A0A087Y511_POEFO Loading...

Large ribosomal subunit protein uL30

Component of the large ribosomal subunit. The ribosome is a large ribonucleoprotein complex responsible for the synthesis of proteins in the cell. Binds to G-rich structures in 28S rRNA and in mRNAs. Plays a regulatory role in the translation apparatus; inhibits cell-free translation of mRNAs.

AlphaFold DB , UniProt , Accession A0A087Y511, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 245 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
1M44.1Very low59.9Low246 Ų246148.2 Ų148.2100%1.21283%0.828SS**  0110.30-73.3-176.916600107.4
2A46.9Very low62.4Low100 Ų100142.1 Ų142.183%0.82680%0.799SS**  trans-130.1100.7172.700000106.3A4A2-A4 PolarHBondContact O-N 2.65Å; A2-A4 VanDerWaalsContact O-N 3.17Å
3D48.3Very low64.3Low162 Ų162141 Ų14187%0.86678%0.784SS**  trans-63.6110.7174.3-85.8-60.6000108.8E5D3-E5 PolarHBondContact O-N 3.19Å
4A57.7Low66.1Low94 Ų94137.2 Ų137.278%0.77777%0.772SS**  trans-68.8101.3168.800000108.2A2 K6A2-A4 PolarHBondContact O-N 2.65Å; A2-A4 VanDerWaalsContact O-N 3.17Å; A4-K6 PolarHBondContact O-N 2.94Å
5E61.7Low67.7Low189 Ų189132.5 Ų132.588%0.88374%0.743SS**  trans-52.1109.9171.9-86.7-174.914900109.9D3 K7D3-E5 PolarHBondContact O-N 3.19Å; E5-K7 PolarHBondContact O-N 3.36Å
6K56.3Low69.1Low200 Ų200130 Ų13087%0.8773%0.727SS**  trans-58.3104.7172.2-85.2176.7174.5171.40108.9A4 V8A4-K6 PolarHBondContact O-N 2.94Å; K6-V8 PolarHBondContact O-N 3.06Å
7K60.5Low70.4Confident210 Ų210130 Ų13091%0.91372%0.718SS**  trans-56.7100.5168.5-101.3177177.8172.30109.3E5E5-K7 PolarHBondContact O-N 3.36Å
8V64Low71.7Confident131 Ų131133.8 Ų133.879%0.79472%0.72SS**PPolyproline II helixtrans-58.6133.2174-135.40000108.1K6 S10K6-V8 PolarHBondContact O-N 3.06Å; V8-S10 PolarHBondContact O-N 3.17Å; V8-S10 VanDerWaalsContact O-N 3.12Å
9P65.9Low72.9Confident117 Ų117134.8 Ų134.876%0.7671%0.712SS**PPolyproline II helixtrans-58.5120.9-176.218.5-30.2000111V11P9-V11 PolarHBondContact O-N 3.29Å
10S75.1Confident74Confident116 Ų116136.6 Ų136.681%0.81171%0.713SS**PPolyproline II helixtrans-63.3121179.3177.60000109.9V8V8-S10 PolarHBondContact O-N 3.17Å; V8-S10 VanDerWaalsContact O-N 3.12Å
11V78.8Confident75Confident65 Ų65132.8 Ų132.839%0.39470%0.702SS.*PPolyproline II helixtrans-71.3129.4177.7-179.70000108.7P9 E13 L15 L16P9-V11 PolarHBondContact O-N 3.29Å; V11-E13 PolarHBondContact O-N 3.43Å; V11-L15 HydrophobicContact CG1-CB 4.13Å; V11-L15 HydrophobicContact CG1-CD2 3.47Å; V11-L15 VanDerWaalsContact CG1-CD2 3.47Å; V11-L15 HydrophobicContact CG1-CG 4.42Å; V11-L16 HydrophobicContact CG1-CD2 4.06Å; V11-L16 HydrophobicContact CG1-CG 4.14Å
12P89.8Confident77.4Confident75 Ų75129 Ų12949%0.48768%0.675SS.*PPolyproline II helixtrans-57.1134.6178.9-25.133.2000112.3S14 L15 L16P12-S14 PolarHBondContact O-N 3.34Å; P12-L15 HydrophobicContact CB-CB 4.42Å; P12-L15 WeakPolarHBondContact O-CA 3.46Å; P12-L15 VanDerWaalsContact O-CB 3.24Å; P12-L15 WeakPolarHBondContact O-CB 3.43Å; P12-L15 PolarHBondContact O-N 3.38Å; P12-L16 PolarHBondContact O-N 3.5Å
13E87.2Confident79.7Confident128 Ų128126.9 Ų126.960%0.59866%0.658SS**Hα-helixtrans-57.3-34.6179.8-165.4-165.9161.500112.3V11 L15 L16 K17V11-E13 PolarHBondContact O-N 3.43Å; E13-L15 VanDerWaalsContact C-N 3.28Å; E13-L15 PolarHBondContact O-N 2.93Å; E13-L16 PolarHBondContact O-N 2.95Å; E13-K17 PolarHBondContact O-N 2.9Å; E13-K17 WeakPolarHBondContact OE1-CE 3.5Å; E13-K17 IonicContact OE1-NZ 2.65Å; E13-K17 PolarHBondContact OE1-NZ 3.37Å; E13-K17 IonicContact OE2-NZ 3.98Å
14S89.9Confident82Confident88 Ų88121.7 Ų121.762%0.61564%0.637SS**Hα-helixtrans-59.1-37.3174.360.60000112.5P12 R18P12-S14 PolarHBondContact O-N 3.34Å; S14-R18 WeakPolarHBondContact O-CB 2.96Å; S14-R18 PolarHBondContact O-N 3.45Å
15L89.8Confident83.8Confident66 Ų66123 Ų12335%0.34663%0.629SS.*Hα-helixtrans-69.4-41.3176.6-162.993.3000111V11 P12 E13 R18 R19V11-L15 HydrophobicContact CG1-CB 4.13Å; V11-L15 HydrophobicContact CG1-CD2 3.47Å; V11-L15 VanDerWaalsContact CG1-CD2 3.47Å; V11-L15 HydrophobicContact CG1-CG 4.42Å; P12-L15 HydrophobicContact CB-CB 4.42Å; P12-L15 WeakPolarHBondContact O-CA 3.46Å; P12-L15 VanDerWaalsContact O-CB 3.24Å; P12-L15 WeakPolarHBondContact O-CB 3.43Å; P12-L15 PolarHBondContact O-N 3.38Å; E13-L15 VanDerWaalsContact C-N 3.28Å; E13-L15 PolarHBondContact O-N 2.93Å; L15-R18 PolarHBondContact O-N 3.03Å; L15-R19 WeakPolarHBondContact O-CB 3.4Å; L15-R19 VanDerWaalsContact O-CG 3.31Å; L15-R19 WeakPolarHBondContact O-CG 3.33Å; L15-R19 PolarHBondContact O-N 2.99Å
16L89.5Confident85.4Confident93 Ų93120.1 Ų120.149%0.48761%0.614SS.*Hα-helixtrans-64.1-45.5177.2-64.7176.4000111.3V11 P12 E13 R18 R19 K20V11-L16 HydrophobicContact CG1-CD2 4.06Å; V11-L16 HydrophobicContact CG1-CG 4.14Å; P12-L16 PolarHBondContact O-N 3.5Å; E13-L16 PolarHBondContact O-N 2.95Å; L16-R18 PolarHBondContact O-N 3.37Å; L16-R19 PolarHBondContact O-N 3.39Å; L16-K20 PolarHBondContact O-N 2.9Å
17K92.1Very high87.3Confident130 Ų130113.6 Ų113.657%0.56560%0.597SS**Hα-helixtrans-59.6-44.2174.2-72.6177.3-178.8165.10111.6E13 K20 A21E13-K17 PolarHBondContact O-N 2.9Å; E13-K17 WeakPolarHBondContact OE1-CE 3.5Å; E13-K17 IonicContact OE1-NZ 2.65Å; E13-K17 PolarHBondContact OE1-NZ 3.37Å; E13-K17 IonicContact OE2-NZ 3.98Å; K17-K20 PolarHBondContact O-N 2.94Å; K17-A21 WeakPolarHBondContact O-CB 3.49Å; K17-A21 PolarHBondContact O-N 3.37Å
18R94Very high89Confident199 Ų199109.5 Ų109.575%0.75158%0.582SS**Hα-helixtrans-63.5-42.6176.8-172.4176.3178.8-179.9-0.1112.5S14 L15 L16 A21 Y22S14-R18 WeakPolarHBondContact O-CB 2.96Å; S14-R18 PolarHBondContact O-N 3.45Å; L15-R18 PolarHBondContact O-N 3.03Å; L16-R18 PolarHBondContact O-N 3.37Å; R18-A21 PolarHBondContact O-N 3.01Å; R18-Y22 WeakPolarHBondContact O-CB 3.36Å; R18-Y22 PolarHBondContact O-N 3.29Å
19R94.1Very high90.5Very high152 Ų152112 Ų11257%0.57458%0.578SS**Hα-helixtrans-62.3-44.6176.3-76.1175.2177.3-176.3-0.2111.5L15 L16 Y22 A23L15-R19 WeakPolarHBondContact O-CB 3.4Å; L15-R19 VanDerWaalsContact O-CG 3.31Å; L15-R19 WeakPolarHBondContact O-CG 3.33Å; L15-R19 PolarHBondContact O-N 2.99Å; L16-R19 PolarHBondContact O-N 3.39Å; R19-Y22 PolarHBondContact O-N 2.99Å; R19-A23 WeakPolarHBondContact O-CB 3.24Å; R19-A23 PolarHBondContact O-N 3.32Å
20K94.8Very high91.9Very high170 Ų170110 Ų11074%0.73956%0.563SS**Hα-helixtrans-62.2-46.1176.9-170.4175.3-179.71780111.9L16 K17 A23 A24L16-K20 PolarHBondContact O-N 2.9Å; K17-K20 PolarHBondContact O-N 2.94Å; K20-A23 PolarHBondContact O-N 3.47Å; K20-A24 PolarHBondContact O-N 3.19Å
21A94.4Very high92.9Very high57 Ų57112.4 Ų112.447%0.47156%0.559SS.*Hα-helixtrans-61.9-43.5176.200000112.2K17 R18 A24 M25K17-A21 WeakPolarHBondContact O-CB 3.49Å; K17-A21 PolarHBondContact O-N 3.37Å; R18-A21 PolarHBondContact O-N 3.01Å; A21-A24 PolarHBondContact O-N 3.38Å; A21-M25 WeakPolarHBondContact O-CB 3.47Å; A21-M25 WeakPolarHBondContact O-CG 3.31Å; A21-M25 PolarHBondContact O-N 3.23Å
22Y95.3Very high93.7Very high166 Ų166115.7 Ų115.765%0.65157%0.568SS**Hα-helixtrans-64.5-41.9177.1-174.9-96.1000112.4R18 R19 A24 M25 K26R18-Y22 WeakPolarHBondContact O-CB 3.36Å; R18-Y22 PolarHBondContact O-N 3.29Å; R19-Y22 PolarHBondContact O-N 2.99Å; Y22-A24 PolarHBondContact O-N 3.28Å; Y22-M25 PolarHBondContact O-N 3.07Å; Y22-K26 HydrophobicContact CE1-CD 4.35Å; Y22-K26 VanDerWaalsContact O-CB 3.32Å; Y22-K26 WeakPolarHBondContact O-CB 3.48Å; Y22-K26 PolarHBondContact O-N 3.43Å
23A95.4Very high93.9Very high56 Ų56116.6 Ų116.646%0.46357%0.568SS.*Hα-helixtrans-61-44175.800000111.6R19 K20 K26 A27R19-A23 WeakPolarHBondContact O-CB 3.24Å; R19-A23 PolarHBondContact O-N 3.32Å; K20-A23 PolarHBondContact O-N 3.47Å; A23-K26 PolarHBondContact O-N 2.92Å; A23-A27 WeakPolarHBondContact O-CB 3.49Å; A23-A27 PolarHBondContact O-N 3.4Å
24A95.5Very high94.3Very high53 Ų53115.2 Ų115.244%0.43856%0.564SS.*Hα-helixtrans-61.9-46.6175.200000112.1K20 A21 Y22 K26 A27 M28K20-A24 PolarHBondContact O-N 3.19Å; A21-A24 PolarHBondContact O-N 3.38Å; Y22-A24 PolarHBondContact O-N 3.28Å; A24-K26 VanDerWaalsContact C-N 3.33Å; A24-K26 PolarHBondContact O-N 3.12Å; A24-A27 PolarHBondContact O-N 2.88Å; A24-M28 WeakPolarHBondContact O-CG 2.96Å; A24-M28 PolarHBondContact O-N 2.97Å
25M95.6Very high94.6Very high121 Ų121113.9 Ų113.960%0.59656%0.558SS**Hα-helixtrans-61.6-40.1176.3-73.2-64.4-72.100112.3A21 Y22 M28 R29A21-M25 WeakPolarHBondContact O-CB 3.47Å; A21-M25 WeakPolarHBondContact O-CG 3.31Å; A21-M25 PolarHBondContact O-N 3.23Å; Y22-M25 PolarHBondContact O-N 3.07Å; M25-M28 PolarHBondContact O-N 3.36Å; M25-M28 HydrophobicContact SD-CE 3.79Å; M25-R29 WeakPolarHBondContact O-CB 3.43Å; M25-R29 PolarHBondContact O-N 3.37Å
26K96.1Very high94.7Very high130 Ų130114.5 Ų114.557%0.56556%0.56SS**Hα-helixtrans-64.6-45.8175.9-172.6177.6179.5-178.30111Y22 A23 A24 M28 R29 V30Y22-K26 HydrophobicContact CE1-CD 4.35Å; Y22-K26 VanDerWaalsContact O-CB 3.32Å; Y22-K26 WeakPolarHBondContact O-CB 3.48Å; Y22-K26 PolarHBondContact O-N 3.43Å; A23-K26 PolarHBondContact O-N 2.92Å; A24-K26 VanDerWaalsContact C-N 3.33Å; A24-K26 PolarHBondContact O-N 3.12Å; K26-M28 PolarHBondContact O-N 2.93Å; K26-R29 PolarHBondContact O-N 2.97Å; K26-V30 WeakPolarHBondContact O-CG2 3.32Å; K26-V30 PolarHBondContact O-N 3.27Å
27A95.4Very high95Very high62 Ų62117.5 Ų117.551%0.51257%0.569SS.*Hα-helixtrans-60.4-45.7176.700000111.8A23 A24 R29 V30 K31A23-A27 WeakPolarHBondContact O-CB 3.49Å; A23-A27 PolarHBondContact O-N 3.4Å; A24-A27 PolarHBondContact O-N 2.88Å; A27-R29 PolarHBondContact O-N 2.99Å; A27-V30 PolarHBondContact O-N 3.35Å; A27-K31 WeakPolarHBondContact O-CB 3.37Å; A27-K31 PolarHBondContact O-N 2.93Å
28M95.8Very high95.1Very high124 Ų124118.8 Ų118.861%0.61157%0.574SS**Hα-helixtrans-60.8-43.1174.8-73.1-151.7-71.700112.4A24 M25 K26 K31 K32A24-M28 WeakPolarHBondContact O-CG 2.96Å; A24-M28 PolarHBondContact O-N 2.97Å; M25-M28 PolarHBondContact O-N 3.36Å; M25-M28 HydrophobicContact SD-CE 3.79Å; K26-M28 PolarHBondContact O-N 2.93Å; M28-K31 PolarHBondContact O-N 3.25Å; M28-K32 WeakPolarHBondContact O-CB 3.43Å; M28-K32 PolarHBondContact O-N 3.5Å
29R95.3Very high95Very high184 Ų184111.9 Ų111.969%0.69456%0.56SS**Hα-helixtrans-62.3-44.2177.6-173.2176.3-179.2179.1-0.3111.8M25 K26 A27 K32 L33M25-R29 WeakPolarHBondContact O-CB 3.43Å; M25-R29 PolarHBondContact O-N 3.37Å; K26-R29 PolarHBondContact O-N 2.97Å; A27-R29 PolarHBondContact O-N 2.99Å; R29-K32 PolarHBondContact O-N 2.9Å; R29-L33 HydrophobicContact CG-CD1 4.2Å; R29-L33 VanDerWaalsContact O-CG 3.28Å; R29-L33 WeakPolarHBondContact O-CG 3.27Å; R29-L33 PolarHBondContact O-N 2.93Å
30V95.8Very high94.9Very high75 Ų75112.8 Ų112.846%0.45556%0.563SS.*Hα-helixtrans-63.3-45.6177.21730000110.7K26 A27 K32 L33 L34K26-V30 WeakPolarHBondContact O-CG2 3.32Å; K26-V30 PolarHBondContact O-N 3.27Å; A27-V30 PolarHBondContact O-N 3.35Å; V30-K32 VanDerWaalsContact C-N 3.33Å; V30-K32 PolarHBondContact O-N 3.34Å; V30-L33 PolarHBondContact O-N 2.93Å; V30-L34 HydrophobicContact CG1-CD1 4.13Å; V30-L34 WeakPolarHBondContact O-CG 3.32Å; V30-L34 PolarHBondContact O-N 3.46Å
31K95.9Very high95Very high167 Ų167112.7 Ų112.773%0.72656%0.563SS**Hα-helixtrans-58.2-44.4176.3-171.3176.7179.8178.90111.6A27 M28 L34 A35A27-K31 WeakPolarHBondContact O-CB 3.37Å; A27-K31 PolarHBondContact O-N 2.93Å; M28-K31 PolarHBondContact O-N 3.25Å; K31-L34 PolarHBondContact O-N 3.5Å; K31-A35 PolarHBondContact O-N 2.9Å; K31-A35 VanDerWaalsContact O-N 3.07Å
32K95.6Very high95Very high133 Ų133115 Ų11558%0.57857%0.571SS**Hα-helixtrans-62.6-46.4176.6-177.2173.9175.5174.90112.2M28 R29 V30 L34 A35 E36M28-K32 WeakPolarHBondContact O-CB 3.43Å; M28-K32 PolarHBondContact O-N 3.5Å; R29-K32 PolarHBondContact O-N 2.9Å; V30-K32 VanDerWaalsContact C-N 3.33Å; V30-K32 PolarHBondContact O-N 3.34Å; K32-L34 VanDerWaalsContact C-N 3.33Å; K32-L34 PolarHBondContact O-N 2.84Å; K32-A35 PolarHBondContact O-N 3.24Å; K32-E36 WeakPolarHBondContact CE-OE1 3.48Å; K32-E36 HydrophobicContact CG-CG 4.42Å; K32-E36 WeakPolarHBondContact O-CB 3.39Å; K32-E36 WeakPolarHBondContact O-CG 3.45Å; K32-E36 PolarHBondContact O-N 3.12Å
33L95.1Very high95Very high94 Ų94109.4 Ų109.449%0.49255%0.554SS.*Hα-helixtrans-61.4-40.1178.1-72.9171.1000112.3R29 V30 E36 K37R29-L33 HydrophobicContact CG-CD1 4.2Å; R29-L33 VanDerWaalsContact O-CG 3.28Å; R29-L33 WeakPolarHBondContact O-CG 3.27Å; R29-L33 PolarHBondContact O-N 2.93Å; V30-L33 PolarHBondContact O-N 2.93Å; L33-E36 PolarHBondContact O-N 3.2Å; L33-K37 VanDerWaalsContact O-CB 3.32Å; L33-K37 WeakPolarHBondContact O-CB 3.13Å; L33-K37 PolarHBondContact O-N 3.42Å
34L95.8Very high94.9Very high100 Ų100116 Ų11652%0.52457%0.567SS.*Hα-helixtrans-64.7-42.6176-71.4173000111.8V30 K31 K32 K37 K38V30-L34 HydrophobicContact CG1-CD1 4.13Å; V30-L34 WeakPolarHBondContact O-CG 3.32Å; V30-L34 PolarHBondContact O-N 3.46Å; K31-L34 PolarHBondContact O-N 3.5Å; K32-L34 VanDerWaalsContact C-N 3.33Å; K32-L34 PolarHBondContact O-N 2.84Å; L34-K37 PolarHBondContact O-N 3.38Å; L34-K38 WeakPolarHBondContact O-CG 3.38Å; L34-K38 PolarHBondContact O-N 2.84Å; L34-K38 VanDerWaalsContact O-N 3.09Å
35A94.8Very high94.9Very high59 Ų59120.7 Ų120.749%0.48858%0.577SS.*Hα-helixtrans-63.2-46.9175.400000111.8K31 K32 K37 K38 A39K31-A35 PolarHBondContact O-N 2.9Å; K31-A35 VanDerWaalsContact O-N 3.07Å; K32-A35 PolarHBondContact O-N 3.24Å; A35-K37 VanDerWaalsContact C-N 3.33Å; A35-K37 PolarHBondContact O-N 2.95Å; A35-K38 PolarHBondContact O-N 3.5Å; A35-A39 PolarHBondContact O-N 2.94Å
36E93.1Very high95Very high80 Ų80118.7 Ų118.737%0.37457%0.569SS.*Hα-helixtrans-61.1-39.5176.6-74176.4-178.200112.1K32 L33 A39 R40K32-E36 WeakPolarHBondContact CE-OE1 3.48Å; K32-E36 HydrophobicContact CG-CG 4.42Å; K32-E36 WeakPolarHBondContact O-CB 3.39Å; K32-E36 WeakPolarHBondContact O-CG 3.45Å; K32-E36 PolarHBondContact O-N 3.12Å; L33-E36 PolarHBondContact O-N 3.2Å; E36-A39 PolarHBondContact O-N 3.23Å; E36-R40 VanDerWaalsContact O-CB 3.27Å; E36-R40 WeakPolarHBondContact O-CB 3.38Å; E36-R40 PolarHBondContact O-N 3.41Å
37K94.4Very high95Very high156 Ų156114.1 Ų114.168%0.67855%0.55SS**Hα-helixtrans-63-43.4176.2-174.1178.2-179.4179.70111.5L33 L34 A35 R40 K41L33-K37 VanDerWaalsContact O-CB 3.32Å; L33-K37 WeakPolarHBondContact O-CB 3.13Å; L33-K37 PolarHBondContact O-N 3.42Å; L34-K37 PolarHBondContact O-N 3.38Å; A35-K37 VanDerWaalsContact C-N 3.33Å; A35-K37 PolarHBondContact O-N 2.95Å; K37-R40 PolarHBondContact O-N 3.44Å; K37-K41 PolarHBondContact O-N 2.9Å; K37-K41 VanDerWaalsContact O-N 3.13Å
38K95.2Very high95Very high156 Ų156118.8 Ų118.868%0.67856%0.556SS**Hα-helixtrans-62.6-49.1175.5-72.4-179.9-178.8-175.30110.9L34 A35 R40 K41 V42L34-K38 WeakPolarHBondContact O-CG 3.38Å; L34-K38 PolarHBondContact O-N 2.84Å; L34-K38 VanDerWaalsContact O-N 3.09Å; A35-K38 PolarHBondContact O-N 3.5Å; K38-R40 PolarHBondContact O-N 3.31Å; K38-K41 PolarHBondContact O-N 3.41Å; K38-V42 PolarHBondContact O-N 3.16Å
39A92.8Very high95.1Very high54 Ų54118.2 Ų118.245%0.44655%0.549SS..Hα-helixtrans-58.5-45.6177.500000111.9A35 E36 K41 V42 T43A35-A39 PolarHBondContact O-N 2.94Å; E36-A39 PolarHBondContact O-N 3.23Å; A39-K41 VanDerWaalsContact C-N 3.29Å; A39-K41 PolarHBondContact O-N 2.87Å; A39-V42 PolarHBondContact O-N 3.18Å; A39-V42 VanDerWaalsContact O-N 3.12Å; A39-T43 WeakPolarHBondContact O-CG2 3.49Å; A39-T43 PolarHBondContact O-N 3.48Å; A39-T43 PolarHBondContact O-OG1 3.09Å
40R91.9Very high95.2Very high171 Ų171112.7 Ų112.765%0.64553%0.529SS*.Hα-helixtrans-60.9-35.3178.4-168.5-179.3-65.6163.42.3112.9E36 K37 K38 T43 R44E36-R40 VanDerWaalsContact O-CB 3.27Å; E36-R40 WeakPolarHBondContact O-CB 3.38Å; E36-R40 PolarHBondContact O-N 3.41Å; K37-R40 PolarHBondContact O-N 3.44Å; K38-R40 PolarHBondContact O-N 3.31Å; R40-T43 WeakPolarHBondContact CA-OG1 3.28Å; R40-T43 PolarHBondContact O-OG1 2.88Å; R40-R44 WeakPolarHBondContact O-CB 3.34Å; R40-R44 PolarHBondContact O-N 2.94Å
41K94.9Very high95.3Very high169 Ų169110.6 Ų110.674%0.73552%0.519SS*.Hα-helixtrans-65.4-43.3175.6-171.6178.3179.5-179.10111.1K37 K38 A39 K45K37-K41 PolarHBondContact O-N 2.9Å; K37-K41 VanDerWaalsContact O-N 3.13Å; K38-K41 PolarHBondContact O-N 3.41Å; A39-K41 VanDerWaalsContact C-N 3.29Å; A39-K41 PolarHBondContact O-N 2.87Å; K41-K45 PolarHBondContact O-N 2.93Å; K41-K45 VanDerWaalsContact O-N 3.16Å
42V95.7Very high95.4Very high105 Ų105107.3 Ų107.364%0.63651%0.506SS*.Hα-helixtrans-65-49.5177.5177.60000110.7K38 A39 R44 K45 L46K38-V42 PolarHBondContact O-N 3.16Å; A39-V42 PolarHBondContact O-N 3.18Å; A39-V42 VanDerWaalsContact O-N 3.12Å; V42-R44 VanDerWaalsContact C-N 3.35Å; V42-R44 PolarHBondContact O-N 3.41Å; V42-K45 PolarHBondContact O-N 3.21Å; V42-L46 PolarHBondContact O-N 2.6Å
43T93.9Very high95.5Very high48 Ų48107.6 Ų107.629%0.29451%0.508SS..Hα-helixtrans-63.5-39.318058.10000112A39 R40 K45 L46 I47A39-T43 WeakPolarHBondContact O-CG2 3.49Å; A39-T43 PolarHBondContact O-N 3.48Å; A39-T43 PolarHBondContact O-OG1 3.09Å; R40-T43 WeakPolarHBondContact CA-OG1 3.28Å; R40-T43 PolarHBondContact O-OG1 2.88Å; T43-K45 PolarHBondContact O-N 3.4Å; T43-L46 WeakPolarHBondContact O-CB 3.35Å; T43-L46 PolarHBondContact O-N 2.99Å; T43-I47 VanDerWaalsContact O-CG1 3.28Å; T43-I47 WeakPolarHBondContact O-CG1 3.44Å; T43-I47 PolarHBondContact O-N 3.22Å
44R94.3Very high95.6Very high194 Ų194104.6 Ų104.673%0.73249%0.49SS*.Hα-helixtrans-61.4-41.7175.2-172.9176-178.4-179.91.2112.4R40 V42 L46 I47 Y48R40-R44 WeakPolarHBondContact O-CB 3.34Å; R40-R44 PolarHBondContact O-N 2.94Å; V42-R44 VanDerWaalsContact C-N 3.35Å; V42-R44 PolarHBondContact O-N 3.41Å; R44-L46 VanDerWaalsContact C-N 3.34Å; R44-I47 PolarHBondContact O-N 3.02Å; R44-Y48 WeakPolarHBondContact O-CB 3.48Å; R44-Y48 PolarHBondContact O-N 3.44Å
45K96.4Very high95.7Very high153 Ų153103.7 Ų103.767%0.66548%0.483SS*.Hα-helixtrans-63.5-41.6175.9-170178.6-178.4-178.40111.1K41 V42 T43 Y48 K49K41-K45 PolarHBondContact O-N 2.93Å; K41-K45 VanDerWaalsContact O-N 3.16Å; V42-K45 PolarHBondContact O-N 3.21Å; T43-K45 PolarHBondContact O-N 3.4Å; K45-Y48 PolarHBondContact O-N 3.48Å; K45-K49 WeakPolarHBondContact O-CG 3.28Å; K45-K49 PolarHBondContact O-N 3.11Å; K45-K49 VanDerWaalsContact O-N 3.11Å
46L96.4Very high95.8Very high79 Ų79107.2 Ų107.241%0.41449%0.487SS..Hα-helixtrans-61.7-49.6175.617966.1000111.9V42 T43 R44 Y48 K49 R50 I182V42-L46 PolarHBondContact O-N 2.6Å; T43-L46 WeakPolarHBondContact O-CB 3.35Å; T43-L46 PolarHBondContact O-N 2.99Å; R44-L46 VanDerWaalsContact C-N 3.34Å; L46-Y48 VanDerWaalsContact C-N 3.31Å; L46-Y48 PolarHBondContact O-N 2.92Å; L46-K49 PolarHBondContact O-N 3.45Å; L46-R50 HydrophobicContact CD1-CG 4.5Å; L46-R50 WeakPolarHBondContact O-CG 3.31Å; L46-R50 PolarHBondContact O-N 2.87Å; L46-I182 HydrophobicContact CD2-CD1 4.02Å
47I95.8Very high96Very high34 Ų34106.2 Ų106.217%0.17448%0.483CS..Hα-helixtrans-57.8-45.4179-70.6165.4000110.6T43 R44 K49 R50 A51 I182 C183T43-I47 VanDerWaalsContact O-CG1 3.28Å; T43-I47 WeakPolarHBondContact O-CG1 3.44Å; T43-I47 PolarHBondContact O-N 3.22Å; R44-I47 PolarHBondContact O-N 3.02Å; I47-K49 PolarHBondContact O-N 3.21Å; I47-R50 PolarHBondContact O-N 3.16Å; I47-A51 PolarHBondContact O-N 3.29Å; I47-I182 HydrophobicContact CD1-CD1 4.22Å; I47-I182 HydrophobicContact CG1-CD1 3.58Å; I47-I182 HydrophobicContact CG1-CG1 4.07Å; I47-C183 HydrophobicContact CD1-CB 4.04Å; I47-C183 HydrophobicContact CG1-CB 4.05Å; I47-C183 HydrophobicContact CG2-CB 3.86Å
48Y97.1Very high96.2Very high160 Ų16099.6 Ų99.663%0.62745%0.454SS*.Hα-helixtrans-59.4-46.7178-178.1-91.7000111.8R44 K45 L46 R50 A51 E52R44-Y48 WeakPolarHBondContact O-CB 3.48Å; R44-Y48 PolarHBondContact O-N 3.44Å; K45-Y48 PolarHBondContact O-N 3.48Å; L46-Y48 VanDerWaalsContact C-N 3.31Å; L46-Y48 PolarHBondContact O-N 2.92Å; Y48-R50 PolarHBondContact O-N 3.42Å; Y48-A51 PolarHBondContact O-N 2.71Å; Y48-E52 PolarHBondContact O-N 3.12Å
49K97.8Very high96.3Very high111 Ų11199.2 Ų99.248%0.48345%0.448SS..Hα-helixtrans-66-34.9178.4-72.4-63.8178.8-171.60113.3K45 L46 I47 E52 K53K45-K49 WeakPolarHBondContact O-CG 3.28Å; K45-K49 PolarHBondContact O-N 3.11Å; K45-K49 VanDerWaalsContact O-N 3.11Å; L46-K49 PolarHBondContact O-N 3.45Å; I47-K49 PolarHBondContact O-N 3.21Å; K49-E52 VanDerWaalsContact CD-OE2 3.31Å; K49-E52 WeakPolarHBondContact CD-OE2 3.43Å; K49-E52 IonicContact NZ-OE2 3.56Å; K49-E52 PolarHBondContact NZ-OE2 3.17Å; K49-K53 PolarHBondContact O-N 3.42Å
50R97.1Very high96.5Very high69 Ų69101.9 Ų101.926%0.2645%0.451SS..Hα-helixtrans-64.7-46.3172.2-72.8-178.6178.3-165.4-2.9111.8L46 I47 Y48 E52 K53 Y54 G180 D186L46-R50 HydrophobicContact CD1-CG 4.5Å; L46-R50 WeakPolarHBondContact O-CG 3.31Å; L46-R50 PolarHBondContact O-N 2.87Å; I47-R50 PolarHBondContact O-N 3.16Å; Y48-R50 PolarHBondContact O-N 3.42Å; R50-E52 VanDerWaalsContact C-N 3.32Å; R50-E52 PolarHBondContact O-N 2.95Å; R50-K53 WeakPolarHBondContact O-CB 3.34Å; R50-K53 PolarHBondContact O-N 3.14Å; R50-K53 VanDerWaalsContact O-N 3.14Å; R50-Y54 HydrophobicContact CB-CE2 4.04Å; R50-Y54 VanDerWaalsContact O-CD2 3.3Å; R50-Y54 WeakPolarHBondContact O-CD2 3.21Å; R50-Y54 VanDerWaalsContact O-CG 3.31Å; R50-Y54 PolarHBondContact O-N 3.44Å; R50-G180 PolarHBondContact NH1-O 3.31Å; R50-D186 IonicContact NH1-OD1 3.86Å; R50-D186 IonicContact NH1-OD2 2.99Å; R50-D186 PolarHBondContact NH1-OD2 3.13Å
51A96.8Very high96.7Very high30 Ų3097.2 Ų97.225%0.24844%0.437CS..Hα-helixtrans-60.3-41.9177.500000112.1I47 Y48 K53 Y54 H55 E185I47-A51 PolarHBondContact O-N 3.29Å; Y48-A51 PolarHBondContact O-N 2.71Å; A51-K53 PolarHBondContact O-N 2.93Å; A51-Y54 PolarHBondContact O-N 2.75Å; A51-H55 WeakPolarHBondContact O-CB 3.11Å; A51-H55 PolarHBondContact O-N 3.42Å; A51-E185 HydrophobicContact CB-CB 4.4Å; A51-E185 HydrophobicContact CB-CG 4.21Å
52E97.7Very high96.7Very high99 Ų9997 Ų9746%0.46343%0.433SS..Hα-helixtrans-58.1-46.4173.3-174.9-178-174.600111.5Y48 K49 R50 H55 K56Y48-E52 PolarHBondContact O-N 3.12Å; K49-E52 VanDerWaalsContact CD-OE2 3.31Å; K49-E52 WeakPolarHBondContact CD-OE2 3.43Å; K49-E52 IonicContact NZ-OE2 3.56Å; K49-E52 PolarHBondContact NZ-OE2 3.17Å; R50-E52 VanDerWaalsContact C-N 3.32Å; R50-E52 PolarHBondContact O-N 2.95Å; E52-H55 PolarHBondContact O-N 3.24Å; E52-K56 PolarHBondContact O-N 3.19Å; E52-K56 VanDerWaalsContact O-N 3.07Å
53K97.9Very high96.8Very high139 Ų139100.5 Ų100.560%0.60444%0.435SS*.Hα-helixtrans-59.9-49.7176.5-177.9-174.8174.8-175.10111.9K49 R50 A51 H55 K56 E57K49-K53 PolarHBondContact O-N 3.42Å; R50-K53 WeakPolarHBondContact O-CB 3.34Å; R50-K53 PolarHBondContact O-N 3.14Å; R50-K53 VanDerWaalsContact O-N 3.14Å; A51-K53 PolarHBondContact O-N 2.93Å; K53-H55 VanDerWaalsContact C-N 3.31Å; K53-H55 PolarHBondContact O-N 3.33Å; K53-K56 WeakPolarHBondContact O-CB 3.13Å; K53-K56 PolarHBondContact O-N 3.13Å; K53-E57 WeakPolarHBondContact O-CB 3.27Å; K53-E57 PolarHBondContact O-N 3.03Å
54Y97.8Very high96.9Very high30 Ų30104.1 Ų104.112%0.11844%0.443CS..Hα-helixtrans-62.8-39.3-179.6-58.3-36.1000112R50 A51 K56 E57 Y58 D186 H189R50-Y54 HydrophobicContact CB-CE2 4.04Å; R50-Y54 VanDerWaalsContact O-CD2 3.3Å; R50-Y54 WeakPolarHBondContact O-CD2 3.21Å; R50-Y54 VanDerWaalsContact O-CG 3.31Å; R50-Y54 PolarHBondContact O-N 3.44Å; A51-Y54 PolarHBondContact O-N 2.75Å; Y54-K56 VanDerWaalsContact C-N 3.33Å; Y54-K56 PolarHBondContact O-N 2.88Å; Y54-E57 WeakPolarHBondContact O-CB 3.38Å; Y54-E57 PolarHBondContact O-N 3.21Å; Y54-Y58 WeakPolarHBondContact O-CD2 3.17Å; Y54-Y58 PolarHBondContact O-N 3.41Å; Y54-D186 WeakPolarHBondContact CE2-OD1 3.28Å; Y54-D186 VanDerWaalsContact CZ-OD1 3.26Å; Y54-D186 PolarHBondContact OH-OD1 2.93Å; Y54-H189 HydrophobicContact CD1-CB 4.35Å; Y54-H189 AromaticContact CD1-CD2 3.9Å; Y54-H189 AromaticContact CD1-CE1 3.64Å; Y54-H189 AromaticContact CD1-CG 3.67Å; Y54-H189 AromaticContact CD1-ND1 3.52Å; Y54-H189 AromaticContact CD1-NE2 3.9Å; Y54-H189 HydrophobicContact CD2-CB 4.05Å; Y54-H189 HydrophobicContact CE1-CB 4.37Å; Y54-H189 AromaticContact CE1-CD2 3.58Å; Y54-H189 AromaticContact CE1-CG 3.74Å; Y54-H189 AromaticContact CE1-NE2 3.78Å; Y54-H189 HydrophobicContact CE2-CB 4.07Å; Y54-H189 HydrophobicContact CG-CB 4.21Å; Y54-H189 AromaticContact CG-CG 3.96Å; Y54-H189 AromaticContact CG-ND1 3.83Å
55H96.9Very high96.9Very high82 Ų8297.2 Ų97.238%0.3842%0.419SS..Hα-helixtrans-61.2-42.9175.7-176.465.5000112.3A51 E52 K53 R59A51-H55 WeakPolarHBondContact O-CB 3.11Å; A51-H55 PolarHBondContact O-N 3.42Å; E52-H55 PolarHBondContact O-N 3.24Å; K53-H55 VanDerWaalsContact C-N 3.31Å; K53-H55 PolarHBondContact O-N 3.33Å; H55-R59 PolarHBondContact CE1-NE 2.81Å; H55-R59 PolarHBondContact NE2-NE 3.33Å; H55-R59 VanDerWaalsContact NE2-NE 3.15Å; H55-R59 PolarHBondContact NE2-NH2 2.92Å; H55-R59 VanDerWaalsContact NE2-NH2 3.18Å; H55-R59 WeakPolarHBondContact O-CG 3.38Å; H55-R59 PolarHBondContact O-N 2.91Å
56K98.1Very high96.9Very high132 Ų13292.6 Ų92.657%0.57440%0.401SS*.Hα-helixtrans-60.9-45.9173.4-176.5178.5179179.10111E52 K53 Y54 R59 Q60E52-K56 PolarHBondContact O-N 3.19Å; E52-K56 VanDerWaalsContact O-N 3.07Å; K53-K56 WeakPolarHBondContact O-CB 3.13Å; K53-K56 PolarHBondContact O-N 3.13Å; Y54-K56 VanDerWaalsContact C-N 3.33Å; Y54-K56 PolarHBondContact O-N 2.88Å; K56-R59 PolarHBondContact O-N 3.07Å; K56-Q60 WeakPolarHBondContact O-CB 3.28Å; K56-Q60 VanDerWaalsContact O-CG 3.31Å; K56-Q60 WeakPolarHBondContact O-CG 3.16Å; K56-Q60 PolarHBondContact O-N 3.38Å
57E97.9Very high97Very high60 Ų6096.4 Ų96.428%0.2841%0.41SS..Hα-helixtrans-59.6-49.4178.9-174.3-179164.100112K53 Y54 R59 Q60 M61 H189K53-E57 WeakPolarHBondContact O-CB 3.27Å; K53-E57 PolarHBondContact O-N 3.03Å; Y54-E57 WeakPolarHBondContact O-CB 3.38Å; Y54-E57 PolarHBondContact O-N 3.21Å; E57-R59 VanDerWaalsContact C-N 3.32Å; E57-R59 PolarHBondContact O-N 3.4Å; E57-Q60 WeakPolarHBondContact O-CB 3.28Å; E57-Q60 PolarHBondContact O-N 3.14Å; E57-Q60 VanDerWaalsContact O-N 3.1Å; E57-M61 HydrophobicContact CG-SD 4.31Å; E57-M61 WeakPolarHBondContact O-CG 3.39Å; E57-M61 PolarHBondContact O-N 3.41Å; E57-H189 IonicContact OE1-CE1 3.36Å; E57-H189 IonicContact OE2-CE1 3.89Å; E57-H189 PolarHBondContact OE2-CE1 3.2Å; E57-H189 IonicContact OE2-NE2 3.51Å
58Y97.4Very high97Very high17 Ų1797.9 Ų97.97%0.06742%0.417CS..Hα-helixtrans-59.9-41.9178.3-59.8-38.9000112.5Y54 Q60 M61 Y62 L144 H189 Y192 T193Y54-Y58 WeakPolarHBondContact O-CD2 3.17Å; Y54-Y58 PolarHBondContact O-N 3.41Å; Y58-Q60 VanDerWaalsContact C-N 3.34Å; Y58-M61 PolarHBondContact O-N 2.99Å; Y58-Y62 WeakPolarHBondContact O-CB 3.42Å; Y58-Y62 PolarHBondContact O-N 3.46Å; Y58-L144 HydrophobicContact CD1-CD2 4.25Å; Y58-L144 HydrophobicContact CD2-CD1 4.24Å; Y58-L144 HydrophobicContact CD2-CD2 3.35Å; Y58-L144 HydrophobicContact CD2-CG 4.44Å; Y58-L144 HydrophobicContact CE1-CD1 4.28Å; Y58-L144 HydrophobicContact CE2-CD1 3.85Å; Y58-L144 HydrophobicContact CE2-CD2 3.82Å; Y58-L144 HydrophobicContact CE2-CG 4.49Å; Y58-L144 HydrophobicContact CG-CD2 3.6Å; Y58-H189 AromaticContact CE1-ND1 3.59Å; Y58-H189 AromaticContact CZ-ND1 3.55Å; Y58-H189 WeakPolarHBondContact OH-CA 3.24Å; Y58-H189 VanDerWaalsContact OH-CB 3.24Å; Y58-H189 WeakPolarHBondContact OH-CB 3.32Å; Y58-H189 PolarHBondContact OH-ND1 2.91Å; Y58-Y192 HydrophobicContact CD1-CD1 4.14Å; Y58-Y192 HydrophobicContact CD1-CE1 4.12Å; Y58-Y192 AromaticContact CE1-CD1 3.73Å; Y58-Y192 HydrophobicContact CE1-CD1 3.73Å; Y58-Y192 HydrophobicContact CE1-CE1 4.19Å; Y58-T193 HydrophobicContact CE1-CG2 4.4Å
59R97.1Very high97Very high147 Ų14793 Ų9356%0.55541%0.406SS*.Hα-helixtrans-63.3-41.8175.3-75.8-178.8169.7-176.60.2111.6H55 K56 E57 R63H55-R59 PolarHBondContact CE1-NE 2.81Å; H55-R59 PolarHBondContact NE2-NE 3.33Å; H55-R59 VanDerWaalsContact NE2-NE 3.15Å; H55-R59 PolarHBondContact NE2-NH2 2.92Å; H55-R59 VanDerWaalsContact NE2-NH2 3.18Å; H55-R59 WeakPolarHBondContact O-CG 3.38Å; H55-R59 PolarHBondContact O-N 2.91Å; K56-R59 PolarHBondContact O-N 3.07Å; E57-R59 VanDerWaalsContact C-N 3.32Å; E57-R59 PolarHBondContact O-N 3.4Å; R59-R63 WeakPolarHBondContact O-CB 3.2Å; R59-R63 WeakPolarHBondContact O-CG 3.45Å; R59-R63 PolarHBondContact O-N 3.29Å
60Q97.6Very high96.9Very high111 Ų11196.5 Ų96.552%0.51942%0.417SS..Hα-helixtrans-65.9-44.7177.8-75.4177.4-20.200111.6K56 E57 Y58 Y62 R63 R64K56-Q60 WeakPolarHBondContact O-CB 3.28Å; K56-Q60 VanDerWaalsContact O-CG 3.31Å; K56-Q60 WeakPolarHBondContact O-CG 3.16Å; K56-Q60 PolarHBondContact O-N 3.38Å; E57-Q60 WeakPolarHBondContact O-CB 3.28Å; E57-Q60 PolarHBondContact O-N 3.14Å; E57-Q60 VanDerWaalsContact O-N 3.1Å; Y58-Q60 VanDerWaalsContact C-N 3.34Å; Q60-Y62 PolarHBondContact O-N 3.49Å; Q60-R63 PolarHBondContact O-N 3.06Å; Q60-R64 WeakPolarHBondContact O-CB 3.44Å; Q60-R64 PolarHBondContact O-N 3.46Å
61M95.4Very high97Very high72 Ų7298.9 Ų98.936%0.35543%0.432SS..Hα-helixtrans-56.5-50.5175.4-71.7177.869.600111.1E57 Y58 R63 R64 E65E57-M61 HydrophobicContact CG-SD 4.31Å; E57-M61 WeakPolarHBondContact O-CG 3.39Å; E57-M61 PolarHBondContact O-N 3.41Å; Y58-M61 PolarHBondContact O-N 2.99Å; M61-R63 PolarHBondContact O-N 3.29Å; M61-R64 WeakPolarHBondContact O-CB 3.5Å; M61-R64 PolarHBondContact O-N 2.83Å; M61-E65 PolarHBondContact O-N 2.95Å; M61-E65 VanDerWaalsContact O-N 3.11Å
62Y95.3Very high97Very high164 Ų16498.3 Ų98.364%0.64343%0.427SS*.Hα-helixtrans-61.3-47.2179.7-178.6-105.3000112.6Y58 Q60 R64 E65 I66Y58-Y62 WeakPolarHBondContact O-CB 3.42Å; Y58-Y62 PolarHBondContact O-N 3.46Å; Q60-Y62 PolarHBondContact O-N 3.49Å; Y62-R64 VanDerWaalsContact C-N 3.3Å; Y62-R64 PolarHBondContact O-N 2.99Å; Y62-E65 PolarHBondContact O-N 3.3Å; Y62-I66 HydrophobicContact CD1-CD1 3.9Å; Y62-I66 HydrophobicContact CE1-CD1 3.37Å; Y62-I66 HydrophobicContact CE2-CD1 4.3Å; Y62-I66 PolarHBondContact O-N 2.95Å
63R97.2Very high96.9Very high180 Ų180103.8 Ų103.868%0.67944%0.443SS*.Hα-helixtrans-65-34.5177.4-73.6-179.5177.2-173.9-1.7112.3R59 Q60 M61 I66 R67R59-R63 WeakPolarHBondContact O-CB 3.2Å; R59-R63 WeakPolarHBondContact O-CG 3.45Å; R59-R63 PolarHBondContact O-N 3.29Å; Q60-R63 PolarHBondContact O-N 3.06Å; M61-R63 PolarHBondContact O-N 3.29Å; R63-I66 PolarHBondContact O-N 3.25Å; R63-R67 WeakPolarHBondContact O-CB 3.45Å; R63-R67 PolarHBondContact O-N 2.91Å
64R96.8Very high96.8Very high124 Ų124106.2 Ų106.247%0.46845%0.454SS..Hα-helixtrans-63-48.9178.1-172.8-17576.5179.95.4110.7Q60 M61 Y62 I66 R67 M68Q60-R64 WeakPolarHBondContact O-CB 3.44Å; Q60-R64 PolarHBondContact O-N 3.46Å; M61-R64 WeakPolarHBondContact O-CB 3.5Å; M61-R64 PolarHBondContact O-N 2.83Å; Y62-R64 VanDerWaalsContact C-N 3.3Å; Y62-R64 PolarHBondContact O-N 2.99Å; R64-I66 PolarHBondContact O-N 3.42Å; R64-R67 PolarHBondContact O-N 3.03Å; R64-M68 HydrophobicContact CG-CG 4.4Å; R64-M68 WeakPolarHBondContact O-CG 3.4Å; R64-M68 PolarHBondContact O-N 3.41Å
65E95.3Very high96.8Very high48 Ų48109.6 Ų109.622%0.22448%0.477CS..Hα-helixtrans-57.4-47.9177.7-66.3-55.3134.700111.2M61 Y62 R67 M68 S69 Y79M61-E65 PolarHBondContact O-N 2.95Å; M61-E65 VanDerWaalsContact O-N 3.11Å; Y62-E65 PolarHBondContact O-N 3.3Å; E65-R67 VanDerWaalsContact C-N 3.32Å; E65-R67 PolarHBondContact O-N 3.09Å; E65-M68 PolarHBondContact O-N 3.08Å; E65-S69 PolarHBondContact O-N 3.49Å; E65-S69 PolarHBondContact O-OG 3.35Å; E65-Y79 PolarHBondContact OE1-OH 3.16Å; E65-Y79 WeakPolarHBondContact OE2-CE1 3.09Å; E65-Y79 PolarHBondContact OE2-OH 3.11Å
66I96.5Very high96.7Very high57 Ų57108.4 Ų108.429%0.29249%0.487SS..Hα-helixtrans-58.3-44.3176.7-67.4170.1000111.7Y62 R63 R64 S69 R70Y62-I66 HydrophobicContact CD1-CD1 3.9Å; Y62-I66 HydrophobicContact CE1-CD1 3.37Å; Y62-I66 HydrophobicContact CE2-CD1 4.3Å; Y62-I66 PolarHBondContact O-N 2.95Å; R63-I66 PolarHBondContact O-N 3.25Å; R64-I66 PolarHBondContact O-N 3.42Å; I66-S69 PolarHBondContact O-N 2.9Å; I66-R70 HydrophobicContact CG2-CG 4.49Å; I66-R70 VanDerWaalsContact O-CG 3.31Å; I66-R70 WeakPolarHBondContact O-CG 3.47Å; I66-R70 PolarHBondContact O-N 3.5Å
67R97.4Very high96.7Very high159 Ų159107.1 Ų107.160%0.649%0.487SS*.Hα-helixtrans-63.6-44.4179.8-176.6-174.663.9-179.41.7111.4R63 R64 E65 R70 M71R63-R67 WeakPolarHBondContact O-CB 3.45Å; R63-R67 PolarHBondContact O-N 2.91Å; R64-R67 PolarHBondContact O-N 3.03Å; E65-R67 VanDerWaalsContact C-N 3.32Å; E65-R67 PolarHBondContact O-N 3.09Å; R67-R70 PolarHBondContact O-N 3.26Å; R67-M71 WeakPolarHBondContact O-CB 3.24Å; R67-M71 PolarHBondContact O-N 3.08Å
68M96.9Very high96.5Very high64 Ų64114.8 Ų114.832%0.31552%0.515SS..Hα-helixtrans-61.5-46.1178.3-67.3-58.4-69.600111.1R64 E65 R70 M71 A72 Y79R64-M68 HydrophobicContact CG-CG 4.4Å; R64-M68 WeakPolarHBondContact O-CG 3.4Å; R64-M68 PolarHBondContact O-N 3.41Å; E65-M68 PolarHBondContact O-N 3.08Å; M68-R70 VanDerWaalsContact C-N 3.33Å; M68-R70 PolarHBondContact O-N 3.39Å; M68-M71 PolarHBondContact O-N 3.18Å; M68-A72 PolarHBondContact O-N 3.44Å; M68-Y79 HydrophobicContact CB-CD1 4.21Å; M68-Y79 HydrophobicContact CB-CD2 3.89Å; M68-Y79 HydrophobicContact CB-CE1 4.03Å; M68-Y79 HydrophobicContact CB-CE2 3.7Å; M68-Y79 HydrophobicContact CB-CG 4.13Å; M68-Y79 HydrophobicContact CE-CD2 4.45Å; M68-Y79 HydrophobicContact CE-CE2 4.15Å; M68-Y79 HydrophobicContact CG-CE2 4.22Å
69S96.1Very high96.4Very high58 Ų58117.1 Ų117.141%0.40652%0.524SS..Hα-helixtrans-60.2-40.8176.1-56.60000112.7E65 I66 R73 Y79E65-S69 PolarHBondContact O-N 3.49Å; E65-S69 PolarHBondContact O-OG 3.35Å; I66-S69 PolarHBondContact O-N 2.9Å; S69-R73 WeakPolarHBondContact O-CB 3.15Å; S69-R73 PolarHBondContact O-N 3.34Å; S69-R73 VanDerWaalsContact O-N 3.15Å; S69-Y79 WeakPolarHBondContact OG-CD1 3.3Å
70R96.8Very high96.4Very high185 Ų185116 Ų11670%0.69853%0.534SS*.Hα-helixtrans-67.6-40.9176.6-72.8175-178.2-176.5-0.5112.5I66 R67 M68 R73 K74I66-R70 HydrophobicContact CG2-CG 4.49Å; I66-R70 VanDerWaalsContact O-CG 3.31Å; I66-R70 WeakPolarHBondContact O-CG 3.47Å; I66-R70 PolarHBondContact O-N 3.5Å; R67-R70 PolarHBondContact O-N 3.26Å; M68-R70 VanDerWaalsContact C-N 3.33Å; M68-R70 PolarHBondContact O-N 3.39Å; R70-R73 PolarHBondContact O-N 2.84Å; R70-K74 PolarHBondContact O-N 3.39Å
71M97.3Very high96.2Very high119 Ų119114.7 Ų114.759%0.58653%0.534SS*.Hα-helixtrans-64.7-45.5179.6-173.2179.9116.800111.3R67 M68 R73 K74 V75R67-M71 WeakPolarHBondContact O-CB 3.24Å; R67-M71 PolarHBondContact O-N 3.08Å; M68-M71 PolarHBondContact O-N 3.18Å; M71-R73 PolarHBondContact O-N 3.35Å; M71-K74 PolarHBondContact O-N 3.34Å; M71-V75 PolarHBondContact O-N 3.18Å
72A96.9Very high96.1Very high17 Ų17115.4 Ų115.414%0.1454%0.544CS..Hα-helixtrans-59-48.4175.400000110.9M68 K74 V75 G76 N77M68-A72 PolarHBondContact O-N 3.44Å; A72-K74 VanDerWaalsContact C-N 3.29Å; A72-K74 PolarHBondContact O-N 3.18Å; A72-V75 PolarHBondContact O-N 3.36Å; A72-V75 VanDerWaalsContact O-N 3.08Å; A72-G76 PolarHBondContact O-N 2.74Å; A72-G76 VanDerWaalsContact O-N 3.16Å; A72-N77 CarbonylContact C-O 3.52Å; A72-N77 WeakPolarHBondContact CB-O 3.33Å; A72-N77 PolarHBondContact O-N 3.14Å
73R96.1Very high96.1Very high214 Ų214115.6 Ų115.681%0.80855%0.551SS**Hα-helixtrans-59-37.5177.9-165.3178.2-163169.65.5113.1S69 R70 M71 V75 G76 N77S69-R73 WeakPolarHBondContact O-CB 3.15Å; S69-R73 PolarHBondContact O-N 3.34Å; S69-R73 VanDerWaalsContact O-N 3.15Å; R70-R73 PolarHBondContact O-N 2.84Å; M71-R73 PolarHBondContact O-N 3.35Å; R73-V75 VanDerWaalsContact C-N 3.3Å; R73-V75 PolarHBondContact O-N 2.93Å; R73-G76 PolarHBondContact O-N 3.44Å; R73-N77 PolarHBondContact N-O 3.49Å
74K96.9Very high96Very high190 Ų190109.6 Ų109.683%0.82654%0.536SS*.Hα-helixtrans-63.3-35.5177.4-175.4-179.6177.8-1760112.3R70 M71 A72 G76R70-K74 PolarHBondContact O-N 3.39Å; M71-K74 PolarHBondContact O-N 3.34Å; A72-K74 VanDerWaalsContact C-N 3.29Å; A72-K74 PolarHBondContact O-N 3.18Å; K74-G76 VanDerWaalsContact C-N 3.3Å
75V96.3Very high96Very high101 Ų101110.4 Ų110.461%0.61254%0.542SS*.Hα-helixtrans-85.3-5.7179.2-178.10000111.7M71 A72 R73 N77M71-V75 PolarHBondContact O-N 3.18Å; A72-V75 PolarHBondContact O-N 3.36Å; A72-V75 VanDerWaalsContact O-N 3.08Å; R73-V75 VanDerWaalsContact C-N 3.3Å; R73-V75 PolarHBondContact O-N 2.93Å; V75-N77 VanDerWaalsContact C-N 3.33Å
76G95.8Very high96.2Very high57 Ų57108.6 Ų108.659%0.58853%0.534SS*.THydrogen-bonded Turntrans82.18.4-17400000114.3A72 R73 K74A72-G76 PolarHBondContact O-N 2.74Å; A72-G76 VanDerWaalsContact O-N 3.16Å; R73-G76 PolarHBondContact O-N 3.44Å; K74-G76 VanDerWaalsContact C-N 3.3Å
77N96.8Very high96.2Very high105 Ų105105.9 Ų105.956%0.56152%0.52SS*.  trans-98.5166.6178.1-72.6-24.7000112A72 R73 V75A72-N77 CarbonylContact C-O 3.52Å; A72-N77 WeakPolarHBondContact CB-O 3.33Å; A72-N77 PolarHBondContact O-N 3.14Å; R73-N77 PolarHBondContact N-O 3.49Å; V75-N77 VanDerWaalsContact C-N 3.33Å
78Y94.8Very high96.3Very high221 Ų22198.3 Ų98.387%0.86749%0.492SS*.  trans-104137.4175.9-59.8-83.7000111.5
79Y95.9Very high96.4Very high66 Ų6695.3 Ų95.326%0.25948%0.477SS..  trans-98.4122.8171.6174.8-107000109.8E65 M68 S69 P81E65-Y79 PolarHBondContact OE1-OH 3.16Å; E65-Y79 WeakPolarHBondContact OE2-CE1 3.09Å; E65-Y79 PolarHBondContact OE2-OH 3.11Å; M68-Y79 HydrophobicContact CB-CD1 4.21Å; M68-Y79 HydrophobicContact CB-CD2 3.89Å; M68-Y79 HydrophobicContact CB-CE1 4.03Å; M68-Y79 HydrophobicContact CB-CE2 3.7Å; M68-Y79 HydrophobicContact CB-CG 4.13Å; M68-Y79 HydrophobicContact CE-CD2 4.45Å; M68-Y79 HydrophobicContact CE-CE2 4.15Å; M68-Y79 HydrophobicContact CG-CE2 4.22Å; S69-Y79 WeakPolarHBondContact OG-CD1 3.3Å; Y79-P81 HydrophobicContact CE1-CB 4.2Å
80V95.6Very high96.5Very high125 Ų12592.5 Ų92.576%0.75846%0.457SS*.  trans-95.3114.3174.5-177.60000108.4
81P94.4Very high96.6Very high83 Ų8384.2 Ų84.254%0.53943%0.426SS..PPolyproline II helixtrans-68.2153.9178.728.9-34.1000111Y79Y79-P81 HydrophobicContact CE1-CB 4.2Å
82P94.2Very high96.5Very high86 Ų8678.6 Ų78.656%0.55840%0.398SS*.PPolyproline II helixtrans-64.1142.617727.3-34.5000111.2
83E94.2Very high96.5Very high169 Ų16981.5 Ų81.579%0.7941%0.406SS*.PPolyproline II helixtrans-58.2142174.9-68-174.6173.800111.7
84P95.4Very high96.4Very high54 Ų5473.2 Ų73.235%0.35139%0.387SS..PPolyproline II helixtrans-66.8136.9179.426-32.7000111.3L122 Y141P84-L122 VanDerWaalsContact O-CD1 3.26Å; P84-L122 WeakPolarHBondContact O-CD1 3.48Å; P84-Y141 HydrophobicContact CB-CD1 3.53Å; P84-Y141 HydrophobicContact CB-CD2 4.18Å; P84-Y141 HydrophobicContact CB-CE1 3.89Å; P84-Y141 HydrophobicContact CB-CE2 4.47Å; P84-Y141 HydrophobicContact CB-CG 3.7Å; P84-Y141 HydrophobicContact CG-CD1 3.44Å; P84-Y141 VanDerWaalsContact CG-CD1 3.44Å; P84-Y141 HydrophobicContact CG-CD2 3.73Å; P84-Y141 HydrophobicContact CG-CE1 3.26Å; P84-Y141 HydrophobicContact CG-CE2 3.56Å; P84-Y141 HydrophobicContact CG-CG 3.68Å
85K97Very high96.2Very high140 Ų14069.7 Ų69.761%0.60938%0.376SS*.  trans-96.8-12.9-177.8-59.5179.3-174.8176.80113.6L122 V194K85-L122 PolarHBondContact O-N 3.27Å; K85-V194 HydrophobicContact CB-CB 4.25Å; K85-V194 HydrophobicContact CB-CG2 3.85Å
86L98.1Very high96.1Very high11 Ų1171.8 Ų71.86%0.05838%0.384CS..EExtended strand (participates in β ladder)trans-125.6131.7-172.8-177.966.3000110.1F119 P142 V147 I191 V194 F198L86-F119 HydrophobicContact CD1-CB 4.08Å; L86-F119 HydrophobicContact CD1-CD1 4.26Å; L86-F119 HydrophobicContact CD1-CG 4.49Å; L86-F119 HydrophobicContact CD2-CD1 4.42Å; L86-P142 HydrophobicContact CD2-CG 3.72Å; L86-P142 HydrophobicContact CG-CG 3.93Å; L86-V147 HydrophobicContact CD2-CG2 4.24Å; L86-I191 HydrophobicContact CD2-CG2 4.27Å; L86-I191 WeakPolarHBondContact CD2-O 3.46Å; L86-V194 HydrophobicContact CB-CG2 3.79Å; L86-V194 HydrophobicContact CD1-CG2 4.32Å; L86-F198 HydrophobicContact CD1-CE2 3.62Å; L86-F198 HydrophobicContact CD1-CZ 3.77Å
87A98.4Very high96Very high0 Ų072.7 Ų72.70%039%0.393CS..EExtended strand (participates in β ladder)trans-117.2150.2166.800000111.1V89 F119 V120 L122 W139 G140A87-V89 HydrophobicContact CB-CG2 4.5Å; A87-F119 CarbonylContact O-C 3.55Å; A87-F119 WeakPolarHBondContact O-CA 3.21Å; A87-V120 PolarHBondContact N-O 3.08Å; A87-V120 PolarHBondContact O-N 3.46Å; A87-L122 HydrophobicContact CB-CD1 4.03Å; A87-L122 HydrophobicContact CB-CD2 3.75Å; A87-L122 HydrophobicContact CB-CG 3.93Å; A87-W139 HydrophobicContact CB-CE3 3.91Å; A87-W139 HydrophobicContact CB-CZ3 4.37Å; A87-G140 CarbonylContact C-O 3.43Å; A87-G140 VanDerWaalsContact CA-O 3.23Å; A87-G140 WeakPolarHBondContact CA-O 3.21Å
88F98.6Very high95.9Very high0 Ų068.4 Ų68.40%037%0.37CS..EExtended strand (participates in β ladder)trans-109.2127.3162.4-171.1-110.1000108.8I90 F119 W139 G140 P142 L150 F208 L210 I241F88-I90 HydrophobicContact CD1-CD1 3.93Å; F88-I90 HydrophobicContact CD1-CG1 3.66Å; F88-I90 HydrophobicContact CE1-CD1 3.68Å; F88-I90 HydrophobicContact CE1-CG1 3.42Å; F88-I90 VanDerWaalsContact CE1-CG1 3.42Å; F88-I90 HydrophobicContact CZ-CG1 4.43Å; F88-F119 HydrophobicContact CB-CD1 4.3Å; F88-F119 HydrophobicContact CB-CE1 4.34Å; F88-F119 AromaticContact CD2-CD1 3.53Å; F88-F119 HydrophobicContact CD2-CD1 3.53Å; F88-F119 AromaticContact CD2-CE1 3.45Å; F88-F119 HydrophobicContact CD2-CE1 3.45Å; F88-F119 VanDerWaalsContact CD2-CE1 3.45Å; F88-F119 HydrophobicContact CD2-CG 4.18Å; F88-F119 HydrophobicContact CD2-CZ 4.08Å; F88-F119 HydrophobicContact CE2-CD1 4.33Å; F88-F119 HydrophobicContact CE2-CE1 4.07Å; F88-F119 HydrophobicContact CE2-CZ 4.25Å; F88-F119 HydrophobicContact CG-CD1 4.38Å; F88-F119 HydrophobicContact CG-CE1 4.23Å; F88-W139 VanDerWaalsContact O-CA 3.24Å; F88-W139 WeakPolarHBondContact O-CA 3.46Å; F88-W139 WeakPolarHBondContact O-CB 3.25Å; F88-G140 PolarHBondContact N-O 3.3Å; F88-G140 PolarHBondContact O-N 2.9Å; F88-P142 HydrophobicContact CB-CB 4.09Å; F88-P142 HydrophobicContact CB-CG 3.99Å; F88-L150 HydrophobicContact CD1-CD1 4.32Å; F88-L150 HydrophobicContact CD2-CD1 4.03Å; F88-L150 HydrophobicContact CE1-CD1 3.91Å; F88-L150 HydrophobicContact CE2-CD1 3.61Å; F88-L150 HydrophobicContact CG-CD1 4.34Å; F88-L150 HydrophobicContact CZ-CD1 3.52Å; F88-L150 HydrophobicContact CZ-CD2 4.02Å; F88-L150 HydrophobicContact CZ-CG 4.44Å; F88-F208 AromaticContact CE2-CD2 3.81Å; F88-F208 HydrophobicContact CE2-CD2 3.81Å; F88-F208 HydrophobicContact CE2-CE2 4.28Å; F88-F208 HydrophobicContact CZ-CD2 4.27Å; F88-L210 HydrophobicContact CE1-CD1 3.97Å; F88-L210 HydrophobicContact CZ-CD1 4.18Å; F88-I241 HydrophobicContact CB-CD1 4.23Å; F88-I241 HydrophobicContact CD1-CD1 3.47Å; F88-I241 VanDerWaalsContact CD1-CD1 3.47Å; F88-I241 HydrophobicContact CD1-CG1 3.68Å; F88-I241 HydrophobicContact CE1-CD1 4.04Å; F88-I241 HydrophobicContact CE1-CG1 3.83Å; F88-I241 HydrophobicContact CG-CD1 4.06Å
89V98.6Very high96Very high0 Ų060.9 Ų60.90%035%0.348CS..EExtended strand (participates in β ladder)trans-117.5125.8-173.1-173.30000108.9A87 L111 G117 V118 V120 L130 I137 W139A87-V89 HydrophobicContact CB-CG2 4.5Å; V89-L111 HydrophobicContact CB-CD1 4.4Å; V89-L111 HydrophobicContact CG1-CD1 3.62Å; V89-G117 CarbonylContact O-C 3.52Å; V89-G117 VanDerWaalsContact O-CA 3.26Å; V89-G117 WeakPolarHBondContact O-CA 3.41Å; V89-V118 PolarHBondContact N-O 3.39Å; V89-V118 PolarHBondContact O-N 2.89Å; V89-V120 HydrophobicContact CB-CG2 4.46Å; V89-V120 HydrophobicContact CG2-CB 4.19Å; V89-V120 HydrophobicContact CG2-CG2 3.65Å; V89-L130 HydrophobicContact CB-CD2 4.47Å; V89-L130 HydrophobicContact CG1-CD2 4.01Å; V89-L130 HydrophobicContact CG2-CD2 3.62Å; V89-I137 HydrophobicContact CG1-CB 3.93Å; V89-I137 HydrophobicContact CG1-CD1 3.81Å; V89-I137 HydrophobicContact CG1-CG1 4.38Å; V89-I137 HydrophobicContact CG1-CG2 4.06Å; V89-W139 HydrophobicContact CB-CB 4.2Å; V89-W139 HydrophobicContact CG1-CB 4.16Å; V89-W139 HydrophobicContact CG2-CB 3.9Å
90I98.4Very high96.1Very high0 Ų062.2 Ų62.20%037%0.365CS..EExtended strand (participates in β ladder)trans-117.3131.4179.7-55.3173.9000108.8F88 I92 N116 I137 A138 L210 I237 L240 I241 M244F88-I90 HydrophobicContact CD1-CD1 3.93Å; F88-I90 HydrophobicContact CD1-CG1 3.66Å; F88-I90 HydrophobicContact CE1-CD1 3.68Å; F88-I90 HydrophobicContact CE1-CG1 3.42Å; F88-I90 VanDerWaalsContact CE1-CG1 3.42Å; F88-I90 HydrophobicContact CZ-CG1 4.43Å; I90-I92 HydrophobicContact CG2-CG2 4.47Å; I90-N116 WeakPolarHBondContact CA-O 3.4Å; I90-I137 CarbonylContact O-C 3.59Å; I90-I137 VanDerWaalsContact O-CA 3.23Å; I90-I137 WeakPolarHBondContact O-CA 3.4Å; I90-A138 PolarHBondContact N-O 3.49Å; I90-A138 PolarHBondContact O-N 2.82Å; I90-L210 HydrophobicContact CD1-CD1 3.79Å; I90-L210 HydrophobicContact CG1-CD1 3.86Å; I90-L210 HydrophobicContact CG2-CD1 4.04Å; I90-I237 HydrophobicContact CD1-CD1 4.11Å; I90-L240 HydrophobicContact CD1-CD2 4.03Å; I90-L240 HydrophobicContact CD1-CG 4.33Å; I90-I241 HydrophobicContact CD1-CG1 4.15Å; I90-M244 HydrophobicContact CD1-SD 3.99Å; I90-M244 HydrophobicContact CG2-CE 3.95Å; I90-M244 HydrophobicContact CG2-SD 4.23Å
91R98Very high96.2Very high11 Ų1163.3 Ų63.34%0.04236%0.36CS..EExtended strand (participates in β ladder)trans-78.9121.6171.2-178.8168.3176.9178.32.5110.8R93 G94 I95 L111 R112 Q113 F115 N116R91-R93 WeakPolarHBondContact CG-O 3.24Å; R91-R93 PolarHBondContact NE-O 3.42Å; R91-G94 PolarHBondContact NH2-O 2.75Å; R91-I95 VanDerWaalsContact NH2-CA 3.34Å; R91-L111 HydrophobicContact CB-CB 4.21Å; R91-L111 HydrophobicContact CB-CD2 4.34Å; R91-L111 VanDerWaalsContact CD-O 3.3Å; R91-L111 WeakPolarHBondContact CD-O 3.41Å; R91-L111 PolarHBondContact NH1-O 2.87Å; R91-R112 VanDerWaalsContact NH1-C 3.34Å; R91-R112 PolarHBondContact NH1-O 3.29Å; R91-Q113 WeakPolarHBondContact CD-O 3.34Å; R91-F115 WeakPolarHBondContact O-CA 3.49Å; R91-F115 PolarHBondContact O-N 3.27Å; R91-N116 PolarHBondContact N-O 3.2Å
92I97.2Very high96.3Very high0 Ų060 Ų600%034%0.338CS..  trans-106.7-20.1-176.857.2165.6000113.8I90 I114 Y136 A138 M217 D229 A230I90-I92 HydrophobicContact CG2-CG2 4.47Å; I92-I114 VanDerWaalsContact O-CD1 3.3Å; I92-I114 WeakPolarHBondContact O-CD1 3.48Å; I92-Y136 WeakPolarHBondContact CG1-O 3.32Å; I92-Y136 PolarHBondContact N-O 2.92Å; I92-A138 HydrophobicContact CD1-CB 4.46Å; I92-A138 HydrophobicContact CG2-CB 3.64Å; I92-M217 HydrophobicContact CB-CE 4.19Å; I92-M217 HydrophobicContact CB-SD 4.15Å; I92-M217 HydrophobicContact CG2-CE 4.45Å; I92-M217 HydrophobicContact CG2-SD 3.88Å; I92-D229 HydrophobicContact CD1-CB 4.2Å; I92-A230 HydrophobicContact CD1-CB 4.13Å
93R95.6Very high96.5Very high78 Ų7862.6 Ų62.629%0.29434%0.337SS..SBendtrans-111.7152.5178.4-69.2179.777.7173.3-0.3112.6R91 P135 Y136 K220R91-R93 WeakPolarHBondContact CG-O 3.24Å; R91-R93 PolarHBondContact NE-O 3.42Å; R93-P135 WeakPolarHBondContact CD-O 3.36Å; R93-Y136 HydrophobicContact CB-CD1 3.72Å; R93-Y136 HydrophobicContact CB-CG 4.44Å; R93-Y136 PolarHBondContact N-O 3.29Å; R93-K220 HydrophobicContact CG-CB 4.3Å
94G93.8Very high96.6Very high40 Ų4060.4 Ų60.441%0.41233%0.325SS..  trans-69.9-169.5-178.700000114.6R91R91-G94 PolarHBondContact NH2-O 2.75Å
95I94.3Very high96.8Very high117 Ų11758.4 Ų58.460%0.631%0.311SS*.SBendtrans-91.6-13-178.356.1170.3000113.9R91 V98R91-I95 VanDerWaalsContact NH2-CA 3.34Å; I95-V98 WeakPolarHBondContact O-CG2 3.46Å
96N94Very high96.8Very high145 Ų14551.8 Ų51.878%0.77528%0.283SS*.THydrogen-bonded Turntrans-75.7137.3-174-59.4-7.1000110.7V98N96-V98 PolarHBondContact O-N 2.98Å
97G91.9Very high96.8Very high75 Ų7555.8 Ų55.877%0.77330%0.301SS*.THydrogen-bonded Turntrans60.828.4177.300000114.3Y136G97-Y136 PolarHBondContact O-OH 2.99Å
98V95.7Very high96.7Very high15 Ų1561.1 Ų61.19%0.09133%0.329CS..  trans-89.2122.1178.2-175.50000109.5I95 N96 V102 R103 Y136I95-V98 WeakPolarHBondContact O-CG2 3.46Å; N96-V98 PolarHBondContact O-N 2.98Å; V98-V102 HydrophobicContact CG1-CB 3.94Å; V98-V102 HydrophobicContact CG1-CG1 3.95Å; V98-R103 HydrophobicContact CG1-CB 3.95Å; V98-Y136 HydrophobicContact CB-CE1 4.32Å; V98-Y136 HydrophobicContact CG1-CE1 4.24Å; V98-Y136 HydrophobicContact CG2-CD1 4.09Å; V98-Y136 HydrophobicContact CG2-CE1 3.64Å
99P97.1Very high96.6Very high63 Ų6362 Ų6241%0.40933%0.334SS..  trans-55.7144174.8-2634.2000111.9K101 V102 R103 Y136P99-K101 VanDerWaalsContact C-N 3.26Å; P99-K101 PolarHBondContact O-N 3.01Å; P99-V102 HydrophobicContact CB-CG2 4.3Å; P99-V102 HydrophobicContact CG-CG2 4.46Å; P99-V102 PolarHBondContact O-N 2.85Å; P99-V102 VanDerWaalsContact O-N 3.08Å; P99-R103 PolarHBondContact O-N 3.15Å; P99-Y136 WeakPolarHBondContact CD-OH 3.21Å
100P97.4Very high96.6Very high94 Ų9464.7 Ų64.761%0.6134%0.344SS*.Hα-helixtrans-58.8-35.7-173.619.5-30.4000113.2R103 K104P100-R103 PolarHBondContact O-N 2.69Å; P100-K104 PolarHBondContact O-N 3.49Å
101K97.4Very high96.5Very high149 Ų14964.7 Ų64.765%0.64834%0.344SS*.Hα-helixtrans-60.4-49.4175.2-172.8174.1-1791770111.8P99 K104 V105 I132P99-K101 VanDerWaalsContact C-N 3.26Å; P99-K101 PolarHBondContact O-N 3.01Å; K101-K104 PolarHBondContact O-N 3.47Å; K101-V105 WeakPolarHBondContact O-CG2 3.37Å; K101-V105 PolarHBondContact O-N 3.11Å; K101-I132 HydrophobicContact CG-CG2 4.35Å
102V97.4Very high96.4Very high14 Ų1473.1 Ų73.19%0.08538%0.376CS..Hα-helixtrans-65.7-42.6178.2-179.20000111.1V98 P99 K104 V105 L106 I132 A133 Y136V98-V102 HydrophobicContact CG1-CB 3.94Å; V98-V102 HydrophobicContact CG1-CG1 3.95Å; P99-V102 HydrophobicContact CB-CG2 4.3Å; P99-V102 HydrophobicContact CG-CG2 4.46Å; P99-V102 PolarHBondContact O-N 2.85Å; P99-V102 VanDerWaalsContact O-N 3.08Å; V102-K104 VanDerWaalsContact C-N 3.27Å; V102-K104 PolarHBondContact O-N 3.11Å; V102-V105 PolarHBondContact O-N 3.39Å; V102-V105 VanDerWaalsContact O-N 3.16Å; V102-L106 HydrophobicContact CG1-CD1 4.26Å; V102-L106 HydrophobicContact CG1-CG 4.46Å; V102-L106 PolarHBondContact O-N 3.35Å; V102-I132 HydrophobicContact CG2-CG2 4.21Å; V102-A133 HydrophobicContact CG1-CB 4.34Å; V102-Y136 HydrophobicContact CB-CE2 4.45Å; V102-Y136 HydrophobicContact CG1-CD2 3.56Å; V102-Y136 HydrophobicContact CG1-CE2 3.77Å; V102-Y136 HydrophobicContact CG1-CG 4.23Å; V102-Y136 HydrophobicContact CG2-CE2 4.44Å
103R97.3Very high96.3Very high140 Ų14078.1 Ų78.153%0.52840%0.399SS..Hα-helixtrans-56.6-42.8176.6-176.717465.6-171.1-0.2111.4V98 P99 P100 L106 Q107V98-R103 HydrophobicContact CG1-CB 3.95Å; P99-R103 PolarHBondContact O-N 3.15Å; P100-R103 PolarHBondContact O-N 2.69Å; R103-L106 PolarHBondContact O-N 3.35Å; R103-Q107 VanDerWaalsContact O-CG 3.31Å; R103-Q107 WeakPolarHBondContact O-CG 3.45Å; R103-Q107 PolarHBondContact O-N 3.46Å
104K97.8Very high96.4Very high122 Ų12277.7 Ų77.753%0.5340%0.402SS..Hα-helixtrans-65.7-41.9177.9-170.663.9174.4-172.40111.9P100 K101 V102 Q107 L108P100-K104 PolarHBondContact O-N 3.49Å; K101-K104 PolarHBondContact O-N 3.47Å; V102-K104 VanDerWaalsContact C-N 3.27Å; V102-K104 PolarHBondContact O-N 3.11Å; K104-Q107 WeakPolarHBondContact O-CB 3.47Å; K104-Q107 PolarHBondContact O-N 3.47Å; K104-L108 WeakPolarHBondContact O-CG 3.21Å; K104-L108 PolarHBondContact O-N 2.83Å
105V97.9Very high96.5Very high12 Ų1276.7 Ų76.77%0.07339%0.386CS..Hα-helixtrans-60.6-46.9175.7172.60000111.5K101 V102 Q107 L108 L109 M129 I132 A133K101-V105 WeakPolarHBondContact O-CG2 3.37Å; K101-V105 PolarHBondContact O-N 3.11Å; V102-V105 PolarHBondContact O-N 3.39Å; V102-V105 VanDerWaalsContact O-N 3.16Å; V105-Q107 VanDerWaalsContact C-N 3.27Å; V105-Q107 PolarHBondContact O-N 3.47Å; V105-L108 PolarHBondContact O-N 3.1Å; V105-L108 VanDerWaalsContact O-N 3.16Å; V105-L109 HydrophobicContact CG1-CD1 4.17Å; V105-L109 WeakPolarHBondContact O-CG 3.5Å; V105-L109 PolarHBondContact O-N 2.94Å; V105-M129 HydrophobicContact CG1-CB 4.12Å; V105-M129 HydrophobicContact CG1-CE 4.04Å; V105-M129 WeakPolarHBondContact CG1-O 3.3Å; V105-I132 HydrophobicContact CG2-CB 4.46Å; V105-I132 HydrophobicContact CG2-CG2 3.99Å; V105-A133 HydrophobicContact CG1-CB 3.94Å
106L97.9Very high96.7Very high2 Ų271.7 Ų71.71%0.0136%0.361CS..Hα-helixtrans-59.9-37.8176.2-69.4173.7000112V102 R103 L109 R110 L111 A133 I137V102-L106 HydrophobicContact CG1-CD1 4.26Å; V102-L106 HydrophobicContact CG1-CG 4.46Å; V102-L106 PolarHBondContact O-N 3.35Å; R103-L106 PolarHBondContact O-N 3.35Å; L106-L109 PolarHBondContact O-N 3.17Å; L106-R110 PolarHBondContact O-N 2.87Å; L106-R110 VanDerWaalsContact O-N 3.16Å; L106-L111 HydrophobicContact CB-CB 4.43Å; L106-L111 HydrophobicContact CD2-CB 4.15Å; L106-L111 HydrophobicContact CD2-CD1 4.03Å; L106-L111 PolarHBondContact O-N 2.89Å; L106-A133 HydrophobicContact CD2-CB 4.12Å; L106-A133 HydrophobicContact CG-CB 4.48Å; L106-I137 HydrophobicContact CD2-CG2 3.58Å
107Q97.1Very high96.9Very high95 Ų9564.8 Ų64.844%0.44432%0.324SS..Hα-helixtrans-65.7-42.6175-73173.6-4.100112.5R103 K104 V105 L109 R110R103-Q107 VanDerWaalsContact O-CG 3.31Å; R103-Q107 WeakPolarHBondContact O-CG 3.45Å; R103-Q107 PolarHBondContact O-N 3.46Å; K104-Q107 WeakPolarHBondContact O-CB 3.47Å; K104-Q107 PolarHBondContact O-N 3.47Å; V105-Q107 VanDerWaalsContact C-N 3.27Å; V105-Q107 PolarHBondContact O-N 3.47Å; Q107-L109 VanDerWaalsContact C-N 3.31Å; Q107-L109 PolarHBondContact O-N 3.21Å; Q107-R110 WeakPolarHBondContact O-CA 3.38Å; Q107-R110 PolarHBondContact O-N 2.99Å
108L97.3Very high97.2Very high112 Ų11261.5 Ų61.559%0.58629%0.289SS*.Hα-helixtrans-62.1-39.8176.1-69.8173.7000111.5K104 V105 R110 M129K104-L108 WeakPolarHBondContact O-CG 3.21Å; K104-L108 PolarHBondContact O-N 2.83Å; V105-L108 PolarHBondContact O-N 3.1Å; V105-L108 VanDerWaalsContact O-N 3.16Å; L108-R110 PolarHBondContact O-N 2.52Å; L108-M129 HydrophobicContact CB-CE 3.91Å; L108-M129 HydrophobicContact CD1-CE 3.78Å
109L97Very high97.4Very high19 Ų1960.8 Ų60.810%0.09928%0.284CS..THydrogen-bonded Turntrans-72.7-4.9173.3-66.2176.3000113.6V105 L106 Q107 L111 V118 V120 L130V105-L109 HydrophobicContact CG1-CD1 4.17Å; V105-L109 WeakPolarHBondContact O-CG 3.5Å; V105-L109 PolarHBondContact O-N 2.94Å; L106-L109 PolarHBondContact O-N 3.17Å; Q107-L109 VanDerWaalsContact C-N 3.31Å; Q107-L109 PolarHBondContact O-N 3.21Å; L109-L111 VanDerWaalsContact C-N 3.3Å; L109-L111 HydrophobicContact CB-CD1 4.01Å; L109-L111 HydrophobicContact CB-CG 4.09Å; L109-L111 HydrophobicContact CD1-CD1 4.22Å; L109-L111 PolarHBondContact O-N 3.45Å; L109-V118 WeakPolarHBondContact O-CG2 3.46Å; L109-V120 HydrophobicContact CD2-CG2 4.02Å; L109-L130 HydrophobicContact CD1-CD2 3.94Å
110R97.4Very high97.4Very high55 Ų5558.5 Ų58.521%0.20827%0.269CS..THydrogen-bonded Turntrans68.620.1-176.5-47.7179-71.3167.7-0.8114.5L106 Q107 L108 R112 V118 N202 L205 P207L106-R110 PolarHBondContact O-N 2.87Å; L106-R110 VanDerWaalsContact O-N 3.16Å; Q107-R110 WeakPolarHBondContact O-CA 3.38Å; Q107-R110 PolarHBondContact O-N 2.99Å; L108-R110 PolarHBondContact O-N 2.52Å; R110-R112 PolarHBondContact O-N 2.84Å; R110-R112 VanDerWaalsContact O-N 3.17Å; R110-V118 HydrophobicContact CB-CG2 4.47Å; R110-N202 PolarHBondContact NH1-O 2.99Å; R110-N202 PolarHBondContact NH2-O 3.3Å; R110-N202 PolarHBondContact NH2-OD1 3.27Å; R110-L205 PolarHBondContact NH1-O 2.98Å; R110-P207 HydrophobicContact CB-CG 3.66Å
111L97.8Very high97.5Very high1 Ų159 Ų591%0.00526%0.261CS..  trans-88.868.2179.7-65.8173.6000112.2V89 R91 L106 L109 N116 V118 I137V89-L111 HydrophobicContact CB-CD1 4.4Å; V89-L111 HydrophobicContact CG1-CD1 3.62Å; R91-L111 HydrophobicContact CB-CB 4.21Å; R91-L111 HydrophobicContact CB-CD2 4.34Å; R91-L111 VanDerWaalsContact CD-O 3.3Å; R91-L111 WeakPolarHBondContact CD-O 3.41Å; R91-L111 PolarHBondContact NH1-O 2.87Å; L106-L111 HydrophobicContact CB-CB 4.43Å; L106-L111 HydrophobicContact CD2-CB 4.15Å; L106-L111 HydrophobicContact CD2-CD1 4.03Å; L106-L111 PolarHBondContact O-N 2.89Å; L109-L111 VanDerWaalsContact C-N 3.3Å; L109-L111 HydrophobicContact CB-CD1 4.01Å; L109-L111 HydrophobicContact CB-CG 4.09Å; L109-L111 HydrophobicContact CD1-CD1 4.22Å; L109-L111 PolarHBondContact O-N 3.45Å; L111-N116 HydrophobicContact CD2-CB 4.03Å; L111-N116 WeakPolarHBondContact CD2-O 3.49Å; L111-V118 HydrophobicContact CD2-CB 4.43Å; L111-V118 HydrophobicContact CD2-CG2 3.82Å; L111-V118 HydrophobicContact CG-CG2 4.41Å; L111-I137 HydrophobicContact CD1-CG2 4.01Å
112R94.9Very high97.5Very high188 Ų18853 Ų5371%0.70924%0.236SC*.  trans-79-33.5-174.1-64.2-175.8176.8-171.7-3.2115.2R91 R110R91-R112 VanDerWaalsContact NH1-C 3.34Å; R91-R112 PolarHBondContact NH1-O 3.29Å; R110-R112 PolarHBondContact O-N 2.84Å; R110-R112 VanDerWaalsContact O-N 3.17Å
113Q95.9Very high97.4Very high105 Ų10556.2 Ų56.249%0.49125%0.253SS..SBendtrans-118.2157.7-177.5-62.8178.5-48.300110.2R91 N116R91-Q113 WeakPolarHBondContact CD-O 3.34Å; Q113-N116 PolarHBondContact N-ND2 3.08Å; Q113-N116 WeakPolarHBondContact O-CB 3.41Å; Q113-N116 PolarHBondContact O-N 2.96Å
114I96.4Very high97.4Very high68 Ų6857.9 Ų57.935%0.34926%0.264SS..THydrogen-bonded Turntrans-59.3144.9170.2-166169000109.4I92 N116I92-I114 VanDerWaalsContact O-CD1 3.3Å; I92-I114 WeakPolarHBondContact O-CD1 3.48Å; I114-N116 PolarHBondContact O-N 3.2Å; I114-N116 VanDerWaalsContact O-N 3.15Å
115F97.4Very high97.4Very high20 Ų2055.1 Ų55.19%0.08826%0.264CS..THydrogen-bonded Turntrans59.420.7-177.2-51.1-42.5000115R91 L210 S212 M217 M244R91-F115 WeakPolarHBondContact O-CA 3.49Å; R91-F115 PolarHBondContact O-N 3.27Å; F115-L210 HydrophobicContact CB-CB 4.3Å; F115-L210 WeakPolarHBondContact O-CB 3.27Å; F115-L210 WeakPolarHBondContact O-CG 3.21Å; F115-L210 PolarHBondContact O-N 3.31Å; F115-S212 WeakPolarHBondContact CE2-OG 3.48Å; F115-M217 HydrophobicContact CE1-CE 3.38Å; F115-M217 HydrophobicContact CE1-SD 4.12Å; F115-M217 HydrophobicContact CZ-CE 3.61Å; F115-M244 HydrophobicContact CB-CE 3.63Å; F115-M244 HydrophobicContact CD1-CE 3.21Å; F115-M244 HydrophobicContact CE1-CE 3.92Å; F115-M244 HydrophobicContact CG-CE 3.55Å
116N98.1Very high97.4Very high12 Ų1255.1 Ų55.16%0.06427%0.265CS..EExtended strand (participates in β ladder)trans-73.2137.8159.9-78.11.9000109.9I90 R91 L111 Q113 I114 F208I90-N116 WeakPolarHBondContact CA-O 3.4Å; R91-N116 PolarHBondContact N-O 3.2Å; L111-N116 HydrophobicContact CD2-CB 4.03Å; L111-N116 WeakPolarHBondContact CD2-O 3.49Å; Q113-N116 PolarHBondContact N-ND2 3.08Å; Q113-N116 WeakPolarHBondContact O-CB 3.41Å; Q113-N116 PolarHBondContact O-N 2.96Å; I114-N116 PolarHBondContact O-N 3.2Å; I114-N116 VanDerWaalsContact O-N 3.15Å; N116-F208 CarbonylContact C-O 3.49Å; N116-F208 VanDerWaalsContact CA-O 3.27Å; N116-F208 WeakPolarHBondContact CA-O 3.32Å
117G98.2Very high97.3Very high0 Ų057.3 Ų57.30%028%0.276CS..EExtended strand (participates in β ladder)trans-119.1139.7176.300000112.3V89 P207 F208V89-G117 CarbonylContact O-C 3.52Å; V89-G117 VanDerWaalsContact O-CA 3.26Å; V89-G117 WeakPolarHBondContact O-CA 3.41Å; G117-P207 CarbonylContact O-C 3.02Å; G117-F208 PolarHBondContact N-O 3.42Å; G117-F208 WeakPolarHBondContact O-CD2 3.33Å; G117-F208 PolarHBondContact O-N 2.94Å
118V98.4Very high97.4Very high5 Ų556.1 Ų56.13%0.0327%0.273CS..EExtended strand (participates in β ladder)trans-142.9141.2178.1-173.10000109.9V89 L109 R110 L111 P207V89-V118 PolarHBondContact N-O 3.39Å; V89-V118 PolarHBondContact O-N 2.89Å; L109-V118 WeakPolarHBondContact O-CG2 3.46Å; R110-V118 HydrophobicContact CB-CG2 4.47Å; L111-V118 HydrophobicContact CD2-CB 4.43Å; L111-V118 HydrophobicContact CD2-CG2 3.82Å; L111-V118 HydrophobicContact CG-CG2 4.41Å; V118-P207 HydrophobicContact CG2-CB 3.87Å; V118-P207 HydrophobicContact CG2-CG 4.15Å
119F98.6Very high97.4Very high1 Ų153.5 Ų53.50%0.00426%0.258CS..EExtended strand (participates in β ladder)trans-77138.4168.5-65.1-62.9000110.9L86 A87 F88 P142 V147 L150 I151 I191 F198 N202 L205 F208L86-F119 HydrophobicContact CD1-CB 4.08Å; L86-F119 HydrophobicContact CD1-CD1 4.26Å; L86-F119 HydrophobicContact CD1-CG 4.49Å; L86-F119 HydrophobicContact CD2-CD1 4.42Å; A87-F119 CarbonylContact O-C 3.55Å; A87-F119 WeakPolarHBondContact O-CA 3.21Å; F88-F119 HydrophobicContact CB-CD1 4.3Å; F88-F119 HydrophobicContact CB-CE1 4.34Å; F88-F119 AromaticContact CD2-CD1 3.53Å; F88-F119 HydrophobicContact CD2-CD1 3.53Å; F88-F119 AromaticContact CD2-CE1 3.45Å; F88-F119 HydrophobicContact CD2-CE1 3.45Å; F88-F119 VanDerWaalsContact CD2-CE1 3.45Å; F88-F119 HydrophobicContact CD2-CG 4.18Å; F88-F119 HydrophobicContact CD2-CZ 4.08Å; F88-F119 HydrophobicContact CE2-CD1 4.33Å; F88-F119 HydrophobicContact CE2-CE1 4.07Å; F88-F119 HydrophobicContact CE2-CZ 4.25Å; F88-F119 HydrophobicContact CG-CD1 4.38Å; F88-F119 HydrophobicContact CG-CE1 4.23Å; F119-P142 HydrophobicContact CD1-CG 4.4Å; F119-P142 HydrophobicContact CE1-CG 4.21Å; F119-V147 HydrophobicContact CE1-CG1 4.47Å; F119-V147 HydrophobicContact CE1-CG2 3.92Å; F119-V147 HydrophobicContact CZ-CB 4.34Å; F119-V147 HydrophobicContact CZ-CG1 4.01Å; F119-V147 HydrophobicContact CZ-CG2 4.2Å; F119-L150 HydrophobicContact CE1-CD1 4.28Å; F119-L150 HydrophobicContact CZ-CB 4.47Å; F119-L150 HydrophobicContact CZ-CD1 3.95Å; F119-I151 HydrophobicContact CE2-CD1 4.35Å; F119-I151 HydrophobicContact CE2-CG1 4.32Å; F119-I191 HydrophobicContact CB-CG2 4.42Å; F119-I191 HydrophobicContact CD1-CG2 4.17Å; F119-I191 HydrophobicContact CD2-CG2 3.69Å; F119-I191 HydrophobicContact CE1-CG2 4.42Å; F119-I191 HydrophobicContact CE2-CG2 3.93Å; F119-I191 HydrophobicContact CG-CG2 3.83Å; F119-I191 HydrophobicContact CZ-CG2 4.31Å; F119-F198 HydrophobicContact CB-CZ 4.27Å; F119-N202 PolarHBondContact O-ND2 3.08Å; F119-N202 PolarHBondContact O-OD1 2.82Å; F119-L205 HydrophobicContact CD2-CD1 4.21Å; F119-L205 HydrophobicContact CE2-CD1 4.33Å; F119-F208 AromaticContact CD2-CE2 3.74Å; F119-F208 HydrophobicContact CD2-CE2 3.74Å; F119-F208 HydrophobicContact CD2-CZ 4.32Å; F119-F208 HydrophobicContact CE2-CD2 4.48Å; F119-F208 AromaticContact CE2-CE2 3.37Å; F119-F208 HydrophobicContact CE2-CE2 3.37Å; F119-F208 AromaticContact CE2-CZ 3.61Å; F119-F208 HydrophobicContact CE2-CZ 3.61Å; F119-F208 HydrophobicContact CZ-CE2 4.14Å; F119-F208 HydrophobicContact CZ-CZ 4.37Å
120V98.3Very high97.4Very high15 Ų1552.6 Ų52.69%0.09125%0.253CS..EExtended strand (participates in β ladder)trans-130.9128.1179179.90000108.7A87 V89 L109A87-V120 PolarHBondContact N-O 3.08Å; A87-V120 PolarHBondContact O-N 3.46Å; V89-V120 HydrophobicContact CB-CG2 4.46Å; V89-V120 HydrophobicContact CG2-CB 4.19Å; V89-V120 HydrophobicContact CG2-CG2 3.65Å; L109-V120 HydrophobicContact CD2-CG2 4.02Å
121K98.1Very high97.4Very high103 Ų10357.3 Ų57.345%0.44827%0.271SS..EExtended strand (participates in β ladder)trans-72.1127.5169.1172.2170.4-172.7172.20108.3S126 V194 F198K121-S126 PolarHBondContact O-OG 2.9Å; K121-S126 VanDerWaalsContact O-OG 3.08Å; K121-V194 HydrophobicContact CB-CG1 4.13Å; K121-V194 HydrophobicContact CD-CG1 3.52Å; K121-V194 HydrophobicContact CG-CG1 3.68Å; K121-F198 HydrophobicContact CB-CD1 3.82Å; K121-F198 HydrophobicContact CB-CE1 3.52Å; K121-F198 HydrophobicContact CB-CZ 4.17Å; K121-F198 HydrophobicContact CD-CD1 4.45Å
122L97.6Very high97.4Very high23 Ų2360.3 Ų60.312%0.1229%0.286CS..  trans-81.5124-179.6-67.8171.2000110.7P84 K85 A87 S126 I127 L130 W139 Y141P84-L122 VanDerWaalsContact O-CD1 3.26Å; P84-L122 WeakPolarHBondContact O-CD1 3.48Å; K85-L122 PolarHBondContact O-N 3.27Å; A87-L122 HydrophobicContact CB-CD1 4.03Å; A87-L122 HydrophobicContact CB-CD2 3.75Å; A87-L122 HydrophobicContact CB-CG 3.93Å; L122-S126 WeakPolarHBondContact CA-OG 3.31Å; L122-I127 HydrophobicContact CD2-CG1 3.98Å; L122-L130 HydrophobicContact CD2-CD1 4.06Å; L122-W139 HydrophobicContact CD2-CZ3 4.13Å; L122-Y141 HydrophobicContact CD1-CD1 3.92Å; L122-Y141 HydrophobicContact CD1-CE1 3.58Å
123N96.8Very high97.5Very high82 Ų8251.3 Ų51.344%0.43925%0.253SS..  trans-146.9171.6166.362.738.8000108.3A125 S126 I127N123-A125 PolarHBondContact O-N 3.4Å; N123-A125 WeakPolarHBondContact OD1-CB 3.49Å; N123-A125 PolarHBondContact OD1-N 2.96Å; N123-A125 VanDerWaalsContact OD1-N 3.14Å; N123-S126 PolarHBondContact N-OG 2.79Å; N123-S126 PolarHBondContact O-N 3.23Å; N123-S126 PolarHBondContact O-OG 2.75Å; N123-S126 WeakPolarHBondContact OD1-CB 3.48Å; N123-S126 PolarHBondContact OD1-N 3.4Å; N123-S126 PolarHBondContact OD1-OG 3.23Å; N123-I127 WeakPolarHBondContact O-CG1 3.44Å; N123-I127 PolarHBondContact O-N 3.36Å
124K97.1Very high97.5Very high176 Ų17648.8 Ų48.877%0.76524%0.241SC*.Hα-helixtrans-54.2-40.7-178.6-170.3170.7-177.1174.50112.7N128K124-N128 VanDerWaalsContact O-CG 3.25Å; K124-N128 PolarHBondContact O-N 3.31Å; K124-N128 VanDerWaalsContact O-N 3.08Å; K124-N128 PolarHBondContact O-ND2 2.85Å
125A96.9Very high97.4Very high63 Ų6348.3 Ų48.352%0.52124%0.242SC..Hα-helixtrans-68.5-44.6179.700000112.8N123 I127 N128 M129N123-A125 PolarHBondContact O-N 3.4Å; N123-A125 WeakPolarHBondContact OD1-CB 3.49Å; N123-A125 PolarHBondContact OD1-N 2.96Å; N123-A125 VanDerWaalsContact OD1-N 3.14Å; A125-I127 VanDerWaalsContact C-N 3.34Å; A125-N128 PolarHBondContact O-N 3.3Å; A125-M129 WeakPolarHBondContact O-CG 3.45Å; A125-M129 PolarHBondContact O-N 3Å
126S97.3Very high97.4Very high13 Ų1348.5 Ų48.59%0.09124%0.243CC..Hα-helixtrans-66.3-39.2178.968.50000110.8K121 L122 N123 N128 M129 L130K121-S126 PolarHBondContact O-OG 2.9Å; K121-S126 VanDerWaalsContact O-OG 3.08Å; L122-S126 WeakPolarHBondContact CA-OG 3.31Å; N123-S126 PolarHBondContact N-OG 2.79Å; N123-S126 PolarHBondContact O-N 3.23Å; N123-S126 PolarHBondContact O-OG 2.75Å; N123-S126 WeakPolarHBondContact OD1-CB 3.48Å; N123-S126 PolarHBondContact OD1-N 3.4Å; N123-S126 PolarHBondContact OD1-OG 3.23Å; S126-N128 VanDerWaalsContact C-N 3.34Å; S126-M129 WeakPolarHBondContact O-CB 3.45Å; S126-M129 PolarHBondContact O-N 3.33Å; S126-L130 VanDerWaalsContact O-CG 3.25Å; S126-L130 WeakPolarHBondContact O-CG 3.37Å; S126-L130 PolarHBondContact O-N 2.84Å
127I97.6Very high97.4Very high47 Ų4748 Ų4824%0.24124%0.239CC..Hα-helixtrans-61.9-44.9175.7-68.7166.7000110.1L122 N123 A125 M129 L130 R131L122-I127 HydrophobicContact CD2-CG1 3.98Å; N123-I127 WeakPolarHBondContact O-CG1 3.44Å; N123-I127 PolarHBondContact O-N 3.36Å; A125-I127 VanDerWaalsContact C-N 3.34Å; I127-M129 VanDerWaalsContact C-N 3.31Å; I127-M129 PolarHBondContact O-N 3.16Å; I127-L130 PolarHBondContact O-N 3.27Å; I127-L130 VanDerWaalsContact O-N 3.1Å; I127-R131 WeakPolarHBondContact O-CG 3.26Å; I127-R131 PolarHBondContact O-N 3.49Å
128N97.7Very high97.4Very high71 Ų7148 Ų4838%0.3824%0.239SC..Hα-helixtrans-62.4-38.1175.8-71.2-14.4000112.3K124 A125 S126 R131 I132K124-N128 VanDerWaalsContact O-CG 3.25Å; K124-N128 PolarHBondContact O-N 3.31Å; K124-N128 VanDerWaalsContact O-N 3.08Å; K124-N128 PolarHBondContact O-ND2 2.85Å; A125-N128 PolarHBondContact O-N 3.3Å; S126-N128 VanDerWaalsContact C-N 3.34Å; N128-R131 PolarHBondContact O-N 3.46Å; N128-I132 WeakPolarHBondContact O-CG1 3.05Å; N128-I132 PolarHBondContact O-N 2.99Å; N128-I132 VanDerWaalsContact O-N 3.16Å
129M97.6Very high97.4Very high56 Ų5648.2 Ų48.228%0.27624%0.24SC..Hα-helixtrans-63.4-42.2171.5-71.7-177.667.900112.2V105 L108 A125 S126 I127 I132 A133V105-M129 HydrophobicContact CG1-CB 4.12Å; V105-M129 HydrophobicContact CG1-CE 4.04Å; V105-M129 WeakPolarHBondContact CG1-O 3.3Å; L108-M129 HydrophobicContact CB-CE 3.91Å; L108-M129 HydrophobicContact CD1-CE 3.78Å; A125-M129 WeakPolarHBondContact O-CG 3.45Å; A125-M129 PolarHBondContact O-N 3Å; S126-M129 WeakPolarHBondContact O-CB 3.45Å; S126-M129 PolarHBondContact O-N 3.33Å; I127-M129 VanDerWaalsContact C-N 3.31Å; I127-M129 PolarHBondContact O-N 3.16Å; M129-I132 PolarHBondContact O-N 3.22Å; M129-A133 PolarHBondContact O-N 2.98Å
130L97.7Very high97.4Very high0 Ų048.2 Ų48.20%024%0.24CC..Hα-helixtrans-63.9-41.1177.7-67.4171.3000111.5V89 L109 L122 S126 I127 I132 A133 E134 I137 W139V89-L130 HydrophobicContact CB-CD2 4.47Å; V89-L130 HydrophobicContact CG1-CD2 4.01Å; V89-L130 HydrophobicContact CG2-CD2 3.62Å; L109-L130 HydrophobicContact CD1-CD2 3.94Å; L122-L130 HydrophobicContact CD2-CD1 4.06Å; S126-L130 VanDerWaalsContact O-CG 3.25Å; S126-L130 WeakPolarHBondContact O-CG 3.37Å; S126-L130 PolarHBondContact O-N 2.84Å; I127-L130 PolarHBondContact O-N 3.27Å; I127-L130 VanDerWaalsContact O-N 3.1Å; L130-I132 VanDerWaalsContact C-N 3.34Å; L130-I132 PolarHBondContact O-N 2.96Å; L130-A133 CarbonylContact O-C 3.43Å; L130-A133 PolarHBondContact O-N 3.16Å; L130-A133 VanDerWaalsContact O-N 3.1Å; L130-E134 WeakPolarHBondContact O-CA 3.45Å; L130-E134 PolarHBondContact O-N 2.98Å; L130-I137 HydrophobicContact CB-CD1 4.23Å; L130-I137 HydrophobicContact CD2-CD1 3.6Å; L130-W139 HydrophobicContact CB-CZ2 4.31Å; L130-W139 HydrophobicContact CD1-CD2 3.98Å; L130-W139 HydrophobicContact CD1-CE3 3.97Å; L130-W139 HydrophobicContact CD1-CH2 4.29Å; L130-W139 HydrophobicContact CD1-CZ2 4.29Å; L130-W139 HydrophobicContact CD1-CZ3 4.13Å
131R97.1Very high97.4Very high154 Ų15450 Ų5058%0.58125%0.245SC*.Hα-helixtrans-58.5-41.7173.9-72.5175.6179.7175.1-2.9112.3I127 N128 A133 E134I127-R131 WeakPolarHBondContact O-CG 3.26Å; I127-R131 PolarHBondContact O-N 3.49Å; N128-R131 PolarHBondContact O-N 3.46Å; R131-A133 VanDerWaalsContact C-N 3.28Å; R131-A133 PolarHBondContact O-N 3.48Å; R131-E134 WeakPolarHBondContact O-CB 3.44Å; R131-E134 PolarHBondContact O-N 3.08Å
132I97.2Very high97.4Very high64 Ų6445.5 Ų45.533%0.32823%0.227SC..Hα-helixtrans-61.5-37.7175.6-66.8164.5000111.6K101 V102 V105 N128 M129 L130K101-I132 HydrophobicContact CG-CG2 4.35Å; V102-I132 HydrophobicContact CG2-CG2 4.21Å; V105-I132 HydrophobicContact CG2-CB 4.46Å; V105-I132 HydrophobicContact CG2-CG2 3.99Å; N128-I132 WeakPolarHBondContact O-CG1 3.05Å; N128-I132 PolarHBondContact O-N 2.99Å; N128-I132 VanDerWaalsContact O-N 3.16Å; M129-I132 PolarHBondContact O-N 3.22Å; L130-I132 VanDerWaalsContact C-N 3.34Å; L130-I132 PolarHBondContact O-N 2.96Å
133A96.7Very high97.4Very high0 Ų046.8 Ų46.80%023%0.234CC..Hα-helixtrans-92.91.8-178.100000114V102 V105 L106 M129 L130 R131 P135 Y136 I137V102-A133 HydrophobicContact CG1-CB 4.34Å; V105-A133 HydrophobicContact CG1-CB 3.94Å; L106-A133 HydrophobicContact CD2-CB 4.12Å; L106-A133 HydrophobicContact CG-CB 4.48Å; M129-A133 PolarHBondContact O-N 2.98Å; L130-A133 CarbonylContact O-C 3.43Å; L130-A133 PolarHBondContact O-N 3.16Å; L130-A133 VanDerWaalsContact O-N 3.1Å; R131-A133 VanDerWaalsContact C-N 3.28Å; R131-A133 PolarHBondContact O-N 3.48Å; A133-P135 VanDerWaalsContact C-CD 3.46Å; A133-Y136 PolarHBondContact O-N 3.45Å; A133-I137 HydrophobicContact CB-CD1 4.15Å; A133-I137 HydrophobicContact CB-CG2 4.39Å; A133-I137 WeakPolarHBondContact O-CG1 3.45Å; A133-I137 PolarHBondContact O-N 3.26Å
134E95.8Very high97.4Very high52 Ų5244.4 Ų44.424%0.24322%0.221CC..G310 helixtrans-50.9-44.8-166.3-175.4153.4-133.100114.5L130 R131 Y136 I137 H223 G231L130-E134 WeakPolarHBondContact O-CA 3.45Å; L130-E134 PolarHBondContact O-N 2.98Å; R131-E134 WeakPolarHBondContact O-CB 3.44Å; R131-E134 PolarHBondContact O-N 3.08Å; E134-Y136 PolarHBondContact O-N 3.28Å; E134-I137 PolarHBondContact O-N 3.16Å; E134-H223 IonicContact OE1-NE2 3.02Å; E134-G231 PolarHBondContact O-N 3.33Å
135P96.4Very high97.5Very high58 Ų5841.2 Ų41.238%0.37721%0.207SC..G310 helixtrans-66.8-11.6180-20.333.9000114.6R93 A133R93-P135 WeakPolarHBondContact CD-O 3.36Å; A133-P135 VanDerWaalsContact C-CD 3.46Å
136Y97.4Very high97.5Very high24 Ų2438.2 Ų38.29%0.09418%0.182CC..G310 helixtrans-110.3-9.1-175-62.5-93.4000113.4I92 R93 G97 V98 P99 V102 A133 E134I92-Y136 WeakPolarHBondContact CG1-O 3.32Å; I92-Y136 PolarHBondContact N-O 2.92Å; R93-Y136 HydrophobicContact CB-CD1 3.72Å; R93-Y136 HydrophobicContact CB-CG 4.44Å; R93-Y136 PolarHBondContact N-O 3.29Å; G97-Y136 PolarHBondContact O-OH 2.99Å; V98-Y136 HydrophobicContact CB-CE1 4.32Å; V98-Y136 HydrophobicContact CG1-CE1 4.24Å; V98-Y136 HydrophobicContact CG2-CD1 4.09Å; V98-Y136 HydrophobicContact CG2-CE1 3.64Å; P99-Y136 WeakPolarHBondContact CD-OH 3.21Å; V102-Y136 HydrophobicContact CB-CE2 4.45Å; V102-Y136 HydrophobicContact CG1-CD2 3.56Å; V102-Y136 HydrophobicContact CG1-CE2 3.77Å; V102-Y136 HydrophobicContact CG1-CG 4.23Å; V102-Y136 HydrophobicContact CG2-CE2 4.44Å; A133-Y136 PolarHBondContact O-N 3.45Å; E134-Y136 PolarHBondContact O-N 3.28Å
137I98Very high97.5Very high0 Ų037.6 Ų37.60%018%0.178CC..EExtended strand (participates in β ladder)trans-124.9150.8-175.564.3176.2000110.9V89 I90 L106 L111 L130 A133 E134 W139 G231V89-I137 HydrophobicContact CG1-CB 3.93Å; V89-I137 HydrophobicContact CG1-CD1 3.81Å; V89-I137 HydrophobicContact CG1-CG1 4.38Å; V89-I137 HydrophobicContact CG1-CG2 4.06Å; I90-I137 CarbonylContact O-C 3.59Å; I90-I137 VanDerWaalsContact O-CA 3.23Å; I90-I137 WeakPolarHBondContact O-CA 3.4Å; L106-I137 HydrophobicContact CD2-CG2 3.58Å; L111-I137 HydrophobicContact CD1-CG2 4.01Å; L130-I137 HydrophobicContact CB-CD1 4.23Å; L130-I137 HydrophobicContact CD2-CD1 3.6Å; A133-I137 HydrophobicContact CB-CD1 4.15Å; A133-I137 HydrophobicContact CB-CG2 4.39Å; A133-I137 WeakPolarHBondContact O-CG1 3.45Å; A133-I137 PolarHBondContact O-N 3.26Å; E134-I137 PolarHBondContact O-N 3.16Å; I137-W139 HydrophobicContact CD1-CG 4.37Å; I137-G231 PolarHBondContact O-N 2.84Å
138A98.3Very high97.6Very high0 Ų039.4 Ų39.40%018%0.182CC..EExtended strand (participates in β ladder)trans-111.7128.9161.700000107.3I90 I92 D229 R233 I237 L240I90-A138 PolarHBondContact N-O 3.49Å; I90-A138 PolarHBondContact O-N 2.82Å; I92-A138 HydrophobicContact CD1-CB 4.46Å; I92-A138 HydrophobicContact CG2-CB 3.64Å; A138-D229 WeakPolarHBondContact CB-O 3.35Å; A138-R233 VanDerWaalsContact CB-NH2 3.32Å; A138-I237 HydrophobicContact CB-CD1 4.43Å; A138-L240 HydrophobicContact CB-CD2 4.02Å
139W98.4Very high97.5Very high11 Ų1139 Ų394%0.04218%0.178CC..EExtended strand (participates in β ladder)trans-144.4162.8-179.667.9-79000112.5A87 F88 V89 L122 L130 I137 Y141 G231 N232 R233A87-W139 HydrophobicContact CB-CE3 3.91Å; A87-W139 HydrophobicContact CB-CZ3 4.37Å; F88-W139 VanDerWaalsContact O-CA 3.24Å; F88-W139 WeakPolarHBondContact O-CA 3.46Å; F88-W139 WeakPolarHBondContact O-CB 3.25Å; V89-W139 HydrophobicContact CB-CB 4.2Å; V89-W139 HydrophobicContact CG1-CB 4.16Å; V89-W139 HydrophobicContact CG2-CB 3.9Å; L122-W139 HydrophobicContact CD2-CZ3 4.13Å; L130-W139 HydrophobicContact CB-CZ2 4.31Å; L130-W139 HydrophobicContact CD1-CD2 3.98Å; L130-W139 HydrophobicContact CD1-CE3 3.97Å; L130-W139 HydrophobicContact CD1-CH2 4.29Å; L130-W139 HydrophobicContact CD1-CZ2 4.29Å; L130-W139 HydrophobicContact CD1-CZ3 4.13Å; I137-W139 HydrophobicContact CD1-CG 4.37Å; W139-Y141 HydrophobicContact CZ3-CE1 4.11Å; W139-G231 PolarHBondContact N-O 3.25Å; W139-N232 HydrophobicContact CD2-CB 4.2Å; W139-N232 HydrophobicContact CH2-CB 3.97Å; W139-N232 HydrophobicContact CZ2-CB 3.56Å; W139-N232 HydrophobicContact CZ3-CB 4.44Å; W139-N232 WeakPolarHBondContact O-CA 3.16Å; W139-N232 PolarHBondContact O-OD1 3.03Å; W139-R233 WeakPolarHBondContact O-CG 3.46Å; W139-R233 PolarHBondContact O-N 3.29Å
140G98.3Very high97.6Very high0 Ų036.3 Ų36.30%016%0.164CC..EExtended strand (participates in β ladder)trans176.5-164.3178.500000111A87 F88 P142 E234A87-G140 CarbonylContact C-O 3.43Å; A87-G140 VanDerWaalsContact CA-O 3.23Å; A87-G140 WeakPolarHBondContact CA-O 3.21Å; F88-G140 PolarHBondContact N-O 3.3Å; F88-G140 PolarHBondContact O-N 2.9Å; G140-P142 WeakPolarHBondContact O-CD 3.48Å; G140-E234 CarbonylContact C-O 3.43Å; G140-E234 WeakPolarHBondContact CA-O 3.42Å
141Y98.2Very high97.6Very high52 Ų5236.4 Ų36.420%0.20417%0.165CC..  trans-99.3111.9-170.8-44.1-52.2000110.7P84 L122 W139 N232 E234 I237 N238P84-Y141 HydrophobicContact CB-CD1 3.53Å; P84-Y141 HydrophobicContact CB-CD2 4.18Å; P84-Y141 HydrophobicContact CB-CE1 3.89Å; P84-Y141 HydrophobicContact CB-CE2 4.47Å; P84-Y141 HydrophobicContact CB-CG 3.7Å; P84-Y141 HydrophobicContact CG-CD1 3.44Å; P84-Y141 VanDerWaalsContact CG-CD1 3.44Å; P84-Y141 HydrophobicContact CG-CD2 3.73Å; P84-Y141 HydrophobicContact CG-CE1 3.26Å; P84-Y141 HydrophobicContact CG-CE2 3.56Å; P84-Y141 HydrophobicContact CG-CG 3.68Å; L122-Y141 HydrophobicContact CD1-CD1 3.92Å; L122-Y141 HydrophobicContact CD1-CE1 3.58Å; W139-Y141 HydrophobicContact CZ3-CE1 4.11Å; Y141-N232 PolarHBondContact OH-ND2 3.18Å; Y141-E234 HydrophobicContact CD2-CB 3.93Å; Y141-E234 HydrophobicContact CD2-CG 4.44Å; Y141-E234 HydrophobicContact CE2-CB 3.84Å; Y141-E234 HydrophobicContact CE2-CG 3.83Å; Y141-E234 PolarHBondContact N-O 3.4Å; Y141-I237 WeakPolarHBondContact O-CG2 3.3Å; Y141-N238 PolarHBondContact O-ND2 2.77Å
142P98.1Very high97.6Very high10 Ų1034.8 Ų34.87%0.06516%0.159CC..  trans-77.4135.6-179.133.3-35.5000110.5L86 F88 F119 G140 V147 N238 I241L86-P142 HydrophobicContact CD2-CG 3.72Å; L86-P142 HydrophobicContact CG-CG 3.93Å; F88-P142 HydrophobicContact CB-CB 4.09Å; F88-P142 HydrophobicContact CB-CG 3.99Å; F119-P142 HydrophobicContact CD1-CG 4.4Å; F119-P142 HydrophobicContact CE1-CG 4.21Å; G140-P142 WeakPolarHBondContact O-CD 3.48Å; P142-V147 HydrophobicContact CB-CG2 3.87Å; P142-V147 HydrophobicContact CG-CG2 3.97Å; P142-N238 VanDerWaalsContact CA-OD1 3.29Å; P142-N238 WeakPolarHBondContact CA-OD1 3.35Å; P142-I241 HydrophobicContact CB-CD1 4.46Å
143N97.1Very high97.6Very high49 Ų4938.3 Ų38.326%0.26217%0.173SC..  trans-79.6166.4169.665.146.7000111.3K145 S146 V147 N238N143-K145 PolarHBondContact O-N 3.02Å; N143-K145 WeakPolarHBondContact OD1-CB 3.44Å; N143-K145 PolarHBondContact OD1-N 3.03Å; N143-K145 VanDerWaalsContact OD1-N 3.12Å; N143-S146 PolarHBondContact O-N 3.39Å; N143-S146 VanDerWaalsContact O-N 3.12Å; N143-S146 PolarHBondContact OD1-N 3.34Å; N143-S146 PolarHBondContact OD1-OG 3.18Å; N143-V147 WeakPolarHBondContact O-CG2 3.44Å; N143-V147 PolarHBondContact O-N 3.25Å; N143-N238 PolarHBondContact N-OD1 3.49Å; N143-N238 WeakPolarHBondContact ND2-CB 3.47Å; N143-N238 PolarHBondContact ND2-OD1 2.91Å
144L97.4Very high97.6Very high32 Ų3240.8 Ų40.817%0.16818%0.182CC..Hα-helixtrans-54.8-38.3-179179.664.8000112.8Y58 R148 I188 Y192Y58-L144 HydrophobicContact CD1-CD2 4.25Å; Y58-L144 HydrophobicContact CD2-CD1 4.24Å; Y58-L144 HydrophobicContact CD2-CD2 3.35Å; Y58-L144 HydrophobicContact CD2-CG 4.44Å; Y58-L144 HydrophobicContact CE1-CD1 4.28Å; Y58-L144 HydrophobicContact CE2-CD1 3.85Å; Y58-L144 HydrophobicContact CE2-CD2 3.82Å; Y58-L144 HydrophobicContact CE2-CG 4.49Å; Y58-L144 HydrophobicContact CG-CD2 3.6Å; L144-R148 WeakPolarHBondContact O-CB 3.38Å; L144-R148 PolarHBondContact O-N 2.96Å; L144-I188 HydrophobicContact CD1-CG2 4.04Å; L144-Y192 HydrophobicContact CB-CD2 4.37Å; L144-Y192 HydrophobicContact CB-CE1 4.24Å; L144-Y192 HydrophobicContact CB-CE2 4.06Å; L144-Y192 HydrophobicContact CD1-CD1 3.9Å; L144-Y192 HydrophobicContact CD1-CD2 4.41Å; L144-Y192 HydrophobicContact CD1-CE1 4.31Å; L144-Y192 HydrophobicContact CD1-CG 3.95Å
145K97.6Very high97.6Very high110 Ų11038.6 Ų38.648%0.47817%0.173SC..Hα-helixtrans-63.8-48178.8179.1174.3177.5174.50110.9N143 R148 E149N143-K145 PolarHBondContact O-N 3.02Å; N143-K145 WeakPolarHBondContact OD1-CB 3.44Å; N143-K145 PolarHBondContact OD1-N 3.03Å; N143-K145 VanDerWaalsContact OD1-N 3.12Å; K145-R148 PolarHBondContact O-N 3.24Å; K145-E149 WeakPolarHBondContact CE-OE1 3.35Å; K145-E149 HydrophobicContact CG-CG 4.32Å; K145-E149 WeakPolarHBondContact CG-OE1 3.43Å; K145-E149 IonicContact NZ-OE1 2.81Å; K145-E149 WeakPolarHBondContact O-CB 3.4Å; K145-E149 VanDerWaalsContact O-CG 3.28Å; K145-E149 WeakPolarHBondContact O-CG 3.44Å; K145-E149 PolarHBondContact O-N 3.44Å
146S97.9Very high97.7Very high0 Ų037.7 Ų37.70%016%0.163CC..Hα-helixtrans-64.9-40.4179.1-71.40000112.3N143 L150 N238N143-S146 PolarHBondContact O-N 3.39Å; N143-S146 VanDerWaalsContact O-N 3.12Å; N143-S146 PolarHBondContact OD1-N 3.34Å; N143-S146 PolarHBondContact OD1-OG 3.18Å; S146-L150 WeakPolarHBondContact O-CB 3.43Å; S146-L150 WeakPolarHBondContact O-CD1 3.21Å; S146-L150 VanDerWaalsContact O-CG 3.23Å; S146-L150 WeakPolarHBondContact O-CG 3.35Å; S146-L150 PolarHBondContact O-N 3.29Å; S146-N238 WeakPolarHBondContact CB-OD1 3.33Å; S146-N238 PolarHBondContact OG-OD1 3.48Å; S146-N238 VanDerWaalsContact OG-OD1 3.14Å
147V98.2Very high97.7Very high0 Ų036.5 Ų36.50%016%0.159CC..Hα-helixtrans-60.8-48.9173.5176.80000110.9L86 F119 P142 N143 L150 I151 I188 I191 Y192L86-V147 HydrophobicContact CD2-CG2 4.24Å; F119-V147 HydrophobicContact CE1-CG1 4.47Å; F119-V147 HydrophobicContact CE1-CG2 3.92Å; F119-V147 HydrophobicContact CZ-CB 4.34Å; F119-V147 HydrophobicContact CZ-CG1 4.01Å; F119-V147 HydrophobicContact CZ-CG2 4.2Å; P142-V147 HydrophobicContact CB-CG2 3.87Å; P142-V147 HydrophobicContact CG-CG2 3.97Å; N143-V147 WeakPolarHBondContact O-CG2 3.44Å; N143-V147 PolarHBondContact O-N 3.25Å; V147-L150 PolarHBondContact O-N 3.49Å; V147-I151 HydrophobicContact CG1-CD1 3.88Å; V147-I151 WeakPolarHBondContact O-CG1 3.49Å; V147-I151 PolarHBondContact O-N 3.42Å; V147-I151 VanDerWaalsContact O-N 3.08Å; V147-I188 HydrophobicContact CG1-CG2 4.27Å; V147-I191 HydrophobicContact CG1-CG2 3.98Å; V147-Y192 HydrophobicContact CG2-CD2 4.25Å
148R97.8Very high97.6Very high85 Ų8541 Ų4132%0.32118%0.178SC..Hα-helixtrans-57.6-54.2179.1176.7176.3-73.7163-2.4111.2L144 K145 L150 I151 Y152 E185 I188L144-R148 WeakPolarHBondContact O-CB 3.38Å; L144-R148 PolarHBondContact O-N 2.96Å; K145-R148 PolarHBondContact O-N 3.24Å; R148-L150 VanDerWaalsContact C-N 3.32Å; R148-L150 PolarHBondContact O-N 2.83Å; R148-I151 PolarHBondContact O-N 3.44Å; R148-Y152 HydrophobicContact CG-CD2 3.45Å; R148-Y152 VanDerWaalsContact CG-CD2 3.45Å; R148-Y152 HydrophobicContact CG-CE2 3.6Å; R148-Y152 WeakPolarHBondContact O-CB 3.21Å; R148-Y152 VanDerWaalsContact O-CD2 3.26Å; R148-Y152 WeakPolarHBondContact O-CD2 3.5Å; R148-Y152 PolarHBondContact O-N 3.01Å; R148-E185 IonicContact NH2-OE2 2.77Å; R148-I188 HydrophobicContact CB-CD1 4.33Å; R148-I188 HydrophobicContact CG-CD1 4.13Å
149E97.5Very high97.4Very high62 Ų6242.7 Ų42.729%0.2919%0.189SC..Hα-helixtrans-63.9-36.4-177.2-68.5173.2170.400112.4K145 K153 N245K145-E149 WeakPolarHBondContact CE-OE1 3.35Å; K145-E149 HydrophobicContact CG-CG 4.32Å; K145-E149 WeakPolarHBondContact CG-OE1 3.43Å; K145-E149 IonicContact NZ-OE1 2.81Å; K145-E149 WeakPolarHBondContact O-CB 3.4Å; K145-E149 VanDerWaalsContact O-CG 3.28Å; K145-E149 WeakPolarHBondContact O-CG 3.44Å; K145-E149 PolarHBondContact O-N 3.44Å; E149-K153 WeakPolarHBondContact O-CB 3.47Å; E149-K153 PolarHBondContact O-N 3.15Å; E149-N245 VanDerWaalsContact CB-ND2 3.29Å; E149-N245 WeakPolarHBondContact CB-ND2 3.45Å; E149-N245 PolarHBondContact O-ND2 3.4Å
150L98.1Very high97Very high0 Ų051.5 Ų51.50%023%0.227CC..Hα-helixtrans-62.7-48.6175.1-79.8168.7000111.5F88 F119 S146 V147 R148 R154 G155 F208 L210 I241F88-L150 HydrophobicContact CD1-CD1 4.32Å; F88-L150 HydrophobicContact CD2-CD1 4.03Å; F88-L150 HydrophobicContact CE1-CD1 3.91Å; F88-L150 HydrophobicContact CE2-CD1 3.61Å; F88-L150 HydrophobicContact CG-CD1 4.34Å; F88-L150 HydrophobicContact CZ-CD1 3.52Å; F88-L150 HydrophobicContact CZ-CD2 4.02Å; F88-L150 HydrophobicContact CZ-CG 4.44Å; F119-L150 HydrophobicContact CE1-CD1 4.28Å; F119-L150 HydrophobicContact CZ-CB 4.47Å; F119-L150 HydrophobicContact CZ-CD1 3.95Å; S146-L150 WeakPolarHBondContact O-CB 3.43Å; S146-L150 WeakPolarHBondContact O-CD1 3.21Å; S146-L150 VanDerWaalsContact O-CG 3.23Å; S146-L150 WeakPolarHBondContact O-CG 3.35Å; S146-L150 PolarHBondContact O-N 3.29Å; V147-L150 PolarHBondContact O-N 3.49Å; R148-L150 VanDerWaalsContact C-N 3.32Å; R148-L150 PolarHBondContact O-N 2.83Å; L150-R154 CarbonylContact O-C 3.57Å; L150-R154 WeakPolarHBondContact O-CA 3.46Å; L150-R154 PolarHBondContact O-N 3.45Å; L150-G155 PolarHBondContact O-N 3.06Å; L150-G155 VanDerWaalsContact O-N 3.09Å; L150-F208 HydrophobicContact CB-CD1 4.34Å; L150-F208 HydrophobicContact CB-CE1 4.06Å; L150-F208 HydrophobicContact CB-CZ 4.36Å; L150-F208 HydrophobicContact CD2-CD1 4.46Å; L150-F208 VanDerWaalsContact O-CE1 3.3Å; L150-F208 WeakPolarHBondContact O-CE1 3.4Å; L150-L210 HydrophobicContact CD2-CD2 3.58Å; L150-I241 HydrophobicContact CD1-CD1 4.33Å; L150-I241 HydrophobicContact CD1-CG2 3.93Å; L150-I241 HydrophobicContact CD2-CG2 4.05Å; L150-I241 HydrophobicContact CG-CG2 3.9Å
151I97.8Very high96.7Very high1 Ų160.1 Ų60.11%0.00527%0.265CS..Hα-helixtrans-66.9-43.2-178.9-68.2172.6000110.6F119 V147 R148 G155 L166 I184 L187 I188 L205 F208F119-I151 HydrophobicContact CE2-CD1 4.35Å; F119-I151 HydrophobicContact CE2-CG1 4.32Å; V147-I151 HydrophobicContact CG1-CD1 3.88Å; V147-I151 WeakPolarHBondContact O-CG1 3.49Å; V147-I151 PolarHBondContact O-N 3.42Å; V147-I151 VanDerWaalsContact O-N 3.08Å; R148-I151 PolarHBondContact O-N 3.44Å; I151-G155 WeakPolarHBondContact O-CA 3.26Å; I151-G155 PolarHBondContact O-N 3.18Å; I151-L166 HydrophobicContact CG2-CD1 4.42Å; I151-I184 HydrophobicContact CG2-CG2 3.95Å; I151-L187 HydrophobicContact CG2-CD2 4.34Å; I151-I188 HydrophobicContact CB-CG1 4.2Å; I151-I188 HydrophobicContact CD1-CB 4.49Å; I151-I188 HydrophobicContact CD1-CG1 3.75Å; I151-I188 HydrophobicContact CG2-CG1 4.16Å; I151-L205 HydrophobicContact CD1-CD1 4.33Å; I151-L205 HydrophobicContact CG1-CD1 4.41Å; I151-F208 HydrophobicContact CG1-CE1 4.46Å; I151-F208 HydrophobicContact CG1-CZ 4.03Å
152Y97.6Very high96.5Very high120 Ų12063.3 Ų63.347%0.47128%0.283SS..Hα-helixtrans-69.5-45.7179.1-84-66.1000113.5R148 I184 E185 I188R148-Y152 HydrophobicContact CG-CD2 3.45Å; R148-Y152 VanDerWaalsContact CG-CD2 3.45Å; R148-Y152 HydrophobicContact CG-CE2 3.6Å; R148-Y152 WeakPolarHBondContact O-CB 3.21Å; R148-Y152 VanDerWaalsContact O-CD2 3.26Å; R148-Y152 WeakPolarHBondContact O-CD2 3.5Å; R148-Y152 PolarHBondContact O-N 3.01Å; Y152-I184 HydrophobicContact CD1-CD1 4.46Å; Y152-I184 HydrophobicContact CD1-CG2 4.2Å; Y152-I184 HydrophobicContact CE1-CB 4.35Å; Y152-I184 HydrophobicContact CE1-CD1 4.04Å; Y152-I184 HydrophobicContact CE1-CG2 3.66Å; Y152-I184 HydrophobicContact CE2-CG2 4.15Å; Y152-E185 WeakPolarHBondContact CE2-OE1 3.34Å; Y152-E185 PolarHBondContact OH-OE1 3.34Å; Y152-I188 HydrophobicContact CD2-CD1 4.03Å; Y152-I188 HydrophobicContact CE2-CD1 3.51Å
153K96.8Very high96.4Very high139 Ų13967.3 Ų67.360%0.60430%0.297SS*.Hα-helixtrans-84.5-37.1-172.7-169174.2179.4-1740113E149 N245E149-K153 WeakPolarHBondContact O-CB 3.47Å; E149-K153 PolarHBondContact O-N 3.15Å; K153-N245 VanDerWaalsContact CD-OXT 3.28Å; K153-N245 WeakPolarHBondContact CD-OXT 3.4Å; K153-N245 WeakPolarHBondContact CE-OXT 3.48Å; K153-N245 PolarHBondContact NZ-O 3.36Å; K153-N245 PolarHBondContact NZ-OXT 3.38Å
154R96.9Very high96.4Very high52 Ų5267.5 Ų67.520%0.19630%0.297CS..Hα-helixtrans-124.91.1-170.4-63.5-175.6177.9-102.92.8113.4L150 H156 F208 K209 S211 M244 N245L150-R154 CarbonylContact O-C 3.57Å; L150-R154 WeakPolarHBondContact O-CA 3.46Å; L150-R154 PolarHBondContact O-N 3.45Å; R154-H156 PolarHBondContact O-N 2.95Å; R154-H156 PolarHBondContact O-ND1 3.19Å; R154-F208 HydrophobicContact CB-CD1 3.97Å; R154-K209 PolarHBondContact NH1-O 3.15Å; R154-S211 PolarHBondContact NH2-OG 2.77Å; R154-M244 PolarHBondContact NH2-O 2.97Å; R154-N245 VanDerWaalsContact CD-OD1 3.32Å; R154-N245 WeakPolarHBondContact CD-OD1 3.41Å; R154-N245 PolarHBondContact NE-OD1 2.95Å; R154-N245 PolarHBondContact NE-OXT 2.8Å; R154-N245 PolarHBondContact NH2-OXT 3.07Å
155G96.7Very high96.4Very high5 Ų568 Ų685%0.05231%0.306CS..  trans-63.9124.5-179.300000112.7L150 I151 L166L150-G155 PolarHBondContact O-N 3.06Å; L150-G155 VanDerWaalsContact O-N 3.09Å; I151-G155 WeakPolarHBondContact O-CA 3.26Å; I151-G155 PolarHBondContact O-N 3.18Å; G155-L166 PolarHBondContact O-N 2.93Å
156H98Very high96.4Very high39 Ų3963.9 Ų63.918%0.18129%0.289CS..EExtended strand (participates in β ladder)trans-128136.9170.2-68.766.7000108.7R154 R163 I164 W206R154-H156 PolarHBondContact O-N 2.95Å; R154-H156 PolarHBondContact O-ND1 3.19Å; H156-R163 HydrophobicContact CB-CG 3.68Å; H156-R163 PolarHBondContact CE1-NH2 2.9Å; H156-R163 PolarHBondContact ND1-NH2 3.12Å; H156-R163 PolarHBondContact NE2-NH2 3.28Å; H156-I164 CarbonylContact C-O 3.54Å; H156-I164 WeakPolarHBondContact CA-O 3.3Å; H156-I164 WeakPolarHBondContact CB-O 3.15Å; H156-W206 HydrophobicContact CB-CB 4.03Å; H156-W206 WeakPolarHBondContact O-CB 3.4Å; H156-W206 PolarHBondContact O-N 2.79Å
157G97.2Very high96.3Very high0 Ų069.7 Ų69.70%033%0.325CS..EExtended strand (participates in β ladder)trans-89.4145.6173.300000111.7V159 I164 F204G157-V159 PolarHBondContact O-N 2.86Å; G157-I164 PolarHBondContact N-O 3.02Å; G157-I164 PolarHBondContact O-N 3.24Å; G157-F204 CarbonylContact C-O 3.56Å
158K95.8Very high96.1Very high94 Ų9474 Ų7441%0.40935%0.348SS..EExtended strand (participates in β ladder)trans-88.494.6168.6-175.9177.2178.5-177.70109M162 F204 W206K158-M162 WeakPolarHBondContact CA-O 3.37Å; K158-F204 WeakPolarHBondContact CB-O 3.36Å; K158-F204 PolarHBondContact N-O 2.83Å; K158-W206 HydrophobicContact CB-CE3 3.93Å; K158-W206 HydrophobicContact CB-CZ3 4.38Å; K158-W206 HydrophobicContact CD-CE3 4.46Å; K158-W206 HydrophobicContact CD-CZ3 4.36Å; K158-W206 HydrophobicContact CG-CE3 4.01Å; K158-W206 HydrophobicContact CG-CZ3 3.95Å
159V93.4Very high95.9Very high36 Ų3672.3 Ų72.322%0.21835%0.345CS..EExtended strand (participates in β ladder)trans-112.7122.2179.9-179.70000108.5G157 K161 M162 I164 F204G157-V159 PolarHBondContact O-N 2.86Å; V159-K161 PolarHBondContact O-N 3.32Å; V159-K161 VanDerWaalsContact O-N 3.15Å; V159-M162 PolarHBondContact N-O 3.39Å; V159-M162 WeakPolarHBondContact O-CA 3.38Å; V159-M162 WeakPolarHBondContact O-CB 3.4Å; V159-M162 PolarHBondContact O-N 3.42Å; V159-I164 HydrophobicContact CB-CD1 3.8Å; V159-I164 HydrophobicContact CB-CG1 4.39Å; V159-I164 HydrophobicContact CG1-CD1 4.21Å; V159-I164 HydrophobicContact CG2-CD1 4.37Å; V159-F204 HydrophobicContact CG2-CE2 4.08Å
160K91.3Very high95.7Very high196 Ų19670.6 Ų70.685%0.85234%0.341SS*.THydrogen-bonded Turntrans48.142.5-176.5-61.9-175.7177.1-174.90113.2M162K160-M162 PolarHBondContact O-N 3.08Å; K160-M162 VanDerWaalsContact O-N 3.11Å
161K91.3Very high95.6Very high181 Ų18172 Ų7279%0.78735%0.349SS*.THydrogen-bonded Turntrans64.32.4-175.4-54.8177.3179.2174.70115.7V159V159-K161 PolarHBondContact O-N 3.32Å; V159-K161 VanDerWaalsContact O-N 3.15Å
162M94.9Very high95.5Very high119 Ų11972 Ų7259%0.58635%0.348SS*.EExtended strand (participates in β ladder)trans-92.2152.4173.1-64.317253.700111.6K158 V159 K160 I164K158-M162 WeakPolarHBondContact CA-O 3.37Å; V159-M162 PolarHBondContact N-O 3.39Å; V159-M162 WeakPolarHBondContact O-CA 3.38Å; V159-M162 WeakPolarHBondContact O-CB 3.4Å; V159-M162 PolarHBondContact O-N 3.42Å; K160-M162 PolarHBondContact O-N 3.08Å; K160-M162 VanDerWaalsContact O-N 3.11Å; M162-I164 HydrophobicContact CB-CG1 4.3Å
163R96.1Very high95.3Very high94 Ų9470.2 Ų70.236%0.35535%0.345SS..EExtended strand (participates in β ladder)trans-91.8109.8173.7-178.7-176.7174.2-131.1-2.2108.8H156 W206H156-R163 HydrophobicContact CB-CG 3.68Å; H156-R163 PolarHBondContact CE1-NH2 2.9Å; H156-R163 PolarHBondContact ND1-NH2 3.12Å; H156-R163 PolarHBondContact NE2-NH2 3.28Å; R163-W206 HydrophobicContact CB-CD2 3.84Å; R163-W206 HydrophobicContact CB-CE3 3.82Å; R163-W206 HydrophobicContact CB-CG 4.34Å; R163-W206 HydrophobicContact CB-CH2 4.39Å; R163-W206 HydrophobicContact CB-CZ2 4.41Å; R163-W206 HydrophobicContact CB-CZ3 4.1Å; R163-W206 HydrophobicContact CG-CB 4.28Å; R163-W206 HydrophobicContact CG-CD2 3.9Å; R163-W206 HydrophobicContact CG-CE3 4.29Å; R163-W206 HydrophobicContact CG-CG 3.85Å
164I96.9Very high95.2Very high53 Ų5373.3 Ų73.327%0.27235%0.353SS..EExtended strand (participates in β ladder)trans-118.7134.2-178.2-53.9-173.8000109.3H156 G157 V159 M162 L171H156-I164 CarbonylContact C-O 3.54Å; H156-I164 WeakPolarHBondContact CA-O 3.3Å; H156-I164 WeakPolarHBondContact CB-O 3.15Å; G157-I164 PolarHBondContact N-O 3.02Å; G157-I164 PolarHBondContact O-N 3.24Å; V159-I164 HydrophobicContact CB-CD1 3.8Å; V159-I164 HydrophobicContact CB-CG1 4.39Å; V159-I164 HydrophobicContact CG1-CD1 4.21Å; V159-I164 HydrophobicContact CG2-CD1 4.37Å; M162-I164 HydrophobicContact CB-CG1 4.3Å; I164-L171 HydrophobicContact CG2-CD1 4.04Å; I164-L171 HydrophobicContact CG2-CD2 4.46Å
165A97.3Very high95.1Very high43 Ų4373 Ų7336%0.35536%0.358SS..EExtended strand (participates in β ladder)trans-64.9141.9175.900000111.1T167 L171A165-T167 VanDerWaalsContact C-N 3.33Å; A165-T167 HydrophobicContact CB-CG2 4.31Å; A165-T167 PolarHBondContact O-N 2.93Å; A165-L171 WeakPolarHBondContact O-CD1 3.5Å
166L96.3Very high95.1Very high23 Ų2373 Ų7312%0.1236%0.356CS..  trans-80.677.7-179.6-61.7-179.8000111I151 G155 I172 L187 F204 L205I151-L166 HydrophobicContact CG2-CD1 4.42Å; G155-L166 PolarHBondContact O-N 2.93Å; L166-I172 HydrophobicContact CD2-CG1 4.11Å; L166-L187 HydrophobicContact CD1-CD2 4.21Å; L166-F204 HydrophobicContact CD1-CE1 4.49Å; L166-F204 HydrophobicContact CD2-CE1 3.8Å; L166-F204 HydrophobicContact CD2-CZ 3.65Å; L166-L205 HydrophobicContact CD1-CD2 4.08Å
167T95.4Very high94.9Very high121 Ų12172.4 Ų72.474%0.74236%0.36SS*.  trans-92.2-29.1-179.3540000113.9A165A165-T167 VanDerWaalsContact C-N 3.33Å; A165-T167 HydrophobicContact CB-CG2 4.31Å; A165-T167 PolarHBondContact O-N 2.93Å
168D94Very high94.8Very high91 Ų9180.2 Ų80.249%0.48739%0.394SS..SBendtrans-135.2146.7-178.1-175.823.5000111.3A170 L171D168-A170 PolarHBondContact O-N 2.9Å; D168-A170 VanDerWaalsContact OD2-CB 3.28Å; D168-A170 WeakPolarHBondContact OD2-CB 3.44Å; D168-L171 WeakPolarHBondContact O-CB 3.43Å; D168-L171 PolarHBondContact O-N 3.07Å; D168-L171 VanDerWaalsContact O-N 3.11Å
169N95.4Very high94.8Very high50 Ų5079.2 Ų79.227%0.26739%0.388SS..THydrogen-bonded Turntrans-63.3-27178.6-72.5-38.2000112L171 I172 E173 C183 I184N169-L171 PolarHBondContact O-N 3.09Å; N169-L171 VanDerWaalsContact O-N 3.16Å; N169-I172 WeakPolarHBondContact O-CA 3.31Å; N169-I172 WeakPolarHBondContact O-CB 3.44Å; N169-I172 PolarHBondContact O-N 3.43Å; N169-E173 PolarHBondContact O-N 3.46Å; N169-C183 HydrophobicContact CB-CB 4.49Å; N169-C183 WeakPolarHBondContact OD1-CA 3.23Å; N169-I184 PolarHBondContact OD1-N 2.97Å
170A93.3Very high94.9Very high25 Ų2579.1 Ų79.121%0.20740%0.395CS..Hα-helixtrans-58.9-28.117500000113D168 I172 R174D168-A170 PolarHBondContact O-N 2.9Å; D168-A170 VanDerWaalsContact OD2-CB 3.28Å; D168-A170 WeakPolarHBondContact OD2-CB 3.44Å; A170-I172 VanDerWaalsContact C-N 3.25Å; A170-I172 PolarHBondContact O-N 3.3Å; A170-R174 WeakPolarHBondContact O-CB 3.42Å; A170-R174 WeakPolarHBondContact O-CD 3.25Å; A170-R174 WeakPolarHBondContact O-CG 3.39Å; A170-R174 PolarHBondContact O-N 2.87Å
171L94.9Very high95.2Very high30 Ų3070 Ų7016%0.15736%0.356CS..Hα-helixtrans-70.3-23.2176.1-63.7173000112.7I164 A165 D168 N169 P175I164-L171 HydrophobicContact CG2-CD1 4.04Å; I164-L171 HydrophobicContact CG2-CD2 4.46Å; A165-L171 WeakPolarHBondContact O-CD1 3.5Å; D168-L171 WeakPolarHBondContact O-CB 3.43Å; D168-L171 PolarHBondContact O-N 3.07Å; D168-L171 VanDerWaalsContact O-N 3.11Å; N169-L171 PolarHBondContact O-N 3.09Å; N169-L171 VanDerWaalsContact O-N 3.16Å; L171-P175 WeakPolarHBondContact O-CD 3.34Å; L171-P175 VanDerWaalsContact O-CG 3.28Å; L171-P175 WeakPolarHBondContact O-CG 3.49Å
172I95.6Very high95.4Very high0 Ų062.2 Ų62.20%032%0.322CS..Hα-helixtrans-92.7-47178.2-61.3176.8000109.9L166 N169 A170 R174 P175 L176 I181 I184 L187 F204L166-I172 HydrophobicContact CD2-CG1 4.11Å; N169-I172 WeakPolarHBondContact O-CA 3.31Å; N169-I172 WeakPolarHBondContact O-CB 3.44Å; N169-I172 PolarHBondContact O-N 3.43Å; A170-I172 VanDerWaalsContact C-N 3.25Å; A170-I172 PolarHBondContact O-N 3.3Å; I172-R174 PolarHBondContact O-N 3.16Å; I172-P175 WeakPolarHBondContact O-CD 3.49Å; I172-P175 WeakPolarHBondContact O-CG 3.31Å; I172-L176 HydrophobicContact CG2-CD1 4.17Å; I172-L176 WeakPolarHBondContact O-CB 3.23Å; I172-L176 PolarHBondContact O-N 2.89Å; I172-I181 HydrophobicContact CG2-CG2 3.92Å; I172-I184 HydrophobicContact CD1-CB 4.23Å; I172-I184 HydrophobicContact CD1-CG1 3.42Å; I172-I184 VanDerWaalsContact CD1-CG1 3.42Å; I172-L187 HydrophobicContact CD1-CD2 4.21Å; I172-F204 HydrophobicContact CG1-CE1 4.07Å; I172-F204 HydrophobicContact CG1-CZ 4.13Å
173E94.8Very high95.5Very high84 Ų8456.6 Ų56.639%0.39330%0.295SS..Hα-helixtrans-62-40.1-177.4-177.9174.2-156.900112.3N169 G177 I182N169-E173 PolarHBondContact O-N 3.46Å; E173-G177 WeakPolarHBondContact O-CA 3.29Å; E173-G177 PolarHBondContact O-N 3.1Å; E173-I182 HydrophobicContact CG-CB 4.33Å; E173-I182 HydrophobicContact CG-CG2 4.12Å
174R93.1Very high95.5Very high204 Ų20453.2 Ų53.277%0.7728%0.283SS*.Hα-helixtrans-57.2-52.4178.5-73.6171.6-172.6175.53.9113.2A170 I172A170-R174 WeakPolarHBondContact O-CB 3.42Å; A170-R174 WeakPolarHBondContact O-CD 3.25Å; A170-R174 WeakPolarHBondContact O-CG 3.39Å; A170-R174 PolarHBondContact O-N 2.87Å; I172-R174 PolarHBondContact O-N 3.16Å
175P94.8Very high95.6Very high46 Ų4652.2 Ų52.230%0.29928%0.278SS..Hα-helixtrans-81.3-32.717927.6-34.3000114.7L171 I172 F204L171-P175 WeakPolarHBondContact O-CD 3.34Å; L171-P175 VanDerWaalsContact O-CG 3.28Å; L171-P175 WeakPolarHBondContact O-CG 3.49Å; I172-P175 WeakPolarHBondContact O-CD 3.49Å; I172-P175 WeakPolarHBondContact O-CG 3.31Å; P175-F204 HydrophobicContact CB-CD2 4.3Å; P175-F204 HydrophobicContact CB-CE2 4.47Å; P175-F204 HydrophobicContact CG-CD2 3.8Å; P175-F204 HydrophobicContact CG-CE2 3.54Å; P175-F204 HydrophobicContact CG-CZ 4.33Å
176L96.4Very high95.6Very high5 Ų550.3 Ų50.33%0.02626%0.262CS..Hα-helixtrans-112-4.8-170.1-59.3175.2000114.5I172 K178 Y179 I181 L187 M200 F204I172-L176 HydrophobicContact CG2-CD1 4.17Å; I172-L176 WeakPolarHBondContact O-CB 3.23Å; I172-L176 PolarHBondContact O-N 2.89Å; L176-K178 PolarHBondContact O-N 3.1Å; L176-Y179 HydrophobicContact CD2-CD2 3.97Å; L176-Y179 HydrophobicContact CD2-CE2 4.29Å; L176-Y179 WeakPolarHBondContact O-CA 3.36Å; L176-Y179 WeakPolarHBondContact O-CB 3.44Å; L176-Y179 PolarHBondContact O-N 3.24Å; L176-I181 CarbonylContact C-O 3.38Å; L176-I181 HydrophobicContact CB-CB 3.88Å; L176-I181 HydrophobicContact CB-CD1 4.42Å; L176-I181 HydrophobicContact CB-CG2 4.29Å; L176-I181 HydrophobicContact CD1-CD1 4.4Å; L176-I181 HydrophobicContact CD1-CG2 4.23Å; L176-I181 PolarHBondContact O-N 2.92Å; L176-L187 HydrophobicContact CD1-CD1 4.08Å; L176-M200 HydrophobicContact CD2-CB 4.3Å; L176-F204 HydrophobicContact CD1-CB 3.94Å; L176-F204 HydrophobicContact CD1-CD1 3.64Å; L176-F204 HydrophobicContact CD1-CE1 4.27Å; L176-F204 HydrophobicContact CD1-CG 3.78Å; L176-F204 HydrophobicContact CD2-CB 4.14Å; L176-F204 HydrophobicContact CG-CB 4.3Å; L176-F204 HydrophobicContact CG-CG 4.24Å
177G94.8Very high95.6Very high26 Ų2649.2 Ų49.227%0.26826%0.256SS..G310 helixtrans-59.2-31.8-178.400000113.2E173 Y179 G180 I181E173-G177 WeakPolarHBondContact O-CA 3.29Å; E173-G177 PolarHBondContact O-N 3.1Å; G177-Y179 PolarHBondContact O-N 2.95Å; G177-Y179 VanDerWaalsContact O-N 3.16Å; G177-G180 PolarHBondContact O-N 2.82Å; G177-I181 PolarHBondContact N-O 3.36Å
178K95.8Very high95.8Very high164 Ų16443.5 Ų43.571%0.71322%0.221SC*.G310 helixtrans-61.6-20.7172.866.3178.6-179.4168.40114.3L176L176-K178 PolarHBondContact O-N 3.1Å
179Y96Very high96Very high72 Ų7240.3 Ų40.328%0.28220%0.203SC..G310 helixtrans-97.95.8176.1-57.8-60000112.6L176 G177 I181 N197 M200L176-Y179 HydrophobicContact CD2-CD2 3.97Å; L176-Y179 HydrophobicContact CD2-CE2 4.29Å; L176-Y179 WeakPolarHBondContact O-CA 3.36Å; L176-Y179 WeakPolarHBondContact O-CB 3.44Å; L176-Y179 PolarHBondContact O-N 3.24Å; G177-Y179 PolarHBondContact O-N 2.95Å; G177-Y179 VanDerWaalsContact O-N 3.16Å; Y179-I181 VanDerWaalsContact C-N 3.32Å; Y179-N197 HydrophobicContact CG-CB 4.34Å; Y179-N197 PolarHBondContact O-ND2 3.43Å; Y179-M200 HydrophobicContact CD2-CB 4Å; Y179-M200 HydrophobicContact CD2-CG 4.35Å; Y179-M200 HydrophobicContact CE1-CG 4.16Å; Y179-M200 HydrophobicContact CE2-CB 3.64Å; Y179-M200 HydrophobicContact CE2-CG 3.68Å; Y179-M200 HydrophobicContact CE2-SD 4.37Å
180G94.6Very high96.1Very high35 Ų3539.2 Ų39.236%0.36120%0.196SC..THydrogen-bonded Turntrans81.94.7-177.600000115R50 G177R50-G180 PolarHBondContact NH1-O 3.31Å; G177-G180 PolarHBondContact O-N 2.82Å
181I96.9Very high96.3Very high4 Ų438 Ų382%0.02119%0.186CC..  trans-94.2103.7-179.6-52.4171.8000108.5I172 L176 G177 Y179 D186 L187 E190 A201I172-I181 HydrophobicContact CG2-CG2 3.92Å; L176-I181 CarbonylContact C-O 3.38Å; L176-I181 HydrophobicContact CB-CB 3.88Å; L176-I181 HydrophobicContact CB-CD1 4.42Å; L176-I181 HydrophobicContact CB-CG2 4.29Å; L176-I181 HydrophobicContact CD1-CD1 4.4Å; L176-I181 HydrophobicContact CD1-CG2 4.23Å; L176-I181 PolarHBondContact O-N 2.92Å; G177-I181 PolarHBondContact N-O 3.36Å; Y179-I181 VanDerWaalsContact C-N 3.32Å; I181-D186 HydrophobicContact CB-CB 4.45Å; I181-D186 HydrophobicContact CG2-CB 3.89Å; I181-L187 HydrophobicContact CG2-CB 4.13Å; I181-E190 HydrophobicContact CD1-CB 4.23Å; I181-E190 HydrophobicContact CD1-CG 3.92Å; I181-A201 HydrophobicContact CD1-CB 4.06Å
182I96.4Very high96.5Very high17 Ų1740.2 Ų40.29%0.08719%0.193CC..  trans-110.5-17.7-173.858.8170.4000113.5L46 I47 E173 D186L46-I182 HydrophobicContact CD2-CD1 4.02Å; I47-I182 HydrophobicContact CD1-CD1 4.22Å; I47-I182 HydrophobicContact CG1-CD1 3.58Å; I47-I182 HydrophobicContact CG1-CG1 4.07Å; E173-I182 HydrophobicContact CG-CB 4.33Å; E173-I182 HydrophobicContact CG-CG2 4.12Å; I182-D186 WeakPolarHBondContact CG1-OD2 3.46Å; I182-D186 PolarHBondContact N-OD2 3.19Å
183C96.6Very high96.6Very high2 Ų242.3 Ų42.31%0.01421%0.206CC..SBendtrans-140172.5-175.7700000112.9I47 N169 E185 D186 L187I47-C183 HydrophobicContact CD1-CB 4.04Å; I47-C183 HydrophobicContact CG1-CB 4.05Å; I47-C183 HydrophobicContact CG2-CB 3.86Å; N169-C183 HydrophobicContact CB-CB 4.49Å; N169-C183 WeakPolarHBondContact OD1-CA 3.23Å; C183-E185 VanDerWaalsContact C-N 3.32Å; C183-E185 PolarHBondContact O-N 3.46Å; C183-D186 PolarHBondContact O-N 3.22Å; C183-D186 VanDerWaalsContact SG-CG 3.52Å; C183-D186 PolarHBondContact SG-N 3.45Å; C183-L187 PolarHBondContact O-N 3.33Å; C183-L187 VanDerWaalsContact O-N 3.08Å
184I97.1Very high96.7Very high22 Ų2239 Ų3911%0.11319%0.192CC..Hα-helixtrans-60.3-39.9176.5-64.8169.6000111.7I151 Y152 N169 I172 L187 I188I151-I184 HydrophobicContact CG2-CG2 3.95Å; Y152-I184 HydrophobicContact CD1-CD1 4.46Å; Y152-I184 HydrophobicContact CD1-CG2 4.2Å; Y152-I184 HydrophobicContact CE1-CB 4.35Å; Y152-I184 HydrophobicContact CE1-CD1 4.04Å; Y152-I184 HydrophobicContact CE1-CG2 3.66Å; Y152-I184 HydrophobicContact CE2-CG2 4.15Å; N169-I184 PolarHBondContact OD1-N 2.97Å; I172-I184 HydrophobicContact CD1-CB 4.23Å; I172-I184 HydrophobicContact CD1-CG1 3.42Å; I172-I184 VanDerWaalsContact CD1-CG1 3.42Å; I184-L187 WeakPolarHBondContact O-CB 3.29Å; I184-L187 PolarHBondContact O-N 3.18Å; I184-I188 HydrophobicContact CG2-CD1 3.79Å; I184-I188 HydrophobicContact CG2-CG1 4.31Å; I184-I188 WeakPolarHBondContact O-CG1 3.44Å; I184-I188 PolarHBondContact O-N 3.16Å
185E97.5Very high96.8Very high32 Ų3230.3 Ų30.315%0.1517%0.165CC..Hα-helixtrans-67.5-37.1179.6-69.8-62.1139.300112.3A51 R148 Y152 C183 L187 I188 H189A51-E185 HydrophobicContact CB-CB 4.4Å; A51-E185 HydrophobicContact CB-CG 4.21Å; R148-E185 IonicContact NH2-OE2 2.77Å; Y152-E185 WeakPolarHBondContact CE2-OE1 3.34Å; Y152-E185 PolarHBondContact OH-OE1 3.34Å; C183-E185 VanDerWaalsContact C-N 3.32Å; C183-E185 PolarHBondContact O-N 3.46Å; E185-L187 VanDerWaalsContact C-N 3.31Å; E185-L187 PolarHBondContact O-N 2.81Å; E185-I188 PolarHBondContact O-N 3.32Å; E185-H189 WeakPolarHBondContact O-CB 3.28Å; E185-H189 PolarHBondContact O-N 3.17Å
186D97.6Very high96.9Very high4 Ų438.1 Ų38.12%0.02119%0.194CC..Hα-helixtrans-62.4-41171.4-71.7-23.6000110.6R50 Y54 I181 I182 C183 H189 E190R50-D186 IonicContact NH1-OD1 3.86Å; R50-D186 IonicContact NH1-OD2 2.99Å; R50-D186 PolarHBondContact NH1-OD2 3.13Å; Y54-D186 WeakPolarHBondContact CE2-OD1 3.28Å; Y54-D186 VanDerWaalsContact CZ-OD1 3.26Å; Y54-D186 PolarHBondContact OH-OD1 2.93Å; I181-D186 HydrophobicContact CB-CB 4.45Å; I181-D186 HydrophobicContact CG2-CB 3.89Å; I182-D186 WeakPolarHBondContact CG1-OD2 3.46Å; I182-D186 PolarHBondContact N-OD2 3.19Å; C183-D186 PolarHBondContact O-N 3.22Å; C183-D186 VanDerWaalsContact SG-CG 3.52Å; C183-D186 PolarHBondContact SG-N 3.45Å; D186-H189 PolarHBondContact O-N 3.08Å; D186-E190 WeakPolarHBondContact O-CB 3.14Å; D186-E190 PolarHBondContact O-N 3.42Å
187L97.8Very high96.9Very high0 Ų040.2 Ų40.20%021%0.206CC..Hα-helixtrans-64.5-44.7177.7-178.765.1000111.7I151 L166 I172 L176 I181 C183 I184 E185 H189 E190 I191 A201 F204 L205I151-L187 HydrophobicContact CG2-CD2 4.34Å; L166-L187 HydrophobicContact CD1-CD2 4.21Å; I172-L187 HydrophobicContact CD1-CD2 4.21Å; L176-L187 HydrophobicContact CD1-CD1 4.08Å; I181-L187 HydrophobicContact CG2-CB 4.13Å; C183-L187 PolarHBondContact O-N 3.33Å; C183-L187 VanDerWaalsContact O-N 3.08Å; I184-L187 WeakPolarHBondContact O-CB 3.29Å; I184-L187 PolarHBondContact O-N 3.18Å; E185-L187 VanDerWaalsContact C-N 3.31Å; E185-L187 PolarHBondContact O-N 2.81Å; L187-H189 VanDerWaalsContact C-N 3.32Å; L187-E190 PolarHBondContact O-N 2.82Å; L187-I191 HydrophobicContact CD1-CG1 4.46Å; L187-I191 WeakPolarHBondContact O-CB 3.39Å; L187-I191 VanDerWaalsContact O-CG1 3.24Å; L187-I191 WeakPolarHBondContact O-CG1 3.43Å; L187-I191 PolarHBondContact O-N 3.44Å; L187-I191 VanDerWaalsContact O-N 3.08Å; L187-A201 HydrophobicContact CD1-CB 3.71Å; L187-F204 HydrophobicContact CD2-CD1 4.38Å; L187-F204 HydrophobicContact CD2-CE1 4.23Å; L187-L205 HydrophobicContact CD2-CD2 3.98Å; L187-L205 HydrophobicContact CD2-CG 4.37Å
188I98.2Very high97.1Very high0 Ų039.5 Ų39.50%020%0.195CC..Hα-helixtrans-60.2-45.6175.2-70.2163.8000110L144 V147 R148 I151 Y152 I184 E185 I191 Y192L144-I188 HydrophobicContact CD1-CG2 4.04Å; V147-I188 HydrophobicContact CG1-CG2 4.27Å; R148-I188 HydrophobicContact CB-CD1 4.33Å; R148-I188 HydrophobicContact CG-CD1 4.13Å; I151-I188 HydrophobicContact CB-CG1 4.2Å; I151-I188 HydrophobicContact CD1-CB 4.49Å; I151-I188 HydrophobicContact CD1-CG1 3.75Å; I151-I188 HydrophobicContact CG2-CG1 4.16Å; Y152-I188 HydrophobicContact CD2-CD1 4.03Å; Y152-I188 HydrophobicContact CE2-CD1 3.51Å; I184-I188 HydrophobicContact CG2-CD1 3.79Å; I184-I188 HydrophobicContact CG2-CG1 4.31Å; I184-I188 WeakPolarHBondContact O-CG1 3.44Å; I184-I188 PolarHBondContact O-N 3.16Å; E185-I188 PolarHBondContact O-N 3.32Å; I188-I191 PolarHBondContact O-N 3.15Å; I188-Y192 VanDerWaalsContact O-CB 3.3Å; I188-Y192 WeakPolarHBondContact O-CB 3.23Å; I188-Y192 PolarHBondContact O-N 3.41Å
189H98.2Very high97.1Very high24 Ų2439.3 Ų39.311%0.11119%0.194CC..Hα-helixtrans-60.3-51.2179.4-175.973.9000111.7Y54 E57 Y58 E185 D186 L187 I191 Y192 T193Y54-H189 HydrophobicContact CD1-CB 4.35Å; Y54-H189 AromaticContact CD1-CD2 3.9Å; Y54-H189 AromaticContact CD1-CE1 3.64Å; Y54-H189 AromaticContact CD1-CG 3.67Å; Y54-H189 AromaticContact CD1-ND1 3.52Å; Y54-H189 AromaticContact CD1-NE2 3.9Å; Y54-H189 HydrophobicContact CD2-CB 4.05Å; Y54-H189 HydrophobicContact CE1-CB 4.37Å; Y54-H189 AromaticContact CE1-CD2 3.58Å; Y54-H189 AromaticContact CE1-CG 3.74Å; Y54-H189 AromaticContact CE1-NE2 3.78Å; Y54-H189 HydrophobicContact CE2-CB 4.07Å; Y54-H189 HydrophobicContact CG-CB 4.21Å; Y54-H189 AromaticContact CG-CG 3.96Å; Y54-H189 AromaticContact CG-ND1 3.83Å; E57-H189 IonicContact OE1-CE1 3.36Å; E57-H189 IonicContact OE2-CE1 3.89Å; E57-H189 PolarHBondContact OE2-CE1 3.2Å; E57-H189 IonicContact OE2-NE2 3.51Å; Y58-H189 AromaticContact CE1-ND1 3.59Å; Y58-H189 AromaticContact CZ-ND1 3.55Å; Y58-H189 WeakPolarHBondContact OH-CA 3.24Å; Y58-H189 VanDerWaalsContact OH-CB 3.24Å; Y58-H189 WeakPolarHBondContact OH-CB 3.32Å; Y58-H189 PolarHBondContact OH-ND1 2.91Å; E185-H189 WeakPolarHBondContact O-CB 3.28Å; E185-H189 PolarHBondContact O-N 3.17Å; D186-H189 PolarHBondContact O-N 3.08Å; L187-H189 VanDerWaalsContact C-N 3.32Å; H189-I191 VanDerWaalsContact C-N 3.28Å; H189-I191 PolarHBondContact O-N 3.33Å; H189-Y192 PolarHBondContact O-N 2.98Å; H189-T193 PolarHBondContact O-N 3.06Å; H189-T193 PolarHBondContact O-OG1 2.96Å
190E98Very high97.2Very high28 Ų2839.1 Ų39.113%0.13120%0.197CC..Hα-helixtrans-59.5-38.4-179.9-169.767.1-160.500112.5I181 D186 L187 V194 G195 K196 N197 F198 A201I181-E190 HydrophobicContact CD1-CB 4.23Å; I181-E190 HydrophobicContact CD1-CG 3.92Å; D186-E190 WeakPolarHBondContact O-CB 3.14Å; D186-E190 PolarHBondContact O-N 3.42Å; L187-E190 PolarHBondContact O-N 2.82Å; E190-V194 WeakPolarHBondContact O-CA 3.36Å; E190-V194 PolarHBondContact O-N 3.19Å; E190-G195 PolarHBondContact O-N 2.92Å; E190-G195 VanDerWaalsContact O-N 3.09Å; E190-G195 WeakPolarHBondContact OE1-CA 3.26Å; E190-K196 PolarHBondContact OE1-N 2.84Å; E190-K196 VanDerWaalsContact OE1-N 3.12Å; E190-N197 VanDerWaalsContact OE1-CA 3.27Å; E190-N197 WeakPolarHBondContact OE1-CA 3.19Å; E190-N197 PolarHBondContact OE1-N 3.12Å; E190-F198 PolarHBondContact OE1-N 3.19Å; E190-A201 HydrophobicContact CB-CB 4.47Å; E190-A201 HydrophobicContact CG-CB 4.02Å
191I98.3Very high97.4Very high0 Ų037.4 Ų37.40%018%0.179CC..Hα-helixtrans-69.9-49.8176.9-67.6-65.5000111.1L86 F119 V147 L187 I188 H189 V194 F198 A201 N202 L205L86-I191 HydrophobicContact CD2-CG2 4.27Å; L86-I191 WeakPolarHBondContact CD2-O 3.46Å; F119-I191 HydrophobicContact CB-CG2 4.42Å; F119-I191 HydrophobicContact CD1-CG2 4.17Å; F119-I191 HydrophobicContact CD2-CG2 3.69Å; F119-I191 HydrophobicContact CE1-CG2 4.42Å; F119-I191 HydrophobicContact CE2-CG2 3.93Å; F119-I191 HydrophobicContact CG-CG2 3.83Å; F119-I191 HydrophobicContact CZ-CG2 4.31Å; V147-I191 HydrophobicContact CG1-CG2 3.98Å; L187-I191 HydrophobicContact CD1-CG1 4.46Å; L187-I191 WeakPolarHBondContact O-CB 3.39Å; L187-I191 VanDerWaalsContact O-CG1 3.24Å; L187-I191 WeakPolarHBondContact O-CG1 3.43Å; L187-I191 PolarHBondContact O-N 3.44Å; L187-I191 VanDerWaalsContact O-N 3.08Å; I188-I191 PolarHBondContact O-N 3.15Å; H189-I191 VanDerWaalsContact C-N 3.28Å; H189-I191 PolarHBondContact O-N 3.33Å; I191-V194 PolarHBondContact O-N 2.86Å; I191-F198 HydrophobicContact CD1-CD2 4.02Å; I191-F198 HydrophobicContact CD1-CE2 3.82Å; I191-F198 HydrophobicContact CG2-CE2 4.29Å; I191-A201 HydrophobicContact CD1-CB 3.96Å; I191-A201 HydrophobicContact CG1-CB 4.45Å; I191-N202 HydrophobicContact CD1-CB 3.87Å; I191-L205 HydrophobicContact CD1-CD1 4.19Å; I191-L205 HydrophobicContact CG1-CD1 4.2Å
192Y98.1Very high97.4Very high75 Ų7538.2 Ų38.229%0.29418%0.184SC..Hα-helixtrans-68-43.1-174-179.4-112.4000112.7Y58 L144 V147 I188 H189 V194Y58-Y192 HydrophobicContact CD1-CD1 4.14Å; Y58-Y192 HydrophobicContact CD1-CE1 4.12Å; Y58-Y192 AromaticContact CE1-CD1 3.73Å; Y58-Y192 HydrophobicContact CE1-CD1 3.73Å; Y58-Y192 HydrophobicContact CE1-CE1 4.19Å; L144-Y192 HydrophobicContact CB-CD2 4.37Å; L144-Y192 HydrophobicContact CB-CE1 4.24Å; L144-Y192 HydrophobicContact CB-CE2 4.06Å; L144-Y192 HydrophobicContact CD1-CD1 3.9Å; L144-Y192 HydrophobicContact CD1-CD2 4.41Å; L144-Y192 HydrophobicContact CD1-CE1 4.31Å; L144-Y192 HydrophobicContact CD1-CG 3.95Å; V147-Y192 HydrophobicContact CG2-CD2 4.25Å; I188-Y192 VanDerWaalsContact O-CB 3.3Å; I188-Y192 WeakPolarHBondContact O-CB 3.23Å; I188-Y192 PolarHBondContact O-N 3.41Å; H189-Y192 PolarHBondContact O-N 2.98Å; Y192-V194 VanDerWaalsContact C-N 3.29Å
193T97Very high97.4Very high44 Ų4441.4 Ų41.427%0.2720%0.201SC..Hα-helixtrans-82.2-9.6179.762.40000113.3Y58 H189Y58-T193 HydrophobicContact CE1-CG2 4.4Å; H189-T193 PolarHBondContact O-N 3.06Å; H189-T193 PolarHBondContact O-OG1 2.96Å
194V97.6Very high97.5Very high16 Ų1641.9 Ų41.910%0.09720%0.203CC..THydrogen-bonded Turntrans5657.3-174.5-166.90000110.7K85 L86 K121 E190 I191 Y192 F198K85-V194 HydrophobicContact CB-CB 4.25Å; K85-V194 HydrophobicContact CB-CG2 3.85Å; L86-V194 HydrophobicContact CB-CG2 3.79Å; L86-V194 HydrophobicContact CD1-CG2 4.32Å; K121-V194 HydrophobicContact CB-CG1 4.13Å; K121-V194 HydrophobicContact CD-CG1 3.52Å; K121-V194 HydrophobicContact CG-CG1 3.68Å; E190-V194 WeakPolarHBondContact O-CA 3.36Å; E190-V194 PolarHBondContact O-N 3.19Å; I191-V194 PolarHBondContact O-N 2.86Å; Y192-V194 VanDerWaalsContact C-N 3.29Å; V194-F198 HydrophobicContact CB-CD2 4.38Å; V194-F198 HydrophobicContact CG1-CB 4.28Å; V194-F198 HydrophobicContact CG1-CD1 4.49Å; V194-F198 HydrophobicContact CG1-CD2 4.07Å; V194-F198 HydrophobicContact CG1-CG 4.01Å; V194-F198 HydrophobicContact CG2-CD2 4.46Å
195G95.3Very high97.5Very high20 Ų2040.9 Ų40.921%0.20620%0.198CC..  trans-66.4-177.8-178.400000114.3E190 N197 F198E190-G195 PolarHBondContact O-N 2.92Å; E190-G195 VanDerWaalsContact O-N 3.09Å; E190-G195 WeakPolarHBondContact OE1-CA 3.26Å; G195-N197 VanDerWaalsContact C-N 3.25Å; G195-N197 PolarHBondContact O-N 3.4Å; G195-F198 WeakPolarHBondContact O-CB 3.21Å; G195-F198 PolarHBondContact O-N 3.26Å
196K96.6Very high97.5Very high211 Ų21143.1 Ų43.192%0.91721%0.205SC*.THydrogen-bonded Turntrans-60.2-35.7-176.5-65.5-176.8180-178.20112.3E190E190-K196 PolarHBondContact OE1-N 2.84Å; E190-K196 VanDerWaalsContact OE1-N 3.12Å
197N97.4Very high97.5Very high49 Ų4943.6 Ų43.626%0.26221%0.208SC..THydrogen-bonded Turntrans-100.114.9-176.1-63.6-46.6000112.9Y179 E190 G195 K199 M200 A201Y179-N197 HydrophobicContact CG-CB 4.34Å; Y179-N197 PolarHBondContact O-ND2 3.43Å; E190-N197 VanDerWaalsContact OE1-CA 3.27Å; E190-N197 WeakPolarHBondContact OE1-CA 3.19Å; E190-N197 PolarHBondContact OE1-N 3.12Å; G195-N197 VanDerWaalsContact C-N 3.25Å; G195-N197 PolarHBondContact O-N 3.4Å; N197-K199 PolarHBondContact O-N 2.84Å; N197-K199 VanDerWaalsContact O-N 3.13Å; N197-M200 PolarHBondContact O-N 3.45Å; N197-A201 PolarHBondContact O-N 3.04Å
198F97.9Very high97.5Very high10 Ų1043.8 Ų43.84%0.04421%0.209CC..Hα-helixtrans-47.6-43.9177.7176.7-90.5000113.1L86 F119 K121 E190 I191 V194 G195 M200 A201 N202L86-F198 HydrophobicContact CD1-CE2 3.62Å; L86-F198 HydrophobicContact CD1-CZ 3.77Å; F119-F198 HydrophobicContact CB-CZ 4.27Å; K121-F198 HydrophobicContact CB-CD1 3.82Å; K121-F198 HydrophobicContact CB-CE1 3.52Å; K121-F198 HydrophobicContact CB-CZ 4.17Å; K121-F198 HydrophobicContact CD-CD1 4.45Å; E190-F198 PolarHBondContact OE1-N 3.19Å; I191-F198 HydrophobicContact CD1-CD2 4.02Å; I191-F198 HydrophobicContact CD1-CE2 3.82Å; I191-F198 HydrophobicContact CG2-CE2 4.29Å; V194-F198 HydrophobicContact CB-CD2 4.38Å; V194-F198 HydrophobicContact CG1-CB 4.28Å; V194-F198 HydrophobicContact CG1-CD1 4.49Å; V194-F198 HydrophobicContact CG1-CD2 4.07Å; V194-F198 HydrophobicContact CG1-CG 4.01Å; V194-F198 HydrophobicContact CG2-CD2 4.46Å; G195-F198 WeakPolarHBondContact O-CB 3.21Å; G195-F198 PolarHBondContact O-N 3.26Å; F198-M200 VanDerWaalsContact C-N 3.28Å; F198-M200 PolarHBondContact O-N 2.89Å; F198-A201 PolarHBondContact O-N 2.92Å; F198-N202 HydrophobicContact CD1-CB 4.44Å; F198-N202 HydrophobicContact CE1-CB 4.04Å; F198-N202 HydrophobicContact CZ-CB 4.15Å; F198-N202 WeakPolarHBondContact O-CB 3.21Å; F198-N202 PolarHBondContact O-N 2.88Å
199K97.1Very high97.5Very high161 Ų16147.7 Ų47.770%0.723%0.226SC*.Hα-helixtrans-59.1-40.5-179.9-177.8177.3176.7-179.70111.6N197 N203N197-K199 PolarHBondContact O-N 2.84Å; N197-K199 VanDerWaalsContact O-N 3.13Å; K199-N203 WeakPolarHBondContact O-CB 3.3Å; K199-N203 PolarHBondContact O-N 3.35Å; K199-N203 VanDerWaalsContact O-N 3.08Å
200M97.2Very high97.5Very high67 Ų6747.3 Ų47.333%0.3323%0.225SC..Hα-helixtrans-74.2-45.8-179.2-60.8-60.714000111L176 Y179 N197 F198 N202 N203 F204L176-M200 HydrophobicContact CD2-CB 4.3Å; Y179-M200 HydrophobicContact CD2-CB 4Å; Y179-M200 HydrophobicContact CD2-CG 4.35Å; Y179-M200 HydrophobicContact CE1-CG 4.16Å; Y179-M200 HydrophobicContact CE2-CB 3.64Å; Y179-M200 HydrophobicContact CE2-CG 3.68Å; Y179-M200 HydrophobicContact CE2-SD 4.37Å; N197-M200 PolarHBondContact O-N 3.45Å; F198-M200 VanDerWaalsContact C-N 3.28Å; F198-M200 PolarHBondContact O-N 2.89Å; M200-N202 PolarHBondContact O-N 3.26Å; M200-N203 PolarHBondContact O-N 2.82Å; M200-F204 WeakPolarHBondContact O-CB 3.43Å; M200-F204 PolarHBondContact O-N 2.83Å
201A97.8Very high97.4Very high0 Ų048.3 Ų48.30%024%0.235CC..Hα-helixtrans-57.4-48.6175.100000112.3I181 L187 E190 I191 N197 F198 F204 L205I181-A201 HydrophobicContact CD1-CB 4.06Å; L187-A201 HydrophobicContact CD1-CB 3.71Å; E190-A201 HydrophobicContact CB-CB 4.47Å; E190-A201 HydrophobicContact CG-CB 4.02Å; I191-A201 HydrophobicContact CD1-CB 3.96Å; I191-A201 HydrophobicContact CG1-CB 4.45Å; N197-A201 PolarHBondContact O-N 3.04Å; F198-A201 PolarHBondContact O-N 2.92Å; A201-F204 WeakPolarHBondContact O-CB 3.42Å; A201-F204 PolarHBondContact O-N 3.14Å; A201-L205 PolarHBondContact O-N 3.04Å
202N97.8Very high97.3Very high20 Ų2052.1 Ų52.111%0.10726%0.262CS..Hα-helixtrans-71.4-33-178.7-173.834.2000112.9R110 F119 I191 F198 M200 L205R110-N202 PolarHBondContact NH1-O 2.99Å; R110-N202 PolarHBondContact NH2-O 3.3Å; R110-N202 PolarHBondContact NH2-OD1 3.27Å; F119-N202 PolarHBondContact O-ND2 3.08Å; F119-N202 PolarHBondContact O-OD1 2.82Å; I191-N202 HydrophobicContact CD1-CB 3.87Å; F198-N202 HydrophobicContact CD1-CB 4.44Å; F198-N202 HydrophobicContact CE1-CB 4.04Å; F198-N202 HydrophobicContact CZ-CB 4.15Å; F198-N202 WeakPolarHBondContact O-CB 3.21Å; F198-N202 PolarHBondContact O-N 2.88Å; M200-N202 PolarHBondContact O-N 3.26Å; N202-L205 PolarHBondContact O-N 3.38Å; N202-L205 VanDerWaalsContact O-O 3.12Å
203N96.7Very high97.2Very high85 Ų8549.1 Ų49.146%0.45525%0.251SS..Hα-helixtrans-73.1-30.3175.3-172.952.8000112.5K199 M200K199-N203 WeakPolarHBondContact O-CB 3.3Å; K199-N203 PolarHBondContact O-N 3.35Å; K199-N203 VanDerWaalsContact O-N 3.08Å; M200-N203 PolarHBondContact O-N 2.82Å
204F97.5Very high97.2Very high11 Ų1157.5 Ų57.55%0.04828%0.278CS..Hα-helixtrans-63.2-41.8170166-103.1000111.4G157 K158 V159 L166 I172 P175 L176 L187 M200 A201 W206G157-F204 CarbonylContact C-O 3.56Å; K158-F204 WeakPolarHBondContact CB-O 3.36Å; K158-F204 PolarHBondContact N-O 2.83Å; V159-F204 HydrophobicContact CG2-CE2 4.08Å; L166-F204 HydrophobicContact CD1-CE1 4.49Å; L166-F204 HydrophobicContact CD2-CE1 3.8Å; L166-F204 HydrophobicContact CD2-CZ 3.65Å; I172-F204 HydrophobicContact CG1-CE1 4.07Å; I172-F204 HydrophobicContact CG1-CZ 4.13Å; P175-F204 HydrophobicContact CB-CD2 4.3Å; P175-F204 HydrophobicContact CB-CE2 4.47Å; P175-F204 HydrophobicContact CG-CD2 3.8Å; P175-F204 HydrophobicContact CG-CE2 3.54Å; P175-F204 HydrophobicContact CG-CZ 4.33Å; L176-F204 HydrophobicContact CD1-CB 3.94Å; L176-F204 HydrophobicContact CD1-CD1 3.64Å; L176-F204 HydrophobicContact CD1-CE1 4.27Å; L176-F204 HydrophobicContact CD1-CG 3.78Å; L176-F204 HydrophobicContact CD2-CB 4.14Å; L176-F204 HydrophobicContact CG-CB 4.3Å; L176-F204 HydrophobicContact CG-CG 4.24Å; L187-F204 HydrophobicContact CD2-CD1 4.38Å; L187-F204 HydrophobicContact CD2-CE1 4.23Å; M200-F204 WeakPolarHBondContact O-CB 3.43Å; M200-F204 PolarHBondContact O-N 2.83Å; A201-F204 WeakPolarHBondContact O-CB 3.42Å; A201-F204 PolarHBondContact O-N 3.14Å; F204-W206 PolarHBondContact O-N 3Å
205L97.9Very high97Very high1 Ų160.4 Ų60.41%0.00531%0.311CS..BIsolated β-bridgetrans-63124.4173-71.5171.6000110.7R110 F119 I151 L166 L187 I191 A201 N202 F208R110-L205 PolarHBondContact NH1-O 2.98Å; F119-L205 HydrophobicContact CD2-CD1 4.21Å; F119-L205 HydrophobicContact CE2-CD1 4.33Å; I151-L205 HydrophobicContact CD1-CD1 4.33Å; I151-L205 HydrophobicContact CG1-CD1 4.41Å; L166-L205 HydrophobicContact CD1-CD2 4.08Å; L187-L205 HydrophobicContact CD2-CD2 3.98Å; L187-L205 HydrophobicContact CD2-CG 4.37Å; I191-L205 HydrophobicContact CD1-CD1 4.19Å; I191-L205 HydrophobicContact CG1-CD1 4.2Å; A201-L205 PolarHBondContact O-N 3.04Å; N202-L205 PolarHBondContact O-N 3.38Å; N202-L205 VanDerWaalsContact O-O 3.12Å; L205-F208 HydrophobicContact CD1-CE2 4.49Å; L205-F208 HydrophobicContact CD1-CZ 4.17Å; L205-F208 HydrophobicContact CD2-CZ 4.38Å
206W97.5Very high96.9Very high79 Ų7961 Ų6130%0.29932%0.318SS..PPolyproline II helixtrans-68.9144.4166.7-159.3-82.1000109H156 K158 R163 F204 F208H156-W206 HydrophobicContact CB-CB 4.03Å; H156-W206 WeakPolarHBondContact O-CB 3.4Å; H156-W206 PolarHBondContact O-N 2.79Å; K158-W206 HydrophobicContact CB-CE3 3.93Å; K158-W206 HydrophobicContact CB-CZ3 4.38Å; K158-W206 HydrophobicContact CD-CE3 4.46Å; K158-W206 HydrophobicContact CD-CZ3 4.36Å; K158-W206 HydrophobicContact CG-CE3 4.01Å; K158-W206 HydrophobicContact CG-CZ3 3.95Å; R163-W206 HydrophobicContact CB-CD2 3.84Å; R163-W206 HydrophobicContact CB-CE3 3.82Å; R163-W206 HydrophobicContact CB-CG 4.34Å; R163-W206 HydrophobicContact CB-CH2 4.39Å; R163-W206 HydrophobicContact CB-CZ2 4.41Å; R163-W206 HydrophobicContact CB-CZ3 4.1Å; R163-W206 HydrophobicContact CG-CB 4.28Å; R163-W206 HydrophobicContact CG-CD2 3.9Å; R163-W206 HydrophobicContact CG-CE3 4.29Å; R163-W206 HydrophobicContact CG-CG 3.85Å; F204-W206 PolarHBondContact O-N 3Å; W206-F208 PolarHBondContact O-N 3.41Å
207P97.9Very high96.8Very high15 Ų1552.5 Ų52.510%0.09728%0.281CS..PPolyproline II helixtrans-48.1129.3172.8-30.135.5000112R110 G117 V118 K209R110-P207 HydrophobicContact CB-CG 3.66Å; G117-P207 CarbonylContact O-C 3.02Å; V118-P207 HydrophobicContact CG2-CB 3.87Å; V118-P207 HydrophobicContact CG2-CG 4.15Å; P207-K209 PolarHBondContact O-N 2.92Å
208F98.3Very high96.5Very high3 Ų356.2 Ų56.21%0.01330%0.301CS..EExtended strand (participates in β ladder)trans-65.4127-179.1-65.2-84.3000108.9F88 N116 G117 F119 L150 I151 R154 L205 W206 L210F88-F208 AromaticContact CE2-CD2 3.81Å; F88-F208 HydrophobicContact CE2-CD2 3.81Å; F88-F208 HydrophobicContact CE2-CE2 4.28Å; F88-F208 HydrophobicContact CZ-CD2 4.27Å; N116-F208 CarbonylContact C-O 3.49Å; N116-F208 VanDerWaalsContact CA-O 3.27Å; N116-F208 WeakPolarHBondContact CA-O 3.32Å; G117-F208 PolarHBondContact N-O 3.42Å; G117-F208 WeakPolarHBondContact O-CD2 3.33Å; G117-F208 PolarHBondContact O-N 2.94Å; F119-F208 AromaticContact CD2-CE2 3.74Å; F119-F208 HydrophobicContact CD2-CE2 3.74Å; F119-F208 HydrophobicContact CD2-CZ 4.32Å; F119-F208 HydrophobicContact CE2-CD2 4.48Å; F119-F208 AromaticContact CE2-CE2 3.37Å; F119-F208 HydrophobicContact CE2-CE2 3.37Å; F119-F208 AromaticContact CE2-CZ 3.61Å; F119-F208 HydrophobicContact CE2-CZ 3.61Å; F119-F208 HydrophobicContact CZ-CE2 4.14Å; F119-F208 HydrophobicContact CZ-CZ 4.37Å; L150-F208 HydrophobicContact CB-CD1 4.34Å; L150-F208 HydrophobicContact CB-CE1 4.06Å; L150-F208 HydrophobicContact CB-CZ 4.36Å; L150-F208 HydrophobicContact CD2-CD1 4.46Å; L150-F208 VanDerWaalsContact O-CE1 3.3Å; L150-F208 WeakPolarHBondContact O-CE1 3.4Å; I151-F208 HydrophobicContact CG1-CE1 4.46Å; I151-F208 HydrophobicContact CG1-CZ 4.03Å; R154-F208 HydrophobicContact CB-CD1 3.97Å; L205-F208 HydrophobicContact CD1-CE2 4.49Å; L205-F208 HydrophobicContact CD1-CZ 4.17Å; L205-F208 HydrophobicContact CD2-CZ 4.38Å; W206-F208 PolarHBondContact O-N 3.41Å; F208-L210 HydrophobicContact CB-CD2 4.05Å; F208-L210 HydrophobicContact CB-CG 4.47Å
209K97.1Very high96.3Very high83 Ų8361.4 Ų61.436%0.36132%0.324SS..EExtended strand (participates in β ladder)trans-90.2102.6170.6-63.9-163.8177.7-162.10107.9R154 P207R154-K209 PolarHBondContact NH1-O 3.15Å; P207-K209 PolarHBondContact O-N 2.92Å
210L97.8Very high96.1Very high15 Ų1557.8 Ų57.88%0.07931%0.308CS..PPolyproline II helixtrans-89.8156.6-179-52174.8000110.4F88 I90 F115 L150 F208 M244F88-L210 HydrophobicContact CE1-CD1 3.97Å; F88-L210 HydrophobicContact CZ-CD1 4.18Å; I90-L210 HydrophobicContact CD1-CD1 3.79Å; I90-L210 HydrophobicContact CG1-CD1 3.86Å; I90-L210 HydrophobicContact CG2-CD1 4.04Å; F115-L210 HydrophobicContact CB-CB 4.3Å; F115-L210 WeakPolarHBondContact O-CB 3.27Å; F115-L210 WeakPolarHBondContact O-CG 3.21Å; F115-L210 PolarHBondContact O-N 3.31Å; L150-L210 HydrophobicContact CD2-CD2 3.58Å; F208-L210 HydrophobicContact CB-CD2 4.05Å; F208-L210 HydrophobicContact CB-CG 4.47Å; L210-M244 HydrophobicContact CB-CB 4.1Å; L210-M244 HydrophobicContact CB-CE 3.77Å; L210-M244 HydrophobicContact CD1-CB 4.47Å; L210-M244 HydrophobicContact CD1-CE 3.98Å; L210-M244 HydrophobicContact CD1-SD 4.32Å
211S96.6Very high95.7Very high50 Ų5058.3 Ų58.335%0.3532%0.315SS..PPolyproline II helixtrans-81.8165.117053.60000110.7R154 M244R154-S211 PolarHBondContact NH2-OG 2.77Å; S211-M244 PolarHBondContact N-O 3.23Å; S211-M244 WeakPolarHBondContact O-CB 3.23Å; S211-M244 WeakPolarHBondContact O-CE 3.49Å; S211-M244 WeakPolarHBondContact O-CG 3.41Å; S211-M244 PolarHBondContact OG-O 3.44Å
212S96.2Very high95.6Very high80 Ų8059.6 Ų59.656%0.55932%0.323SS*.PPolyproline II helixtrans-53.9141.4165.7-580000110.1F115 R214F115-S212 WeakPolarHBondContact CE2-OG 3.48Å; S212-R214 PolarHBondContact O-N 3.25Å
213P96.9Very high95.6Very high11 Ų1161.1 Ų61.17%0.07133%0.33CS..PPolyproline II helixtrans-65.7128.8-179.523.4-29.9000110.6G215 G216 M217 L240 R243 M244P213-G215 PolarHBondContact O-N 2.97Å; P213-G216 PolarHBondContact O-N 2.88Å; P213-M217 HydrophobicContact CG-CG 3.5Å; P213-M217 HydrophobicContact CG-SD 4.3Å; P213-L240 HydrophobicContact CB-CD1 3.93Å; P213-L240 HydrophobicContact CG-CD1 4.35Å; P213-R243 HydrophobicContact CB-CB 4.16Å; P213-M244 HydrophobicContact CB-CG 3.67Å; P213-M244 HydrophobicContact CB-SD 4.5Å; P213-M244 HydrophobicContact CG-CG 4.33Å
214R95.8Very high95.5Very high220 Ų22060.4 Ų60.483%0.8332%0.322SS*.THydrogen-bonded Turntrans-58.9131.4169.5-172.7176.5172.9-178.2-2.3109.6S212 G216 R243S212-R214 PolarHBondContact O-N 3.25Å; R214-G216 VanDerWaalsContact C-N 3.29Å; R214-R243 PolarHBondContact N-O 3.02Å; R214-R243 WeakPolarHBondContact O-CD 3.12Å; R214-R243 PolarHBondContact O-NH1 3.5Å
215G94.2Very high95.4Very high78 Ų7865.7 Ų65.780%0.80436%0.356SS*.THydrogen-bonded Turntrans78.87.8-172.700000114.5P213P213-G215 PolarHBondContact O-N 2.97Å
216G93.8Very high95.3Very high33 Ų3372.5 Ų72.534%0.3439%0.387SS..  trans77-174.8171.700000115.2P213 R214 R243P213-G216 PolarHBondContact O-N 2.88Å; R214-G216 VanDerWaalsContact C-N 3.29Å; G216-R243 PolarHBondContact O-NH1 2.99Å; G216-R243 PolarHBondContact O-NH2 3.47Å
217M93.4Very high95.1Very high31 Ų3171 Ų7115%0.15340%0.396CS..  trans-111.2152.2170.1-72.3-162.3-71.600107.7I92 F115 P213 K220 D229I92-M217 HydrophobicContact CB-CE 4.19Å; I92-M217 HydrophobicContact CB-SD 4.15Å; I92-M217 HydrophobicContact CG2-CE 4.45Å; I92-M217 HydrophobicContact CG2-SD 3.88Å; F115-M217 HydrophobicContact CE1-CE 3.38Å; F115-M217 HydrophobicContact CE1-SD 4.12Å; F115-M217 HydrophobicContact CZ-CE 3.61Å; P213-M217 HydrophobicContact CG-CG 3.5Å; P213-M217 HydrophobicContact CG-SD 4.3Å; M217-K220 HydrophobicContact CB-CG 4.31Å; M217-K220 HydrophobicContact CE-CD 3.5Å; M217-K220 VanDerWaalsContact CE-CD 3.5Å; M217-K220 HydrophobicContact CE-CG 3.79Å; M217-D229 WeakPolarHBondContact CA-OD2 3.23Å; M217-D229 VanDerWaalsContact CB-OD2 3.23Å; M217-D229 WeakPolarHBondContact CB-OD2 3.02Å
218N91.2Very high95Very high127 Ų12770.3 Ų70.368%0.67939%0.391SS*.SBendtrans-70.5-90.4177.6-66.3-9.7000108.6G227 D229N218-G227 PolarHBondContact ND2-O 3.34Å; N218-D229 PolarHBondContact N-OD2 2.62Å
219K93.8Very high94.8Very high120 Ų12070.3 Ų70.352%0.52239%0.392SS..  trans-130.5111.5176.9-171.6169.6-178.4-177.80109.5T221 T222 G228 D229K219-T221 WeakPolarHBondContact CE-OG1 2.79Å; K219-T221 WeakPolarHBondContact CG-OG1 3.33Å; K219-T221 PolarHBondContact O-N 2.89Å; K219-T222 WeakPolarHBondContact CB-OG1 3.28Å; K219-T222 HydrophobicContact CD-CG2 3.72Å; K219-T222 HydrophobicContact CG-CG2 4.17Å; K219-T222 PolarHBondContact O-OG1 2.9Å; K219-G228 CarbonylContact O-C 3.57Å; K219-G228 WeakPolarHBondContact O-CA 3.24Å; K219-D229 PolarHBondContact O-N 2.83Å
220K91.9Very high94.8Very high85 Ų8566.4 Ų66.437%0.3738%0.375SS..THydrogen-bonded Turntrans-68.3-17.5-174.6-51.6-174.2-166-168.70113.8R93 M217R93-K220 HydrophobicContact CG-CB 4.3Å; M217-K220 HydrophobicContact CB-CG 4.31Å; M217-K220 HydrophobicContact CE-CD 3.5Å; M217-K220 VanDerWaalsContact CE-CD 3.5Å; M217-K220 HydrophobicContact CE-CG 3.79Å
221T90.4Very high94.8Very high78 Ų7865.7 Ų65.748%0.47937%0.371SS..THydrogen-bonded Turntrans-94-24.8-173.151.50000113.1K219K219-T221 WeakPolarHBondContact CE-OG1 2.79Å; K219-T221 WeakPolarHBondContact CG-OG1 3.33Å; K219-T221 PolarHBondContact O-N 2.89Å
222T95.2Very high94.8Very high27 Ų2765 Ų6517%0.16636%0.364CS..SBendtrans-94.4154.6-179.249.40000111.2K219 G228 D229 A230K219-T222 WeakPolarHBondContact CB-OG1 3.28Å; K219-T222 HydrophobicContact CD-CG2 3.72Å; K219-T222 HydrophobicContact CG-CG2 4.17Å; K219-T222 PolarHBondContact O-OG1 2.9Å; T222-G228 WeakPolarHBondContact O-CA 3.27Å; T222-G228 WeakPolarHBondContact OG1-CA 3.49Å; T222-D229 PolarHBondContact O-N 2.77Å; T222-A230 WeakPolarHBondContact O-CB 3.35Å; T222-A230 PolarHBondContact O-N 3.07Å
223H96.8Very high94.8Very high52 Ų5261.8 Ų61.824%0.24134%0.339CS..BIsolated β-bridgetrans-70.7153.9178.6-170-102.3000110.8E134 V225 E226 G228 A230E134-H223 IonicContact OE1-NE2 3.02Å; H223-V225 PolarHBondContact ND1-N 3.14Å; H223-V225 PolarHBondContact O-N 3.05Å; H223-E226 PolarHBondContact N-OE2 2.82Å; H223-E226 PolarHBondContact O-N 3.36Å; H223-G228 WeakPolarHBondContact O-CA 3.33Å; H223-G228 PolarHBondContact O-N 3.16Å; H223-A230 CarbonylContact C-O 3.6Å; H223-A230 PolarHBondContact CD2-O 3.34Å; H223-A230 VanDerWaalsContact CD2-O 3.31Å
224F96.1Very high94.8Very high69 Ų6966.8 Ų66.830%0.30336%0.362SS..G310 helixtrans-57.8-36.6-178.1-179.7-106.6000113.1E226 G227 A230 R233 Q236F224-E226 PolarHBondContact O-N 3.11Å; F224-G227 PolarHBondContact O-N 3.24Å; F224-G227 VanDerWaalsContact O-N 3.08Å; F224-A230 WeakPolarHBondContact CB-O 3.38Å; F224-A230 PolarHBondContact N-O 3.14Å; F224-R233 HydrophobicContact CB-CB 4.24Å; F224-R233 HydrophobicContact CD1-CB 3.5Å; F224-R233 HydrophobicContact CD2-CB 3.83Å; F224-R233 HydrophobicContact CE1-CB 3.74Å; F224-R233 HydrophobicContact CE2-CB 4.05Å; F224-R233 HydrophobicContact CG-CB 3.56Å; F224-R233 HydrophobicContact CZ-CB 4.02Å; F224-Q236 HydrophobicContact CE1-CB 4.45Å; F224-Q236 HydrophobicContact CE1-CG 4.3Å; F224-Q236 HydrophobicContact CE2-CB 4.49Å; F224-Q236 HydrophobicContact CZ-CB 3.88Å; F224-Q236 HydrophobicContact CZ-CG 3.87Å
225V95.1Very high94.8Very high123 Ų12361.2 Ų61.275%0.74535%0.348SS*.G310 helixtrans-63.6-27.4177.8177.80000112.2H223 G227H223-V225 PolarHBondContact ND1-N 3.14Å; H223-V225 PolarHBondContact O-N 3.05Å; V225-G227 VanDerWaalsContact C-N 3.28Å; V225-G227 PolarHBondContact O-N 3.14Å
226E94.8Very high95Very high144 Ų14460.7 Ų60.767%0.67333%0.325SS*.G310 helixtrans-92.115.8177.8-57.5168172.400112H223 F224 G228H223-E226 PolarHBondContact N-OE2 2.82Å; H223-E226 PolarHBondContact O-N 3.36Å; F224-E226 PolarHBondContact O-N 3.11Å; E226-G228 VanDerWaalsContact C-N 3.32Å; E226-G228 PolarHBondContact O-N 3.31Å
227G93.3Very high95.1Very high47 Ų4759.1 Ų59.149%0.48531%0.309SS..THydrogen-bonded Turntrans80.87.7-175.900000114.9N218 F224 V225N218-G227 PolarHBondContact ND2-O 3.34Å; F224-G227 PolarHBondContact O-N 3.24Å; F224-G227 VanDerWaalsContact O-N 3.08Å; V225-G227 VanDerWaalsContact C-N 3.28Å; V225-G227 PolarHBondContact O-N 3.14Å
228G95.6Very high95.4Very high0 Ų058 Ų580%030%0.304CS..SBendtrans-83.2-160.7174.800000114.9K219 T222 H223 E226K219-G228 CarbonylContact O-C 3.57Å; K219-G228 WeakPolarHBondContact O-CA 3.24Å; T222-G228 WeakPolarHBondContact O-CA 3.27Å; T222-G228 WeakPolarHBondContact OG1-CA 3.49Å; H223-G228 WeakPolarHBondContact O-CA 3.33Å; H223-G228 PolarHBondContact O-N 3.16Å; E226-G228 VanDerWaalsContact C-N 3.32Å; E226-G228 PolarHBondContact O-N 3.31Å
229D95.5Very high95.6Very high3 Ų359.8 Ų59.82%0.01630%0.301CS..SBendtrans-122.3-8.9178.3-86.3-66.3000114I92 A138 M217 N218 K219 T222 R233I92-D229 HydrophobicContact CD1-CB 4.2Å; A138-D229 WeakPolarHBondContact CB-O 3.35Å; M217-D229 WeakPolarHBondContact CA-OD2 3.23Å; M217-D229 VanDerWaalsContact CB-OD2 3.23Å; M217-D229 WeakPolarHBondContact CB-OD2 3.02Å; N218-D229 PolarHBondContact N-OD2 2.62Å; K219-D229 PolarHBondContact O-N 2.83Å; T222-D229 PolarHBondContact O-N 2.77Å; D229-R233 VanDerWaalsContact C-NH2 3.34Å; D229-R233 VanDerWaalsContact CA-NH2 3.3Å; D229-R233 PolarHBondContact O-NH2 2.81Å; D229-R233 IonicContact OD1-CZ 3.95Å; D229-R233 IonicContact OD1-NH1 3.53Å; D229-R233 PolarHBondContact OD1-NH1 2.69Å; D229-R233 IonicContact OD1-NH2 3.33Å; D229-R233 PolarHBondContact OD1-NH2 2.76Å
230A96.8Very high95.8Very high2 Ų254.1 Ų54.12%0.01728%0.276CS..BIsolated β-bridgetrans-78.1151.8-179.600000112.4I92 T222 H223 F224I92-A230 HydrophobicContact CD1-CB 4.13Å; T222-A230 WeakPolarHBondContact O-CB 3.35Å; T222-A230 PolarHBondContact O-N 3.07Å; H223-A230 CarbonylContact C-O 3.6Å; H223-A230 PolarHBondContact CD2-O 3.34Å; H223-A230 VanDerWaalsContact CD2-O 3.31Å; F224-A230 WeakPolarHBondContact CB-O 3.38Å; F224-A230 PolarHBondContact N-O 3.14Å
231G96.9Very high96Very high0 Ų050 Ų500%026%0.258CS..EExtended strand (participates in β ladder)trans82.6-158.9170.500000116.9E134 I137 W139E134-G231 PolarHBondContact O-N 3.33Å; I137-G231 PolarHBondContact O-N 2.84Å; W139-G231 PolarHBondContact N-O 3.25Å
232N97.6Very high96.3Very high35 Ų3552.1 Ų52.119%0.18726%0.258CS..EExtended strand (participates in β ladder)trans-79.5123.5-173.8-168.89.6000110.6W139 Y141 E234W139-N232 HydrophobicContact CD2-CB 4.2Å; W139-N232 HydrophobicContact CH2-CB 3.97Å; W139-N232 HydrophobicContact CZ2-CB 3.56Å; W139-N232 HydrophobicContact CZ3-CB 4.44Å; W139-N232 WeakPolarHBondContact O-CA 3.16Å; W139-N232 PolarHBondContact O-OD1 3.03Å; Y141-N232 PolarHBondContact OH-ND2 3.18Å; N232-E234 PolarHBondContact OD1-N 2.84Å
233R96.2Very high96.4Very high12 Ų1255 Ų555%0.04527%0.265CS..  trans-12215.4177.265.4174.577.2-169.49113A138 W139 F224 D229 D235 Q236 I237A138-R233 VanDerWaalsContact CB-NH2 3.32Å; W139-R233 WeakPolarHBondContact O-CG 3.46Å; W139-R233 PolarHBondContact O-N 3.29Å; F224-R233 HydrophobicContact CB-CB 4.24Å; F224-R233 HydrophobicContact CD1-CB 3.5Å; F224-R233 HydrophobicContact CD2-CB 3.83Å; F224-R233 HydrophobicContact CE1-CB 3.74Å; F224-R233 HydrophobicContact CE2-CB 4.05Å; F224-R233 HydrophobicContact CG-CB 3.56Å; F224-R233 HydrophobicContact CZ-CB 4.02Å; D229-R233 VanDerWaalsContact C-NH2 3.34Å; D229-R233 VanDerWaalsContact CA-NH2 3.3Å; D229-R233 PolarHBondContact O-NH2 2.81Å; D229-R233 IonicContact OD1-CZ 3.95Å; D229-R233 IonicContact OD1-NH1 3.53Å; D229-R233 PolarHBondContact OD1-NH1 2.69Å; D229-R233 IonicContact OD1-NH2 3.33Å; D229-R233 PolarHBondContact OD1-NH2 2.76Å; R233-D235 PolarHBondContact O-N 3.05Å; R233-Q236 HydrophobicContact CB-CB 4.22Å; R233-Q236 HydrophobicContact CG-CB 4.38Å; R233-Q236 VanDerWaalsContact O-CB 3.28Å; R233-Q236 WeakPolarHBondContact O-CB 3.48Å; R233-Q236 PolarHBondContact O-N 2.79Å; R233-I237 HydrophobicContact CG-CB 3.97Å; R233-I237 HydrophobicContact CG-CD1 4.13Å
234E96.3Very high96.3Very high116 Ų11652.5 Ų52.554%0.54225%0.254SS..G310 helixtrans49.1-120.2176.3-53.7-178.2177.300111.8G140 Y141 N232 Q236 I237G140-E234 CarbonylContact C-O 3.43Å; G140-E234 WeakPolarHBondContact CA-O 3.42Å; Y141-E234 HydrophobicContact CD2-CB 3.93Å; Y141-E234 HydrophobicContact CD2-CG 4.44Å; Y141-E234 HydrophobicContact CE2-CB 3.84Å; Y141-E234 HydrophobicContact CE2-CG 3.83Å; Y141-E234 PolarHBondContact N-O 3.4Å; N232-E234 PolarHBondContact OD1-N 2.84Å; E234-Q236 VanDerWaalsContact C-N 3.32Å; E234-Q236 PolarHBondContact O-N 3Å; E234-I237 VanDerWaalsContact O-CG2 3.25Å; E234-I237 WeakPolarHBondContact O-CG2 3.45Å
235D96.4Very high95.7Very high103 Ų10350.2 Ų50.255%0.55125%0.245SC*.G310 helixtrans-74.2-18.7-179.1-70.8-33.6000114R233 I237 N238R233-D235 PolarHBondContact O-N 3.05Å; D235-I237 PolarHBondContact O-N 3.21Å; D235-I237 VanDerWaalsContact O-N 3.16Å; D235-N238 WeakPolarHBondContact O-CB 2.96Å; D235-N238 PolarHBondContact O-N 3.33Å; D235-N238 PolarHBondContact O-ND2 3.47Å
236Q97.3Very high95.7Very high67 Ų6746.6 Ų46.631%0.31322%0.22SC..G310 helixtrans-68.2-14.5179.3-59.2-61.2-37.600112.1F224 R233 E234 N238 R239 L240F224-Q236 HydrophobicContact CE1-CB 4.45Å; F224-Q236 HydrophobicContact CE1-CG 4.3Å; F224-Q236 HydrophobicContact CE2-CB 4.49Å; F224-Q236 HydrophobicContact CZ-CB 3.88Å; F224-Q236 HydrophobicContact CZ-CG 3.87Å; R233-Q236 HydrophobicContact CB-CB 4.22Å; R233-Q236 HydrophobicContact CG-CB 4.38Å; R233-Q236 VanDerWaalsContact O-CB 3.28Å; R233-Q236 WeakPolarHBondContact O-CB 3.48Å; R233-Q236 PolarHBondContact O-N 2.79Å; E234-Q236 VanDerWaalsContact C-N 3.32Å; E234-Q236 PolarHBondContact O-N 3Å; Q236-N238 PolarHBondContact O-N 3.07Å; Q236-R239 PolarHBondContact O-N 2.94Å; Q236-R239 VanDerWaalsContact O-N 3.14Å; Q236-L240 PolarHBondContact O-N 3.2Å
237I97.6Very high95.7Very high0 Ų041.5 Ų41.50%020%0.196CC..Hα-helixtrans-57.8-32.7170.1-160.661.9000111.5I90 A138 Y141 R233 E234 D235 R239 L240 I241I90-I237 HydrophobicContact CD1-CD1 4.11Å; A138-I237 HydrophobicContact CB-CD1 4.43Å; Y141-I237 WeakPolarHBondContact O-CG2 3.3Å; R233-I237 HydrophobicContact CG-CB 3.97Å; R233-I237 HydrophobicContact CG-CD1 4.13Å; E234-I237 VanDerWaalsContact O-CG2 3.25Å; E234-I237 WeakPolarHBondContact O-CG2 3.45Å; D235-I237 PolarHBondContact O-N 3.21Å; D235-I237 VanDerWaalsContact O-N 3.16Å; I237-R239 VanDerWaalsContact C-N 3.28Å; I237-R239 PolarHBondContact O-N 3.24Å; I237-L240 HydrophobicContact CD1-CD2 4.14Å; I237-L240 PolarHBondContact O-N 3.3Å; I237-L240 VanDerWaalsContact O-N 3.14Å; I237-I241 HydrophobicContact CG1-CD1 4.09Å; I237-I241 HydrophobicContact CG1-CG1 4.32Å; I237-I241 HydrophobicContact CG2-CD1 4.32Å; I237-I241 VanDerWaalsContact O-CG1 3.27Å; I237-I241 WeakPolarHBondContact O-CG1 3.35Å; I237-I241 PolarHBondContact O-N 3.36Å
238N98.1Very high95.9Very high8 Ų841.2 Ų41.24%0.04318%0.18CC..Hα-helixtrans-65.7-34.1-179.3-63.6-69.6000111.7Y141 P142 N143 S146 D235 Q236 R242Y141-N238 PolarHBondContact O-ND2 2.77Å; P142-N238 VanDerWaalsContact CA-OD1 3.29Å; P142-N238 WeakPolarHBondContact CA-OD1 3.35Å; N143-N238 PolarHBondContact N-OD1 3.49Å; N143-N238 WeakPolarHBondContact ND2-CB 3.47Å; N143-N238 PolarHBondContact ND2-OD1 2.91Å; S146-N238 WeakPolarHBondContact CB-OD1 3.33Å; S146-N238 PolarHBondContact OG-OD1 3.48Å; S146-N238 VanDerWaalsContact OG-OD1 3.14Å; D235-N238 WeakPolarHBondContact O-CB 2.96Å; D235-N238 PolarHBondContact O-N 3.33Å; D235-N238 PolarHBondContact O-ND2 3.47Å; Q236-N238 PolarHBondContact O-N 3.07Å; N238-R242 VanDerWaalsContact O-CG 3.24Å; N238-R242 WeakPolarHBondContact O-CG 3.44Å; N238-R242 PolarHBondContact O-N 2.95Å; N238-R242 VanDerWaalsContact O-N 3.11Å
239R96.9Very high95.9Very high164 Ų16443.6 Ų43.662%0.61919%0.191SC*.Hα-helixtrans-67.6-43.3173.3-63.4-172.5-175.3164-7.5110.7Q236 I237 R242 R243Q236-R239 PolarHBondContact O-N 2.94Å; Q236-R239 VanDerWaalsContact O-N 3.14Å; I237-R239 VanDerWaalsContact C-N 3.28Å; I237-R239 PolarHBondContact O-N 3.24Å; R239-R242 PolarHBondContact O-N 3.4Å; R239-R243 WeakPolarHBondContact O-CG 3.47Å; R239-R243 PolarHBondContact O-N 3.03Å
240L96.6Very high95.9Very high1 Ų146.1 Ų46.11%0.00520%0.202CC..Hα-helixtrans-62.3-47.8176.2-178.863.2000111.6I90 A138 P213 Q236 I237 R242 R243 M244I90-L240 HydrophobicContact CD1-CD2 4.03Å; I90-L240 HydrophobicContact CD1-CG 4.33Å; A138-L240 HydrophobicContact CB-CD2 4.02Å; P213-L240 HydrophobicContact CB-CD1 3.93Å; P213-L240 HydrophobicContact CG-CD1 4.35Å; Q236-L240 PolarHBondContact O-N 3.2Å; I237-L240 HydrophobicContact CD1-CD2 4.14Å; I237-L240 PolarHBondContact O-N 3.3Å; I237-L240 VanDerWaalsContact O-N 3.14Å; L240-R242 VanDerWaalsContact C-N 3.3Å; L240-R242 PolarHBondContact O-N 3.26Å; L240-R243 PolarHBondContact O-N 2.96Å; L240-M244 HydrophobicContact CD1-CG 4.15Å; L240-M244 HydrophobicContact CD1-SD 3.78Å; L240-M244 HydrophobicContact CD2-SD 4.19Å; L240-M244 HydrophobicContact CG-CG 4.41Å; L240-M244 HydrophobicContact CG-SD 3.72Å; L240-M244 WeakPolarHBondContact O-CG 3.33Å; L240-M244 PolarHBondContact O-N 3.49Å; L240-M244 VanDerWaalsContact O-N 3.14Å
241I97.3Very high95.9Very high0 Ų049.1 Ų49.10%021%0.214CC..Hα-helixtrans-54.3-47.8177.3-69.1164.5000110.2F88 I90 P142 L150 I237 R243 M244 N245F88-I241 HydrophobicContact CB-CD1 4.23Å; F88-I241 HydrophobicContact CD1-CD1 3.47Å; F88-I241 VanDerWaalsContact CD1-CD1 3.47Å; F88-I241 HydrophobicContact CD1-CG1 3.68Å; F88-I241 HydrophobicContact CE1-CD1 4.04Å; F88-I241 HydrophobicContact CE1-CG1 3.83Å; F88-I241 HydrophobicContact CG-CD1 4.06Å; I90-I241 HydrophobicContact CD1-CG1 4.15Å; P142-I241 HydrophobicContact CB-CD1 4.46Å; L150-I241 HydrophobicContact CD1-CD1 4.33Å; L150-I241 HydrophobicContact CD1-CG2 3.93Å; L150-I241 HydrophobicContact CD2-CG2 4.05Å; L150-I241 HydrophobicContact CG-CG2 3.9Å; I237-I241 HydrophobicContact CG1-CD1 4.09Å; I237-I241 HydrophobicContact CG1-CG1 4.32Å; I237-I241 HydrophobicContact CG2-CD1 4.32Å; I237-I241 VanDerWaalsContact O-CG1 3.27Å; I237-I241 WeakPolarHBondContact O-CG1 3.35Å; I237-I241 PolarHBondContact O-N 3.36Å; I241-R243 VanDerWaalsContact C-N 3.27Å; I241-R243 PolarHBondContact O-N 3.08Å; I241-M244 CarbonylContact O-C 3.55Å; I241-M244 PolarHBondContact O-N 3.27Å; I241-N245 VanDerWaalsContact O-CB 3.23Å; I241-N245 WeakPolarHBondContact O-CB 3.39Å; I241-N245 PolarHBondContact O-N 2.74Å
242R96.5Very high95.8Very high122 Ų12252.6 Ų52.646%0.4623%0.229SC..Hα-helixtrans-60.9-33.4179.6-72.6171.8-170.1179.36.2113.4N238 R239 L240 M244N238-R242 VanDerWaalsContact O-CG 3.24Å; N238-R242 WeakPolarHBondContact O-CG 3.44Å; N238-R242 PolarHBondContact O-N 2.95Å; N238-R242 VanDerWaalsContact O-N 3.11Å; R239-R242 PolarHBondContact O-N 3.4Å; L240-R242 VanDerWaalsContact C-N 3.3Å; L240-R242 PolarHBondContact O-N 3.26Å; R242-M244 VanDerWaalsContact C-N 3.31Å
243R96.6Very high95.7Very high86 Ų8653.9 Ų53.933%0.32523%0.232SC..Hα-helixtrans-75.3-20.9176.2-64.6-171.9-55.2141.7-9.1113.1P213 R214 G216 R239 L240 I241P213-R243 HydrophobicContact CB-CB 4.16Å; R214-R243 PolarHBondContact N-O 3.02Å; R214-R243 WeakPolarHBondContact O-CD 3.12Å; R214-R243 PolarHBondContact O-NH1 3.5Å; G216-R243 PolarHBondContact O-NH1 2.99Å; G216-R243 PolarHBondContact O-NH2 3.47Å; R239-R243 WeakPolarHBondContact O-CG 3.47Å; R239-R243 PolarHBondContact O-N 3.03Å; L240-R243 PolarHBondContact O-N 2.96Å; I241-R243 VanDerWaalsContact C-N 3.27Å; I241-R243 PolarHBondContact O-N 3.08Å
244M96.1Very high95.6Very high0 Ų057.4 Ų57.40%025%0.248CC..Hα-helixtrans-105.7-8.2-177.4-63.7-177.474.400113.8I90 F115 R154 L210 S211 P213 L240 I241 R242I90-M244 HydrophobicContact CD1-SD 3.99Å; I90-M244 HydrophobicContact CG2-CE 3.95Å; I90-M244 HydrophobicContact CG2-SD 4.23Å; F115-M244 HydrophobicContact CB-CE 3.63Å; F115-M244 HydrophobicContact CD1-CE 3.21Å; F115-M244 HydrophobicContact CE1-CE 3.92Å; F115-M244 HydrophobicContact CG-CE 3.55Å; R154-M244 PolarHBondContact NH2-O 2.97Å; L210-M244 HydrophobicContact CB-CB 4.1Å; L210-M244 HydrophobicContact CB-CE 3.77Å; L210-M244 HydrophobicContact CD1-CB 4.47Å; L210-M244 HydrophobicContact CD1-CE 3.98Å; L210-M244 HydrophobicContact CD1-SD 4.32Å; S211-M244 PolarHBondContact N-O 3.23Å; S211-M244 WeakPolarHBondContact O-CB 3.23Å; S211-M244 WeakPolarHBondContact O-CE 3.49Å; S211-M244 WeakPolarHBondContact O-CG 3.41Å; S211-M244 PolarHBondContact OG-O 3.44Å; P213-M244 HydrophobicContact CB-CG 3.67Å; P213-M244 HydrophobicContact CB-SD 4.5Å; P213-M244 HydrophobicContact CG-CG 4.33Å; L240-M244 HydrophobicContact CD1-CG 4.15Å; L240-M244 HydrophobicContact CD1-SD 3.78Å; L240-M244 HydrophobicContact CD2-SD 4.19Å; L240-M244 HydrophobicContact CG-CG 4.41Å; L240-M244 HydrophobicContact CG-SD 3.72Å; L240-M244 WeakPolarHBondContact O-CG 3.33Å; L240-M244 PolarHBondContact O-N 3.49Å; L240-M244 VanDerWaalsContact O-N 3.14Å; I241-M244 CarbonylContact O-C 3.55Å; I241-M244 PolarHBondContact O-N 3.27Å; R242-M244 VanDerWaalsContact C-N 3.31Å
245N81.8Confident95.6Very high22 Ų2252.1 Ų52.112%0.11822%0.221CC..  trans-90.90-175.5-166.224.6000112.2E149 K153 R154 I241E149-N245 VanDerWaalsContact CB-ND2 3.29Å; E149-N245 WeakPolarHBondContact CB-ND2 3.45Å; E149-N245 PolarHBondContact O-ND2 3.4Å; K153-N245 VanDerWaalsContact CD-OXT 3.28Å; K153-N245 WeakPolarHBondContact CD-OXT 3.4Å; K153-N245 WeakPolarHBondContact CE-OXT 3.48Å; K153-N245 PolarHBondContact NZ-O 3.36Å; K153-N245 PolarHBondContact NZ-OXT 3.38Å; R154-N245 VanDerWaalsContact CD-OD1 3.32Å; R154-N245 WeakPolarHBondContact CD-OD1 3.41Å; R154-N245 PolarHBondContact NE-OD1 2.95Å; R154-N245 PolarHBondContact NE-OXT 2.8Å; R154-N245 PolarHBondContact NH2-OXT 3.07Å; I241-N245 VanDerWaalsContact O-CB 3.23Å; I241-N245 WeakPolarHBondContact O-CB 3.39Å; I241-N245 PolarHBondContact O-N 2.74Å

Retrieved 245 of 245 residues in 529 ms (Link to these results)

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