1113.9D298 V300 P371 A375 F376 A377D298-R373 PolarHBondContact O-NH2 3.46Å; D298-R373 IonicContact OD2-CZ 3.46Å; D298-R373 IonicContact OD2-NE 3.86Å; D298-R373 IonicContact OD2-NH2 2.56Å; D298-R373 PolarHBondContact OD2-NH2 2.84Å; V300-R373 HydrophobicContact CG1-CG 3.76Å; P371-R373 HydrophobicContact CB-CG 3.85Å; P371-R373 HydrophobicContact CG-CG 3.54Å; P371-R373 PolarHBondContact O-N 2.79Å; R373-A375 PolarHBondContact O-N 2.96Å; R373-F376 PolarHBondContact O-N 3.19Å; R373-F376 VanDerWaalsContact O-N 3.08Å; R373-A377 PolarHBondContact O-N 2.81Å
374A93.9Very high85.1Confident0 Ų075.7 Ų75.70%038%0.381CS..G310 helixtrans-64.2-21.1175.300000112.9V300 F301 L361 P371 C372 F376 A377V300-A374 HydrophobicContact CB-CB 4Å; V300-A374 HydrophobicContact CG2-CB 4.48Å; F301-A374 HydrophobicContact CD1-CB 4.38Å; F301-A374 HydrophobicContact CE1-CB 3.94Å; L361-A374 HydrophobicContact CD1-CB 3.93Å; P371-A374 WeakPolarHBondContact O-CB 3.38Å; P371-A374 PolarHBondContact O-N 2.89Å; C372-A374 PolarHBondContact O-N 2.78Å; A374-F376 PolarHBondContact O-N 2.99Å; A374-A377 PolarHBondContact O-N 2.76Å
375A93.5Very high85.4Confident0 Ų067.1 Ų67.10%034%0.335CS..G310 helixtrans-68.1-19.7174.300000113.5K357 I358 C372 R373K357-A375 HydrophobicContact CB-CB 3.65Å; K357-A375 VanDerWaalsContact CE-O 3.3Å; K357-A375 WeakPolarHBondContact CE-O 3.48Å; I358-A375 HydrophobicContact CG1-CB 3.93Å; C372-A375 VanDerWaalsContact O-CB 3.25Å; C372-A375 WeakPolarHBondContact O-CB 3.41Å; C372-A375 PolarHBondContact O-N 3.41Å; R373-A375 PolarHBondContact O-N 2.96Å
376F93.4Very high86.3Confident115 Ų11564.3 Ų64.350%0.50431%0.311SS..  trans-107.1-6.7-177.3-56.7-83.2000113.6I358 R373 A374I358-F376 HydrophobicContact CD1-CE1 3.95Å; I358-F376 HydrophobicContact CD1-CZ 3.99Å; I358-F376 HydrophobicContact CG1-CE1 4.3Å; I358-F376 HydrophobicContact CG1-CZ 3.97Å; R373-F376 PolarHBondContact O-N 3.19Å; R373-F376 VanDerWaalsContact O-N 3.08Å; A374-F376 PolarHBondContact O-N 2.99Å
377A86.8Confident88.2Confident80 Ų8053.3 Ų53.366%0.66127%0.274SS*.  trans-74.50172.700000112.4V300 F301 K357 R373 A374V300-A377 HydrophobicContact CG2-CB 4.21Å; F301-A377 HydrophobicContact CE2-CB 4.08Å; F301-A377 HydrophobicContact CZ-CB 3.75Å; K357-A377 PolarHBondContact NZ-O 3.47Å; R373-A377 PolarHBondContact O-N 2.81Å; A374-A377 PolarHBondContact O-N 2.76Å

Retrieved 377 of 377 residues in 786.4 ms (Link to these results)

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