A0A087X7Z9_POEFO Loading...

Neutral cholesterol ester hydrolase 1

AlphaFold DB , UniProt , Accession A0A087X7Z9, Species POEFO (Poecilia formosa, Amazon molly), Gene NCEH1, Length 406 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
1M66Low85.8Confident206 Ų206128.5 Ų128.5100%1.01566%0.658SS**  0-52.40-154.6160.973.900112.8L3 R4 L5M1-L3 PolarHBondContact O-N 2.86Å; M1-R4 PolarHBondContact O-N 2.84Å; M1-L5 PolarHBondContact O-N 3.08Å; M1-L5 VanDerWaalsContact O-N 3.15Å
2R75.1Confident86.3Confident230 Ų230123 Ų12387%0.86865%0.646SS**Hα-helixtrans-60-41.7-178.8-66.6-177.1178.1-178-0.9115.4R4 L5 A6R2-R4 PolarHBondContact O-N 3.35Å; R2-L5 PolarHBondContact O-N 2.98Å; R2-A6 WeakPolarHBondContact O-CB 3.2Å; R2-A6 PolarHBondContact O-N 3.2Å
3L79.5Confident86.8Confident160 Ų160117.8 Ų117.884%0.83863%0.632SS**Hα-helixtrans-64.1-36.9176.1-81.3149.1000113.3M1 G7M1-L3 PolarHBondContact O-N 2.86Å; L3-G7 PolarHBondContact O-N 3.09Å
4R85.9Confident87.1Confident216 Ų216113.2 Ų113.282%0.81562%0.618SS**Hα-helixtrans-69.7-39.4177-68.1-174.6-179.5174.1-1.4111.5M1 R2 G7 A8M1-R4 PolarHBondContact O-N 2.84Å; R2-R4 PolarHBondContact O-N 3.35Å; R4-G7 PolarHBondContact O-N 3.31Å; R4-A8 WeakPolarHBondContact O-CB 3.36Å; R4-A8 PolarHBondContact O-N 3.29Å
5L89.4Confident87.5Confident120 Ų120109.7 Ų109.763%0.62861%0.61SS**Hα-helixtrans-66.1-45.3175.7-174.166.2000111.5M1 R2 G7 A8 V9M1-L5 PolarHBondContact O-N 3.08Å; M1-L5 VanDerWaalsContact O-N 3.15Å; R2-L5 PolarHBondContact O-N 2.98Å; L5-G7 VanDerWaalsContact C-N 3.35Å; L5-G7 PolarHBondContact O-N 2.87Å; L5-A8 PolarHBondContact O-N 3.24Å; L5-V9 WeakPolarHBondContact O-CG2 3.43Å; L5-V9 PolarHBondContact O-N 3.19Å
6A88.1Confident87.9Confident53 Ų53114.9 Ų114.944%0.43862%0.62SS.*Hα-helixtrans-60.4-43.5175.700000111.9R2 V9 L10R2-A6 WeakPolarHBondContact O-CB 3.2Å; R2-A6 PolarHBondContact O-N 3.2Å; A6-V9 PolarHBondContact O-N 2.73Å; A6-L10 WeakPolarHBondContact O-CG 2.99Å; A6-L10 PolarHBondContact O-N 2.76Å
7G90.4Very high88.1Confident30 Ų30112.1 Ų112.131%0.30960%0.599SS.*Hα-helixtrans-60.8-43.7174.500000113L3 R4 L5 V9 L10 L11L3-G7 PolarHBondContact O-N 3.09Å; R4-G7 PolarHBondContact O-N 3.31Å; L5-G7 VanDerWaalsContact C-N 3.35Å; L5-G7 PolarHBondContact O-N 2.87Å; G7-V9 PolarHBondContact O-N 3.23Å; G7-L10 PolarHBondContact O-N 3.35Å; G7-L11 WeakPolarHBondContact O-CB 3.45Å; G7-L11 WeakPolarHBondContact O-CG 3.46Å; G7-L11 PolarHBondContact O-N 2.8Å
8A91.2Very high88.4Confident55 Ų55108.3 Ų108.346%0.45558%0.58SS.*Hα-helixtrans-63.3-41177.700000112.5R4 L5 L11 A12R4-A8 WeakPolarHBondContact O-CB 3.36Å; R4-A8 PolarHBondContact O-N 3.29Å; L5-A8 PolarHBondContact O-N 3.24Å; A8-L11 PolarHBondContact O-N 2.98Å; A8-A12 WeakPolarHBondContact O-CB 3.31Å; A8-A12 PolarHBondContact O-N 3.33Å
9V93.4Very high88.7Confident89 Ų89110.6 Ų110.654%0.53958%0.581SS.*Hα-helixtrans-64.7-44.4176.9171.60000111.3L5 A6 G7 A12 A13L5-V9 WeakPolarHBondContact O-CG2 3.43Å; L5-V9 PolarHBondContact O-N 3.19Å; A6-V9 PolarHBondContact O-N 2.73Å; G7-V9 PolarHBondContact O-N 3.23Å; V9-A12 PolarHBondContact O-N 2.76Å; V9-A13 WeakPolarHBondContact O-CB 3.48Å; V9-A13 PolarHBondContact O-N 2.81Å
10L91.9Very high88.8Confident126 Ų126107 Ų10766%0.6656%0.562SS**Hα-helixtrans-64.2-41.2177.9-71.9172000112.1A6 G7 A13 A14A6-L10 WeakPolarHBondContact O-CG 2.99Å; A6-L10 PolarHBondContact O-N 2.76Å; G7-L10 PolarHBondContact O-N 3.35Å; L10-A13 PolarHBondContact O-N 2.52Å; L10-A14 WeakPolarHBondContact O-CB 3.32Å; L10-A14 PolarHBondContact O-N 3.39Å
11L92.4Very high88.9Confident129 Ų129106.6 Ų106.668%0.67557%0.565SS**Hα-helixtrans-63.9-43.3175.3-75.6168.2000111.9G7 A8 A14 A15G7-L11 WeakPolarHBondContact O-CB 3.45Å; G7-L11 WeakPolarHBondContact O-CG 3.46Å; G7-L11 PolarHBondContact O-N 2.8Å; A8-L11 PolarHBondContact O-N 2.98Å; L11-A14 PolarHBondContact O-N 3.31Å; L11-A15 WeakPolarHBondContact O-CB 3.34Å; L11-A15 PolarHBondContact O-N 2.74Å
12A92.8Very high90.1Very high62 Ų6298.3 Ų98.351%0.51253%0.525SS..Hα-helixtrans-63.3-41.6176.500000111.7A8 V9 A15 Y16A8-A12 WeakPolarHBondContact O-CB 3.31Å; A8-A12 PolarHBondContact O-N 3.33Å; V9-A12 PolarHBondContact O-N 2.76Å; A12-A15 PolarHBondContact O-N 2.98Å; A12-Y16 VanDerWaalsContact O-CB 3.29Å; A12-Y16 WeakPolarHBondContact O-CB 3.38Å; A12-Y16 PolarHBondContact O-N 2.98Å
13A92.6Very high90.9Very high56 Ų5690 Ų9046%0.46350%0.501SS..Hα-helixtrans-64.5-42.4175.800000112.2V9 L10 Y16 Y17V9-A13 WeakPolarHBondContact O-CB 3.48Å; V9-A13 PolarHBondContact O-N 2.81Å; L10-A13 PolarHBondContact O-N 2.52Å; A13-Y16 PolarHBondContact O-N 2.98Å; A13-Y17 WeakPolarHBondContact O-CB 3.49Å; A13-Y17 PolarHBondContact O-N 3.17Å
14A91.2Very high91.4Very high53 Ų5388.7 Ų88.744%0.43851%0.505SS..Hα-helixtrans-64.3-45.5175.700000111.7L10 L11 Y16 Y17 V18L10-A14 WeakPolarHBondContact O-CB 3.32Å; L10-A14 PolarHBondContact O-N 3.39Å; L11-A14 PolarHBondContact O-N 3.31Å; A14-Y16 VanDerWaalsContact C-N 3.34Å; A14-Y16 PolarHBondContact O-N 3.3Å; A14-Y17 PolarHBondContact O-N 3.3Å; A14-V18 WeakPolarHBondContact O-CG2 3.49Å; A14-V18 PolarHBondContact O-N 2.83Å
15A92.6Very high91.7Very high61 Ų6180 Ų8050%0.50448%0.483SS..Hα-helixtrans-61.2-42.8176.300000111.8L11 A12 Y17 V18 Y19L11-A15 WeakPolarHBondContact O-CB 3.34Å; L11-A15 PolarHBondContact O-N 2.74Å; A12-A15 PolarHBondContact O-N 2.98Å; A15-Y17 VanDerWaalsContact C-N 3.34Å; A15-Y17 PolarHBondContact O-N 2.85Å; A15-V18 PolarHBondContact O-N 2.92Å; A15-Y19 VanDerWaalsContact O-CB 3.26Å; A15-Y19 WeakPolarHBondContact O-CB 3.28Å; A15-Y19 PolarHBondContact O-N 3.08Å
16Y93.4Very high91.7Very high193 Ų19374.8 Ų74.876%0.75746%0.456SS*.Hα-helixtrans-62.9-38.9175.4-179.7-98.1000112.4A12 A13 A14A12-Y16 VanDerWaalsContact O-CB 3.29Å; A12-Y16 WeakPolarHBondContact O-CB 3.38Å; A12-Y16 PolarHBondContact O-N 2.98Å; A13-Y16 PolarHBondContact O-N 2.98Å; A14-Y16 VanDerWaalsContact C-N 3.34Å; A14-Y16 PolarHBondContact O-N 3.3Å
17Y92.8Very high91.4Very high67 Ų6774.7 Ų74.726%0.26345%0.452SS..Hα-helixtrans-69-39.8177.9-178-98.8000112.9A13 A14 A15 A37 R40 S41A13-Y17 WeakPolarHBondContact O-CB 3.49Å; A13-Y17 PolarHBondContact O-N 3.17Å; A14-Y17 PolarHBondContact O-N 3.3Å; A15-Y17 VanDerWaalsContact C-N 3.34Å; A15-Y17 PolarHBondContact O-N 2.85Å; Y17-A37 HydrophobicContact CD1-CB 4.11Å; Y17-A37 HydrophobicContact CE1-CB 3.94Å; Y17-R40 PolarHBondContact O-NH2 3.19Å; Y17-S41 VanDerWaalsContact CE1-OG 3.28Å; Y17-S41 WeakPolarHBondContact CE1-OG 3.47Å; Y17-S41 PolarHBondContact OH-N 3.45Å; Y17-S41 PolarHBondContact OH-OG 3.17Å; Y17-S41 VanDerWaalsContact OH-OG 3.06Å
18V93.4Very high91.4Very high43 Ų4375.1 Ų75.126%0.26145%0.446SS..Hα-helixtrans-70-39.5177171.80000111.2A14 A15 L20 M33 L34 A37A14-V18 WeakPolarHBondContact O-CG2 3.49Å; A14-V18 PolarHBondContact O-N 2.83Å; A15-V18 PolarHBondContact O-N 2.92Å; V18-L20 PolarHBondContact O-N 3.11Å; V18-M33 HydrophobicContact CG1-CB 4.23Å; V18-M33 WeakPolarHBondContact O-CB 3.42Å; V18-L34 HydrophobicContact CG2-CD1 4.5Å; V18-A37 HydrophobicContact CB-CB 4.37Å; V18-A37 HydrophobicContact CG2-CB 3.9Å
19Y93.3Very high91.5Very high152 Ų15274.9 Ų74.960%0.59644%0.44SS*.  trans-63.1118.9-178-177.9-101.9000111.5A15 M33A15-Y19 VanDerWaalsContact O-CB 3.26Å; A15-Y19 WeakPolarHBondContact O-CB 3.28Å; A15-Y19 PolarHBondContact O-N 3.08Å; Y19-M33 HydrophobicContact CD2-SD 4.21Å
20L90.7Very high91.4Very high39 Ų3978.2 Ų78.220%0.20444%0.443CS..  trans-135.7119173-178.671.9000107.2V18 L22 M33 P238V18-L20 PolarHBondContact O-N 3.11Å; L20-L22 HydrophobicContact CD2-CD2 4.11Å; L20-L22 HydrophobicContact CG-CD2 4.47Å; L20-L22 PolarHBondContact O-N 2.85Å; L20-L22 VanDerWaalsContact O-N 3.07Å; L20-M33 HydrophobicContact CB-CG 4.2Å; L20-M33 PolarHBondContact N-SD 2.95Å; L20-M33 VanDerWaalsContact N-SD 3.36Å; L20-M33 WeakPolarHBondContact O-CG 3.34Å; L20-P238 HydrophobicContact CD2-CG 3.47Å; L20-P238 VanDerWaalsContact CD2-CG 3.47Å
21P90.3Very high91.3Very high98 Ų9874 Ų7464%0.63642%0.42SS*.  trans-63.7115.5177.825.4-32.6000109.7
22L92.1Very high91.3Very high33 Ų3368 Ų6817%0.17339%0.388CS..  trans-102.1154.1178.4-67175.5000110.8L20 V26 P29 L32 M33 P238L20-L22 HydrophobicContact CD2-CD2 4.11Å; L20-L22 HydrophobicContact CG-CD2 4.47Å; L20-L22 PolarHBondContact O-N 2.85Å; L20-L22 VanDerWaalsContact O-N 3.07Å; L22-V26 HydrophobicContact CB-CG2 4.44Å; L22-V26 HydrophobicContact CD1-CG1 4.46Å; L22-P29 HydrophobicContact CB-CB 4.41Å; L22-P29 HydrophobicContact CD1-CB 3.86Å; L22-P29 WeakPolarHBondContact CD1-O 3.19Å; L22-L32 HydrophobicContact CD1-CB 3.97Å; L22-L32 HydrophobicContact CD1-CD2 3.97Å; L22-L32 HydrophobicContact CD1-CG 4.09Å; L22-M33 HydrophobicContact CD1-CG 3.8Å; L22-M33 HydrophobicContact CG-CG 4.22Å; L22-P238 HydrophobicContact CD2-CG 4Å
23P91.8Very high91.4Very high55 Ų5566.4 Ų66.436%0.35737%0.37SS..  trans-55143.9170.5-24.434.7000111.9G25 V26 V237 F345P23-G25 PolarHBondContact O-N 2.86Å; P23-G25 VanDerWaalsContact O-N 3.1Å; P23-V26 PolarHBondContact O-N 2.98Å; P23-V237 HydrophobicContact CG-CG2 4.26Å; P23-F345 HydrophobicContact CB-CD1 3.98Å; P23-F345 HydrophobicContact CB-CE1 3.34Å; P23-F345 HydrophobicContact CB-CZ 3.96Å; P23-F345 HydrophobicContact CG-CD1 3.89Å; P23-F345 HydrophobicContact CG-CE1 3.76Å
24S90.9Very high91.3Very high133 Ų13366.9 Ų66.993%0.9337%0.365SS*.THydrogen-bonded Turntrans-65.2-16.2-175.1580000114.7V26S24-V26 VanDerWaalsContact C-N 3.33Å
25G91.1Very high91.2Very high34 Ų3465.4 Ų65.435%0.35135%0.349SS..THydrogen-bonded Turntrans-79.1-11.4177.800000114.3P23 S27 D373P23-G25 PolarHBondContact O-N 2.86Å; P23-G25 VanDerWaalsContact O-N 3.1Å; G25-S27 PolarHBondContact O-N 2.9Å; G25-D373 WeakPolarHBondContact O-CA 3.25Å; G25-D373 WeakPolarHBondContact O-CB 3.31Å
26V90.4Very high91.1Very high9 Ų962.5 Ų62.56%0.05533%0.325CS..  trans-69120.7175.3178.20000108.9L22 P23 S24 E28 P29 L32 F345L22-V26 HydrophobicContact CB-CG2 4.44Å; L22-V26 HydrophobicContact CD1-CG1 4.46Å; P23-V26 PolarHBondContact O-N 2.98Å; S24-V26 VanDerWaalsContact C-N 3.33Å; V26-E28 PolarHBondContact O-N 3.18Å; V26-P29 HydrophobicContact CG1-CB 4.37Å; V26-P29 WeakPolarHBondContact O-CD 2.88Å; V26-L32 HydrophobicContact CG1-CD2 3.9Å; V26-F345 HydrophobicContact CG2-CD1 4.31Å; V26-F345 HydrophobicContact CG2-CD2 3.61Å; V26-F345 HydrophobicContact CG2-CE2 3.83Å; V26-F345 HydrophobicContact CG2-CG 3.87Å; V26-F345 HydrophobicContact CG2-CZ 4.28Å
27S81.7Confident91.1Very high51 Ų5153.6 Ų53.636%0.35729%0.291SS..SBendtrans-66.6-36.4-172.351.50000114.3G25 D373G25-S27 PolarHBondContact O-N 2.9Å; S27-D373 WeakPolarHBondContact CB-OD2 3.32Å; S27-D373 PolarHBondContact OG-OD2 2.96Å
28E90.3Very high90.9Very high39 Ų3954.4 Ų54.418%0.18230%0.3CS..SBendtrans-130.264.4-175.2-64174.4103.600111.5V26 W30 K31 L32 S388 S389V26-E28 PolarHBondContact O-N 3.18Å; E28-W30 VanDerWaalsContact C-N 3.28Å; E28-W30 PolarHBondContact O-N 3.47Å; E28-K31 HydrophobicContact CB-CB 4.34Å; E28-K31 HydrophobicContact CB-CD 4.09Å; E28-K31 HydrophobicContact CB-CG 4.32Å; E28-K31 PolarHBondContact O-N 3.25Å; E28-K31 VanDerWaalsContact O-N 3.07Å; E28-K31 WeakPolarHBondContact OE1-CE 3.37Å; E28-K31 IonicContact OE1-NZ 2.75Å; E28-K31 PolarHBondContact OE1-NZ 3.06Å; E28-L32 PolarHBondContact O-N 2.87Å; E28-S388 VanDerWaalsContact OE2-CA 3.26Å; E28-S388 WeakPolarHBondContact OE2-CA 3.39Å; E28-S388 PolarHBondContact OE2-OG 3.5Å; E28-S389 PolarHBondContact OE2-N 3.15Å; E28-S389 PolarHBondContact OE2-OG 3.36Å
29P91.9Very high90.5Very high51 Ų5154.7 Ų54.733%0.33130%0.298SS..Hα-helixtrans-62.6-33.7-165.724.1-33.5000112.7L22 V26 K31 L32 M33L22-P29 HydrophobicContact CB-CB 4.41Å; L22-P29 HydrophobicContact CD1-CB 3.86Å; L22-P29 WeakPolarHBondContact CD1-O 3.19Å; V26-P29 HydrophobicContact CG1-CB 4.37Å; V26-P29 WeakPolarHBondContact O-CD 2.88Å; P29-K31 VanDerWaalsContact C-N 3.35Å; P29-K31 PolarHBondContact O-N 3.49Å; P29-L32 PolarHBondContact O-N 2.95Å; P29-M33 HydrophobicContact CB-CE 4.46Å; P29-M33 WeakPolarHBondContact O-CB 3.35Å; P29-M33 VanDerWaalsContact O-CG 3.26Å; P29-M33 WeakPolarHBondContact O-CG 3.42Å; P29-M33 PolarHBondContact O-N 2.78Å
30W91.1Very high90.3Very high158 Ų15849 Ų4960%0.59828%0.275SS*.Hα-helixtrans-67.2-33.5178.772.8-94.3000113.4E28 M33 L34E28-W30 VanDerWaalsContact C-N 3.28Å; E28-W30 PolarHBondContact O-N 3.47Å; W30-M33 HydrophobicContact CB-CE 4.14Å; W30-L34 WeakPolarHBondContact O-CB 3.46Å; W30-L34 PolarHBondContact O-N 3.12Å
31K91.4Very high90.2Very high39 Ų3949.6 Ų49.617%0.1728%0.283CS..Hα-helixtrans-68.6-44.5174.7-66.3-175.8179.9173.70110E28 P29 L34 L35 M386 M387E28-K31 HydrophobicContact CB-CB 4.34Å; E28-K31 HydrophobicContact CB-CD 4.09Å; E28-K31 HydrophobicContact CB-CG 4.32Å; E28-K31 PolarHBondContact O-N 3.25Å; E28-K31 VanDerWaalsContact O-N 3.07Å; E28-K31 WeakPolarHBondContact OE1-CE 3.37Å; E28-K31 IonicContact OE1-NZ 2.75Å; E28-K31 PolarHBondContact OE1-NZ 3.06Å; P29-K31 VanDerWaalsContact C-N 3.35Å; P29-K31 PolarHBondContact O-N 3.49Å; K31-L34 PolarHBondContact O-N 3.46Å; K31-L35 WeakPolarHBondContact O-CB 3.31Å; K31-L35 PolarHBondContact O-N 2.94Å; K31-M386 WeakPolarHBondContact O-CE 3.37Å; K31-M387 PolarHBondContact NZ-O 2.99Å
32L91.6Very high89.9Confident3 Ų349.4 Ų49.42%0.01627%0.272CS..Hα-helixtrans-64.8-42.1177.8-174.156.3000111.6L22 V26 E28 P29 L34 L35 D36 P238 I239 F375L22-L32 HydrophobicContact CD1-CB 3.97Å; L22-L32 HydrophobicContact CD1-CD2 3.97Å; L22-L32 HydrophobicContact CD1-CG 4.09Å; V26-L32 HydrophobicContact CG1-CD2 3.9Å; E28-L32 PolarHBondContact O-N 2.87Å; P29-L32 PolarHBondContact O-N 2.95Å; L32-L34 PolarHBondContact O-N 3.3Å; L32-L35 HydrophobicContact CD1-CD2 4.38Å; L32-L35 PolarHBondContact O-N 2.99Å; L32-D36 WeakPolarHBondContact O-CB 3.49Å; L32-D36 PolarHBondContact O-N 3.29Å; L32-P238 HydrophobicContact CD1-CB 4.02Å; L32-P238 HydrophobicContact CG-CB 4.16Å; L32-P238 HydrophobicContact CG-CG 4.49Å; L32-I239 HydrophobicContact CD1-CG2 3.91Å; L32-F375 HydrophobicContact CD1-CD1 4.47Å; L32-F375 HydrophobicContact CD1-CD2 3.69Å; L32-F375 HydrophobicContact CD1-CE2 3.79Å; L32-F375 HydrophobicContact CD1-CG 4.07Å; L32-F375 HydrophobicContact CD1-CZ 4.22Å; L32-F375 HydrophobicContact CD2-CB 4.16Å; L32-F375 HydrophobicContact CD2-CD1 4.21Å; L32-F375 HydrophobicContact CD2-CD2 4.47Å; L32-F375 HydrophobicContact CD2-CG 4.03Å
33M93.9Very high89.5Confident28 Ų2848.3 Ų48.314%0.13827%0.266CS..Hα-helixtrans-58.6-44.3173.6-77.9-172.3-73.600112.4V18 Y19 L20 L22 P29 W30 A37V18-M33 HydrophobicContact CG1-CB 4.23Å; V18-M33 WeakPolarHBondContact O-CB 3.42Å; Y19-M33 HydrophobicContact CD2-SD 4.21Å; L20-M33 HydrophobicContact CB-CG 4.2Å; L20-M33 PolarHBondContact N-SD 2.95Å; L20-M33 VanDerWaalsContact N-SD 3.36Å; L20-M33 WeakPolarHBondContact O-CG 3.34Å; L22-M33 HydrophobicContact CD1-CG 3.8Å; L22-M33 HydrophobicContact CG-CG 4.22Å; P29-M33 HydrophobicContact CB-CE 4.46Å; P29-M33 WeakPolarHBondContact O-CB 3.35Å; P29-M33 VanDerWaalsContact O-CG 3.26Å; P29-M33 WeakPolarHBondContact O-CG 3.42Å; P29-M33 PolarHBondContact O-N 2.78Å; W30-M33 HydrophobicContact CB-CE 4.14Å; M33-A37 VanDerWaalsContact O-CB 3.31Å; M33-A37 WeakPolarHBondContact O-CB 3.3Å; M33-A37 PolarHBondContact O-N 3.36Å
34L91.6Very high89.2Confident66 Ų6652.4 Ų52.435%0.34627%0.274SS..Hα-helixtrans-67.1-45.4177.9-179.463.2000111.7V18 W30 K31 L32 D36 A37 L38 M386V18-L34 HydrophobicContact CG2-CD1 4.5Å; W30-L34 WeakPolarHBondContact O-CB 3.46Å; W30-L34 PolarHBondContact O-N 3.12Å; K31-L34 PolarHBondContact O-N 3.46Å; L32-L34 PolarHBondContact O-N 3.3Å; L34-D36 VanDerWaalsContact C-N 3.31Å; L34-D36 PolarHBondContact O-N 3.15Å; L34-A37 PolarHBondContact O-N 3.18Å; L34-L38 WeakPolarHBondContact O-CG 3.4Å; L34-L38 PolarHBondContact O-N 3.45Å; L34-M386 HydrophobicContact CB-CE 4.17Å; L34-M386 HydrophobicContact CD2-CE 4.28Å; L34-M386 HydrophobicContact CG-CE 4.26Å
35L89.4Confident89Confident22 Ų2248.8 Ų48.812%0.11525%0.252CS..Hα-helixtrans-57.5-47.817617859.9000110.9K31 L32 L38 F39 I239 F375 F381 M386K31-L35 WeakPolarHBondContact O-CB 3.31Å; K31-L35 PolarHBondContact O-N 2.94Å; L32-L35 HydrophobicContact CD1-CD2 4.38Å; L32-L35 PolarHBondContact O-N 2.99Å; L35-L38 WeakPolarHBondContact O-CB 3.22Å; L35-L38 PolarHBondContact O-N 2.92Å; L35-F39 WeakPolarHBondContact O-CB 3.45Å; L35-F39 PolarHBondContact O-N 3.39Å; L35-I239 HydrophobicContact CD2-CG2 3.68Å; L35-I239 HydrophobicContact CG-CG2 3.93Å; L35-F375 HydrophobicContact CD2-CE2 4.43Å; L35-F381 HydrophobicContact CD1-CD1 4.33Å; L35-F381 HydrophobicContact CD1-CE1 3.64Å; L35-F381 HydrophobicContact CD1-CZ 3.91Å; L35-F381 HydrophobicContact CD2-CD1 4.06Å; L35-F381 HydrophobicContact CD2-CD2 3.85Å; L35-F381 HydrophobicContact CD2-CE1 3.77Å; L35-F381 HydrophobicContact CD2-CE2 3.58Å; L35-F381 HydrophobicContact CD2-CG 4.1Å; L35-F381 HydrophobicContact CD2-CZ 3.53Å; L35-F381 HydrophobicContact CG-CE1 4.36Å; L35-F381 HydrophobicContact CG-CZ 4.28Å; L35-M386 HydrophobicContact CB-CE 3.58Å; L35-M386 HydrophobicContact CD1-CG 4.32Å
36D91Very high88.6Confident0 Ų047.3 Ų47.30%024%0.237CC..Hα-helixtrans-62.3-43.6177.7173.265.1000112.1L32 L34 L38 F39 R40 P238 Y241L32-D36 WeakPolarHBondContact O-CB 3.49Å; L32-D36 PolarHBondContact O-N 3.29Å; L34-D36 VanDerWaalsContact C-N 3.31Å; L34-D36 PolarHBondContact O-N 3.15Å; D36-L38 VanDerWaalsContact C-N 3.29Å; D36-L38 PolarHBondContact O-N 2.91Å; D36-F39 PolarHBondContact O-N 3.14Å; D36-R40 WeakPolarHBondContact O-CB 3.47Å; D36-R40 WeakPolarHBondContact O-CG 3.16Å; D36-R40 PolarHBondContact O-N 3.44Å; D36-R40 IonicContact OD1-NE 3.64Å; D36-R40 IonicContact OD2-CZ 3.79Å; D36-R40 VanDerWaalsContact OD2-CZ 3.26Å; D36-R40 IonicContact OD2-NE 3.95Å; D36-R40 PolarHBondContact OD2-NE 3.33Å; D36-R40 IonicContact OD2-NH2 3.34Å; D36-R40 PolarHBondContact OD2-NH2 3.32Å; D36-R40 VanDerWaalsContact OD2-NH2 3.12Å; D36-P238 HydrophobicContact CB-CB 3.57Å; D36-P238 HydrophobicContact CB-CG 3.69Å; D36-P238 VanDerWaalsContact CG-CG 3.46Å; D36-P238 WeakPolarHBondContact OD1-CB 3.22Å; D36-Y241 WeakPolarHBondContact OD1-CE2 3.17Å; D36-Y241 PolarHBondContact OD1-OH 2.87Å; D36-Y241 PolarHBondContact OD2-OH 2.88Å
37A91.8Very high88.3Confident5 Ų548.6 Ų48.64%0.04124%0.243CC..Hα-helixtrans-60.4-40.9177.300000111.7Y17 V18 M33 L34 S41Y17-A37 HydrophobicContact CD1-CB 4.11Å; Y17-A37 HydrophobicContact CE1-CB 3.94Å; V18-A37 HydrophobicContact CB-CB 4.37Å; V18-A37 HydrophobicContact CG2-CB 3.9Å; M33-A37 VanDerWaalsContact O-CB 3.31Å; M33-A37 WeakPolarHBondContact O-CB 3.3Å; M33-A37 PolarHBondContact O-N 3.36Å; L34-A37 PolarHBondContact O-N 3.18Å; A37-S41 VanDerWaalsContact O-CB 3.32Å; A37-S41 WeakPolarHBondContact O-CB 3.29Å; A37-S41 PolarHBondContact O-N 3.33Å; A37-S41 PolarHBondContact O-OG 2.99Å
38L88.2Confident88.4Confident84 Ų8448.5 Ų48.544%0.4425%0.246SC..Hα-helixtrans-62.4-51.4172.7-67.9171.5000110.5L34 L35 D36 R40 S41 F42L34-L38 WeakPolarHBondContact O-CG 3.4Å; L34-L38 PolarHBondContact O-N 3.45Å; L35-L38 WeakPolarHBondContact O-CB 3.22Å; L35-L38 PolarHBondContact O-N 2.92Å; D36-L38 VanDerWaalsContact C-N 3.29Å; D36-L38 PolarHBondContact O-N 2.91Å; L38-R40 PolarHBondContact O-N 2.92Å; L38-S41 WeakPolarHBondContact O-CB 3.16Å; L38-S41 PolarHBondContact O-N 3.49Å; L38-S41 VanDerWaalsContact O-N 3.16Å; L38-F42 HydrophobicContact CB-CE2 4.32Å; L38-F42 WeakPolarHBondContact O-CD2 3.28Å; L38-F42 PolarHBondContact O-N 3.36Å
39F86.1Confident88.1Confident50 Ų5047.5 Ų47.522%0.21924%0.244CC..Hα-helixtrans-60-47.8-179.2-167.7-103.3000112.5L35 D36 S41 F42 M43 Y244L35-F39 WeakPolarHBondContact O-CB 3.45Å; L35-F39 PolarHBondContact O-N 3.39Å; D36-F39 PolarHBondContact O-N 3.14Å; F39-S41 VanDerWaalsContact C-N 3.3Å; F39-S41 PolarHBondContact O-N 2.93Å; F39-F42 PolarHBondContact O-N 2.63Å; F39-M43 HydrophobicContact CD1-CG 3.94Å; F39-M43 HydrophobicContact CE1-CG 3.66Å; F39-M43 HydrophobicContact CE1-SD 4.18Å; F39-M43 HydrophobicContact CG-CG 4.48Å; F39-M43 HydrophobicContact CZ-CG 3.98Å; F39-M43 HydrophobicContact CZ-SD 3.96Å; F39-M43 WeakPolarHBondContact O-CB 3.32Å; F39-M43 VanDerWaalsContact O-CG 3.29Å; F39-M43 WeakPolarHBondContact O-CG 3.45Å; F39-M43 PolarHBondContact O-N 3.06Å; F39-Y244 HydrophobicContact CD1-CE2 4.28Å; F39-Y244 HydrophobicContact CE1-CD2 4.01Å; F39-Y244 AromaticContact CE1-CE2 3.8Å; F39-Y244 HydrophobicContact CE1-CE2 3.8Å
40R89.7Confident87.6Confident33 Ų3348.9 Ų48.913%0.12525%0.246CC..Hα-helixtrans-58.5-39.9174.3-77-168.9-70138.81.5111.9Y17 D36 L38 R44Y17-R40 PolarHBondContact O-NH2 3.19Å; D36-R40 WeakPolarHBondContact O-CB 3.47Å; D36-R40 WeakPolarHBondContact O-CG 3.16Å; D36-R40 PolarHBondContact O-N 3.44Å; D36-R40 IonicContact OD1-NE 3.64Å; D36-R40 IonicContact OD2-CZ 3.79Å; D36-R40 VanDerWaalsContact OD2-CZ 3.26Å; D36-R40 IonicContact OD2-NE 3.95Å; D36-R40 PolarHBondContact OD2-NE 3.33Å; D36-R40 IonicContact OD2-NH2 3.34Å; D36-R40 PolarHBondContact OD2-NH2 3.32Å; D36-R40 VanDerWaalsContact OD2-NH2 3.12Å; L38-R40 PolarHBondContact O-N 2.92Å; R40-R44 VanDerWaalsContact O-CB 3.32Å; R40-R44 WeakPolarHBondContact O-CB 3.26Å; R40-R44 WeakPolarHBondContact O-CG 3.29Å; R40-R44 PolarHBondContact O-N 3.09Å
41S88.7Confident87.2Confident51 Ų5146.1 Ų46.136%0.35725%0.25SS..Hα-helixtrans-63.2-47176.9-62.20000110.9Y17 A37 L38 F39 R44 A45Y17-S41 VanDerWaalsContact CE1-OG 3.28Å; Y17-S41 WeakPolarHBondContact CE1-OG 3.47Å; Y17-S41 PolarHBondContact OH-N 3.45Å; Y17-S41 PolarHBondContact OH-OG 3.17Å; Y17-S41 VanDerWaalsContact OH-OG 3.06Å; A37-S41 VanDerWaalsContact O-CB 3.32Å; A37-S41 WeakPolarHBondContact O-CB 3.29Å; A37-S41 PolarHBondContact O-N 3.33Å; A37-S41 PolarHBondContact O-OG 2.99Å; L38-S41 WeakPolarHBondContact O-CB 3.16Å; L38-S41 PolarHBondContact O-N 3.49Å; L38-S41 VanDerWaalsContact O-N 3.16Å; F39-S41 VanDerWaalsContact C-N 3.3Å; F39-S41 PolarHBondContact O-N 2.93Å; S41-R44 PolarHBondContact O-N 3.19Å; S41-A45 VanDerWaalsContact O-CB 3.31Å; S41-A45 WeakPolarHBondContact O-CB 3.37Å; S41-A45 PolarHBondContact O-N 3.08Å
42F83.3Confident87Confident94 Ų9450.9 Ų50.941%0.41228%0.277SS..Hα-helixtrans-64.6-43.8178.2-73.9-60.1000112.8L38 F39 A45 S46 L61 V64L38-F42 HydrophobicContact CB-CE2 4.32Å; L38-F42 WeakPolarHBondContact O-CD2 3.28Å; L38-F42 PolarHBondContact O-N 3.36Å; F39-F42 PolarHBondContact O-N 2.63Å; F42-A45 PolarHBondContact O-N 2.87Å; F42-S46 WeakPolarHBondContact O-CB 3.43Å; F42-S46 PolarHBondContact O-N 3.49Å; F42-S46 PolarHBondContact O-OG 2.73Å; F42-L61 HydrophobicContact CB-CD2 4.22Å; F42-V64 HydrophobicContact CD1-CG1 3.96Å; F42-V64 HydrophobicContact CE1-CG1 3.6Å; F42-V64 HydrophobicContact CZ-CG1 4.1Å
43M83.3Confident86.5Confident9 Ų954 Ų544%0.04431%0.31CS..Hα-helixtrans-61.6-48.4177.3-71-62.6-71.900111.1F39 A45 S46 D47 L61 Y244F39-M43 HydrophobicContact CD1-CG 3.94Å; F39-M43 HydrophobicContact CE1-CG 3.66Å; F39-M43 HydrophobicContact CE1-SD 4.18Å; F39-M43 HydrophobicContact CG-CG 4.48Å; F39-M43 HydrophobicContact CZ-CG 3.98Å; F39-M43 HydrophobicContact CZ-SD 3.96Å; F39-M43 WeakPolarHBondContact O-CB 3.32Å; F39-M43 VanDerWaalsContact O-CG 3.29Å; F39-M43 WeakPolarHBondContact O-CG 3.45Å; F39-M43 PolarHBondContact O-N 3.06Å; M43-A45 PolarHBondContact O-N 3.4Å; M43-S46 PolarHBondContact O-N 3.01Å; M43-D47 PolarHBondContact O-N 3.03Å; M43-L61 HydrophobicContact CE-CD1 4.34Å; M43-L61 HydrophobicContact SD-CD1 3.49Å; M43-L61 WeakPolarHBondContact SD-CD1 3.39Å; M43-L61 HydrophobicContact SD-CD2 3.85Å; M43-L61 HydrophobicContact SD-CG 4.34Å; M43-Y244 HydrophobicContact CE-CD1 4.23Å; M43-Y244 HydrophobicContact CE-CE1 4Å; M43-Y244 HydrophobicContact CE-CE2 4.43Å; M43-Y244 HydrophobicContact CG-CE2 4.4Å
44R86.6Confident85.7Confident141 Ų14157.8 Ų57.853%0.53233%0.334SS..Hα-helixtrans-64.8-41179.2-72174.9-176.7-163.30.6112.7R40 S41 S46 D47 A48R40-R44 VanDerWaalsContact O-CB 3.32Å; R40-R44 WeakPolarHBondContact O-CB 3.26Å; R40-R44 WeakPolarHBondContact O-CG 3.29Å; R40-R44 PolarHBondContact O-N 3.09Å; S41-R44 PolarHBondContact O-N 3.19Å; R44-S46 VanDerWaalsContact C-N 3.26Å; R44-S46 PolarHBondContact O-N 3.12Å; R44-D47 PolarHBondContact O-N 3.01Å; R44-A48 WeakPolarHBondContact O-CB 3.4Å; R44-A48 PolarHBondContact O-N 2.78Å
45A85Confident85Confident57 Ų5756.1 Ų56.147%0.47133%0.328SS..Hα-helixtrans-61.7-38.7174.900000111.3S41 F42 M43 A48 A49S41-A45 VanDerWaalsContact O-CB 3.31Å; S41-A45 WeakPolarHBondContact O-CB 3.37Å; S41-A45 PolarHBondContact O-N 3.08Å; F42-A45 PolarHBondContact O-N 2.87Å; M43-A45 PolarHBondContact O-N 3.4Å; A45-A48 PolarHBondContact O-N 2.95Å; A45-A49 WeakPolarHBondContact O-CB 3.43Å; A45-A49 PolarHBondContact O-N 3.12Å
46S83.9Confident84.5Confident3 Ų358 Ų582%0.02134%0.336CS..Hα-helixtrans-72.7-39.2178.8-56.30000113F42 M43 R44 A48 H50 L61F42-S46 WeakPolarHBondContact O-CB 3.43Å; F42-S46 PolarHBondContact O-N 3.49Å; F42-S46 PolarHBondContact O-OG 2.73Å; M43-S46 PolarHBondContact O-N 3.01Å; R44-S46 VanDerWaalsContact C-N 3.26Å; R44-S46 PolarHBondContact O-N 3.12Å; S46-A48 VanDerWaalsContact C-N 3.34Å; S46-H50 VanDerWaalsContact O-CB 3.3Å; S46-H50 WeakPolarHBondContact O-CB 3.37Å; S46-H50 PolarHBondContact O-N 3.36Å; S46-L61 VanDerWaalsContact OG-CD2 3.29Å; S46-L61 WeakPolarHBondContact OG-CD2 3.46Å; S46-L61 WeakPolarHBondContact OG-CG 3.4Å
47D83.6Confident83.9Confident37 Ų3759.6 Ų59.620%0.19834%0.342CS..Hα-helixtrans-60.2-43.9170.9-76.4-32.3000111.1M43 R44 H50 S51 R57 R247M43-D47 PolarHBondContact O-N 3.03Å; R44-D47 PolarHBondContact O-N 3.01Å; D47-H50 PolarHBondContact O-N 3.34Å; D47-S51 WeakPolarHBondContact O-CB 3.23Å; D47-S51 PolarHBondContact O-N 2.8Å; D47-S51 PolarHBondContact O-OG 3.35Å; D47-R57 WeakPolarHBondContact OD1-CD 3.46Å; D47-R57 IonicContact OD1-CZ 2.65Å; D47-R57 IonicContact OD1-NE 2.66Å; D47-R57 IonicContact OD1-NH1 3.65Å; D47-R57 PolarHBondContact OD1-NH1 2.92Å; D47-R247 IonicContact OD2-NH1 3.3Å
48A84.9Confident83.3Confident49 Ų4959.5 Ų59.541%0.40534%0.341SS..Hα-helixtrans-65-48177.900000111.9R44 A45 S46 H50 S51 L52R44-A48 WeakPolarHBondContact O-CB 3.4Å; R44-A48 PolarHBondContact O-N 2.78Å; A45-A48 PolarHBondContact O-N 2.95Å; S46-A48 VanDerWaalsContact C-N 3.34Å; A48-H50 VanDerWaalsContact C-N 3.27Å; A48-H50 PolarHBondContact O-N 3.39Å; A48-S51 PolarHBondContact O-N 2.98Å; A48-L52 WeakPolarHBondContact O-CB 3.16Å; A48-L52 VanDerWaalsContact O-CG 3.29Å; A48-L52 WeakPolarHBondContact O-CG 3.46Å; A48-L52 PolarHBondContact O-N 3.16Å
49A82.5Confident82.9Confident17 Ų1761.3 Ų61.314%0.1434%0.342CS..Hα-helixtrans-60.6-37.5177.500000112.3A45 G53 V54 L60A45-A49 WeakPolarHBondContact O-CB 3.43Å; A45-A49 PolarHBondContact O-N 3.12Å; A49-G53 PolarHBondContact O-N 3.23Å; A49-V54 HydrophobicContact CB-CB 4.46Å; A49-V54 WeakPolarHBondContact O-CB 3.33Å; A49-V54 PolarHBondContact O-N 3.47Å; A49-L60 HydrophobicContact CB-CD2 3.79Å
50H83.1Confident82.6Confident80 Ų8061.3 Ų61.337%0.3734%0.344SS..Hα-helixtrans-67-46.3174.9-179.161.6000112.5S46 D47 A48 L52 G53 C55 R57S46-H50 VanDerWaalsContact O-CB 3.3Å; S46-H50 WeakPolarHBondContact O-CB 3.37Å; S46-H50 PolarHBondContact O-N 3.36Å; D47-H50 PolarHBondContact O-N 3.34Å; A48-H50 VanDerWaalsContact C-N 3.27Å; A48-H50 PolarHBondContact O-N 3.39Å; H50-L52 PolarHBondContact O-N 3.03Å; H50-G53 PolarHBondContact O-N 2.89Å; H50-C55 WeakPolarHBondContact CA-O 3.42Å; H50-R57 HydrophobicContact CB-CB 3.95Å
51S82.5Confident82.1Confident100 Ų10060.3 Ų60.370%0.69934%0.341SS*.Hα-helixtrans-63.2-28.9179-55.60000112.4D47 A48 G53D47-S51 WeakPolarHBondContact O-CB 3.23Å; D47-S51 PolarHBondContact O-N 2.8Å; D47-S51 PolarHBondContact O-OG 3.35Å; A48-S51 PolarHBondContact O-N 2.98Å; S51-G53 VanDerWaalsContact C-N 3.29Å
52L85.4Confident81.8Confident139 Ų13959 Ų5973%0.72833%0.33SS*.THydrogen-bonded Turntrans-83.81.2174.5-66.3172.6000113.6A48 H50 V54A48-L52 WeakPolarHBondContact O-CB 3.16Å; A48-L52 VanDerWaalsContact O-CG 3.29Å; A48-L52 WeakPolarHBondContact O-CG 3.46Å; A48-L52 PolarHBondContact O-N 3.16Å; H50-L52 PolarHBondContact O-N 3.03Å; L52-V54 HydrophobicContact CB-CG2 3.98Å; L52-V54 PolarHBondContact O-N 3.47Å
53G81.3Confident81.7Confident68 Ų6862.9 Ų62.970%0.70134%0.342SS*.THydrogen-bonded Turntrans72.211.7-179.900000114.9A49 H50 S51A49-G53 PolarHBondContact O-N 3.23Å; H50-G53 PolarHBondContact O-N 2.89Å; S51-G53 VanDerWaalsContact C-N 3.29Å
54V78.1Confident81.6Confident108 Ų10864.4 Ų64.466%0.65535%0.352SS*.SBendtrans-72.6-45.1-175.6179.40000111.3A49 L52A49-V54 HydrophobicContact CB-CB 4.46Å; A49-V54 WeakPolarHBondContact O-CB 3.33Å; A49-V54 PolarHBondContact O-N 3.47Å; L52-V54 HydrophobicContact CB-CG2 3.98Å; L52-V54 PolarHBondContact O-N 3.47Å
55C76.7Confident81.2Confident32 Ų3259.8 Ų59.822%0.21634%0.339CS..SBendtrans-160.2159.6178.760.40000111.7H50 R57H50-C55 WeakPolarHBondContact CA-O 3.42Å; C55-R57 PolarHBondContact O-N 2.91Å
56H78.3Confident81.1Confident62 Ų6259.3 Ų59.329%0.28733%0.332SS..  trans-66.5133.2172.6-173.1-92.4000110.5V58 R59 L60H56-V58 VanDerWaalsContact C-N 3.33Å; H56-V58 PolarHBondContact ND1-N 3.09Å; H56-V58 PolarHBondContact O-N 3.49Å; H56-R59 HydrophobicContact CB-CB 4.34Å; H56-R59 HydrophobicContact CB-CG 4.02Å; H56-R59 WeakPolarHBondContact O-CB 3.43Å; H56-R59 PolarHBondContact O-N 2.81Å; H56-L60 PolarHBondContact O-N 3.26Å
57R78.4Confident80.9Confident33 Ų3369.5 Ų69.513%0.12537%0.37CS..Hα-helixtrans-46.1-52.5-175.9171.8170.365-161.6-7.2113.6D47 H50 C55 R59 L60 L61D47-R57 WeakPolarHBondContact OD1-CD 3.46Å; D47-R57 IonicContact OD1-CZ 2.65Å; D47-R57 IonicContact OD1-NE 2.66Å; D47-R57 IonicContact OD1-NH1 3.65Å; D47-R57 PolarHBondContact OD1-NH1 2.92Å; H50-R57 HydrophobicContact CB-CB 3.95Å; C55-R57 PolarHBondContact O-N 2.91Å; R57-R59 VanDerWaalsContact C-N 3.34Å; R57-R59 PolarHBondContact O-N 3.26Å; R57-L60 PolarHBondContact O-N 3.13Å; R57-L61 HydrophobicContact CG-CD1 4.05Å; R57-L61 WeakPolarHBondContact O-CG 3.31Å; R57-L61 PolarHBondContact O-N 3.36Å
58V79Confident80.8Confident3 Ų371 Ų712%0.01838%0.381CS..Hα-helixtrans-67.5-34-176.6-179.60000112H56 L60 L61 N62 A115 L116 A147H56-V58 VanDerWaalsContact C-N 3.33Å; H56-V58 PolarHBondContact ND1-N 3.09Å; H56-V58 PolarHBondContact O-N 3.49Å; V58-L60 VanDerWaalsContact C-N 3.33Å; V58-L60 PolarHBondContact O-N 3.49Å; V58-L61 PolarHBondContact O-N 3.19Å; V58-N62 WeakPolarHBondContact O-CB 3.41Å; V58-N62 PolarHBondContact O-N 3.49Å; V58-A115 HydrophobicContact CG1-CB 3.89Å; V58-A115 WeakPolarHBondContact CG1-O 3.44Å; V58-L116 HydrophobicContact CG1-CD2 4.23Å; V58-A147 VanDerWaalsContact CG1-O 3.28Å; V58-A147 WeakPolarHBondContact CG1-O 3.47Å
59R80.7Confident80.9Confident121 Ų12170.1 Ų70.146%0.45737%0.368SS..Hα-helixtrans-64.4-40.5178.3-70-178.2179.3161.11.8111.4H56 R57 R63 E149H56-R59 HydrophobicContact CB-CB 4.34Å; H56-R59 HydrophobicContact CB-CG 4.02Å; H56-R59 WeakPolarHBondContact O-CB 3.43Å; H56-R59 PolarHBondContact O-N 2.81Å; R57-R59 VanDerWaalsContact C-N 3.34Å; R57-R59 PolarHBondContact O-N 3.26Å; R59-R63 WeakPolarHBondContact O-CB 3.49Å; R59-R63 VanDerWaalsContact O-CG 3.3Å; R59-R63 WeakPolarHBondContact O-CG 3.27Å; R59-R63 PolarHBondContact O-N 3.41Å; R59-E149 IonicContact CZ-OE1 3.34Å; R59-E149 IonicContact NE-OE1 2.71Å; R59-E149 PolarHBondContact NE-OE1 2.97Å; R59-E149 IonicContact NH2-OE1 3.08Å; R59-E149 PolarHBondContact NH2-OE1 3.14Å; R59-E149 VanDerWaalsContact NH2-OE1 3.08Å
60L80.1Confident81.3Confident50 Ų5071.8 Ų71.826%0.26238%0.377SS..Hα-helixtrans-67.7-44.8177.4-176.457000111.1A49 H56 R57 V58 N62 R63 V64A49-L60 HydrophobicContact CB-CD2 3.79Å; H56-L60 PolarHBondContact O-N 3.26Å; R57-L60 PolarHBondContact O-N 3.13Å; V58-L60 VanDerWaalsContact C-N 3.33Å; V58-L60 PolarHBondContact O-N 3.49Å; L60-N62 PolarHBondContact O-N 3.1Å; L60-R63 PolarHBondContact O-N 3.11Å; L60-V64 HydrophobicContact CD1-CG2 4.48Å; L60-V64 WeakPolarHBondContact O-CG2 3.37Å; L60-V64 PolarHBondContact O-N 2.86Å
61L79Confident81.8Confident13 Ų1370.1 Ų70.17%0.06837%0.37CS..Hα-helixtrans-57-49.8175.3-70.4168.4000111.4F42 M43 S46 R57 V58 R63 V64 V65 L116F42-L61 HydrophobicContact CB-CD2 4.22Å; M43-L61 HydrophobicContact CE-CD1 4.34Å; M43-L61 HydrophobicContact SD-CD1 3.49Å; M43-L61 WeakPolarHBondContact SD-CD1 3.39Å; M43-L61 HydrophobicContact SD-CD2 3.85Å; M43-L61 HydrophobicContact SD-CG 4.34Å; S46-L61 VanDerWaalsContact OG-CD2 3.29Å; S46-L61 WeakPolarHBondContact OG-CD2 3.46Å; S46-L61 WeakPolarHBondContact OG-CG 3.4Å; R57-L61 HydrophobicContact CG-CD1 4.05Å; R57-L61 WeakPolarHBondContact O-CG 3.31Å; R57-L61 PolarHBondContact O-N 3.36Å; V58-L61 PolarHBondContact O-N 3.19Å; L61-R63 PolarHBondContact O-N 2.87Å; L61-V64 PolarHBondContact O-N 2.88Å; L61-V65 WeakPolarHBondContact O-CG2 3.32Å; L61-V65 PolarHBondContact O-N 2.91Å; L61-L116 HydrophobicContact CB-CD2 3.62Å; L61-L116 HydrophobicContact CD1-CD2 4.36Å
62N81.7Confident82.3Confident23 Ų2372.2 Ų72.212%0.12337%0.369CS..Hα-helixtrans-61.4-43.4177-86.8-21.2000113V58 L60 V64 V65 S66 A115 L116V58-N62 WeakPolarHBondContact O-CB 3.41Å; V58-N62 PolarHBondContact O-N 3.49Å; L60-N62 PolarHBondContact O-N 3.1Å; N62-V64 VanDerWaalsContact C-N 3.28Å; N62-V64 PolarHBondContact O-N 3.23Å; N62-V65 PolarHBondContact O-N 2.88Å; N62-S66 VanDerWaalsContact O-CB 3.25Å; N62-S66 WeakPolarHBondContact O-CB 3.29Å; N62-S66 PolarHBondContact O-N 2.96Å; N62-S66 PolarHBondContact O-OG 2.82Å; N62-A115 PolarHBondContact ND2-O 3.38Å; N62-A115 PolarHBondContact OD1-O 2.79Å; N62-L116 VanDerWaalsContact OD1-CA 3.25Å; N62-L116 WeakPolarHBondContact OD1-CA 3.43Å; N62-L116 WeakPolarHBondContact OD1-CD2 3.06Å
63R82.4Confident82.8Confident175 Ų17567.3 Ų67.366%0.6635%0.348SS*.Hα-helixtrans-59-41.6177.2-79178.9-173.4176.82.2112.3R59 L60 L61 W67R59-R63 WeakPolarHBondContact O-CB 3.49Å; R59-R63 VanDerWaalsContact O-CG 3.3Å; R59-R63 WeakPolarHBondContact O-CG 3.27Å; R59-R63 PolarHBondContact O-N 3.41Å; L60-R63 PolarHBondContact O-N 3.11Å; L61-R63 PolarHBondContact O-N 2.87Å; R63-W67 VanDerWaalsContact O-CB 3.26Å; R63-W67 WeakPolarHBondContact O-CB 3.36Å; R63-W67 PolarHBondContact O-N 2.94Å
64V79.9Confident83.4Confident42 Ų4272.4 Ų72.426%0.25535%0.346SS..Hα-helixtrans-67.8-49.2178173.40000110.8F42 L60 L61 N62 S66 W67 V68F42-V64 HydrophobicContact CD1-CG1 3.96Å; F42-V64 HydrophobicContact CE1-CG1 3.6Å; F42-V64 HydrophobicContact CZ-CG1 4.1Å; L60-V64 HydrophobicContact CD1-CG2 4.48Å; L60-V64 WeakPolarHBondContact O-CG2 3.37Å; L60-V64 PolarHBondContact O-N 2.86Å; L61-V64 PolarHBondContact O-N 2.88Å; N62-V64 VanDerWaalsContact C-N 3.28Å; N62-V64 PolarHBondContact O-N 3.23Å; V64-S66 VanDerWaalsContact C-N 3.34Å; V64-S66 PolarHBondContact O-N 3.11Å; V64-W67 PolarHBondContact O-N 2.95Å; V64-V68 WeakPolarHBondContact O-CG2 3.31Å; V64-V68 PolarHBondContact O-N 3.2Å; V64-V68 VanDerWaalsContact O-N 3.15Å
65V79.7Confident84.3Confident43 Ų4370.9 Ų70.926%0.26134%0.34SS..Hα-helixtrans-57.8-48.6177.8171.20000110.3L61 N62 W67 V68 E69 M121L61-V65 WeakPolarHBondContact O-CG2 3.32Å; L61-V65 PolarHBondContact O-N 2.91Å; N62-V65 PolarHBondContact O-N 2.88Å; V65-W67 VanDerWaalsContact C-N 3.34Å; V65-W67 PolarHBondContact O-N 2.68Å; V65-V68 PolarHBondContact O-N 3.32Å; V65-E69 WeakPolarHBondContact O-CB 3.27Å; V65-E69 PolarHBondContact O-N 2.79Å; V65-M121 HydrophobicContact CG1-CE 4.06Å; V65-M121 HydrophobicContact CG1-SD 4.1Å
66S81.9Confident85.1Confident47 Ų4771 Ų7133%0.32934%0.342SS..Hα-helixtrans-61-42178.2-61.20000112.2N62 V64 V68 V70N62-S66 VanDerWaalsContact O-CB 3.25Å; N62-S66 WeakPolarHBondContact O-CB 3.29Å; N62-S66 PolarHBondContact O-N 2.96Å; N62-S66 PolarHBondContact O-OG 2.82Å; V64-S66 VanDerWaalsContact C-N 3.34Å; V64-S66 PolarHBondContact O-N 3.11Å; S66-V68 VanDerWaalsContact C-N 3.28Å; S66-V68 PolarHBondContact O-N 3.14Å; S66-V70 VanDerWaalsContact O-CB 3.25Å; S66-V70 WeakPolarHBondContact O-CB 3.46Å; S66-V70 PolarHBondContact O-N 2.83Å
67W80.6Confident85.8Confident217 Ų21774 Ų7482%0.82237%0.366SS*.Hα-helixtrans-62.8-32.6178.5178.968.5000113.5R63 V64 V65R63-W67 VanDerWaalsContact O-CB 3.26Å; R63-W67 WeakPolarHBondContact O-CB 3.36Å; R63-W67 PolarHBondContact O-N 2.94Å; V64-W67 PolarHBondContact O-N 2.95Å; V65-W67 VanDerWaalsContact C-N 3.34Å; V65-W67 PolarHBondContact O-N 2.68Å
68V80.8Confident86.6Confident68 Ų6875.8 Ų75.841%0.41238%0.382SS..Hα-helixtrans-89.2-40.2-177.5177.40000112.7V64 V65 S66 R122V64-V68 WeakPolarHBondContact O-CG2 3.31Å; V64-V68 PolarHBondContact O-N 3.2Å; V64-V68 VanDerWaalsContact O-N 3.15Å; V65-V68 PolarHBondContact O-N 3.32Å; S66-V68 VanDerWaalsContact C-N 3.28Å; S66-V68 PolarHBondContact O-N 3.14Å; V68-R122 PolarHBondContact O-NH1 3.03Å; V68-R122 PolarHBondContact O-NH2 3.14Å
69E87.3Confident87.4Confident31 Ų3175.7 Ų75.715%0.14538%0.381CS..Hα-helixtrans-109.6-30-165.8-73.7-70.1108.700113.7V65 I71 M121 R122 S123V65-E69 WeakPolarHBondContact O-CB 3.27Å; V65-E69 PolarHBondContact O-N 2.79Å; E69-I71 PolarHBondContact O-N 3.36Å; E69-M121 HydrophobicContact CB-CB 3.97Å; E69-M121 HydrophobicContact CB-CE 4.08Å; E69-M121 HydrophobicContact CB-CG 3.87Å; E69-M121 HydrophobicContact CG-CE 4.11Å; E69-M121 CarbonylContact O-C 3.58Å; E69-M121 VanDerWaalsContact O-CA 3.29Å; E69-M121 WeakPolarHBondContact O-CA 3.48Å; E69-R122 PolarHBondContact O-N 3.47Å; E69-R122 IonicContact OE1-CZ 3.02Å; E69-R122 IonicContact OE1-NH1 3.76Å; E69-R122 PolarHBondContact OE1-NH1 2.94Å; E69-S123 PolarHBondContact OE2-N 2.62Å; E69-S123 PolarHBondContact OE2-OG 3.32Å
70V89.8Confident88.2Confident53 Ų5374.7 Ų74.732%0.32138%0.38SS..BIsolated β-bridgetrans-70.3125.2-177.9169.40000109.9S66 K120S66-V70 VanDerWaalsContact O-CB 3.25Å; S66-V70 WeakPolarHBondContact O-CB 3.46Å; S66-V70 PolarHBondContact O-N 2.83Å; V70-K120 WeakPolarHBondContact CA-O 3.5Å; V70-K120 HydrophobicContact CG1-CB 3.86Å; V70-K120 HydrophobicContact CG2-CB 4.43Å
71I93.6Very high89.1Confident45 Ų4572.5 Ų72.523%0.23137%0.369CS..  trans-121.4153.1178.561.5172.9000111E69 R92 K120 R122 D125E69-I71 PolarHBondContact O-N 3.36Å; I71-R92 PolarHBondContact O-NH1 3.49Å; I71-R92 PolarHBondContact O-NH2 3.46Å; I71-K120 WeakPolarHBondContact CG1-O 3.47Å; I71-K120 PolarHBondContact N-O 3.02Å; I71-R122 HydrophobicContact CD1-CB 4.33Å; I71-R122 HydrophobicContact CD1-CG 4.46Å; I71-R122 HydrophobicContact CG2-CB 4.33Å; I71-D125 HydrophobicContact CD1-CB 3.97Å; I71-D125 HydrophobicContact CG1-CB 4.47Å
72E94.4Very high90Very high143 Ų14374.2 Ų74.267%0.66838%0.38SS*.  trans-65.9151170.5-65.8178.8155.500111.1R74E72-R74 PolarHBondContact O-N 3.37Å
73A94.6Very high90.8Very high36 Ų3676.7 Ų76.730%0.29839%0.393SS..  trans-63.3119.2171.700000109.6V81A73-V81 HydrophobicContact CB-CG1 4.04Å
74R95Very high91.5Very high175 Ų17570.8 Ų70.866%0.6638%0.378SS*.  trans-124.7125.3176.2-66.8-176.1180-169.4-0.6109.6E72 R129E72-R74 PolarHBondContact O-N 3.37Å; R74-R129 PolarHBondContact O-NH1 3.24Å; R74-R129 PolarHBondContact O-NH2 2.94Å
75S96.2Very high92.4Very high76 Ų7672.7 Ų72.753%0.53139%0.39SS..  trans-82.1152.5174.5-63.90000110.9V79 V81S75-V79 WeakPolarHBondContact CA-O 3.3Å; S75-V81 PolarHBondContact OG-N 2.91Å; S75-V81 PolarHBondContact OG-O 3.01Å
76S94.3Very high93.2Very high36 Ų3670.8 Ų70.825%0.25238%0.379SS..  trans-116.3172.2169.667.10000109.6T78 V79S76-T78 PolarHBondContact O-N 2.97Å; S76-T78 PolarHBondContact OG-N 3.26Å; S76-T78 PolarHBondContact OG-OG1 2.97Å; S76-V79 PolarHBondContact N-O 3.24Å; S76-V79 PolarHBondContact OG-N 3.18Å; S76-V79 PolarHBondContact OG-O 3.25Å
77P93.2Very high94Very high123 Ų12370.9 Ų70.980%0.79939%0.386SS*.SBendtrans-59.1-23.4171.7-25.936.3000114.1N97P77-N97 PolarHBondContact O-ND2 3.41Å
78T93.8Very high94.8Very high72 Ų7263.4 Ų63.444%0.44238%0.377SS..SBendtrans-98.1-30-176.747.30000113.4S76 N97 E133S76-T78 PolarHBondContact O-N 2.97Å; S76-T78 PolarHBondContact OG-N 3.26Å; S76-T78 PolarHBondContact OG-OG1 2.97Å; T78-N97 PolarHBondContact O-N 3.38Å; T78-E133 WeakPolarHBondContact CB-OE1 3.32Å; T78-E133 PolarHBondContact OG1-OE1 2.7Å
79V97.1Very high95.6Very high0 Ų060.6 Ų60.60%036%0.36CS..EExtended strand (participates in β ladder)trans-137.8121.6-174.7-174.60000110.8S75 S76 V81 F94 Q95 A132 E133S75-V79 WeakPolarHBondContact CA-O 3.3Å; S76-V79 PolarHBondContact N-O 3.24Å; S76-V79 PolarHBondContact OG-N 3.18Å; S76-V79 PolarHBondContact OG-O 3.25Å; V79-V81 HydrophobicContact CG1-CG2 3.81Å; V79-F94 HydrophobicContact CG1-CB 3.99Å; V79-F94 HydrophobicContact CG1-CD1 4.44Å; V79-Q95 CarbonylContact C-O 3.54Å; V79-Q95 WeakPolarHBondContact CA-O 3.28Å; V79-A132 HydrophobicContact CG1-CB 4.14Å; V79-A132 HydrophobicContact CG2-CB 4.19Å; V79-E133 HydrophobicContact CG2-CG 3.34Å
80K97.5Very high96.2Very high100 Ų10062.1 Ų62.144%0.43537%0.373SS..EExtended strand (participates in β ladder)trans-78.6124.3166.3-175.6-178179.1-173.90109.6T82 Q95K80-T82 HydrophobicContact CG-CG2 4.27Å; K80-Q95 HydrophobicContact CB-CB 4.4Å; K80-Q95 PolarHBondContact N-O 3.42Å; K80-Q95 PolarHBondContact O-N 2.9Å
81V98.3Very high96.6Very high5 Ų559.8 Ų59.83%0.0336%0.358CS..EExtended strand (participates in β ladder)trans-119.8125.1178.4-175.50000110.4A73 S75 V79 R92 V93 F94A73-V81 HydrophobicContact CB-CG1 4.04Å; S75-V81 PolarHBondContact OG-N 2.91Å; S75-V81 PolarHBondContact OG-O 3.01Å; V79-V81 HydrophobicContact CG1-CG2 3.81Å; V81-R92 HydrophobicContact CG1-CG 3.8Å; V81-V93 VanDerWaalsContact CA-O 3.3Å; V81-V93 WeakPolarHBondContact CA-O 3.43Å; V81-F94 HydrophobicContact CB-CD1 4.36Å; V81-F94 HydrophobicContact CG1-CD1 3.99Å; V81-F94 HydrophobicContact CG1-CE1 3.79Å; V81-F94 HydrophobicContact CG1-CZ 4.26Å; V81-F94 HydrophobicContact CG2-CD1 3.44Å; V81-F94 VanDerWaalsContact CG2-CD1 3.44Å; V81-F94 HydrophobicContact CG2-CE1 3.88Å; V81-F94 HydrophobicContact CG2-CG 4.26Å
82T98Very high96.8Very high49 Ų4957.7 Ų57.730%0.30135%0.348SS..EExtended strand (participates in β ladder)trans-138.9144.9-177.254.50000111K80 V93K80-T82 HydrophobicContact CG-CG2 4.27Å; T82-V93 PolarHBondContact N-O 3.09Å; T82-V93 PolarHBondContact O-N 2.94Å
83D98.3Very high97Very high75 Ų7551 Ų5140%0.40132%0.317SS..EExtended strand (participates in β ladder)trans-85135.2165.8-69.7-8.5000108.8R92 K120D83-R92 IonicContact OD1-CZ 3.9Å; D83-R92 IonicContact OD1-NE 2.86Å; D83-R92 PolarHBondContact OD1-NE 3.35Å; D83-R92 IonicContact OD1-NH2 3.76Å; D83-R92 PolarHBondContact OD1-NH2 3.07Å; D83-R92 VanDerWaalsContact OD1-NH2 3.11Å; D83-R92 IonicContact OD2-NH2 3.84Å; D83-K120 WeakPolarHBondContact OD2-CE 3.44Å; D83-K120 IonicContact OD2-NZ 3.93Å; D83-K120 PolarHBondContact OD2-NZ 2.98Å
84S97.2Very high97.2Very high50 Ų5049.3 Ų49.335%0.3530%0.302SS..EExtended strand (participates in β ladder)trans-146.9-165.4-177.6-166.20000110T91S84-T91 PolarHBondContact N-O 3.07Å; S84-T91 PolarHBondContact O-N 3.19Å; S84-T91 VanDerWaalsContact O-O 3.14Å
85T98Very high97.3Very high82 Ų8242.8 Ų42.850%0.50328%0.28SS..EExtended strand (participates in β ladder)trans-131.3149.2170.260.20000111.7V89T85-V89 CarbonylContact C-O 3.5Å; T85-V89 WeakPolarHBondContact CA-O 3.4Å
86L98.3Very high97.3Very high4 Ų439.4 Ų39.42%0.02126%0.256CS..EExtended strand (participates in β ladder)trans-118.6110.6169.4-77.8178.7000108.4G88 V89 T91 L107 M140 V142 A162 A165 F166 L171L86-G88 PolarHBondContact O-N 3.32Å; L86-G88 VanDerWaalsContact O-N 3.14Å; L86-V89 PolarHBondContact N-O 2.64Å; L86-V89 WeakPolarHBondContact O-CB 3.26Å; L86-V89 PolarHBondContact O-N 3.45Å; L86-T91 HydrophobicContact CD1-CG2 3.85Å; L86-T91 HydrophobicContact CG-CG2 4.09Å; L86-L107 HydrophobicContact CD1-CD1 3.47Å; L86-L107 VanDerWaalsContact CD1-CD1 3.47Å; L86-M140 HydrophobicContact CD1-CB 3.95Å; L86-M140 HydrophobicContact CD1-SD 3.79Å; L86-M140 HydrophobicContact CD2-SD 3.71Å; L86-M140 HydrophobicContact CG-SD 4.05Å; L86-V142 HydrophobicContact CD1-CG2 4.34Å; L86-A162 HydrophobicContact CB-CB 3.95Å; L86-A162 HydrophobicContact CD1-CB 4.45Å; L86-A165 HydrophobicContact CB-CB 4.28Å; L86-A165 HydrophobicContact CD2-CB 4.31Å; L86-F166 HydrophobicContact CD1-CB 4.33Å; L86-L171 HydrophobicContact CD2-CD1 3.22Å; L86-L171 HydrophobicContact CD2-CG 4.47Å
87G96.9Very high96.9Very high48 Ų4841.8 Ų41.850%0.49527%0.266SS..THydrogen-bonded Turntrans57.629.5-176.600000113.3V89 V161 A165G87-V89 VanDerWaalsContact C-N 3.34Å; G87-V161 WeakPolarHBondContact O-CG1 3.43Å; G87-A165 VanDerWaalsContact N-CB 3.27Å
88G97.9Very high96.1Very high61 Ų6137.1 Ų37.163%0.62924%0.24SC*.THydrogen-bonded Turntrans87.6-8.7-175.200000115.2L86L86-G88 PolarHBondContact O-N 3.32Å; L86-G88 VanDerWaalsContact O-N 3.14Å
89V98.7Very high95Very high8 Ų841.8 Ų41.85%0.04826%0.262CS..EExtended strand (participates in β ladder)trans-83.8126.2176.9-173.50000109.7T85 L86 G87 T91 V142 D158 A162T85-V89 CarbonylContact C-O 3.5Å; T85-V89 WeakPolarHBondContact CA-O 3.4Å; L86-V89 PolarHBondContact N-O 2.64Å; L86-V89 WeakPolarHBondContact O-CB 3.26Å; L86-V89 PolarHBondContact O-N 3.45Å; G87-V89 VanDerWaalsContact C-N 3.34Å; V89-T91 PolarHBondContact O-N 2.77Å; V89-T91 PolarHBondContact O-OG1 2.82Å; V89-V142 HydrophobicContact CG1-CG1 3.62Å; V89-D158 HydrophobicContact CG1-CB 4.18Å; V89-D158 HydrophobicContact CG2-CB 4.02Å; V89-A162 HydrophobicContact CB-CB 4.28Å; V89-A162 HydrophobicContact CG2-CB 4.36Å
90P98.7Very high93.9Very high63 Ų6344.3 Ų44.341%0.40928%0.28SS..EExtended strand (participates in β ladder)trans-58139.9178.8-17.929.2000111.4E143P90-E143 HydrophobicContact CB-CB 4.07Å; P90-E143 WeakPolarHBondContact O-CA 3.33Å; P90-E143 VanDerWaalsContact O-CB 3.3Å; P90-E143 WeakPolarHBondContact O-CB 3.49Å; P90-E143 PolarHBondContact O-N 3.13Å
91T98.6Very high92.9Very high4 Ų450.5 Ų50.53%0.02530%0.301CS..EExtended strand (participates in β ladder)trans-148140.1-172.2-65.80000109.7S84 L86 V89 V93 M140 S141S84-T91 PolarHBondContact N-O 3.07Å; S84-T91 PolarHBondContact O-N 3.19Å; S84-T91 VanDerWaalsContact O-O 3.14Å; L86-T91 HydrophobicContact CD1-CG2 3.85Å; L86-T91 HydrophobicContact CG-CG2 4.09Å; V89-T91 PolarHBondContact O-N 2.77Å; V89-T91 PolarHBondContact O-OG1 2.82Å; T91-V93 HydrophobicContact CG2-CG2 4.25Å; T91-M140 HydrophobicContact CG2-CB 3.79Å; T91-M140 HydrophobicContact CG2-CG 4.47Å; T91-S141 CarbonylContact C-O 3.6Å; T91-S141 WeakPolarHBondContact CA-O 3.45Å; T91-S141 WeakPolarHBondContact CG2-O 3.47Å
92R98.7Very high92.4Very high2 Ų254.3 Ų54.31%0.00832%0.32CS..EExtended strand (participates in β ladder)trans-97.3123.4167.1-177164.2-74.8175.22.7110.1I71 V81 D83 F94 D125 S141I71-R92 PolarHBondContact O-NH1 3.49Å; I71-R92 PolarHBondContact O-NH2 3.46Å; V81-R92 HydrophobicContact CG1-CG 3.8Å; D83-R92 IonicContact OD1-CZ 3.9Å; D83-R92 IonicContact OD1-NE 2.86Å; D83-R92 PolarHBondContact OD1-NE 3.35Å; D83-R92 IonicContact OD1-NH2 3.76Å; D83-R92 PolarHBondContact OD1-NH2 3.07Å; D83-R92 VanDerWaalsContact OD1-NH2 3.11Å; D83-R92 IonicContact OD2-NH2 3.84Å; R92-F94 HydrophobicContact CB-CE2 4.08Å; R92-F94 VanDerWaalsContact CD-CZ 3.47Å; R92-F94 HydrophobicContact CG-CD2 4.27Å; R92-F94 HydrophobicContact CG-CE1 4.46Å; R92-F94 HydrophobicContact CG-CE2 3.53Å; R92-F94 HydrophobicContact CG-CZ 3.63Å; R92-D125 IonicContact NH1-OD2 3.22Å; R92-S141 PolarHBondContact N-O 3.39Å; R92-S141 PolarHBondContact O-N 3.3Å
93V98.7Very high92.2Very high2 Ų253.1 Ų53.11%0.01231%0.31CS..EExtended strand (participates in β ladder)trans-102.5131.7-178.4-174.80000109.5V81 T82 T91 V138 I139 M140 Y175V81-V93 VanDerWaalsContact CA-O 3.3Å; V81-V93 WeakPolarHBondContact CA-O 3.43Å; T82-V93 PolarHBondContact N-O 3.09Å; T82-V93 PolarHBondContact O-N 2.94Å; T91-V93 HydrophobicContact CG2-CG2 4.25Å; V93-V138 HydrophobicContact CG1-CG1 4.17Å; V93-I139 CarbonylContact C-O 3.59Å; V93-I139 WeakPolarHBondContact CA-O 3.37Å; V93-M140 HydrophobicContact CG1-CE 4.14Å; V93-M140 HydrophobicContact CG1-CG 4.24Å; V93-M140 HydrophobicContact CG2-CE 4.46Å; V93-M140 HydrophobicContact CG2-CG 4.18Å; V93-M140 HydrophobicContact CG2-SD 4.35Å; V93-Y175 HydrophobicContact CG1-CD1 4.47Å; V93-Y175 HydrophobicContact CG1-CE1 3.77Å
94F98.6Very high92.2Very high0 Ų051.1 Ų51.10%030%0.297CS..EExtended strand (participates in β ladder)trans-116.8107.7173.3-56.2-101.3000107.6V79 V81 R92 D125 C128 R129 A132 V138 I139V79-F94 HydrophobicContact CG1-CB 3.99Å; V79-F94 HydrophobicContact CG1-CD1 4.44Å; V81-F94 HydrophobicContact CB-CD1 4.36Å; V81-F94 HydrophobicContact CG1-CD1 3.99Å; V81-F94 HydrophobicContact CG1-CE1 3.79Å; V81-F94 HydrophobicContact CG1-CZ 4.26Å; V81-F94 HydrophobicContact CG2-CD1 3.44Å; V81-F94 VanDerWaalsContact CG2-CD1 3.44Å; V81-F94 HydrophobicContact CG2-CE1 3.88Å; V81-F94 HydrophobicContact CG2-CG 4.26Å; R92-F94 HydrophobicContact CB-CE2 4.08Å; R92-F94 VanDerWaalsContact CD-CZ 3.47Å; R92-F94 HydrophobicContact CG-CD2 4.27Å; R92-F94 HydrophobicContact CG-CE1 4.46Å; R92-F94 HydrophobicContact CG-CE2 3.53Å; R92-F94 HydrophobicContact CG-CZ 3.63Å; F94-D125 HydrophobicContact CE1-CB 4.36Å; F94-D125 WeakPolarHBondContact CE1-OD2 3.43Å; F94-D125 HydrophobicContact CZ-CB 4.19Å; F94-C128 HydrophobicContact CD1-CB 4.06Å; F94-C128 HydrophobicContact CD2-CB 3.43Å; F94-C128 VanDerWaalsContact CD2-CB 3.43Å; F94-C128 HydrophobicContact CE1-CB 3.99Å; F94-C128 HydrophobicContact CE2-CB 3.33Å; F94-C128 HydrophobicContact CG-CB 3.81Å; F94-C128 HydrophobicContact CZ-CB 3.64Å; F94-R129 HydrophobicContact CD1-CG 3.66Å; F94-R129 HydrophobicContact CE1-CG 3.78Å; F94-A132 HydrophobicContact CB-CB 4.09Å; F94-V138 WeakPolarHBondContact O-CA 3.35Å; F94-I139 HydrophobicContact CB-CB 4.14Å; F94-I139 HydrophobicContact CD2-CB 4.33Å; F94-I139 PolarHBondContact N-O 3.07Å; F94-I139 PolarHBondContact O-N 3.47Å
95Q97.3Very high92.3Very high39 Ų3948.7 Ų48.718%0.18228%0.28CS..EExtended strand (participates in β ladder)trans-109.8120.7-179.9179.8176.77.900109V79 K80 V138V79-Q95 CarbonylContact C-O 3.54Å; V79-Q95 WeakPolarHBondContact CA-O 3.28Å; K80-Q95 HydrophobicContact CB-CB 4.4Å; K80-Q95 PolarHBondContact N-O 3.42Å; K80-Q95 PolarHBondContact O-N 2.9Å; Q95-V138 HydrophobicContact CG-CG2 4.4Å
96P95.1Very high92.3Very high5 Ų544.8 Ų44.83%0.03226%0.256CS..EExtended strand (participates in β ladder)trans-72.2146.9176.731.6-34.7000110G98 A132 D136 A137P96-G98 PolarHBondContact O-N 2.92Å; P96-A132 WeakPolarHBondContact CB-O 3.48Å; P96-D136 WeakPolarHBondContact CB-OD1 3.37Å; P96-D136 WeakPolarHBondContact CG-OD1 3.29Å; P96-A137 VanDerWaalsContact CD-O 3.27Å; P96-A137 WeakPolarHBondContact CD-O 3.41Å
97N86.7Confident92.3Very high85 Ų8544.6 Ų44.646%0.45526%0.255SS..  trans-85.918.9175.7-64.8-23.2000112.2P77 T78P77-N97 PolarHBondContact O-ND2 3.41Å; T78-N97 PolarHBondContact O-N 3.38Å
98G75.6Confident92.4Very high26 Ų2642.3 Ų42.327%0.26823%0.232SC..  trans-68.5155.7179.700000113.3P96 S100 R103P96-G98 PolarHBondContact O-N 2.92Å; G98-S100 VanDerWaalsContact C-N 3.27Å; G98-S100 PolarHBondContact O-N 3.25Å; G98-R103 PolarHBondContact O-NH2 3.3Å
99D71.1Confident92.5Very high169 Ų16939.4 Ų39.490%0.90420%0.202SC*.  trans-82.44.2-177.2-66.9-34000113.7R101D99-R101 PolarHBondContact O-N 2.89Å
100S74.7Confident92.5Very high53 Ų5339 Ų3937%0.37120%0.2SC..  trans-60.4131.7179.1-68.40000111.1G98 L102 D136G98-S100 VanDerWaalsContact C-N 3.27Å; G98-S100 PolarHBondContact O-N 3.25Å; S100-L102 VanDerWaalsContact C-N 3.33Å; S100-L102 PolarHBondContact O-N 2.86Å; S100-D136 WeakPolarHBondContact CB-OD2 3.27Å; S100-D136 PolarHBondContact OG-OD2 3.03Å
101R76.6Confident92.4Very high230 Ų23036 Ų3687%0.86818%0.18SC*.SBendtrans-65.4-35.7179-174178.8176.8-175.8-1.3112.5D99D99-R101 PolarHBondContact O-N 2.89Å
102L87.8Confident92.3Very high85 Ų8537 Ų3745%0.44519%0.19SC..SBendtrans-136.3136.5172.1-69175.6000109.3S100 D176 D178S100-L102 VanDerWaalsContact C-N 3.33Å; S100-L102 PolarHBondContact O-N 2.86Å; L102-D176 CarbonylContact C-O 3.56Å; L102-D176 VanDerWaalsContact CA-O 3.3Å; L102-D176 WeakPolarHBondContact CA-O 3.47Å; L102-D176 HydrophobicContact CD2-CB 4.43Å; L102-D178 HydrophobicContact CB-CB 4.11Å
103R93.8Very high92.2Very high25 Ų2537 Ų379%0.09419%0.192CC..EExtended strand (participates in β ladder)trans-108157.3-171.2-62.8-179.3-177.6878.4111.4G98 V138 D176 I177 D178G98-R103 PolarHBondContact O-NH2 3.3Å; R103-V138 HydrophobicContact CB-CG2 4.33Å; R103-D176 PolarHBondContact N-O 3.12Å; R103-D176 IonicContact NH1-OD2 3.36Å; R103-D176 PolarHBondContact NH1-OD2 2.79Å; R103-D176 VanDerWaalsContact NH1-OD2 3.14Å; R103-I177 WeakPolarHBondContact O-CA 3.35Å; R103-D178 PolarHBondContact O-N 3.19Å
104R97.6Very high92.2Very high32 Ų3237 Ų3712%0.12119%0.191CC..EExtended strand (participates in β ladder)trans-70.9155.5166.9-62.7169.4173.7103-11.8109.7L135 A137 V138 R181 D403 L406R104-L135 PolarHBondContact NH1-O 3.29Å; R104-A137 HydrophobicContact CB-CB 3.72Å; R104-A137 CarbonylContact O-C 3.58Å; R104-A137 VanDerWaalsContact O-CA 3.26Å; R104-A137 WeakPolarHBondContact O-CA 3.37Å; R104-V138 PolarHBondContact O-N 2.94Å; R104-R181 HydrophobicContact CB-CB 4.47Å; R104-R181 HydrophobicContact CG-CB 4.18Å; R104-D403 IonicContact CZ-OD1 3.55Å; R104-D403 IonicContact NH1-OD1 3.88Å; R104-D403 PolarHBondContact NH2-O 2.68Å; R104-D403 IonicContact NH2-OD1 3.72Å; R104-D403 PolarHBondContact NH2-OD1 3.32Å; R104-L406 HydrophobicContact CB-CB 4.4Å; R104-L406 HydrophobicContact CB-CD1 4.35Å; R104-L406 HydrophobicContact CG-CB 3.88Å; R104-L406 PolarHBondContact NE-OXT 3Å; R104-L406 PolarHBondContact NH2-OXT 2.93Å
105G98.6Very high92Very high0 Ų037 Ų370%019%0.191CC..EExtended strand (participates in β ladder)trans-123.5132.5174.700000111.9V138 R181 L182 C183G105-V138 WeakPolarHBondContact CA-O 3.3Å; G105-R181 PolarHBondContact N-O 3.38Å; G105-L182 CarbonylContact O-C 3.5Å; G105-L182 WeakPolarHBondContact O-CA 3.46Å; G105-C183 PolarHBondContact O-N 2.75Å
106V98.9Very high91.7Very high0 Ų036 Ų360%019%0.187CC..EExtended strand (participates in β ladder)trans-129.8120.7172.5-1740000110.5V138 I139 M140 C183 L402 L406V106-V138 PolarHBondContact N-O 2.97Å; V106-I139 HydrophobicContact CB-CD1 3.61Å; V106-I139 HydrophobicContact CG2-CD1 3.73Å; V106-I139 CarbonylContact O-C 3.57Å; V106-I139 WeakPolarHBondContact O-CA 3.28Å; V106-M140 PolarHBondContact O-N 3.46Å; V106-C183 WeakPolarHBondContact CA-O 3.46Å; V106-C183 HydrophobicContact CG1-CB 4.33Å; V106-C183 HydrophobicContact CG2-CB 4.25Å; V106-L402 HydrophobicContact CG2-CD1 4.44Å; V106-L406 HydrophobicContact CG2-CD1 3.99Å
107L98.9Very high91.6Very high0 Ų036.1 Ų36.10%019%0.19CC..EExtended strand (participates in β ladder)trans-91.4124.7168-17071.1000108.9L86 F109 M140 V142 S163 F166 C183 S185 F211L86-L107 HydrophobicContact CD1-CD1 3.47Å; L86-L107 VanDerWaalsContact CD1-CD1 3.47Å; L107-F109 HydrophobicContact CD2-CE1 4.39Å; L107-F109 HydrophobicContact CD2-CE2 4.18Å; L107-F109 HydrophobicContact CD2-CZ 3.66Å; L107-F109 HydrophobicContact CG-CZ 4.14Å; L107-M140 HydrophobicContact CD1-CB 3.97Å; L107-V142 HydrophobicContact CD1-CG2 3.46Å; L107-V142 VanDerWaalsContact CD1-CG2 3.46Å; L107-V142 HydrophobicContact CG-CG2 4.05Å; L107-S163 WeakPolarHBondContact CD2-OG 3.33Å; L107-F166 HydrophobicContact CB-CD1 4.04Å; L107-F166 HydrophobicContact CB-CD2 4.32Å; L107-F166 HydrophobicContact CB-CE1 4.18Å; L107-F166 HydrophobicContact CB-CE2 4.45Å; L107-F166 HydrophobicContact CB-CG 4.1Å; L107-F166 HydrophobicContact CB-CZ 4.38Å; L107-F166 HydrophobicContact CD1-CB 4.07Å; L107-F166 HydrophobicContact CD1-CD2 3.97Å; L107-F166 HydrophobicContact CD1-CG 4.02Å; L107-F166 HydrophobicContact CD2-CB 4.18Å; L107-F166 HydrophobicContact CD2-CG 4.37Å; L107-F166 HydrophobicContact CG-CG 4.42Å; L107-C183 PolarHBondContact N-O 3.03Å; L107-S185 PolarHBondContact O-N 3.16Å; L107-F211 HydrophobicContact CB-CE1 4.45Å; L107-F211 HydrophobicContact CD2-CZ 4.14Å
108Y98.9Very high92Very high0 Ų032.3 Ų32.30%017%0.17CC..EExtended strand (participates in β ladder)trans-119.9126.5-174.2-165.1-85.4000111.9Y124 L127 M131 M140 S141 V142 S185 D187 M379Y108-Y124 AromaticContact CE1-CD1 3.79Å; Y108-Y124 HydrophobicContact CE1-CD1 3.79Å; Y108-Y124 AromaticContact CE1-CE1 3.96Å; Y108-Y124 HydrophobicContact CE1-CE1 3.96Å; Y108-L127 HydrophobicContact CE1-CD2 4.37Å; Y108-L127 HydrophobicContact CE2-CD2 3.94Å; Y108-M131 HydrophobicContact CD2-CE 4.06Å; Y108-M140 PolarHBondContact N-O 2.95Å; Y108-S141 WeakPolarHBondContact O-CA 3.23Å; Y108-V142 PolarHBondContact O-N 3.45Å; Y108-S185 CarbonylContact C-O 3.59Å; Y108-S185 WeakPolarHBondContact CA-O 3.26Å; Y108-D187 WeakPolarHBondContact OH-CB 3.38Å; Y108-D187 PolarHBondContact OH-OD1 3.32Å; Y108-M379 WeakPolarHBondContact OH-CE 3.38Å
109F98.9Very high93Very high0 Ų031 Ų310%016%0.157CC..EExtended strand (participates in β ladder)trans-103.8122.9171.5-58.8-63.7000110L107 V142 Y144 A159 S163 V184 S185 G186 D187 G190 L193 A194 V197L107-F109 HydrophobicContact CD2-CE1 4.39Å; L107-F109 HydrophobicContact CD2-CE2 4.18Å; L107-F109 HydrophobicContact CD2-CZ 3.66Å; L107-F109 HydrophobicContact CG-CZ 4.14Å; F109-V142 HydrophobicContact CD1-CB 3.79Å; F109-V142 HydrophobicContact CD1-CG1 4.27Å; F109-V142 HydrophobicContact CD1-CG2 4.11Å; F109-V142 HydrophobicContact CE1-CB 3.77Å; F109-V142 HydrophobicContact CE1-CG1 4Å; F109-V142 HydrophobicContact CE1-CG2 3.72Å; F109-Y144 HydrophobicContact CB-CE1 4.38Å; F109-Y144 HydrophobicContact CD1-CD1 4.29Å; F109-A159 HydrophobicContact CD1-CB 4.3Å; F109-A159 HydrophobicContact CE1-CB 3.71Å; F109-A159 HydrophobicContact CE2-CB 4.33Å; F109-A159 HydrophobicContact CZ-CB 3.73Å; F109-S163 WeakPolarHBondContact CZ-OG 3.4Å; F109-V184 HydrophobicContact CD2-CG2 4.12Å; F109-V184 HydrophobicContact CE2-CG2 3.57Å; F109-S185 PolarHBondContact N-O 2.91Å; F109-G186 WeakPolarHBondContact O-CA 3.25Å; F109-D187 PolarHBondContact O-N 2.87Å; F109-G190 WeakPolarHBondContact O-CA 3.5Å; F109-L193 HydrophobicContact CB-CB 4.34Å; F109-L193 HydrophobicContact CD2-CB 4.16Å; F109-L193 HydrophobicContact CG-CB 4.17Å; F109-A194 HydrophobicContact CD2-CB 4.1Å; F109-V197 HydrophobicContact CE2-CG2 4.21Å; F109-V197 HydrophobicContact CZ-CG2 4.33Å
110H98.6Very high94.2Very high0 Ų025.7 Ų25.70%013%0.125CC..  trans-71.4150179.371.480.9000112.6G117 A119 Y124 V142 Y144 G190H110-G117 VanDerWaalsContact CE1-C 3.49Å; H110-A119 PolarHBondContact CD2-N 3.45Å; H110-Y124 HydrophobicContact CB-CD1 4.3Å; H110-Y124 HydrophobicContact CB-CD2 3.82Å; H110-Y124 HydrophobicContact CB-CE1 4Å; H110-Y124 HydrophobicContact CB-CE2 3.49Å; H110-Y124 VanDerWaalsContact CB-CE2 3.49Å; H110-Y124 HydrophobicContact CB-CG 4.24Å; H110-V142 PolarHBondContact CD2-O 2.99Å; H110-Y144 AromaticContact CD2-CE1 3.62Å; H110-Y144 AromaticContact CE1-CE1 3.82Å; H110-Y144 AromaticContact CE1-CZ 3.67Å; H110-Y144 AromaticContact CG-CE1 3.92Å; H110-Y144 AromaticContact ND1-CZ 3.99Å; H110-Y144 AromaticContact NE2-CE1 3.58Å; H110-Y144 AromaticContact NE2-CZ 3.86Å; H110-Y144 WeakPolarHBondContact O-CE1 3.39Å; H110-Y144 PolarHBondContact O-OH 3.21Å; H110-G190 WeakPolarHBondContact O-CA 3.09Å; H110-G190 PolarHBondContact O-N 3.48Å
111G97.8Very high95.1Very high0 Ų024 Ų240%011%0.112CC..  trans-75.8-174.816800000114.4Y124 D187G111-Y124 WeakPolarHBondContact CA-OH 3.39Å; G111-Y124 PolarHBondContact N-OH 2.99Å; G111-Y124 PolarHBondContact O-OH 2.62Å; G111-D187 WeakPolarHBondContact CA-O 3.12Å; G111-D187 PolarHBondContact N-O 3.49Å; G111-D187 PolarHBondContact N-OD1 2.86Å
112G95.3Very high96Very high23 Ų2317.2 Ų17.224%0.2379%0.086CC..SBendtrans122.725.9-179.900000115W114 A115 L116G112-W114 VanDerWaalsContact C-N 3.27Å; G112-W114 PolarHBondContact O-N 2.75Å; G112-A115 PolarHBondContact O-N 3.45Å; G112-L116 WeakPolarHBondContact CA-O 3.27Å; G112-L116 WeakPolarHBondContact O-CA 3.43Å; G112-L116 VanDerWaalsContact O-CB 3.3Å; G112-L116 WeakPolarHBondContact O-CB 3.39Å; G112-L116 PolarHBondContact O-N 3.2Å
113G96.4Very high96.2Very high4 Ų413.7 Ų13.74%0.0417%0.069CC..THydrogen-bonded Turntrans62.431.2173.800000114.2A115 F248G113-A115 WeakPolarHBondContact O-CB 3.46Å; G113-A115 PolarHBondContact O-N 3Å; G113-F248 WeakPolarHBondContact O-CD1 3.36Å
114W98.2Very high96.3Very high0 Ų013 Ų130%07%0.066CC..THydrogen-bonded Turntrans55.68.7-177-45.8-86.5000115.6G112 L146 A147 A189 N192 V220 M245 W249 Y252G112-W114 VanDerWaalsContact C-N 3.27Å; G112-W114 PolarHBondContact O-N 2.75Å; W114-L146 WeakPolarHBondContact O-CA 3.49Å; W114-L146 WeakPolarHBondContact O-CD2 3.48Å; W114-A147 PolarHBondContact O-N 2.63Å; W114-A189 HydrophobicContact CD2-CB 3.64Å; W114-A189 HydrophobicContact CE3-CB 4.21Å; W114-A189 HydrophobicContact CG-CB 3.89Å; W114-A189 HydrophobicContact CZ2-CB 4.09Å; W114-A189 PolarHBondContact NE1-O 2.92Å; W114-N192 HydrophobicContact CZ2-CB 3.65Å; W114-V220 HydrophobicContact CH2-CB 3.91Å; W114-V220 HydrophobicContact CH2-CG1 3.65Å; W114-V220 HydrophobicContact CH2-CG2 4.29Å; W114-V220 HydrophobicContact CZ2-CB 4.25Å; W114-V220 HydrophobicContact CZ2-CG1 4.4Å; W114-M245 HydrophobicContact CH2-CE 4.04Å; W114-M245 HydrophobicContact CZ3-CE 3.61Å; W114-W249 HydrophobicContact CH2-CD2 4.28Å; W114-W249 HydrophobicContact CH2-CE3 4.42Å; W114-W249 HydrophobicContact CH2-CH2 4.33Å; W114-W249 HydrophobicContact CH2-CZ2 4.15Å; W114-W249 HydrophobicContact CH2-CZ3 4.45Å; W114-W249 HydrophobicContact CZ3-CD2 4.37Å; W114-Y252 HydrophobicContact CB-CD2 3.49Å; W114-Y252 VanDerWaalsContact CB-CD2 3.49Å; W114-Y252 HydrophobicContact CB-CE2 4.12Å; W114-Y252 HydrophobicContact CB-CG 3.99Å; W114-Y252 AromaticContact CD1-CD2 3.82Å; W114-Y252 AromaticContact CD1-CE2 3.63Å; W114-Y252 AromaticContact CD1-CZ 3.97Å; W114-Y252 AromaticContact CD2-CD1 3.8Å; W114-Y252 HydrophobicContact CD2-CD1 3.8Å; W114-Y252 AromaticContact CD2-CD2 3.81Å; W114-Y252 HydrophobicContact CD2-CD2 3.81Å; W114-Y252 HydrophobicContact CD2-CE1 4.23Å; W114-Y252 HydrophobicContact CD2-CE2 4.23Å; W114-Y252 AromaticContact CD2-CG 3.56Å; W114-Y252 HydrophobicContact CD2-CG 3.56Å; W114-Y252 AromaticContact CE2-CD1 3.92Å; W114-Y252 AromaticContact CE2-CE1 3.93Å; W114-Y252 AromaticContact CE3-CD1 3.92Å; W114-Y252 HydrophobicContact CE3-CD1 3.92Å; W114-Y252 HydrophobicContact CE3-CD2 4.34Å; W114-Y252 AromaticContact CE3-CG 3.69Å; W114-Y252 HydrophobicContact CE3-CG 3.69Å; W114-Y252 HydrophobicContact CG-CD1 4.3Å; W114-Y252 AromaticContact CG-CD2 3.42Å; W114-Y252 HydrophobicContact CG-CD2 3.42Å; W114-Y252 VanDerWaalsContact CG-CD2 3.42Å; W114-Y252 AromaticContact CG-CE2 3.75Å; W114-Y252 HydrophobicContact CG-CE2 3.75Å; W114-Y252 AromaticContact CG-CG 3.73Å; W114-Y252 HydrophobicContact CG-CG 3.73Å; W114-Y252 HydrophobicContact CH2-CD1 4.2Å; W114-Y252 HydrophobicContact CZ2-CD1 4.13Å; W114-Y252 HydrophobicContact CZ2-CE1 4.15Å; W114-Y252 HydrophobicContact CZ3-CD1 4.1Å; W114-Y252 HydrophobicContact CZ3-CG 4.3Å; W114-Y252 AromaticContact NE1-CZ 3.86Å
115A94.9Very high96.3Very high0 Ų011.6 Ų11.60%06%0.061CC..THydrogen-bonded Turntrans-129.1-20.9-171.900000111V58 N62 G112 G113 A147 F248V58-A115 HydrophobicContact CG1-CB 3.89Å; V58-A115 WeakPolarHBondContact CG1-O 3.44Å; N62-A115 PolarHBondContact ND2-O 3.38Å; N62-A115 PolarHBondContact OD1-O 2.79Å; G112-A115 PolarHBondContact O-N 3.45Å; G113-A115 WeakPolarHBondContact O-CB 3.46Å; G113-A115 PolarHBondContact O-N 3Å; A115-A147 HydrophobicContact CB-CB 4.09Å; A115-F248 HydrophobicContact CB-CD1 4.12Å; A115-F248 HydrophobicContact CB-CE1 4.18Å
116L92.2Very high96.2Very high18 Ų1814.6 Ų14.69%0.0948%0.077CC..SBendtrans-126.5160.5-178.7-51.8174.2000111.3V58 L61 N62 G112 F248V58-L116 HydrophobicContact CG1-CD2 4.23Å; L61-L116 HydrophobicContact CB-CD2 3.62Å; L61-L116 HydrophobicContact CD1-CD2 4.36Å; N62-L116 VanDerWaalsContact OD1-CA 3.25Å; N62-L116 WeakPolarHBondContact OD1-CA 3.43Å; N62-L116 WeakPolarHBondContact OD1-CD2 3.06Å; G112-L116 WeakPolarHBondContact CA-O 3.27Å; G112-L116 WeakPolarHBondContact O-CA 3.43Å; G112-L116 VanDerWaalsContact O-CB 3.3Å; G112-L116 WeakPolarHBondContact O-CB 3.39Å; G112-L116 PolarHBondContact O-N 3.2Å; L116-F248 HydrophobicContact CD1-CE1 4.06Å; L116-F248 HydrophobicContact CD1-CZ 3.88Å; L116-F248 HydrophobicContact CG-CE1 4.26Å
117G92.4Very high96.1Very high8 Ų815 Ų158%0.0828%0.079CC..  trans101.7179172.600000113.5H110 M121 L146H110-G117 VanDerWaalsContact CE1-C 3.49Å; G117-M121 WeakPolarHBondContact CA-SD 3.26Å; G117-L146 WeakPolarHBondContact O-CD1 3.35Å
118S95.7Very high96Very high5 Ų515 Ų154%0.0358%0.079CC..  trans-165.8143.8175.31670000108.5K120 M121 Y124 E143S118-K120 PolarHBondContact O-N 3.18Å; S118-K120 WeakPolarHBondContact OG-CB 3.32Å; S118-K120 PolarHBondContact OG-N 3.28Å; S118-M121 PolarHBondContact N-SD 3.43Å; S118-M121 VanDerWaalsContact N-SD 3.35Å; S118-M121 WeakPolarHBondContact O-CG 3.48Å; S118-M121 PolarHBondContact O-N 3.07Å; S118-M121 VanDerWaalsContact O-N 3.11Å; S118-Y124 VanDerWaalsContact O-CD2 3.31Å; S118-Y124 WeakPolarHBondContact O-CD2 3.49Å; S118-E143 WeakPolarHBondContact CA-OE1 3.22Å; S118-E143 WeakPolarHBondContact CB-OE1 3.25Å; S118-E143 PolarHBondContact OG-OE1 2.9Å; S118-E143 PolarHBondContact OG-OE2 3.22Å
119A95.3Very high95.9Very high0 Ų016.7 Ų16.70%09%0.085CC..THydrogen-bonded Turntrans-58.3-18.1169.900000112.6H110 S141 E143H110-A119 PolarHBondContact CD2-N 3.45Å; A119-S141 WeakPolarHBondContact CB-O 3.34Å; A119-S141 VanDerWaalsContact CB-OG 3.31Å; A119-S141 WeakPolarHBondContact CB-OG 3.23Å; A119-E143 WeakPolarHBondContact CA-OE2 3.24Å; A119-E143 HydrophobicContact CB-CB 4.18Å; A119-E143 VanDerWaalsContact CB-OE2 3.25Å; A119-E143 WeakPolarHBondContact CB-OE2 3.44Å; A119-E143 PolarHBondContact N-OE2 2.86Å
120K95.7Very high95.8Very high56 Ų5619.5 Ų19.524%0.24310%0.098CC..THydrogen-bonded Turntrans-93.31.1-179.1-52.6-173.2-177.5-160.70114.1V70 I71 D83 S118V70-K120 WeakPolarHBondContact CA-O 3.5Å; V70-K120 HydrophobicContact CG1-CB 3.86Å; V70-K120 HydrophobicContact CG2-CB 4.43Å; I71-K120 WeakPolarHBondContact CG1-O 3.47Å; I71-K120 PolarHBondContact N-O 3.02Å; D83-K120 WeakPolarHBondContact OD2-CE 3.44Å; D83-K120 IonicContact OD2-NZ 3.93Å; D83-K120 PolarHBondContact OD2-NZ 2.98Å; S118-K120 PolarHBondContact O-N 3.18Å; S118-K120 WeakPolarHBondContact OG-CB 3.32Å; S118-K120 PolarHBondContact OG-N 3.28Å
121M94.8Very high95.8Very high18 Ų1819.5 Ų19.59%0.08910%0.098CC..BIsolated β-bridgetrans-64.3144.2175.9-66.6169.859.700111.4V65 E69 G117 S118 S123 Y124 D125V65-M121 HydrophobicContact CG1-CE 4.06Å; V65-M121 HydrophobicContact CG1-SD 4.1Å; E69-M121 HydrophobicContact CB-CB 3.97Å; E69-M121 HydrophobicContact CB-CE 4.08Å; E69-M121 HydrophobicContact CB-CG 3.87Å; E69-M121 HydrophobicContact CG-CE 4.11Å; E69-M121 CarbonylContact O-C 3.58Å; E69-M121 VanDerWaalsContact O-CA 3.29Å; E69-M121 WeakPolarHBondContact O-CA 3.48Å; G117-M121 WeakPolarHBondContact CA-SD 3.26Å; S118-M121 PolarHBondContact N-SD 3.43Å; S118-M121 VanDerWaalsContact N-SD 3.35Å; S118-M121 WeakPolarHBondContact O-CG 3.48Å; S118-M121 PolarHBondContact O-N 3.07Å; S118-M121 VanDerWaalsContact O-N 3.11Å; M121-S123 VanDerWaalsContact C-N 3.29Å; M121-S123 PolarHBondContact O-N 3.17Å; M121-Y124 HydrophobicContact CB-CD2 3.9Å; M121-Y124 HydrophobicContact CE-CE2 4.28Å; M121-Y124 HydrophobicContact CG-CD2 4.36Å; M121-Y124 PolarHBondContact O-N 3.34Å; M121-Y124 HydrophobicContact SD-CD2 3.95Å; M121-Y124 HydrophobicContact SD-CE2 3.73Å; M121-D125 VanDerWaalsContact O-CB 3.32Å; M121-D125 WeakPolarHBondContact O-CB 3.45Å; M121-D125 PolarHBondContact O-N 3.32Å
122R94.6Very high95.8Very high88 Ų8819.5 Ų19.533%0.33210%0.098SC..Hα-helixtrans-53.4-43.9177.9-175-173.7-59.31135.5112.4V68 E69 I71 D125 L126V68-R122 PolarHBondContact O-NH1 3.03Å; V68-R122 PolarHBondContact O-NH2 3.14Å; E69-R122 PolarHBondContact O-N 3.47Å; E69-R122 IonicContact OE1-CZ 3.02Å; E69-R122 IonicContact OE1-NH1 3.76Å; E69-R122 PolarHBondContact OE1-NH1 2.94Å; I71-R122 HydrophobicContact CD1-CB 4.33Å; I71-R122 HydrophobicContact CD1-CG 4.46Å; I71-R122 HydrophobicContact CG2-CB 4.33Å; R122-D125 PolarHBondContact O-N 3.06Å; R122-L126 HydrophobicContact CG-CD1 4.12Å; R122-L126 HydrophobicContact CG-CG 4.46Å; R122-L126 WeakPolarHBondContact O-CB 3.24Å; R122-L126 VanDerWaalsContact O-CG 3.25Å; R122-L126 WeakPolarHBondContact O-CG 3.29Å; R122-L126 PolarHBondContact O-N 2.97Å
123S93Very high95.8Very high11 Ų1122.8 Ų22.88%0.07711%0.107CC..Hα-helixtrans-59.6-47.6177.839.40000113E69 M121 L127 V380E69-S123 PolarHBondContact OE2-N 2.62Å; E69-S123 PolarHBondContact OE2-OG 3.32Å; M121-S123 VanDerWaalsContact C-N 3.29Å; M121-S123 PolarHBondContact O-N 3.17Å; S123-L127 PolarHBondContact O-N 2.76Å; S123-L127 VanDerWaalsContact O-N 3.11Å; S123-V380 WeakPolarHBondContact CB-O 3.45Å
124Y96.4Very high95.8Very high9 Ų926.4 Ų26.44%0.03513%0.125CC..Hα-helixtrans-70.1-36.4175.6-66.4-58.3000112.8Y108 H110 G111 S118 M121 L127 C128 D187 V380Y108-Y124 AromaticContact CE1-CD1 3.79Å; Y108-Y124 HydrophobicContact CE1-CD1 3.79Å; Y108-Y124 AromaticContact CE1-CE1 3.96Å; Y108-Y124 HydrophobicContact CE1-CE1 3.96Å; H110-Y124 HydrophobicContact CB-CD1 4.3Å; H110-Y124 HydrophobicContact CB-CD2 3.82Å; H110-Y124 HydrophobicContact CB-CE1 4Å; H110-Y124 HydrophobicContact CB-CE2 3.49Å; H110-Y124 VanDerWaalsContact CB-CE2 3.49Å; H110-Y124 HydrophobicContact CB-CG 4.24Å; G111-Y124 WeakPolarHBondContact CA-OH 3.39Å; G111-Y124 PolarHBondContact N-OH 2.99Å; G111-Y124 PolarHBondContact O-OH 2.62Å; S118-Y124 VanDerWaalsContact O-CD2 3.31Å; S118-Y124 WeakPolarHBondContact O-CD2 3.49Å; M121-Y124 HydrophobicContact CB-CD2 3.9Å; M121-Y124 HydrophobicContact CE-CE2 4.28Å; M121-Y124 HydrophobicContact CG-CD2 4.36Å; M121-Y124 PolarHBondContact O-N 3.34Å; M121-Y124 HydrophobicContact SD-CD2 3.95Å; M121-Y124 HydrophobicContact SD-CE2 3.73Å; Y124-L127 PolarHBondContact O-N 3.26Å; Y124-C128 WeakPolarHBondContact O-CB 3.43Å; Y124-C128 PolarHBondContact O-N 3.43Å; Y124-C128 PolarHBondContact O-SG 2.59Å; Y124-D187 WeakPolarHBondContact CE1-OD1 3.46Å; Y124-D187 PolarHBondContact OH-OD1 3.43Å; Y124-D187 PolarHBondContact OH-OD2 3.2Å; Y124-V380 HydrophobicContact CE1-CG2 4.13Å
125D96.6Very high95.6Very high4 Ų426.6 Ų26.62%0.02113%0.126CC..Hα-helixtrans-62.5-43.4175.7178.2-83.9000111.3I71 R92 F94 M121 R122 C128 R129I71-D125 HydrophobicContact CD1-CB 3.97Å; I71-D125 HydrophobicContact CG1-CB 4.47Å; R92-D125 IonicContact NH1-OD2 3.22Å; F94-D125 HydrophobicContact CE1-CB 4.36Å; F94-D125 WeakPolarHBondContact CE1-OD2 3.43Å; F94-D125 HydrophobicContact CZ-CB 4.19Å; M121-D125 VanDerWaalsContact O-CB 3.32Å; M121-D125 WeakPolarHBondContact O-CB 3.45Å; M121-D125 PolarHBondContact O-N 3.32Å; R122-D125 PolarHBondContact O-N 3.06Å; D125-C128 PolarHBondContact O-N 3.07Å; D125-R129 WeakPolarHBondContact O-CB 3.33Å; D125-R129 VanDerWaalsContact O-CG 3.25Å; D125-R129 WeakPolarHBondContact O-CG 3.19Å; D125-R129 PolarHBondContact O-N 3.38Å; D125-R129 IonicContact OD1-CZ 3.74Å; D125-R129 VanDerWaalsContact OD1-CZ 3.3Å; D125-R129 IonicContact OD1-NE 3.58Å; D125-R129 PolarHBondContact OD1-NE 3.3Å; D125-R129 IonicContact OD1-NH2 3.92Å; D125-R129 PolarHBondContact OD1-NH2 3.09Å; D125-R129 VanDerWaalsContact OD1-NH2 3.12Å; D125-R129 IonicContact OD2-CZ 3.9Å; D125-R129 IonicContact OD2-NE 3.25Å; D125-R129 IonicContact OD2-NH2 2.77Å; D125-R129 PolarHBondContact OD2-NH2 3.39Å
126L95.8Very high95.6Very high63 Ų6328 Ų2833%0.3313%0.134SC..Hα-helixtrans-64.6-41.1174.1-71172.6000112.5R122 K130 N383R122-L126 HydrophobicContact CG-CD1 4.12Å; R122-L126 HydrophobicContact CG-CG 4.46Å; R122-L126 WeakPolarHBondContact O-CB 3.24Å; R122-L126 VanDerWaalsContact O-CG 3.25Å; R122-L126 WeakPolarHBondContact O-CG 3.29Å; R122-L126 PolarHBondContact O-N 2.97Å; L126-K130 WeakPolarHBondContact O-CB 3.41Å; L126-K130 PolarHBondContact O-N 3.37Å; L126-N383 HydrophobicContact CD1-CB 3.61Å
127L96.8Very high95.9Very high9 Ų927.2 Ų27.25%0.04713%0.13CC..Hα-helixtrans-61.9-49.6175173.263.4000111.4Y108 S123 Y124 K130 M131 M379 M395 Y398Y108-L127 HydrophobicContact CE1-CD2 4.37Å; Y108-L127 HydrophobicContact CE2-CD2 3.94Å; S123-L127 PolarHBondContact O-N 2.76Å; S123-L127 VanDerWaalsContact O-N 3.11Å; Y124-L127 PolarHBondContact O-N 3.26Å; L127-K130 PolarHBondContact O-N 3.01Å; L127-M131 HydrophobicContact CG-CE 4.15Å; L127-M131 PolarHBondContact O-N 3.34Å; L127-M379 HydrophobicContact CD2-CE 3.87Å; L127-M395 HydrophobicContact CD1-CG 3.64Å; L127-M395 HydrophobicContact CD1-SD 3.76Å; L127-Y398 HydrophobicContact CD1-CE1 4.39Å
128C98.1Very high96.2Very high0 Ų026.8 Ų26.80%013%0.126CC..Hα-helixtrans-68.2-38.5-177.3-65.10000112.2F94 Y124 D125 M131 A132 I139F94-C128 HydrophobicContact CD1-CB 4.06Å; F94-C128 HydrophobicContact CD2-CB 3.43Å; F94-C128 VanDerWaalsContact CD2-CB 3.43Å; F94-C128 HydrophobicContact CE1-CB 3.99Å; F94-C128 HydrophobicContact CE2-CB 3.33Å; F94-C128 HydrophobicContact CG-CB 3.81Å; F94-C128 HydrophobicContact CZ-CB 3.64Å; Y124-C128 WeakPolarHBondContact O-CB 3.43Å; Y124-C128 PolarHBondContact O-N 3.43Å; Y124-C128 PolarHBondContact O-SG 2.59Å; D125-C128 PolarHBondContact O-N 3.07Å; C128-M131 HydrophobicContact CB-CE 4.43Å; C128-M131 PolarHBondContact O-N 3.33Å; C128-A132 WeakPolarHBondContact O-CB 3.29Å; C128-A132 PolarHBondContact O-N 3.33Å; C128-I139 HydrophobicContact CB-CB 4.36Å; C128-I139 HydrophobicContact CB-CG2 3.9Å
129R97.3Very high96.3Very high34 Ų3426.6 Ų26.613%0.12812%0.124CC..Hα-helixtrans-59.1-48.3170.2-76.2176.9-159-77-13.1111.4R74 F94 D125 M131 A132 E133R74-R129 PolarHBondContact O-NH1 3.24Å; R74-R129 PolarHBondContact O-NH2 2.94Å; F94-R129 HydrophobicContact CD1-CG 3.66Å; F94-R129 HydrophobicContact CE1-CG 3.78Å; D125-R129 WeakPolarHBondContact O-CB 3.33Å; D125-R129 VanDerWaalsContact O-CG 3.25Å; D125-R129 WeakPolarHBondContact O-CG 3.19Å; D125-R129 PolarHBondContact O-N 3.38Å; D125-R129 IonicContact OD1-CZ 3.74Å; D125-R129 VanDerWaalsContact OD1-CZ 3.3Å; D125-R129 IonicContact OD1-NE 3.58Å; D125-R129 PolarHBondContact OD1-NE 3.3Å; D125-R129 IonicContact OD1-NH2 3.92Å; D125-R129 PolarHBondContact OD1-NH2 3.09Å; D125-R129 VanDerWaalsContact OD1-NH2 3.12Å; D125-R129 IonicContact OD2-CZ 3.9Å; D125-R129 IonicContact OD2-NE 3.25Å; D125-R129 IonicContact OD2-NH2 2.77Å; D125-R129 PolarHBondContact OD2-NH2 3.39Å; R129-M131 VanDerWaalsContact C-N 3.3Å; R129-M131 PolarHBondContact O-N 3.05Å; R129-A132 WeakPolarHBondContact O-CB 3.17Å; R129-A132 PolarHBondContact O-N 3.34Å; R129-A132 VanDerWaalsContact O-N 3.09Å; R129-E133 WeakPolarHBondContact O-CG 3.22Å; R129-E133 PolarHBondContact O-N 2.67Å
130K96.7Very high96.5Very high60 Ų6026.6 Ų26.626%0.26112%0.124SC..Hα-helixtrans-61.4-41-179.2-171.6171.7175.543.50111.7L126 L127 D134 M395 I399L126-K130 WeakPolarHBondContact O-CB 3.41Å; L126-K130 PolarHBondContact O-N 3.37Å; L127-K130 PolarHBondContact O-N 3.01Å; K130-D134 VanDerWaalsContact CE-OD2 3.26Å; K130-D134 WeakPolarHBondContact CE-OD2 3.34Å; K130-D134 VanDerWaalsContact NZ-CG 3.32Å; K130-D134 IonicContact NZ-OD1 2.76Å; K130-D134 PolarHBondContact NZ-OD1 2.89Å; K130-D134 IonicContact NZ-OD2 3.12Å; K130-D134 PolarHBondContact NZ-OD2 3.3Å; K130-D134 VanDerWaalsContact O-CB 3.29Å; K130-D134 WeakPolarHBondContact O-CB 3.44Å; K130-D134 PolarHBondContact O-N 3.49Å; K130-M395 HydrophobicContact CD-CE 3.72Å; K130-M395 HydrophobicContact CD-SD 4.17Å; K130-I399 HydrophobicContact CB-CD1 4.26Å; K130-I399 HydrophobicContact CD-CD1 3.93Å; K130-I399 HydrophobicContact CG-CD1 3.78Å
131M97.6Very high96.6Very high0 Ų024 Ų240%011%0.113CC..Hα-helixtrans-61.1-46.3172.2-75.4-170.6-59.800111.7Y108 L127 C128 R129 E133 L135 I139 Y398 I399 L402Y108-M131 HydrophobicContact CD2-CE 4.06Å; L127-M131 HydrophobicContact CG-CE 4.15Å; L127-M131 PolarHBondContact O-N 3.34Å; C128-M131 HydrophobicContact CB-CE 4.43Å; C128-M131 PolarHBondContact O-N 3.33Å; R129-M131 VanDerWaalsContact C-N 3.3Å; R129-M131 PolarHBondContact O-N 3.05Å; M131-E133 VanDerWaalsContact C-N 3.33Å; M131-E133 PolarHBondContact O-N 2.94Å; M131-L135 HydrophobicContact CB-CD1 4.27Å; M131-L135 HydrophobicContact CG-CD1 4.5Å; M131-L135 WeakPolarHBondContact O-CB 3.47Å; M131-L135 VanDerWaalsContact O-CG 3.29Å; M131-L135 WeakPolarHBondContact O-CG 3.4Å; M131-L135 PolarHBondContact O-N 3.32Å; M131-I139 HydrophobicContact CB-CD1 3.66Å; M131-I139 HydrophobicContact CB-CG1 3.87Å; M131-I139 HydrophobicContact CE-CD1 4.4Å; M131-I139 HydrophobicContact CE-CG1 4.48Å; M131-I139 HydrophobicContact CE-CG2 3.73Å; M131-Y398 HydrophobicContact CG-CE1 4.48Å; M131-Y398 HydrophobicContact SD-CE1 3.47Å; M131-Y398 WeakPolarHBondContact SD-CE1 3.38Å; M131-Y398 PolarHBondContact SD-OH 3.49Å; M131-I399 HydrophobicContact CG-CD1 4.02Å; M131-I399 HydrophobicContact CG-CG1 3.83Å; M131-L402 HydrophobicContact SD-CD1 3.95Å
132A97.8Very high96.8Very high0 Ų023.1 Ų23.10%011%0.108CC..Hα-helixtrans-60.1-43.3179.500000112.1V79 F94 P96 C128 R129 D136 A137 I139V79-A132 HydrophobicContact CG1-CB 4.14Å; V79-A132 HydrophobicContact CG2-CB 4.19Å; F94-A132 HydrophobicContact CB-CB 4.09Å; P96-A132 WeakPolarHBondContact CB-O 3.48Å; C128-A132 WeakPolarHBondContact O-CB 3.29Å; C128-A132 PolarHBondContact O-N 3.33Å; R129-A132 WeakPolarHBondContact O-CB 3.17Å; R129-A132 PolarHBondContact O-N 3.34Å; R129-A132 VanDerWaalsContact O-N 3.09Å; A132-D136 VanDerWaalsContact O-CA 3.28Å; A132-D136 WeakPolarHBondContact O-CA 3.35Å; A132-D136 PolarHBondContact O-N 2.99Å; A132-D136 VanDerWaalsContact O-N 3.15Å; A132-A137 VanDerWaalsContact CA-O 3.28Å; A132-A137 WeakPolarHBondContact CA-O 3.3Å; A132-A137 WeakPolarHBondContact CB-O 3.46Å; A132-A137 PolarHBondContact O-N 2.95Å; A132-I139 HydrophobicContact CB-CG1 4.01Å
133E95.4Very high97Very high92 Ų9221 Ų2143%0.4310%0.102SC..Hα-helixtrans-70.5-51.6179.8-68.1175.6154.600112.7T78 V79 R129 M131 L135T78-E133 WeakPolarHBondContact CB-OE1 3.32Å; T78-E133 PolarHBondContact OG1-OE1 2.7Å; V79-E133 HydrophobicContact CG2-CG 3.34Å; R129-E133 WeakPolarHBondContact O-CG 3.22Å; R129-E133 PolarHBondContact O-N 2.67Å; M131-E133 VanDerWaalsContact C-N 3.33Å; M131-E133 PolarHBondContact O-N 2.94Å; E133-L135 VanDerWaalsContact C-N 3.33Å; E133-L135 PolarHBondContact O-N 3.24Å
134D95.8Very high97.3Very high80 Ų8020.5 Ų20.543%0.42810%0.099SC..Hα-helixtrans-71.4-29.3-173.4-71.50.6000112.1K130 I399K130-D134 VanDerWaalsContact CE-OD2 3.26Å; K130-D134 WeakPolarHBondContact CE-OD2 3.34Å; K130-D134 VanDerWaalsContact NZ-CG 3.32Å; K130-D134 IonicContact NZ-OD1 2.76Å; K130-D134 PolarHBondContact NZ-OD1 2.89Å; K130-D134 IonicContact NZ-OD2 3.12Å; K130-D134 PolarHBondContact NZ-OD2 3.3Å; K130-D134 VanDerWaalsContact O-CB 3.29Å; K130-D134 WeakPolarHBondContact O-CB 3.44Å; K130-D134 PolarHBondContact O-N 3.49Å; D134-I399 HydrophobicContact CB-CG2 3.8Å
135L95.4Very high97.3Very high3 Ų325.1 Ų25.12%0.01612%0.116CC..Hα-helixtrans-104.4-8.7-173.5-55.6177000114R104 M131 E133 A137 I399 L402 D403R104-L135 PolarHBondContact NH1-O 3.29Å; M131-L135 HydrophobicContact CB-CD1 4.27Å; M131-L135 HydrophobicContact CG-CD1 4.5Å; M131-L135 WeakPolarHBondContact O-CB 3.47Å; M131-L135 VanDerWaalsContact O-CG 3.29Å; M131-L135 WeakPolarHBondContact O-CG 3.4Å; M131-L135 PolarHBondContact O-N 3.32Å; E133-L135 VanDerWaalsContact C-N 3.33Å; E133-L135 PolarHBondContact O-N 3.24Å; L135-A137 HydrophobicContact CB-CB 3.65Å; L135-A137 HydrophobicContact CD1-CB 4.42Å; L135-A137 PolarHBondContact O-N 3.45Å; L135-I399 HydrophobicContact CD1-CG2 4.41Å; L135-I399 HydrophobicContact CD2-CG2 3.87Å; L135-I399 WeakPolarHBondContact CD2-O 3.4Å; L135-I399 HydrophobicContact CG-CG2 4.04Å; L135-L402 HydrophobicContact CD1-CB 3.78Å; L135-L402 HydrophobicContact CD1-CD1 3.83Å; L135-L402 HydrophobicContact CD1-CG 4.5Å; L135-L402 HydrophobicContact CD2-CB 4.34Å; L135-D403 HydrophobicContact CD2-CB 3.52Å
136D95.2Very high97.4Very high31 Ų3125.9 Ų25.917%0.16612%0.12CC..THydrogen-bonded Turntrans46.451.8-163.2-162.920000111P96 S100 A132P96-D136 WeakPolarHBondContact CB-OD1 3.37Å; P96-D136 WeakPolarHBondContact CG-OD1 3.29Å; S100-D136 WeakPolarHBondContact CB-OD2 3.27Å; S100-D136 PolarHBondContact OG-OD2 3.03Å; A132-D136 VanDerWaalsContact O-CA 3.28Å; A132-D136 WeakPolarHBondContact O-CA 3.35Å; A132-D136 PolarHBondContact O-N 2.99Å; A132-D136 VanDerWaalsContact O-N 3.15Å
137A97.3Very high97.3Very high0 Ų023 Ų230%011%0.105CC..EExtended strand (participates in β ladder)trans-117140.9-172.100000112.2P96 R104 A132 L135 I139P96-A137 VanDerWaalsContact CD-O 3.27Å; P96-A137 WeakPolarHBondContact CD-O 3.41Å; R104-A137 HydrophobicContact CB-CB 3.72Å; R104-A137 CarbonylContact O-C 3.58Å; R104-A137 VanDerWaalsContact O-CA 3.26Å; R104-A137 WeakPolarHBondContact O-CA 3.37Å; A132-A137 VanDerWaalsContact CA-O 3.28Å; A132-A137 WeakPolarHBondContact CA-O 3.3Å; A132-A137 WeakPolarHBondContact CB-O 3.46Å; A132-A137 PolarHBondContact O-N 2.95Å; L135-A137 HydrophobicContact CB-CB 3.65Å; L135-A137 HydrophobicContact CD1-CB 4.42Å; L135-A137 PolarHBondContact O-N 3.45Å; A137-I139 HydrophobicContact CB-CD1 3.76Å; A137-I139 PolarHBondContact O-N 2.87Å
138V98.6Very high97.1Very high0 Ų024.7 Ų24.70%012%0.117CC..EExtended strand (participates in β ladder)trans-79.4117.8167.7-179.10000108.4V93 F94 Q95 R103 R104 G105 V106 M140 Y175 I177V93-V138 HydrophobicContact CG1-CG1 4.17Å; F94-V138 WeakPolarHBondContact O-CA 3.35Å; Q95-V138 HydrophobicContact CG-CG2 4.4Å; R103-V138 HydrophobicContact CB-CG2 4.33Å; R104-V138 PolarHBondContact O-N 2.94Å; G105-V138 WeakPolarHBondContact CA-O 3.3Å; V106-V138 PolarHBondContact N-O 2.97Å; V138-M140 HydrophobicContact CG1-CE 3.84Å; V138-M140 HydrophobicContact CG1-CG 4.39Å; V138-Y175 HydrophobicContact CG1-CD1 4.1Å; V138-Y175 HydrophobicContact CG1-CG 4.3Å; V138-I177 HydrophobicContact CB-CD1 3.79Å; V138-I177 HydrophobicContact CB-CG1 4Å; V138-I177 HydrophobicContact CG1-CD1 3.98Å; V138-I177 HydrophobicContact CG2-CD1 4.29Å; V138-I177 HydrophobicContact CG2-CG1 4Å
139I98.8Very high96.9Very high0 Ų030.1 Ų30.10%014%0.142CC..EExtended strand (participates in β ladder)trans-106.7130.4178.9-42.7-61000109.1V93 F94 V106 C128 M131 A132 A137V93-I139 CarbonylContact C-O 3.59Å; V93-I139 WeakPolarHBondContact CA-O 3.37Å; F94-I139 HydrophobicContact CB-CB 4.14Å; F94-I139 HydrophobicContact CD2-CB 4.33Å; F94-I139 PolarHBondContact N-O 3.07Å; F94-I139 PolarHBondContact O-N 3.47Å; V106-I139 HydrophobicContact CB-CD1 3.61Å; V106-I139 HydrophobicContact CG2-CD1 3.73Å; V106-I139 CarbonylContact O-C 3.57Å; V106-I139 WeakPolarHBondContact O-CA 3.28Å; C128-I139 HydrophobicContact CB-CB 4.36Å; C128-I139 HydrophobicContact CB-CG2 3.9Å; M131-I139 HydrophobicContact CB-CD1 3.66Å; M131-I139 HydrophobicContact CB-CG1 3.87Å; M131-I139 HydrophobicContact CE-CD1 4.4Å; M131-I139 HydrophobicContact CE-CG1 4.48Å; M131-I139 HydrophobicContact CE-CG2 3.73Å; A132-I139 HydrophobicContact CB-CG1 4.01Å; A137-I139 HydrophobicContact CB-CD1 3.76Å; A137-I139 PolarHBondContact O-N 2.87Å
140M98.8Very high96.9Very high1 Ų128.7 Ų28.71%0.00514%0.138CC..EExtended strand (participates in β ladder)trans-120106176.1-64.2-163.9-174.500109.6L86 T91 V93 V106 L107 Y108 V138 F166 L171 Y175L86-M140 HydrophobicContact CD1-CB 3.95Å; L86-M140 HydrophobicContact CD1-SD 3.79Å; L86-M140 HydrophobicContact CD2-SD 3.71Å; L86-M140 HydrophobicContact CG-SD 4.05Å; T91-M140 HydrophobicContact CG2-CB 3.79Å; T91-M140 HydrophobicContact CG2-CG 4.47Å; V93-M140 HydrophobicContact CG1-CE 4.14Å; V93-M140 HydrophobicContact CG1-CG 4.24Å; V93-M140 HydrophobicContact CG2-CE 4.46Å; V93-M140 HydrophobicContact CG2-CG 4.18Å; V93-M140 HydrophobicContact CG2-SD 4.35Å; V106-M140 PolarHBondContact O-N 3.46Å; L107-M140 HydrophobicContact CD1-CB 3.97Å; Y108-M140 PolarHBondContact N-O 2.95Å; V138-M140 HydrophobicContact CG1-CE 3.84Å; V138-M140 HydrophobicContact CG1-CG 4.39Å; M140-F166 HydrophobicContact CB-CD2 4.32Å; M140-F166 HydrophobicContact CB-CE2 4.35Å; M140-F166 HydrophobicContact CG-CD2 4.24Å; M140-F166 HydrophobicContact CG-CE2 4.13Å; M140-F166 HydrophobicContact SD-CD2 3.74Å; M140-F166 HydrophobicContact SD-CE2 4.07Å; M140-L171 HydrophobicContact CE-CD1 4.24Å; M140-L171 HydrophobicContact CE-CD2 3.72Å; M140-L171 HydrophobicContact CE-CG 4.21Å; M140-L171 HydrophobicContact SD-CD1 4.38Å; M140-L171 HydrophobicContact SD-CD2 4.13Å; M140-Y175 HydrophobicContact CE-CD1 4.3Å; M140-Y175 HydrophobicContact CE-CD2 3.51Å; M140-Y175 HydrophobicContact CE-CE1 4.27Å; M140-Y175 HydrophobicContact CE-CE2 3.46Å; M140-Y175 VanDerWaalsContact CE-CE2 3.46Å; M140-Y175 HydrophobicContact CE-CG 3.94Å
141S98.8Very high97Very high0 Ų028 Ų280%014%0.138CC..EExtended strand (participates in β ladder)trans-92.2115.1-179.8-170.30000109.6T91 R92 Y108 A119T91-S141 CarbonylContact C-O 3.6Å; T91-S141 WeakPolarHBondContact CA-O 3.45Å; T91-S141 WeakPolarHBondContact CG2-O 3.47Å; R92-S141 PolarHBondContact N-O 3.39Å; R92-S141 PolarHBondContact O-N 3.3Å; Y108-S141 WeakPolarHBondContact O-CA 3.23Å; A119-S141 WeakPolarHBondContact CB-O 3.34Å; A119-S141 VanDerWaalsContact CB-OG 3.31Å; A119-S141 WeakPolarHBondContact CB-OG 3.23Å
142V98.8Very high97Very high0 Ų029.2 Ų29.20%014%0.144CC..EExtended strand (participates in β ladder)trans-89.9129.4-168.2-177.70000111.3L86 V89 L107 Y108 F109 H110 Y144 A162L86-V142 HydrophobicContact CD1-CG2 4.34Å; V89-V142 HydrophobicContact CG1-CG1 3.62Å; L107-V142 HydrophobicContact CD1-CG2 3.46Å; L107-V142 VanDerWaalsContact CD1-CG2 3.46Å; L107-V142 HydrophobicContact CG-CG2 4.05Å; Y108-V142 PolarHBondContact O-N 3.45Å; F109-V142 HydrophobicContact CD1-CB 3.79Å; F109-V142 HydrophobicContact CD1-CG1 4.27Å; F109-V142 HydrophobicContact CD1-CG2 4.11Å; F109-V142 HydrophobicContact CE1-CB 3.77Å; F109-V142 HydrophobicContact CE1-CG1 4Å; F109-V142 HydrophobicContact CE1-CG2 3.72Å; H110-V142 PolarHBondContact CD2-O 2.99Å; V142-Y144 PolarHBondContact O-N 3.13Å; V142-A162 HydrophobicContact CG1-CB 3.93Å; V142-A162 HydrophobicContact CG2-CB 4.1Å
143E98.1Very high97Very high43 Ų4331.2 Ų31.220%0.20116%0.157CC..  trans-9571.7174.8-168.379.2-15600109.4P90 S118 A119P90-E143 HydrophobicContact CB-CB 4.07Å; P90-E143 WeakPolarHBondContact O-CA 3.33Å; P90-E143 VanDerWaalsContact O-CB 3.3Å; P90-E143 WeakPolarHBondContact O-CB 3.49Å; P90-E143 PolarHBondContact O-N 3.13Å; S118-E143 WeakPolarHBondContact CA-OE1 3.22Å; S118-E143 WeakPolarHBondContact CB-OE1 3.25Å; S118-E143 PolarHBondContact OG-OE1 2.9Å; S118-E143 PolarHBondContact OG-OE2 3.22Å; A119-E143 WeakPolarHBondContact CA-OE2 3.24Å; A119-E143 HydrophobicContact CB-CB 4.18Å; A119-E143 VanDerWaalsContact CB-OE2 3.25Å; A119-E143 WeakPolarHBondContact CB-OE2 3.44Å; A119-E143 PolarHBondContact N-OE2 2.86Å
144Y98.6Very high97.2Very high2 Ų229.4 Ų29.41%0.00815%0.15CC..  trans-68.7152.9176.761-90.6000110.5F109 H110 V142 L146 Q155 L193F109-Y144 HydrophobicContact CB-CE1 4.38Å; F109-Y144 HydrophobicContact CD1-CD1 4.29Å; H110-Y144 AromaticContact CD2-CE1 3.62Å; H110-Y144 AromaticContact CE1-CE1 3.82Å; H110-Y144 AromaticContact CE1-CZ 3.67Å; H110-Y144 AromaticContact CG-CE1 3.92Å; H110-Y144 AromaticContact ND1-CZ 3.99Å; H110-Y144 AromaticContact NE2-CE1 3.58Å; H110-Y144 AromaticContact NE2-CZ 3.86Å; H110-Y144 WeakPolarHBondContact O-CE1 3.39Å; H110-Y144 PolarHBondContact O-OH 3.21Å; V142-Y144 PolarHBondContact O-N 3.13Å; Y144-L146 HydrophobicContact CD2-CD2 4Å; Y144-L146 HydrophobicContact CE2-CD2 3.46Å; Y144-L146 VanDerWaalsContact CE2-CD2 3.46Å; Y144-Q155 HydrophobicContact CD2-CB 3.99Å; Y144-Q155 HydrophobicContact CD2-CG 4.03Å; Y144-Q155 HydrophobicContact CE2-CG 4.48Å; Y144-L193 HydrophobicContact CD1-CD1 3.86Å; Y144-L193 HydrophobicContact CD2-CD1 3.86Å; Y144-L193 HydrophobicContact CE1-CD1 3.69Å; Y144-L193 HydrophobicContact CE2-CD1 3.71Å; Y144-L193 HydrophobicContact CG-CD1 3.95Å
145R98.1Very high97.3Very high105 Ų10525.6 Ų25.640%0.39613%0.13SC..  trans-61.4155.3-179.7-68.8172.7-75.4158.6-3.1111.1A150 D154 Q155 D158R145-A150 HydrophobicContact CB-CB 3.42Å; R145-A150 VanDerWaalsContact CB-CB 3.42Å; R145-A150 HydrophobicContact CG-CB 4.33Å; R145-D154 IonicContact CZ-OD1 2.89Å; R145-D154 IonicContact NH1-OD1 2.92Å; R145-D154 PolarHBondContact NH1-OD1 2.75Å; R145-D154 IonicContact NH1-OD2 3.94Å; R145-D154 PolarHBondContact NH1-OD2 3.22Å; R145-D154 PolarHBondContact NH2-O 3.21Å; R145-D154 IonicContact NH2-OD1 3.34Å; R145-D154 PolarHBondContact NH2-OD1 2.92Å; R145-Q155 WeakPolarHBondContact O-CG 3.31Å; R145-D158 WeakPolarHBondContact CB-OD2 3.46Å; R145-D158 WeakPolarHBondContact CG-OD2 3.25Å; R145-D158 IonicContact CZ-OD1 3.5Å; R145-D158 IonicContact CZ-OD2 2.65Å; R145-D158 PolarHBondContact N-OD2 3.44Å; R145-D158 IonicContact NE-OD1 2.99Å; R145-D158 PolarHBondContact NE-OD1 3.31Å; R145-D158 VanDerWaalsContact NE-OD1 3.09Å; R145-D158 IonicContact NE-OD2 3.12Å; R145-D158 PolarHBondContact NE-OD2 2.84Å; R145-D158 IonicContact NH2-OD1 3.22Å; R145-D158 PolarHBondContact NH2-OD1 2.89Å; R145-D158 IonicContact NH2-OD2 3.73Å
146L97.4Very high97.5Very high21 Ų2125.9 Ų25.911%0.1113%0.131CC..  trans-123.5154.5-176.8-62.4176.4000112.2W114 G117 Y144 E149 A150W114-L146 WeakPolarHBondContact O-CA 3.49Å; W114-L146 WeakPolarHBondContact O-CD2 3.48Å; G117-L146 WeakPolarHBondContact O-CD1 3.35Å; Y144-L146 HydrophobicContact CD2-CD2 4Å; Y144-L146 HydrophobicContact CE2-CD2 3.46Å; Y144-L146 VanDerWaalsContact CE2-CD2 3.46Å; L146-E149 PolarHBondContact O-N 2.8Å; L146-A150 CarbonylContact C-O 3.48Å; L146-A150 PolarHBondContact O-N 3.27Å
147A94.9Very high97.7Very high1 Ų128.1 Ų28.11%0.00814%0.14CC..THydrogen-bonded Turntrans-66.2148.5169.300000110.2V58 W114 A115 A150 V151 Q251V58-A147 VanDerWaalsContact CG1-O 3.28Å; V58-A147 WeakPolarHBondContact CG1-O 3.47Å; W114-A147 PolarHBondContact O-N 2.63Å; A115-A147 HydrophobicContact CB-CB 4.09Å; A147-A150 WeakPolarHBondContact CA-O 3.31Å; A147-A150 PolarHBondContact N-O 2.76Å; A147-A150 VanDerWaalsContact N-O 3.15Å; A147-V151 HydrophobicContact CB-CG1 4.43Å; A147-Q251 HydrophobicContact CB-CB 4.33Å
148P92.3Very high97.7Very high46 Ų4628.9 Ų28.930%0.29914%0.144SC..THydrogen-bonded Turncis-85.4-5.8-0.437.4-41.8000114.6A150P148-A150 VanDerWaalsContact C-N 3.27Å; P148-A150 PolarHBondContact O-N 3.49Å
149E93.9Very high97.8Very high113 Ų11328.9 Ų28.953%0.52814%0.144SC..THydrogen-bonded Turntrans-64.8-32.1-176.4-7466.8-145.400112.8R59 L146R59-E149 IonicContact CZ-OE1 3.34Å; R59-E149 IonicContact NE-OE1 2.71Å; R59-E149 PolarHBondContact NE-OE1 2.97Å; R59-E149 IonicContact NH2-OE1 3.08Å; R59-E149 PolarHBondContact NH2-OE1 3.14Å; R59-E149 VanDerWaalsContact NH2-OE1 3.08Å; L146-E149 PolarHBondContact O-N 2.8Å
150A96.8Very high97.8Very high4 Ų429.5 Ų29.53%0.03315%0.148CC..SBendtrans-133.9141.1170.600000109.6R145 L146 A147 P148 D154 Q155R145-A150 HydrophobicContact CB-CB 3.42Å; R145-A150 VanDerWaalsContact CB-CB 3.42Å; R145-A150 HydrophobicContact CG-CB 4.33Å; L146-A150 CarbonylContact C-O 3.48Å; L146-A150 PolarHBondContact O-N 3.27Å; A147-A150 WeakPolarHBondContact CA-O 3.31Å; A147-A150 PolarHBondContact N-O 2.76Å; A147-A150 VanDerWaalsContact N-O 3.15Å; P148-A150 VanDerWaalsContact C-N 3.27Å; P148-A150 PolarHBondContact O-N 3.49Å; A150-D154 HydrophobicContact CB-CB 3.79Å; A150-Q155 PolarHBondContact O-NE2 3.33Å
151V98.1Very high97.8Very high46 Ų4632.1 Ų32.128%0.27916%0.164SC..  trans-130.8162.4179.1-61.60000108.9A147 D154 Q155 Q251 Y252A147-V151 HydrophobicContact CB-CG1 4.43Å; V151-D154 VanDerWaalsContact O-CB 3.29Å; V151-D154 WeakPolarHBondContact O-CB 3.49Å; V151-D154 PolarHBondContact O-N 2.89Å; V151-Q155 VanDerWaalsContact CA-OE1 3.31Å; V151-Q155 PolarHBondContact O-OE1 3.14Å; V151-Q251 WeakPolarHBondContact CG1-O 3.23Å; V151-Y252 WeakPolarHBondContact CB-O 3.32Å
152F98.6Very high97.8Very high25 Ų2532.1 Ų32.111%0.1116%0.164CC..THydrogen-bonded Turntrans-48.2130.8179.3174.9-94.4000110.4Y252 L253 D319 R321 A322F152-Y252 HydrophobicContact CB-CD2 4.11Å; F152-Y252 HydrophobicContact CB-CE1 4.27Å; F152-Y252 HydrophobicContact CB-CE2 3.83Å; F152-Y252 HydrophobicContact CB-CG 4.46Å; F152-Y252 VanDerWaalsContact CB-O 3.29Å; F152-Y252 WeakPolarHBondContact CB-O 3.5Å; F152-Y252 HydrophobicContact CD2-CE1 4.16Å; F152-Y252 HydrophobicContact CD2-CE2 4.31Å; F152-Y252 AromaticContact CD2-CZ 3.71Å; F152-Y252 WeakPolarHBondContact CD2-OH 3.47Å; F152-Y252 HydrophobicContact CG-CE1 4.48Å; F152-Y252 PolarHBondContact N-O 3.38Å; F152-L253 HydrophobicContact CB-CD2 4Å; F152-L253 HydrophobicContact CD1-CD2 4.03Å; F152-L253 HydrophobicContact CG-CD2 4.06Å; F152-D319 HydrophobicContact CE1-CB 4.24Å; F152-D319 HydrophobicContact CZ-CB 4.13Å; F152-R321 HydrophobicContact CE2-CB 3.82Å; F152-R321 HydrophobicContact CZ-CB 3.92Å; F152-A322 HydrophobicContact CD1-CB 4.5Å; F152-A322 HydrophobicContact CD2-CB 3.87Å; F152-A322 HydrophobicContact CE1-CB 4.33Å; F152-A322 HydrophobicContact CE2-CB 3.69Å; F152-A322 HydrophobicContact CG-CB 4.28Å; F152-A322 HydrophobicContact CZ-CB 3.93Å
153P98.5Very high97.8Very high43 Ų4332.1 Ų32.128%0.27916%0.164SC..THydrogen-bonded Turncis-95.112.912.137.8-37.1000116.2Q155 Y156 H157P153-Q155 PolarHBondContact O-N 2.81Å; P153-Y156 WeakPolarHBondContact O-CB 3.06Å; P153-Y156 PolarHBondContact O-N 2.91Å; P153-Y156 VanDerWaalsContact O-N 3.15Å; P153-H157 VanDerWaalsContact CG-CE1 3.48Å; P153-H157 WeakPolarHBondContact CG-CE1 3.39Å; P153-H157 PolarHBondContact O-N 2.86Å
154D98.7Very high97.8Very high54 Ų5433.4 Ų33.429%0.28917%0.17SC..Hα-helixtrans-58-46.9-174.1-83.4-36.7000113.9R145 A150 V151 Y156 H157 D158R145-D154 IonicContact CZ-OD1 2.89Å; R145-D154 IonicContact NH1-OD1 2.92Å; R145-D154 PolarHBondContact NH1-OD1 2.75Å; R145-D154 IonicContact NH1-OD2 3.94Å; R145-D154 PolarHBondContact NH1-OD2 3.22Å; R145-D154 PolarHBondContact NH2-O 3.21Å; R145-D154 IonicContact NH2-OD1 3.34Å; R145-D154 PolarHBondContact NH2-OD1 2.92Å; A150-D154 HydrophobicContact CB-CB 3.79Å; V151-D154 VanDerWaalsContact O-CB 3.29Å; V151-D154 WeakPolarHBondContact O-CB 3.49Å; V151-D154 PolarHBondContact O-N 2.89Å; D154-Y156 VanDerWaalsContact C-N 3.29Å; D154-Y156 PolarHBondContact O-N 2.81Å; D154-H157 PolarHBondContact O-N 3.5Å; D154-D158 PolarHBondContact O-N 3.07Å
155Q98.5Very high97.8Very high0 Ų034.3 Ų34.30%018%0.178CC..Hα-helixtrans-64.5-36.5178.6-60.596.5-3600112.2Y144 R145 A150 V151 P153 D158 A159 L193 Y252Y144-Q155 HydrophobicContact CD2-CB 3.99Å; Y144-Q155 HydrophobicContact CD2-CG 4.03Å; Y144-Q155 HydrophobicContact CE2-CG 4.48Å; R145-Q155 WeakPolarHBondContact O-CG 3.31Å; A150-Q155 PolarHBondContact O-NE2 3.33Å; V151-Q155 VanDerWaalsContact CA-OE1 3.31Å; V151-Q155 PolarHBondContact O-OE1 3.14Å; P153-Q155 PolarHBondContact O-N 2.81Å; Q155-D158 PolarHBondContact O-N 2.8Å; Q155-A159 WeakPolarHBondContact O-CB 3.4Å; Q155-A159 PolarHBondContact O-N 3.44Å; Q155-L193 HydrophobicContact CB-CD2 4.47Å; Q155-Y252 HydrophobicContact CB-CE2 4.13Å; Q155-Y252 HydrophobicContact CG-CE2 4.42Å
156Y98.9Very high97.8Very high8 Ų829.3 Ų29.33%0.03116%0.159CC..Hα-helixtrans-65.2-44.8175168.2-97.4000110.6P153 D154 D158 A159 V160 A196 E200 R321P153-Y156 WeakPolarHBondContact O-CB 3.06Å; P153-Y156 PolarHBondContact O-N 2.91Å; P153-Y156 VanDerWaalsContact O-N 3.15Å; D154-Y156 VanDerWaalsContact C-N 3.29Å; D154-Y156 PolarHBondContact O-N 2.81Å; Y156-D158 PolarHBondContact O-N 2.93Å; Y156-A159 WeakPolarHBondContact O-CB 3.3Å; Y156-A159 PolarHBondContact O-N 3.07Å; Y156-V160 HydrophobicContact CD1-CG2 4.31Å; Y156-V160 HydrophobicContact CD2-CG2 4.27Å; Y156-V160 HydrophobicContact CE1-CG2 3.81Å; Y156-V160 HydrophobicContact CE2-CG2 3.77Å; Y156-V160 WeakPolarHBondContact O-CG2 3.35Å; Y156-V160 PolarHBondContact O-N 2.98Å; Y156-A196 HydrophobicContact CD2-CB 3.85Å; Y156-A196 HydrophobicContact CE2-CB 3.75Å; Y156-E200 VanDerWaalsContact OH-CB 3.27Å; Y156-E200 WeakPolarHBondContact OH-CB 3.33Å; Y156-E200 VanDerWaalsContact OH-CD 3.25Å; Y156-E200 VanDerWaalsContact OH-CG 3.26Å; Y156-E200 WeakPolarHBondContact OH-CG 3.39Å; Y156-E200 PolarHBondContact OH-OE2 3.49Å; Y156-R321 HydrophobicContact CD1-CB 4.25Å; Y156-R321 HydrophobicContact CD2-CB 4.07Å; Y156-R321 HydrophobicContact CE1-CB 4.12Å; Y156-R321 HydrophobicContact CE1-CG 3.99Å; Y156-R321 HydrophobicContact CE2-CB 3.92Å; Y156-R321 HydrophobicContact CE2-CG 4.21Å; Y156-R321 HydrophobicContact CG-CB 4.23Å
157H98.9Very high97.9Very high78 Ų7828.7 Ų28.736%0.36116%0.156SC..Hα-helixtrans-62.1-41.4176.2-66.3159.8000112.3P153 D154 A159 V160 V161P153-H157 VanDerWaalsContact CG-CE1 3.48Å; P153-H157 WeakPolarHBondContact CG-CE1 3.39Å; P153-H157 PolarHBondContact O-N 2.86Å; D154-H157 PolarHBondContact O-N 3.5Å; H157-A159 VanDerWaalsContact C-N 3.31Å; H157-A159 PolarHBondContact O-N 3.17Å; H157-V160 PolarHBondContact O-N 3.1Å; H157-V161 WeakPolarHBondContact O-CB 3.17Å; H157-V161 WeakPolarHBondContact O-CG2 3.34Å; H157-V161 PolarHBondContact O-N 3.27Å
158D98.9Very high98Very high17 Ų1730.3 Ų30.39%0.09117%0.167CC..Hα-helixtrans-59.6-44.5174.3-69.1-6.2000110.8V89 R145 D154 Q155 Y156 A162V89-D158 HydrophobicContact CG1-CB 4.18Å; V89-D158 HydrophobicContact CG2-CB 4.02Å; R145-D158 WeakPolarHBondContact CB-OD2 3.46Å; R145-D158 WeakPolarHBondContact CG-OD2 3.25Å; R145-D158 IonicContact CZ-OD1 3.5Å; R145-D158 IonicContact CZ-OD2 2.65Å; R145-D158 PolarHBondContact N-OD2 3.44Å; R145-D158 IonicContact NE-OD1 2.99Å; R145-D158 PolarHBondContact NE-OD1 3.31Å; R145-D158 VanDerWaalsContact NE-OD1 3.09Å; R145-D158 IonicContact NE-OD2 3.12Å; R145-D158 PolarHBondContact NE-OD2 2.84Å; R145-D158 IonicContact NH2-OD1 3.22Å; R145-D158 PolarHBondContact NH2-OD1 2.89Å; R145-D158 IonicContact NH2-OD2 3.73Å; D154-D158 PolarHBondContact O-N 3.07Å; Q155-D158 PolarHBondContact O-N 2.8Å; Y156-D158 PolarHBondContact O-N 2.93Å; D158-A162 WeakPolarHBondContact O-CB 3.25Å; D158-A162 PolarHBondContact O-N 3.11Å
159A98.9Very high98.3Very high0 Ų031.5 Ų31.50%018%0.18CC..Hα-helixtrans-63.1-43.6177.700000112.3F109 Q155 Y156 H157 S163 L193 V197F109-A159 HydrophobicContact CD1-CB 4.3Å; F109-A159 HydrophobicContact CE1-CB 3.71Å; F109-A159 HydrophobicContact CE2-CB 4.33Å; F109-A159 HydrophobicContact CZ-CB 3.73Å; Q155-A159 WeakPolarHBondContact O-CB 3.4Å; Q155-A159 PolarHBondContact O-N 3.44Å; Y156-A159 WeakPolarHBondContact O-CB 3.3Å; Y156-A159 PolarHBondContact O-N 3.07Å; H157-A159 VanDerWaalsContact C-N 3.31Å; H157-A159 PolarHBondContact O-N 3.17Å; A159-S163 VanDerWaalsContact O-CB 3.28Å; A159-S163 WeakPolarHBondContact O-CB 3.25Å; A159-S163 PolarHBondContact O-N 2.84Å; A159-S163 PolarHBondContact O-OG 3.29Å; A159-L193 HydrophobicContact CB-CB 4.15Å; A159-L193 HydrophobicContact CB-CD1 4.46Å; A159-L193 HydrophobicContact CB-CD2 4.2Å; A159-V197 HydrophobicContact CB-CG2 3.72Å
160V98.9Very high98.5Very high13 Ų1332.4 Ų32.48%0.07919%0.185CC..Hα-helixtrans-64.2-50.2177.8169.40000111.3Y156 H157 A162 S163 Q164 V197 E200 L201Y156-V160 HydrophobicContact CD1-CG2 4.31Å; Y156-V160 HydrophobicContact CD2-CG2 4.27Å; Y156-V160 HydrophobicContact CE1-CG2 3.81Å; Y156-V160 HydrophobicContact CE2-CG2 3.77Å; Y156-V160 WeakPolarHBondContact O-CG2 3.35Å; Y156-V160 PolarHBondContact O-N 2.98Å; H157-V160 PolarHBondContact O-N 3.1Å; V160-A162 PolarHBondContact O-N 3.18Å; V160-S163 WeakPolarHBondContact O-CB 3.26Å; V160-S163 PolarHBondContact O-N 3.45Å; V160-S163 VanDerWaalsContact O-N 3.13Å; V160-Q164 HydrophobicContact CG1-CG 4.44Å; V160-Q164 WeakPolarHBondContact O-CG 3.4Å; V160-Q164 PolarHBondContact O-N 3.49Å; V160-V197 HydrophobicContact CG2-CG2 4.15Å; V160-E200 HydrophobicContact CG1-CG 4.45Å; V160-E200 HydrophobicContact CG2-CG 4.2Å; V160-L201 HydrophobicContact CG1-CD2 4.25Å
161V98.8Very high98.5Very high56 Ų5633.1 Ų33.134%0.33919%0.188SC..Hα-helixtrans-65.4-41.2-178169.70000111.3G87 H157 S163 Q164 A165G87-V161 WeakPolarHBondContact O-CG1 3.43Å; H157-V161 WeakPolarHBondContact O-CB 3.17Å; H157-V161 WeakPolarHBondContact O-CG2 3.34Å; H157-V161 PolarHBondContact O-N 3.27Å; V161-S163 VanDerWaalsContact C-N 3.27Å; V161-S163 PolarHBondContact O-N 3.15Å; V161-Q164 PolarHBondContact O-N 2.83Å; V161-A165 WeakPolarHBondContact O-CB 3.3Å; V161-A165 PolarHBondContact O-N 2.87Å
162A98.9Very high98.5Very high0 Ų031.5 Ų31.50%018%0.178CC..Hα-helixtrans-61.9-38.1174.100000111.6L86 V89 V142 D158 V160 F166L86-A162 HydrophobicContact CB-CB 3.95Å; L86-A162 HydrophobicContact CD1-CB 4.45Å; V89-A162 HydrophobicContact CB-CB 4.28Å; V89-A162 HydrophobicContact CG2-CB 4.36Å; V142-A162 HydrophobicContact CG1-CB 3.93Å; V142-A162 HydrophobicContact CG2-CB 4.1Å; D158-A162 WeakPolarHBondContact O-CB 3.25Å; D158-A162 PolarHBondContact O-N 3.11Å; V160-A162 PolarHBondContact O-N 3.18Å; A162-F166 VanDerWaalsContact O-CB 3.29Å; A162-F166 WeakPolarHBondContact O-CB 3.48Å; A162-F166 PolarHBondContact O-N 3.07Å
163S98.9Very high98.4Very high0 Ų037.7 Ų37.70%021%0.207CC..Hα-helixtrans-71-41.2178.7-57.60000113L107 F109 A159 V160 V161 A165 F166 L167 V197L107-S163 WeakPolarHBondContact CD2-OG 3.33Å; F109-S163 WeakPolarHBondContact CZ-OG 3.4Å; A159-S163 VanDerWaalsContact O-CB 3.28Å; A159-S163 WeakPolarHBondContact O-CB 3.25Å; A159-S163 PolarHBondContact O-N 2.84Å; A159-S163 PolarHBondContact O-OG 3.29Å; V160-S163 WeakPolarHBondContact O-CB 3.26Å; V160-S163 PolarHBondContact O-N 3.45Å; V160-S163 VanDerWaalsContact O-N 3.13Å; V161-S163 VanDerWaalsContact C-N 3.27Å; V161-S163 PolarHBondContact O-N 3.15Å; S163-A165 VanDerWaalsContact C-N 3.34Å; S163-A165 PolarHBondContact O-N 2.66Å; S163-F166 WeakPolarHBondContact O-CB 3.44Å; S163-F166 PolarHBondContact O-N 3.01Å; S163-L167 WeakPolarHBondContact O-CG 3.07Å; S163-L167 PolarHBondContact O-N 3.3Å; S163-V197 WeakPolarHBondContact OG-CG1 3.43Å
164Q98.7Very high98.3Very high70 Ų7041.7 Ų41.733%0.32722%0.222SC..Hα-helixtrans-61.1-43.9173.5-72.7172.2-29.900111.1V160 V161 F166 L167 S168 L201V160-Q164 HydrophobicContact CG1-CG 4.44Å; V160-Q164 WeakPolarHBondContact O-CG 3.4Å; V160-Q164 PolarHBondContact O-N 3.49Å; V161-Q164 PolarHBondContact O-N 2.83Å; Q164-F166 VanDerWaalsContact C-N 3.33Å; Q164-F166 PolarHBondContact O-N 2.71Å; Q164-L167 PolarHBondContact O-N 2.65Å; Q164-S168 PolarHBondContact O-N 2.66Å; Q164-L201 HydrophobicContact CG-CD1 4.5Å; Q164-L201 HydrophobicContact CG-CD2 3.85Å
165A98.6Very high98.2Very high21 Ų2140 Ų4017%0.17421%0.211CC..Hα-helixtrans-64.7-37174.600000112.3L86 G87 V161 S163 L167 S168 L171L86-A165 HydrophobicContact CB-CB 4.28Å; L86-A165 HydrophobicContact CD2-CB 4.31Å; G87-A165 VanDerWaalsContact N-CB 3.27Å; V161-A165 WeakPolarHBondContact O-CB 3.3Å; V161-A165 PolarHBondContact O-N 2.87Å; S163-A165 VanDerWaalsContact C-N 3.34Å; S163-A165 PolarHBondContact O-N 2.66Å; A165-L167 VanDerWaalsContact C-N 3.31Å; A165-L167 PolarHBondContact O-N 2.76Å; A165-S168 WeakPolarHBondContact O-CB 3.37Å; A165-S168 PolarHBondContact O-N 2.95Å; A165-L171 WeakPolarHBondContact O-CB 3.27Å
166F98.8Very high98Very high0 Ų043.5 Ų43.50%023%0.23CC..Hα-helixtrans-64.5-33.8176.4-179.5-98.6000113L86 L107 M140 A162 S163 Q164 S168 L171 I177 L182 F211L86-F166 HydrophobicContact CD1-CB 4.33Å; L107-F166 HydrophobicContact CB-CD1 4.04Å; L107-F166 HydrophobicContact CB-CD2 4.32Å; L107-F166 HydrophobicContact CB-CE1 4.18Å; L107-F166 HydrophobicContact CB-CE2 4.45Å; L107-F166 HydrophobicContact CB-CG 4.1Å; L107-F166 HydrophobicContact CB-CZ 4.38Å; L107-F166 HydrophobicContact CD1-CB 4.07Å; L107-F166 HydrophobicContact CD1-CD2 3.97Å; L107-F166 HydrophobicContact CD1-CG 4.02Å; L107-F166 HydrophobicContact CD2-CB 4.18Å; L107-F166 HydrophobicContact CD2-CG 4.37Å; L107-F166 HydrophobicContact CG-CG 4.42Å; M140-F166 HydrophobicContact CB-CD2 4.32Å; M140-F166 HydrophobicContact CB-CE2 4.35Å; M140-F166 HydrophobicContact CG-CD2 4.24Å; M140-F166 HydrophobicContact CG-CE2 4.13Å; M140-F166 HydrophobicContact SD-CD2 3.74Å; M140-F166 HydrophobicContact SD-CE2 4.07Å; A162-F166 VanDerWaalsContact O-CB 3.29Å; A162-F166 WeakPolarHBondContact O-CB 3.48Å; A162-F166 PolarHBondContact O-N 3.07Å; S163-F166 WeakPolarHBondContact O-CB 3.44Å; S163-F166 PolarHBondContact O-N 3.01Å; Q164-F166 VanDerWaalsContact C-N 3.33Å; Q164-F166 PolarHBondContact O-N 2.71Å; F166-S168 VanDerWaalsContact C-N 3.32Å; F166-L171 HydrophobicContact CD2-CD2 3.98Å; F166-L171 WeakPolarHBondContact O-CD2 3.36Å; F166-I177 HydrophobicContact CE2-CD1 4.37Å; F166-L182 HydrophobicContact CE1-CB 4.41Å; F166-L182 HydrophobicContact CE1-CD2 3.88Å; F166-L182 HydrophobicContact CZ-CD2 4.13Å; F166-F211 AromaticContact CD1-CE1 3.64Å; F166-F211 HydrophobicContact CD1-CE1 3.64Å; F166-F211 HydrophobicContact CD1-CZ 4.06Å; F166-F211 AromaticContact CE1-CE1 3.76Å; F166-F211 HydrophobicContact CE1-CE1 3.76Å
167L98.7Very high98Very high8 Ų843.3 Ų43.34%0.04223%0.23CC..THydrogen-bonded Turntrans-86-0.9179.1-63.3177.6000113.4S163 Q164 A165 L182 L201 L207 V209 F211S163-L167 WeakPolarHBondContact O-CG 3.07Å; S163-L167 PolarHBondContact O-N 3.3Å; Q164-L167 PolarHBondContact O-N 2.65Å; A165-L167 VanDerWaalsContact C-N 3.31Å; A165-L167 PolarHBondContact O-N 2.76Å; L167-L182 HydrophobicContact CD2-CB 4.45Å; L167-L182 HydrophobicContact CD2-CD1 3.5Å; L167-L201 HydrophobicContact CD1-CD1 3.73Å; L167-L207 HydrophobicContact CD1-CD1 4.31Å; L167-V209 HydrophobicContact CD2-CG1 4.48Å; L167-F211 HydrophobicContact CD1-CD2 4.19Å; L167-F211 HydrophobicContact CD1-CE2 3.94Å; L167-F211 HydrophobicContact CD1-CZ 4.19Å; L167-F211 HydrophobicContact CD2-CD1 3.91Å; L167-F211 HydrophobicContact CD2-CE1 3.73Å; L167-F211 HydrophobicContact CD2-CE2 4.41Å; L167-F211 HydrophobicContact CD2-CG 4.32Å; L167-F211 HydrophobicContact CD2-CZ 3.99Å; L167-F211 HydrophobicContact CG-CE1 4.33Å; L167-F211 HydrophobicContact CG-CE2 4.34Å; L167-F211 HydrophobicContact CG-CZ 4.08Å
168S98.1Very high97.9Very high35 Ų3541.3 Ų41.325%0.24522%0.222CC..  trans-72.6144.3-174.8108.90000112.1Q164 A165 F166 E170 L171 L172Q164-S168 PolarHBondContact O-N 2.66Å; A165-S168 WeakPolarHBondContact O-CB 3.37Å; A165-S168 PolarHBondContact O-N 2.95Å; F166-S168 VanDerWaalsContact C-N 3.32Å; S168-E170 WeakPolarHBondContact CB-OE2 3.42Å; S168-E170 PolarHBondContact O-N 3.47Å; S168-E170 PolarHBondContact OG-N 3.19Å; S168-E170 PolarHBondContact OG-OE2 3.35Å; S168-L171 PolarHBondContact O-N 3.46Å; S168-L171 VanDerWaalsContact O-N 3.13Å; S168-L171 PolarHBondContact OG-N 3.37Å; S168-L172 VanDerWaalsContact O-CG 3.32Å; S168-L172 WeakPolarHBondContact O-CG 3.35Å; S168-L172 PolarHBondContact O-N 2.66Å
169A97.6Very high97.9Very high70 Ų7042.8 Ų42.858%0.57923%0.232SC*.Hα-helixtrans-58.9-36.1-179.100000112.1Q173A169-Q173 VanDerWaalsContact O-CB 3.27Å; A169-Q173 WeakPolarHBondContact O-CB 3.28Å; A169-Q173 PolarHBondContact O-N 3.48Å
170E97.4Very high97.8Very high133 Ų13349.2 Ų49.262%0.62126%0.262SS*.Hα-helixtrans-63.2-44.6178.1-57.473.7-160.900111S168 Q174S168-E170 WeakPolarHBondContact CB-OE2 3.42Å; S168-E170 PolarHBondContact O-N 3.47Å; S168-E170 PolarHBondContact OG-N 3.19Å; S168-E170 PolarHBondContact OG-OE2 3.35Å; E170-Q174 VanDerWaalsContact O-CB 3.3Å; E170-Q174 WeakPolarHBondContact O-CB 3.34Å; E170-Q174 PolarHBondContact O-N 3.25Å
171L97.8Very high97.8Very high19 Ų1951.3 Ų51.310%0.09927%0.269CS..Hα-helixtrans-71.4-43-179.4-169.1125.7000112L86 M140 A165 F166 S168 Q173 Q174 Y175 I177L86-L171 HydrophobicContact CD2-CD1 3.22Å; L86-L171 HydrophobicContact CD2-CG 4.47Å; M140-L171 HydrophobicContact CE-CD1 4.24Å; M140-L171 HydrophobicContact CE-CD2 3.72Å; M140-L171 HydrophobicContact CE-CG 4.21Å; M140-L171 HydrophobicContact SD-CD1 4.38Å; M140-L171 HydrophobicContact SD-CD2 4.13Å; A165-L171 WeakPolarHBondContact O-CB 3.27Å; F166-L171 HydrophobicContact CD2-CD2 3.98Å; F166-L171 WeakPolarHBondContact O-CD2 3.36Å; S168-L171 PolarHBondContact O-N 3.46Å; S168-L171 VanDerWaalsContact O-N 3.13Å; S168-L171 PolarHBondContact OG-N 3.37Å; L171-Q173 VanDerWaalsContact C-N 3.28Å; L171-Q173 PolarHBondContact O-N 3.2Å; L171-Q174 PolarHBondContact O-N 3.29Å; L171-Y175 HydrophobicContact CD1-CE2 4.39Å; L171-Y175 HydrophobicContact CD2-CD2 4.39Å; L171-Y175 HydrophobicContact CG-CD2 4.03Å; L171-Y175 HydrophobicContact CG-CE2 4.26Å; L171-Y175 WeakPolarHBondContact O-CD2 3.34Å; L171-Y175 PolarHBondContact O-N 3.06Å; L171-I177 HydrophobicContact CD2-CD1 4.42Å
172L97.8Very high97.8Very high12 Ų1248.7 Ų48.76%0.06325%0.253CS..Hα-helixtrans-59.9-41.9176.1-62.6179.1000110.9S168 D176 I177 P179 L182 V209S168-L172 VanDerWaalsContact O-CG 3.32Å; S168-L172 WeakPolarHBondContact O-CG 3.35Å; S168-L172 PolarHBondContact O-N 2.66Å; L172-D176 CarbonylContact O-C 3.51Å; L172-D176 WeakPolarHBondContact O-CA 3.26Å; L172-D176 PolarHBondContact O-N 2.72Å; L172-D176 VanDerWaalsContact O-N 3.11Å; L172-I177 HydrophobicContact CD2-CB 3.78Å; L172-I177 HydrophobicContact CD2-CD1 4.46Å; L172-I177 HydrophobicContact CD2-CG2 3.8Å; L172-I177 PolarHBondContact O-N 2.57Å; L172-P179 HydrophobicContact CD1-CB 3.99Å; L172-L182 HydrophobicContact CD1-CD1 4.33Å; L172-L182 HydrophobicContact CD2-CD1 4.03Å; L172-L182 HydrophobicContact CD2-CD2 3.84Å; L172-V209 HydrophobicContact CD1-CB 4.34Å; L172-V209 HydrophobicContact CD1-CG1 4.02Å; L172-V209 HydrophobicContact CD1-CG2 4.07Å
173Q96.5Very high97.8Very high155 Ų15548.7 Ų48.772%0.72425%0.253SS*.Hα-helixtrans-66.1-43.2174.3-177.2176.655.800112.5A169 L171 Y175 D176A169-Q173 VanDerWaalsContact O-CB 3.27Å; A169-Q173 WeakPolarHBondContact O-CB 3.28Å; A169-Q173 PolarHBondContact O-N 3.48Å; L171-Q173 VanDerWaalsContact C-N 3.28Å; L171-Q173 PolarHBondContact O-N 3.2Å; Q173-Y175 PolarHBondContact O-N 3.15Å; Q173-D176 PolarHBondContact O-N 3.26Å
174Q95.9Very high97.8Very high127 Ų12748.7 Ų48.759%0.59325%0.253SS*.Hα-helixtrans-59.5-34.2-178177-179.2-20.600112.9E170 L171E170-Q174 VanDerWaalsContact O-CB 3.3Å; E170-Q174 WeakPolarHBondContact O-CB 3.34Å; E170-Q174 PolarHBondContact O-N 3.25Å; L171-Q174 PolarHBondContact O-N 3.29Å
175Y96.2Very high97.8Very high17 Ų1745.3 Ų45.37%0.06724%0.237CC..THydrogen-bonded Turntrans-1097.4-174.9-71.9-80.4000113.8V93 V138 M140 L171 Q173 I177V93-Y175 HydrophobicContact CG1-CD1 4.47Å; V93-Y175 HydrophobicContact CG1-CE1 3.77Å; V138-Y175 HydrophobicContact CG1-CD1 4.1Å; V138-Y175 HydrophobicContact CG1-CG 4.3Å; M140-Y175 HydrophobicContact CE-CD1 4.3Å; M140-Y175 HydrophobicContact CE-CD2 3.51Å; M140-Y175 HydrophobicContact CE-CE1 4.27Å; M140-Y175 HydrophobicContact CE-CE2 3.46Å; M140-Y175 VanDerWaalsContact CE-CE2 3.46Å; M140-Y175 HydrophobicContact CE-CG 3.94Å; L171-Y175 HydrophobicContact CD1-CE2 4.39Å; L171-Y175 HydrophobicContact CD2-CD2 4.39Å; L171-Y175 HydrophobicContact CG-CD2 4.03Å; L171-Y175 HydrophobicContact CG-CE2 4.26Å; L171-Y175 WeakPolarHBondContact O-CD2 3.34Å; L171-Y175 PolarHBondContact O-N 3.06Å; Q173-Y175 PolarHBondContact O-N 3.15Å; Y175-I177 VanDerWaalsContact C-N 3.25Å; Y175-I177 PolarHBondContact O-N 2.95Å
176D95.9Very high97.8Very high74 Ų7444.3 Ų44.340%0.39623%0.229SC..THydrogen-bonded Turntrans50.343.2-173.1-49.9-60.1000112.5L102 R103 L172 Q173L102-D176 CarbonylContact C-O 3.56Å; L102-D176 VanDerWaalsContact CA-O 3.3Å; L102-D176 WeakPolarHBondContact CA-O 3.47Å; L102-D176 HydrophobicContact CD2-CB 4.43Å; R103-D176 PolarHBondContact N-O 3.12Å; R103-D176 IonicContact NH1-OD2 3.36Å; R103-D176 PolarHBondContact NH1-OD2 2.79Å; R103-D176 VanDerWaalsContact NH1-OD2 3.14Å; L172-D176 CarbonylContact O-C 3.51Å; L172-D176 WeakPolarHBondContact O-CA 3.26Å; L172-D176 PolarHBondContact O-N 2.72Å; L172-D176 VanDerWaalsContact O-N 3.11Å; Q173-D176 PolarHBondContact O-N 3.26Å
177I97.8Very high97.8Very high4 Ų444.5 Ų44.52%0.02123%0.23CC..EExtended strand (participates in β ladder)trans-87.7132.7-179.7-57173000109.4R103 V138 F166 L171 L172 Y175 L182R103-I177 WeakPolarHBondContact O-CA 3.35Å; V138-I177 HydrophobicContact CB-CD1 3.79Å; V138-I177 HydrophobicContact CB-CG1 4Å; V138-I177 HydrophobicContact CG1-CD1 3.98Å; V138-I177 HydrophobicContact CG2-CD1 4.29Å; V138-I177 HydrophobicContact CG2-CG1 4Å; F166-I177 HydrophobicContact CE2-CD1 4.37Å; L171-I177 HydrophobicContact CD2-CD1 4.42Å; L172-I177 HydrophobicContact CD2-CB 3.78Å; L172-I177 HydrophobicContact CD2-CD1 4.46Å; L172-I177 HydrophobicContact CD2-CG2 3.8Å; L172-I177 PolarHBondContact O-N 2.57Å; Y175-I177 VanDerWaalsContact C-N 3.25Å; Y175-I177 PolarHBondContact O-N 2.95Å; I177-L182 HydrophobicContact CG2-CD2 3.31Å
178D97.5Very high97.8Very high37 Ų3744.5 Ų44.520%0.19823%0.231CC..EExtended strand (participates in β ladder)trans-71.4120.6174.3-170.1-22.8000110.4L102 R103 E180 R181L102-D178 HydrophobicContact CB-CB 4.11Å; R103-D178 PolarHBondContact O-N 3.19Å; D178-E180 PolarHBondContact O-N 3.29Å; D178-E180 VanDerWaalsContact O-N 3.11Å; D178-E180 WeakPolarHBondContact OD1-CB 3.19Å; D178-E180 PolarHBondContact OD1-N 2.98Å; D178-R181 HydrophobicContact CB-CB 4.05Å; D178-R181 HydrophobicContact CB-CG 3.8Å; D178-R181 PolarHBondContact O-N 2.89Å; D178-R181 VanDerWaalsContact O-N 3.08Å; D178-R181 WeakPolarHBondContact OD2-CD 3.3Å
179P97.7Very high97.8Very high48 Ų4842.9 Ų42.931%0.31222%0.219SC..EExtended strand (participates in β ladder)trans-59.1-22.2178.324.1-34.1000113.5L172 R181 L182 V209L172-P179 HydrophobicContact CD1-CB 3.99Å; P179-R181 VanDerWaalsContact C-N 3.34Å; P179-L182 WeakPolarHBondContact O-CD1 3.45Å; P179-V209 HydrophobicContact CB-CB 4.48Å; P179-V209 HydrophobicContact CB-CG1 3.73Å; P179-V209 HydrophobicContact CB-CG2 3.84Å; P179-V209 WeakPolarHBondContact O-CG1 3.36Å
180E97.5Very high97.9Very high135 Ų13539.5 Ų39.563%0.63119%0.191SC*.EExtended strand (participates in β ladder)trans-91.611.3-179.8-61.1-61.2139.700113.1D178 K212D178-E180 PolarHBondContact O-N 3.29Å; D178-E180 VanDerWaalsContact O-N 3.11Å; D178-E180 WeakPolarHBondContact OD1-CB 3.19Å; D178-E180 PolarHBondContact OD1-N 2.98Å; E180-K212 WeakPolarHBondContact O-CD 3.21Å; E180-K212 PolarHBondContact O-NZ 3.15Å
181R98.1Very high98Very high57 Ų5733.2 Ų33.222%0.21516%0.162CC..EExtended strand (participates in β ladder)trans-139.146.1-173.2-50.4-177.674.8-174.88.3112.6R104 G105 D178 P179 L406R104-R181 HydrophobicContact CB-CB 4.47Å; R104-R181 HydrophobicContact CG-CB 4.18Å; G105-R181 PolarHBondContact N-O 3.38Å; D178-R181 HydrophobicContact CB-CB 4.05Å; D178-R181 HydrophobicContact CB-CG 3.8Å; D178-R181 PolarHBondContact O-N 2.89Å; D178-R181 VanDerWaalsContact O-N 3.08Å; D178-R181 WeakPolarHBondContact OD2-CD 3.3Å; P179-R181 VanDerWaalsContact C-N 3.34Å; R181-L406 HydrophobicContact CB-CB 4.4Å; R181-L406 VanDerWaalsContact CG-O 3.32Å; R181-L406 WeakPolarHBondContact CG-O 3.42Å; R181-L406 VanDerWaalsContact NE-C 3.3Å; R181-L406 PolarHBondContact NE-O 2.96Å; R181-L406 PolarHBondContact NE-OXT 3.33Å; R181-L406 PolarHBondContact NH2-OXT 3.27Å
182L98.8Very high98Very high0 Ų032.3 Ų32.30%016%0.157CC..EExtended strand (participates in β ladder)trans-109131.7-174.5-56.7176.5000112.3G105 F166 L167 L172 I177 P179 V209 F211 K212 A213G105-L182 CarbonylContact O-C 3.5Å; G105-L182 WeakPolarHBondContact O-CA 3.46Å; F166-L182 HydrophobicContact CE1-CB 4.41Å; F166-L182 HydrophobicContact CE1-CD2 3.88Å; F166-L182 HydrophobicContact CZ-CD2 4.13Å; L167-L182 HydrophobicContact CD2-CB 4.45Å; L167-L182 HydrophobicContact CD2-CD1 3.5Å; L172-L182 HydrophobicContact CD1-CD1 4.33Å; L172-L182 HydrophobicContact CD2-CD1 4.03Å; L172-L182 HydrophobicContact CD2-CD2 3.84Å; I177-L182 HydrophobicContact CG2-CD2 3.31Å; P179-L182 WeakPolarHBondContact O-CD1 3.45Å; L182-V209 HydrophobicContact CD1-CG1 3.43Å; L182-V209 VanDerWaalsContact CD1-CG1 3.43Å; L182-F211 HydrophobicContact CB-CD1 4.01Å; L182-K212 PolarHBondContact O-N 3.41Å; L182-A213 PolarHBondContact O-N 3.44Å
183C98.9Very high98.1Very high0 Ų031.7 Ų31.70%015%0.154CC..EExtended strand (participates in β ladder)trans-121.7139.8173.1-1700000111.4G105 V106 L107 A213 L402 L406G105-C183 PolarHBondContact O-N 2.75Å; V106-C183 WeakPolarHBondContact CA-O 3.46Å; V106-C183 HydrophobicContact CG1-CB 4.33Å; V106-C183 HydrophobicContact CG2-CB 4.25Å; L107-C183 PolarHBondContact N-O 3.03Å; C183-A213 VanDerWaalsContact CA-O 3.31Å; C183-A213 WeakPolarHBondContact CA-O 3.4Å; C183-A213 HydrophobicContact CB-CB 4.28Å; C183-A213 PolarHBondContact SG-O 2.84Å; C183-L402 HydrophobicContact CB-CD2 4.12Å; C183-L406 HydrophobicContact CB-CD1 3.84Å; C183-L406 HydrophobicContact CB-CD2 4.04Å; C183-L406 HydrophobicContact CB-CG 4.42Å
184V98.9Very high98.2Very high0 Ų024.3 Ų24.30%012%0.119CC..EExtended strand (participates in β ladder)trans-99.2135.2159.662.40000109.1F109 A194 V197 A198 F211 A213 Q214 A215F109-V184 HydrophobicContact CD2-CG2 4.12Å; F109-V184 HydrophobicContact CE2-CG2 3.57Å; V184-A194 HydrophobicContact CG2-CB 3.98Å; V184-V197 HydrophobicContact CG2-CG1 4.26Å; V184-A198 HydrophobicContact CG1-CB 4.14Å; V184-F211 HydrophobicContact CB-CD1 4Å; V184-F211 HydrophobicContact CB-CD2 3.91Å; V184-F211 HydrophobicContact CB-CE1 3.87Å; V184-F211 HydrophobicContact CB-CE2 3.76Å; V184-F211 HydrophobicContact CB-CG 4.03Å; V184-F211 HydrophobicContact CB-CZ 3.76Å; V184-F211 HydrophobicContact CG1-CB 4.47Å; V184-F211 HydrophobicContact CG1-CD1 4.44Å; V184-F211 HydrophobicContact CG1-CD2 3.83Å; V184-F211 HydrophobicContact CG1-CE2 4.13Å; V184-F211 HydrophobicContact CG1-CG 4.01Å; V184-F211 HydrophobicContact CG2-CE2 4.33Å; V184-F211 HydrophobicContact CG2-CZ 4.32Å; V184-A213 PolarHBondContact N-O 2.96Å; V184-A213 VanDerWaalsContact N-O 3.1Å; V184-Q214 HydrophobicContact CG1-CB 3.96Å; V184-Q214 CarbonylContact O-C 3.35Å; V184-Q214 VanDerWaalsContact O-CA 3.27Å; V184-Q214 WeakPolarHBondContact O-CA 3.31Å; V184-A215 PolarHBondContact O-N 2.86Å
185S98.9Very high98.3Very high0 Ų018.3 Ų18.30%09%0.091CC..EExtended strand (participates in β ladder)trans-145.6156.5-172.9-173.90000111.9L107 Y108 F109 A215 Y398L107-S185 PolarHBondContact O-N 3.16Å; Y108-S185 CarbonylContact C-O 3.59Å; Y108-S185 WeakPolarHBondContact CA-O 3.26Å; F109-S185 PolarHBondContact N-O 2.91Å; S185-A215 VanDerWaalsContact CA-O 3.25Å; S185-A215 WeakPolarHBondContact CA-O 3.38Å; S185-A215 PolarHBondContact OG-O 3.2Å; S185-Y398 WeakPolarHBondContact CB-OH 3.15Å; S185-Y398 PolarHBondContact OG-OH 2.92Å
186G98.8Very high98.5Very high0 Ų017.6 Ų17.60%09%0.089CC..EExtended strand (participates in β ladder)trans179.8163.7170.900000112.8F109 G191 A215 I217F109-G186 WeakPolarHBondContact O-CA 3.25Å; G186-G191 VanDerWaalsContact O-CA 3.24Å; G186-G191 WeakPolarHBondContact O-CA 3.32Å; G186-G191 PolarHBondContact O-N 3.31Å; G186-A215 PolarHBondContact N-O 2.77Å; G186-A215 VanDerWaalsContact N-O 3.14Å; G186-I217 VanDerWaalsContact O-CD1 3.22Å; G186-I217 WeakPolarHBondContact O-CD1 3.43Å; G186-I217 PolarHBondContact O-N 3.29Å
187D98.8Very high98.6Very high4 Ų414 Ų142%0.0217%0.07CC..EExtended strand (participates in β ladder)trans-116143.3-177.875.9-71.3000112.7Y108 F109 G111 Y124 A189 G190 G191 I217 Y218 M379Y108-D187 WeakPolarHBondContact OH-CB 3.38Å; Y108-D187 PolarHBondContact OH-OD1 3.32Å; F109-D187 PolarHBondContact O-N 2.87Å; G111-D187 WeakPolarHBondContact CA-O 3.12Å; G111-D187 PolarHBondContact N-O 3.49Å; G111-D187 PolarHBondContact N-OD1 2.86Å; Y124-D187 WeakPolarHBondContact CE1-OD1 3.46Å; Y124-D187 PolarHBondContact OH-OD1 3.43Å; Y124-D187 PolarHBondContact OH-OD2 3.2Å; D187-A189 PolarHBondContact O-N 3.02Å; D187-A189 VanDerWaalsContact O-N 3.15Å; D187-G190 WeakPolarHBondContact O-CA 3.28Å; D187-G190 PolarHBondContact O-N 3.49Å; D187-G191 PolarHBondContact O-N 3.13Å; D187-I217 CarbonylContact C-O 3.56Å; D187-I217 VanDerWaalsContact CA-O 3.26Å; D187-I217 WeakPolarHBondContact CA-O 3.34Å; D187-I217 HydrophobicContact CB-CB 3.77Å; D187-I217 HydrophobicContact CB-CG2 4.05Å; D187-Y218 HydrophobicContact CB-CD2 4.4Å; D187-Y218 HydrophobicContact CB-CE2 3.57Å; D187-Y218 PolarHBondContact OD2-OH 3.4Å; D187-M379 HydrophobicContact CB-CE 4.24Å
188S98.7Very high98.7Very high8 Ų813.9 Ų13.96%0.0567%0.069CC..THydrogen-bonded Turntrans54.5-118.5179.9-174.90000111.5G190 G191 N192 I217 Y218 V220 H376S188-G190 VanDerWaalsContact C-N 3.28Å; S188-G190 PolarHBondContact O-N 3.01Å; S188-G191 WeakPolarHBondContact O-CA 3.45Å; S188-G191 PolarHBondContact O-N 3.03Å; S188-N192 PolarHBondContact O-N 3.14Å; S188-N192 VanDerWaalsContact O-N 3.09Å; S188-I217 PolarHBondContact N-O 3.22Å; S188-Y218 WeakPolarHBondContact CA-O 3.11Å; S188-V220 PolarHBondContact O-N 3.46Å; S188-H376 WeakPolarHBondContact CB-NE2 3.41Å; S188-H376 PolarHBondContact OG-CE1 3.06Å; S188-H376 PolarHBondContact OG-NE2 2.91Å
189A98.8Very high98.7Very high0 Ų012.5 Ų12.50%06%0.062CC..Hα-helixtrans-61-29.6171.600000114.1W114 D187 G191 N192 L193W114-A189 HydrophobicContact CD2-CB 3.64Å; W114-A189 HydrophobicContact CE3-CB 4.21Å; W114-A189 HydrophobicContact CG-CB 3.89Å; W114-A189 HydrophobicContact CZ2-CB 4.09Å; W114-A189 PolarHBondContact NE1-O 2.92Å; D187-A189 PolarHBondContact O-N 3.02Å; D187-A189 VanDerWaalsContact O-N 3.15Å; A189-G191 VanDerWaalsContact C-N 3.34Å; A189-N192 VanDerWaalsContact O-CB 3.25Å; A189-N192 WeakPolarHBondContact O-CB 3.17Å; A189-N192 PolarHBondContact O-N 3.07Å; A189-L193 PolarHBondContact O-N 2.79Å
190G98.9Very high98.8Very high0 Ų014 Ų140%07%0.065CC..Hα-helixtrans-70.8-32.9170.800000112.1F109 H110 D187 S188 N192 L193 A194F109-G190 WeakPolarHBondContact O-CA 3.5Å; H110-G190 WeakPolarHBondContact O-CA 3.09Å; H110-G190 PolarHBondContact O-N 3.48Å; D187-G190 WeakPolarHBondContact O-CA 3.28Å; D187-G190 PolarHBondContact O-N 3.49Å; S188-G190 VanDerWaalsContact C-N 3.28Å; S188-G190 PolarHBondContact O-N 3.01Å; G190-N192 VanDerWaalsContact C-N 3.29Å; G190-N192 PolarHBondContact O-N 3.46Å; G190-L193 PolarHBondContact O-N 3.35Å; G190-A194 WeakPolarHBondContact O-CB 3.43Å; G190-A194 PolarHBondContact O-N 3.09Å
191G98.9Very high98.8Very high0 Ų07.8 Ų7.80%04%0.036CC..Hα-helixtrans-65.8-32.8171.400000112.4G186 D187 S188 A189 A195G186-G191 VanDerWaalsContact O-CA 3.24Å; G186-G191 WeakPolarHBondContact O-CA 3.32Å; G186-G191 PolarHBondContact O-N 3.31Å; D187-G191 PolarHBondContact O-N 3.13Å; S188-G191 WeakPolarHBondContact O-CA 3.45Å; S188-G191 PolarHBondContact O-N 3.03Å; A189-G191 VanDerWaalsContact C-N 3.34Å; G191-A195 WeakPolarHBondContact O-CB 3.31Å; G191-A195 PolarHBondContact O-N 3.14Å
192N98.9Very high98.7Very high0 Ų06.1 Ų6.10%03%0.033CC..Hα-helixtrans-60-53.1168.6-179.6-90.7000111.6W114 S188 A189 G190 A194 A195 A196 V220 A322 P324W114-N192 HydrophobicContact CZ2-CB 3.65Å; S188-N192 PolarHBondContact O-N 3.14Å; S188-N192 VanDerWaalsContact O-N 3.09Å; A189-N192 VanDerWaalsContact O-CB 3.25Å; A189-N192 WeakPolarHBondContact O-CB 3.17Å; A189-N192 PolarHBondContact O-N 3.07Å; G190-N192 VanDerWaalsContact C-N 3.29Å; G190-N192 PolarHBondContact O-N 3.46Å; N192-A194 VanDerWaalsContact C-N 3.32Å; N192-A194 PolarHBondContact O-N 3.34Å; N192-A195 PolarHBondContact O-N 2.85Å; N192-A196 WeakPolarHBondContact O-CB 3.46Å; N192-A196 PolarHBondContact O-N 3.08Å; N192-V220 WeakPolarHBondContact CB-O 3.39Å; N192-V220 PolarHBondContact ND2-O 3.42Å; N192-A322 PolarHBondContact ND2-O 2.96Å; N192-A322 PolarHBondContact OD1-O 2.78Å; N192-P324 WeakPolarHBondContact ND2-CD 3.41Å
193L98.9Very high98.6Very high0 Ų09.6 Ų9.60%05%0.051CC..Hα-helixtrans-60.5-42.1179.6-66.7173.7000111.5F109 Y144 Q155 A159 A189 G190 A195 A196 V197F109-L193 HydrophobicContact CB-CB 4.34Å; F109-L193 HydrophobicContact CD2-CB 4.16Å; F109-L193 HydrophobicContact CG-CB 4.17Å; Y144-L193 HydrophobicContact CD1-CD1 3.86Å; Y144-L193 HydrophobicContact CD2-CD1 3.86Å; Y144-L193 HydrophobicContact CE1-CD1 3.69Å; Y144-L193 HydrophobicContact CE2-CD1 3.71Å; Y144-L193 HydrophobicContact CG-CD1 3.95Å; Q155-L193 HydrophobicContact CB-CD2 4.47Å; A159-L193 HydrophobicContact CB-CB 4.15Å; A159-L193 HydrophobicContact CB-CD1 4.46Å; A159-L193 HydrophobicContact CB-CD2 4.2Å; A189-L193 PolarHBondContact O-N 2.79Å; G190-L193 PolarHBondContact O-N 3.35Å; L193-A195 PolarHBondContact O-N 3.13Å; L193-A196 PolarHBondContact O-N 3.49Å; L193-V197 WeakPolarHBondContact O-CB 3.48Å; L193-V197 VanDerWaalsContact O-CG2 3.3Å; L193-V197 WeakPolarHBondContact O-CG2 3.26Å; L193-V197 PolarHBondContact O-N 2.85Å
194A98.9Very high98.5Very high0 Ų011.7 Ų11.70%06%0.062CC..Hα-helixtrans-59.9-44.7176.400000112.2F109 V184 G190 N192 A198 L216F109-A194 HydrophobicContact CD2-CB 4.1Å; V184-A194 HydrophobicContact CG2-CB 3.98Å; G190-A194 WeakPolarHBondContact O-CB 3.43Å; G190-A194 PolarHBondContact O-N 3.09Å; N192-A194 VanDerWaalsContact C-N 3.32Å; N192-A194 PolarHBondContact O-N 3.34Å; A194-A198 VanDerWaalsContact O-CB 3.29Å; A194-A198 WeakPolarHBondContact O-CB 3.44Å; A194-A198 PolarHBondContact O-N 3.23Å; A194-L216 HydrophobicContact CB-CD2 3.79Å
195A98.9Very high98.3Very high0 Ų018.2 Ų18.20%010%0.097CC..Hα-helixtrans-65.4-43.617600000111.9G191 N192 L193 A198 Q199 L216 L221 P324 Y355G191-A195 WeakPolarHBondContact O-CB 3.31Å; G191-A195 PolarHBondContact O-N 3.14Å; N192-A195 PolarHBondContact O-N 2.85Å; L193-A195 PolarHBondContact O-N 3.13Å; A195-A198 PolarHBondContact O-N 3.06Å; A195-Q199 WeakPolarHBondContact O-CG 3.37Å; A195-Q199 PolarHBondContact O-N 3.48Å; A195-L216 HydrophobicContact CB-CD1 4Å; A195-L216 HydrophobicContact CB-CD2 4.04Å; A195-L221 HydrophobicContact CB-CD2 3.87Å; A195-P324 HydrophobicContact CB-CB 3.94Å; A195-P324 HydrophobicContact CB-CG 4.13Å; A195-Y355 HydrophobicContact CB-CE1 4.2Å
196A98.9Very high98.1Very high2 Ų222.2 Ų22.22%0.01713%0.125CC..Hα-helixtrans-62.6-45.5178.800000111.8Y156 N192 L193 Q199 E200 P324Y156-A196 HydrophobicContact CD2-CB 3.85Å; Y156-A196 HydrophobicContact CE2-CB 3.75Å; N192-A196 WeakPolarHBondContact O-CB 3.46Å; N192-A196 PolarHBondContact O-N 3.08Å; L193-A196 PolarHBondContact O-N 3.49Å; A196-Q199 PolarHBondContact O-N 3.21Å; A196-E200 PolarHBondContact O-N 3.36Å; A196-P324 HydrophobicContact CB-CG 3.88Å
197V98.9Very high97.9Very high0 Ų023.8 Ų23.80%013%0.133CC..Hα-helixtrans-62.1-44.8174.6163.20000111.2F109 A159 V160 S163 V184 L193 Q199 E200 L201 F211F109-V197 HydrophobicContact CE2-CG2 4.21Å; F109-V197 HydrophobicContact CZ-CG2 4.33Å; A159-V197 HydrophobicContact CB-CG2 3.72Å; V160-V197 HydrophobicContact CG2-CG2 4.15Å; S163-V197 WeakPolarHBondContact OG-CG1 3.43Å; V184-V197 HydrophobicContact CG2-CG1 4.26Å; L193-V197 WeakPolarHBondContact O-CB 3.48Å; L193-V197 VanDerWaalsContact O-CG2 3.3Å; L193-V197 WeakPolarHBondContact O-CG2 3.26Å; L193-V197 PolarHBondContact O-N 2.85Å; V197-Q199 PolarHBondContact O-N 3.27Å; V197-E200 PolarHBondContact O-N 3.09Å; V197-L201 HydrophobicContact CG1-CD1 3.94Å; V197-L201 HydrophobicContact CG1-CG 4.06Å; V197-L201 WeakPolarHBondContact O-CB 3.02Å; V197-L201 WeakPolarHBondContact O-CG 3.37Å; V197-L201 PolarHBondContact O-N 2.87Å; V197-F211 HydrophobicContact CG1-CE2 3.95Å
198A98.8Very high97.7Very high1 Ų132 Ų321%0.00817%0.171CC..Hα-helixtrans-59-40.2179.100000111V184 A194 A195 S202 Q214V184-A198 HydrophobicContact CG1-CB 4.14Å; A194-A198 VanDerWaalsContact O-CB 3.29Å; A194-A198 WeakPolarHBondContact O-CB 3.44Å; A194-A198 PolarHBondContact O-N 3.23Å; A195-A198 PolarHBondContact O-N 3.06Å; A198-S202 WeakPolarHBondContact O-CB 3.08Å; A198-S202 PolarHBondContact O-N 2.63Å; A198-S202 PolarHBondContact O-OG 2.88Å; A198-Q214 HydrophobicContact CB-CB 4.26Å
199Q98.8Very high97.6Very high8 Ų833 Ų334%0.03718%0.177CC..Hα-helixtrans-65-53174.3-68.4174.810.300112A195 A196 V197 S202 L203 P324 A327 V331 T335 Y355A195-Q199 WeakPolarHBondContact O-CG 3.37Å; A195-Q199 PolarHBondContact O-N 3.48Å; A196-Q199 PolarHBondContact O-N 3.21Å; V197-Q199 PolarHBondContact O-N 3.27Å; Q199-S202 PolarHBondContact O-N 3.41Å; Q199-L203 WeakPolarHBondContact O-CG 3.46Å; Q199-L203 PolarHBondContact O-N 3.41Å; Q199-P324 PolarHBondContact NE2-O 2.84Å; Q199-A327 VanDerWaalsContact OE1-CB 3.3Å; Q199-V331 HydrophobicContact CB-CG1 3.9Å; Q199-V331 HydrophobicContact CG-CG1 4.13Å; Q199-T335 HydrophobicContact CB-CG2 4.42Å; Q199-T335 HydrophobicContact CG-CG2 3.83Å; Q199-Y355 PolarHBondContact NE2-OH 3.41Å
200E98.6Very high97.5Very high80 Ų8036.1 Ų36.137%0.37419%0.19SC..Hα-helixtrans-57.5-54.4-178.2-178.367.4-169.700111.9Y156 V160 A196 V197 S202 L203 D204Y156-E200 VanDerWaalsContact OH-CB 3.27Å; Y156-E200 WeakPolarHBondContact OH-CB 3.33Å; Y156-E200 VanDerWaalsContact OH-CD 3.25Å; Y156-E200 VanDerWaalsContact OH-CG 3.26Å; Y156-E200 WeakPolarHBondContact OH-CG 3.39Å; Y156-E200 PolarHBondContact OH-OE2 3.49Å; V160-E200 HydrophobicContact CG1-CG 4.45Å; V160-E200 HydrophobicContact CG2-CG 4.2Å; A196-E200 PolarHBondContact O-N 3.36Å; V197-E200 PolarHBondContact O-N 3.09Å; E200-S202 VanDerWaalsContact C-N 3.26Å; E200-S202 PolarHBondContact O-N 3.02Å; E200-L203 WeakPolarHBondContact O-CB 3.33Å; E200-L203 PolarHBondContact O-N 2.85Å; E200-D204 PolarHBondContact O-N 3.47Å
201L98.4Very high97.5Very high4 Ų436.9 Ų36.92%0.02119%0.194CC..Hα-helixtrans-73.2-20.4-173.8-58.8-163.1000112.6V160 Q164 L167 V197 L203 D204 L207 K210 F211V160-L201 HydrophobicContact CG1-CD2 4.25Å; Q164-L201 HydrophobicContact CG-CD1 4.5Å; Q164-L201 HydrophobicContact CG-CD2 3.85Å; L167-L201 HydrophobicContact CD1-CD1 3.73Å; V197-L201 HydrophobicContact CG1-CD1 3.94Å; V197-L201 HydrophobicContact CG1-CG 4.06Å; V197-L201 WeakPolarHBondContact O-CB 3.02Å; V197-L201 WeakPolarHBondContact O-CG 3.37Å; V197-L201 PolarHBondContact O-N 2.87Å; L201-L203 VanDerWaalsContact C-N 3.26Å; L201-D204 PolarHBondContact O-N 3.38Å; L201-L207 HydrophobicContact CB-CD1 3.81Å; L201-L207 HydrophobicContact CD1-CD1 4.25Å; L201-L207 HydrophobicContact CD2-CD1 4.06Å; L201-L207 HydrophobicContact CG-CD1 4.25Å; L201-K210 PolarHBondContact O-NZ 3.3Å; L201-F211 HydrophobicContact CD1-CE2 3.94Å
202S96.7Very high97.5Very high22 Ų2240.8 Ų40.815%0.15421%0.211CC..Hα-helixtrans-73.3-20.6172.6-610000112.6A198 Q199 E200 K334A198-S202 WeakPolarHBondContact O-CB 3.08Å; A198-S202 PolarHBondContact O-N 2.63Å; A198-S202 PolarHBondContact O-OG 2.88Å; Q199-S202 PolarHBondContact O-N 3.41Å; E200-S202 VanDerWaalsContact C-N 3.26Å; E200-S202 PolarHBondContact O-N 3.02Å; S202-K334 WeakPolarHBondContact CB-O 3.35Å; S202-K334 PolarHBondContact OG-O 2.97Å
203L96.7Very high97.5Very high72 Ų7240.8 Ų40.838%0.37721%0.211SC..Hα-helixtrans-87.4-17.3175.2-63.3174.8000113.4Q199 E200 L201 D205 V331 K334Q199-L203 WeakPolarHBondContact O-CG 3.46Å; Q199-L203 PolarHBondContact O-N 3.41Å; E200-L203 WeakPolarHBondContact O-CB 3.33Å; E200-L203 PolarHBondContact O-N 2.85Å; L201-L203 VanDerWaalsContact C-N 3.26Å; L203-D205 PolarHBondContact O-N 2.89Å; L203-V331 HydrophobicContact CD1-CG1 3.94Å; L203-V331 HydrophobicContact CD1-CG2 4.08Å; L203-V331 HydrophobicContact CD2-CG1 4.4Å; L203-V331 HydrophobicContact CD2-CG2 4.23Å; L203-V331 HydrophobicContact CG-CG1 4.28Å; L203-K334 HydrophobicContact CD2-CD 3.66Å
204D96.5Very high97.5Very high44 Ų4440.8 Ų40.824%0.23521%0.211CC..  trans-83.787-176.9-174.8-6.5000112.3E200 L201 S206 L207 K210E200-D204 PolarHBondContact O-N 3.47Å; L201-D204 PolarHBondContact O-N 3.38Å; D204-S206 PolarHBondContact O-N 3.33Å; D204-S206 VanDerWaalsContact OD1-CB 3.26Å; D204-S206 WeakPolarHBondContact OD1-CB 3.48Å; D204-S206 PolarHBondContact OD1-N 2.87Å; D204-S206 PolarHBondContact OD1-OG 3.26Å; D204-S206 PolarHBondContact OD2-OG 2.81Å; D204-L207 HydrophobicContact CB-CD1 4.1Å; D204-L207 HydrophobicContact CB-CG 4.15Å; D204-L207 PolarHBondContact O-N 2.67Å; D204-L207 VanDerWaalsContact O-N 3.14Å; D204-K210 PolarHBondContact O-NZ 3.35Å
205D93.8Very high97.5Very high138 Ų13840.8 Ų40.874%0.73821%0.211SC*.THydrogen-bonded Turntrans-61.2-8.3180-65.7-32.2000114.4L203L203-D205 PolarHBondContact O-N 2.89Å
206S95.5Very high97.5Very high83 Ų8340.8 Ų40.858%0.5821%0.211SC*.THydrogen-bonded Turntrans-77.2-24.8175.779.10000113.3D204 Q208D204-S206 PolarHBondContact O-N 3.33Å; D204-S206 VanDerWaalsContact OD1-CB 3.26Å; D204-S206 WeakPolarHBondContact OD1-CB 3.48Å; D204-S206 PolarHBondContact OD1-N 2.87Å; D204-S206 PolarHBondContact OD1-OG 3.26Å; D204-S206 PolarHBondContact OD2-OG 2.81Å; S206-Q208 PolarHBondContact O-N 3.38Å; S206-Q208 PolarHBondContact O-NE2 3.07Å; S206-Q208 VanDerWaalsContact O-NE2 3.08Å
207L94.8Very high97.5Very high34 Ų3440.7 Ų40.718%0.17821%0.21CC..  trans-69.8120.4179.2-64.8177.5000111L167 L201 D204 K210L167-L207 HydrophobicContact CD1-CD1 4.31Å; L201-L207 HydrophobicContact CB-CD1 3.81Å; L201-L207 HydrophobicContact CD1-CD1 4.25Å; L201-L207 HydrophobicContact CD2-CD1 4.06Å; L201-L207 HydrophobicContact CG-CD1 4.25Å; D204-L207 HydrophobicContact CB-CD1 4.1Å; D204-L207 HydrophobicContact CB-CG 4.15Å; D204-L207 PolarHBondContact O-N 2.67Å; D204-L207 VanDerWaalsContact O-N 3.14Å; L207-K210 HydrophobicContact CB-CD 4.18Å; L207-K210 WeakPolarHBondContact O-CE 3.39Å
208Q93.6Very high97.5Very high175 Ų17540.8 Ų40.882%0.81821%0.21SC*.SBendtrans-74.7-28178.5-59.2-55.2-6300112.9S206S206-Q208 PolarHBondContact O-N 3.38Å; S206-Q208 PolarHBondContact O-NE2 3.07Å; S206-Q208 VanDerWaalsContact O-NE2 3.08Å
209V97.4Very high97.5Very high29 Ų2940.7 Ų40.718%0.17621%0.21CC..SBendtrans-121139.8179.1-177.90000108.4L167 L172 P179 L182L167-V209 HydrophobicContact CD2-CG1 4.48Å; L172-V209 HydrophobicContact CD1-CB 4.34Å; L172-V209 HydrophobicContact CD1-CG1 4.02Å; L172-V209 HydrophobicContact CD1-CG2 4.07Å; P179-V209 HydrophobicContact CB-CB 4.48Å; P179-V209 HydrophobicContact CB-CG1 3.73Å; P179-V209 HydrophobicContact CB-CG2 3.84Å; P179-V209 WeakPolarHBondContact O-CG1 3.36Å; L182-V209 HydrophobicContact CD1-CG1 3.43Å; L182-V209 VanDerWaalsContact CD1-CG1 3.43Å
210K97.1Very high97.5Very high66 Ų6640.3 Ų40.329%0.28721%0.208SC..  trans-125.1160.4-178.6-59.9-72.6-179.9157.40109.8L201 D204 L207 K212L201-K210 PolarHBondContact O-NZ 3.3Å; D204-K210 PolarHBondContact O-NZ 3.35Å; L207-K210 HydrophobicContact CB-CD 4.18Å; L207-K210 WeakPolarHBondContact O-CE 3.39Å; K210-K212 PolarHBondContact O-N 2.78Å
211F98.7Very high97.5Very high16 Ų1636.5 Ų36.57%0.0719%0.19CC..  trans-64.7136.3167.4-67.7-64.7000110.1L107 F166 L167 L182 V184 V197 L201 P336L107-F211 HydrophobicContact CB-CE1 4.45Å; L107-F211 HydrophobicContact CD2-CZ 4.14Å; F166-F211 AromaticContact CD1-CE1 3.64Å; F166-F211 HydrophobicContact CD1-CE1 3.64Å; F166-F211 HydrophobicContact CD1-CZ 4.06Å; F166-F211 AromaticContact CE1-CE1 3.76Å; F166-F211 HydrophobicContact CE1-CE1 3.76Å; L167-F211 HydrophobicContact CD1-CD2 4.19Å; L167-F211 HydrophobicContact CD1-CE2 3.94Å; L167-F211 HydrophobicContact CD1-CZ 4.19Å; L167-F211 HydrophobicContact CD2-CD1 3.91Å; L167-F211 HydrophobicContact CD2-CE1 3.73Å; L167-F211 HydrophobicContact CD2-CE2 4.41Å; L167-F211 HydrophobicContact CD2-CG 4.32Å; L167-F211 HydrophobicContact CD2-CZ 3.99Å; L167-F211 HydrophobicContact CG-CE1 4.33Å; L167-F211 HydrophobicContact CG-CE2 4.34Å; L167-F211 HydrophobicContact CG-CZ 4.08Å; L182-F211 HydrophobicContact CB-CD1 4.01Å; V184-F211 HydrophobicContact CB-CD1 4Å; V184-F211 HydrophobicContact CB-CD2 3.91Å; V184-F211 HydrophobicContact CB-CE1 3.87Å; V184-F211 HydrophobicContact CB-CE2 3.76Å; V184-F211 HydrophobicContact CB-CG 4.03Å; V184-F211 HydrophobicContact CB-CZ 3.76Å; V184-F211 HydrophobicContact CG1-CB 4.47Å; V184-F211 HydrophobicContact CG1-CD1 4.44Å; V184-F211 HydrophobicContact CG1-CD2 3.83Å; V184-F211 HydrophobicContact CG1-CE2 4.13Å; V184-F211 HydrophobicContact CG1-CG 4.01Å; V184-F211 HydrophobicContact CG2-CE2 4.33Å; V184-F211 HydrophobicContact CG2-CZ 4.32Å; V197-F211 HydrophobicContact CG1-CE2 3.95Å; L201-F211 HydrophobicContact CD1-CE2 3.94Å; F211-P336 HydrophobicContact CB-CG 4.19Å; F211-P336 WeakPolarHBondContact O-CB 3.37Å
212K98.5Very high97.5Very high82 Ų8236.3 Ų36.336%0.35719%0.189SC..SBendtrans-81.2-31.5171.3175.2167.1177.2-174.10112E180 L182 K210 P336 K337 N405 L406E180-K212 WeakPolarHBondContact O-CD 3.21Å; E180-K212 PolarHBondContact O-NZ 3.15Å; L182-K212 PolarHBondContact O-N 3.41Å; K210-K212 PolarHBondContact O-N 2.78Å; K212-P336 VanDerWaalsContact C-CB 3.49Å; K212-P336 WeakPolarHBondContact O-CB 3.42Å; K212-K337 WeakPolarHBondContact O-CG 3.42Å; K212-N405 WeakPolarHBondContact CE-O 3.29Å; K212-L406 HydrophobicContact CB-CD2 4.47Å; K212-L406 PolarHBondContact NZ-O 3.32Å; K212-L406 VanDerWaalsContact NZ-O 3.08Å
213A98.8Very high97.5Very high0 Ų035.3 Ų35.30%018%0.182CC..EExtended strand (participates in β ladder)trans-139152.1-177.200000112.2L182 C183 V184 K337 W401 L406L182-A213 PolarHBondContact O-N 3.44Å; C183-A213 VanDerWaalsContact CA-O 3.31Å; C183-A213 WeakPolarHBondContact CA-O 3.4Å; C183-A213 HydrophobicContact CB-CB 4.28Å; C183-A213 PolarHBondContact SG-O 2.84Å; V184-A213 PolarHBondContact N-O 2.96Å; V184-A213 VanDerWaalsContact N-O 3.1Å; A213-K337 CarbonylContact C-O 3.6Å; A213-K337 WeakPolarHBondContact CA-O 3.38Å; A213-K337 HydrophobicContact CB-CG 4.23Å; A213-W401 HydrophobicContact CB-CH2 3.83Å; A213-W401 HydrophobicContact CB-CZ3 4.02Å; A213-L406 HydrophobicContact CB-CD2 4.12Å
214Q98.9Very high97.5Very high0 Ų032.1 Ų32.10%017%0.166CC..EExtended strand (participates in β ladder)trans-119.4135.2162.265.2-173.1-63.300109.5V184 A198 T335 P336 K337 A338 Y339V184-Q214 HydrophobicContact CG1-CB 3.96Å; V184-Q214 CarbonylContact O-C 3.35Å; V184-Q214 VanDerWaalsContact O-CA 3.27Å; V184-Q214 WeakPolarHBondContact O-CA 3.31Å; A198-Q214 HydrophobicContact CB-CB 4.26Å; Q214-T335 VanDerWaalsContact NE2-CB 3.31Å; Q214-T335 PolarHBondContact NE2-OG1 3.41Å; Q214-T335 VanDerWaalsContact NE2-OG1 3.09Å; Q214-P336 HydrophobicContact CB-CG 4.1Å; Q214-P336 HydrophobicContact CG-CG 4.3Å; Q214-P336 PolarHBondContact NE2-O 2.71Å; Q214-K337 PolarHBondContact N-O 2.95Å; Q214-A338 HydrophobicContact CG-CB 3.66Å; Q214-A338 CarbonylContact O-C 3.23Å; Q214-A338 VanDerWaalsContact O-CA 3.29Å; Q214-A338 WeakPolarHBondContact O-CA 3.36Å; Q214-Y339 PolarHBondContact O-N 3.22Å
215A98.9Very high97.5Very high0 Ų031 Ų310%016%0.16CC..EExtended strand (participates in β ladder)trans-121.9117175.600000110.7V184 S185 G186 I217 Y339 Y398 W401V184-A215 PolarHBondContact O-N 2.86Å; S185-A215 VanDerWaalsContact CA-O 3.25Å; S185-A215 WeakPolarHBondContact CA-O 3.38Å; S185-A215 PolarHBondContact OG-O 3.2Å; G186-A215 PolarHBondContact N-O 2.77Å; G186-A215 VanDerWaalsContact N-O 3.14Å; A215-I217 HydrophobicContact CB-CD1 4.47Å; A215-Y339 HydrophobicContact CB-CD1 4.26Å; A215-Y398 HydrophobicContact CB-CD2 4.24Å; A215-Y398 HydrophobicContact CB-CE2 3.56Å; A215-W401 HydrophobicContact CB-CZ3 4.43Å
216L98.9Very high97.7Very high0 Ų024.5 Ų24.50%013%0.125CC..EExtended strand (participates in β ladder)trans-117.1108.4-169.7-49.3-179.6000108.9A194 A195 P219 Y339 M341 Y355A194-L216 HydrophobicContact CB-CD2 3.79Å; A195-L216 HydrophobicContact CB-CD1 4Å; A195-L216 HydrophobicContact CB-CD2 4.04Å; L216-P219 HydrophobicContact CB-CB 4.2Å; L216-P219 HydrophobicContact CB-CG 3.98Å; L216-Y339 PolarHBondContact N-O 2.89Å; L216-M341 PolarHBondContact O-N 3.44Å; L216-Y355 HydrophobicContact CD1-CD1 3.7Å; L216-Y355 HydrophobicContact CD1-CE1 3.46Å; L216-Y355 VanDerWaalsContact CD1-CE1 3.46Å
217I98.8Very high97.7Very high0 Ų021.9 Ų21.90%010%0.103CC..EExtended strand (participates in β ladder)trans-100.6112.5-173.4-58.290.3000109.4G186 D187 S188 A215 P219 M341 M379 Y398G186-I217 VanDerWaalsContact O-CD1 3.22Å; G186-I217 WeakPolarHBondContact O-CD1 3.43Å; G186-I217 PolarHBondContact O-N 3.29Å; D187-I217 CarbonylContact C-O 3.56Å; D187-I217 VanDerWaalsContact CA-O 3.26Å; D187-I217 WeakPolarHBondContact CA-O 3.34Å; D187-I217 HydrophobicContact CB-CB 3.77Å; D187-I217 HydrophobicContact CB-CG2 4.05Å; S188-I217 PolarHBondContact N-O 3.22Å; A215-I217 HydrophobicContact CB-CD1 4.47Å; I217-P219 VanDerWaalsContact C-N 3.31Å; I217-M341 HydrophobicContact CG2-CB 4.38Å; I217-M341 HydrophobicContact CG2-CE 4.35Å; I217-M341 HydrophobicContact CG2-CG 4.24Å; I217-M341 HydrophobicContact CG2-SD 3.68Å; I217-M379 HydrophobicContact CB-CE 4.11Å; I217-M379 HydrophobicContact CD1-CE 4.35Å; I217-M379 HydrophobicContact CG1-CE 3.89Å; I217-M379 HydrophobicContact CG1-SD 4.38Å; I217-M379 HydrophobicContact CG2-CE 3.74Å; I217-M379 HydrophobicContact CG2-SD 4.15Å; I217-Y398 HydrophobicContact CD1-CD2 4.46Å; I217-Y398 HydrophobicContact CD1-CE2 4.17Å
218Y98.6Very high97.9Very high2 Ų220.3 Ų20.31%0.00810%0.095CC..SBendtrans37.754.5-17540.3-114.5000113.4D187 S188 M341 H376 M379D187-Y218 HydrophobicContact CB-CD2 4.4Å; D187-Y218 HydrophobicContact CB-CE2 3.57Å; D187-Y218 PolarHBondContact OD2-OH 3.4Å; S188-Y218 WeakPolarHBondContact CA-O 3.11Å; Y218-M341 VanDerWaalsContact CA-O 3.23Å; Y218-M341 WeakPolarHBondContact CA-O 3.42Å; Y218-M341 HydrophobicContact CD1-CE 3.85Å; Y218-M341 HydrophobicContact CE1-CE 3.9Å; Y218-M341 PolarHBondContact N-O 3.47Å; Y218-H376 AromaticContact CD2-CE1 3.71Å; Y218-M379 HydrophobicContact CE1-CB 4.1Å; Y218-M379 WeakPolarHBondContact OH-CB 3.43Å
219P98.8Very high98.1Very high0 Ų012 Ų120%06%0.056CC..  trans-73.2148.2-164.633.2-38.9000112.8L216 I217 L221L216-P219 HydrophobicContact CB-CB 4.2Å; L216-P219 HydrophobicContact CB-CG 3.98Å; I217-P219 VanDerWaalsContact C-N 3.31Å; P219-L221 HydrophobicContact CB-CD1 4.07Å; P219-L221 HydrophobicContact CB-CD2 4.07Å; P219-L221 HydrophobicContact CB-CG 3.9Å; P219-L221 HydrophobicContact CG-CD1 3.66Å; P219-L221 HydrophobicContact CG-CG 4.04Å
220V98.7Very high98.1Very high0 Ų010.6 Ų10.60%05%0.048CC..  trans-86.7127.7166.2-171.70000108.6W114 S188 N192 M245 W249 L348W114-V220 HydrophobicContact CH2-CB 3.91Å; W114-V220 HydrophobicContact CH2-CG1 3.65Å; W114-V220 HydrophobicContact CH2-CG2 4.29Å; W114-V220 HydrophobicContact CZ2-CB 4.25Å; W114-V220 HydrophobicContact CZ2-CG1 4.4Å; S188-V220 PolarHBondContact O-N 3.46Å; N192-V220 WeakPolarHBondContact CB-O 3.39Å; N192-V220 PolarHBondContact ND2-O 3.42Å; V220-M245 HydrophobicContact CG1-CE 3.68Å; V220-M245 HydrophobicContact CG1-SD 4.04Å; V220-M245 HydrophobicContact CG2-CE 4.04Å; V220-M245 HydrophobicContact CG2-SD 3.82Å; V220-W249 HydrophobicContact CG1-CZ2 3.75Å; V220-L348 HydrophobicContact CB-CD1 4.17Å; V220-L348 HydrophobicContact CB-CD2 4.27Å; V220-L348 HydrophobicContact CG1-CD2 4.03Å; V220-L348 HydrophobicContact CG2-CD1 3.31Å; V220-L348 HydrophobicContact CG2-CD2 4.03Å; V220-L348 HydrophobicContact CG2-CG 4.3Å
221L98.8Very high98.1Very high0 Ų07.4 Ų7.40%03%0.034CC..  trans-138.1-9.9-171.3-60.3170.9000115.9A195 P219 A323 P324 L325 D351 Y355A195-L221 HydrophobicContact CB-CD2 3.87Å; P219-L221 HydrophobicContact CB-CD1 4.07Å; P219-L221 HydrophobicContact CB-CD2 4.07Å; P219-L221 HydrophobicContact CB-CG 3.9Å; P219-L221 HydrophobicContact CG-CD1 3.66Å; P219-L221 HydrophobicContact CG-CG 4.04Å; L221-A323 CarbonylContact O-C 3.43Å; L221-A323 VanDerWaalsContact O-C 3.23Å; L221-A323 VanDerWaalsContact O-CA 3.28Å; L221-A323 WeakPolarHBondContact O-CA 3.11Å; L221-P324 HydrophobicContact CD2-CB 4.12Å; L221-P324 HydrophobicContact CD2-CG 4.17Å; L221-L325 HydrophobicContact CB-CB 3.82Å; L221-L325 VanDerWaalsContact O-CB 3.28Å; L221-L325 WeakPolarHBondContact O-CB 3.43Å; L221-L325 PolarHBondContact O-N 3.33Å; L221-L325 VanDerWaalsContact O-N 3.16Å; L221-D351 HydrophobicContact CB-CB 4.25Å; L221-D351 PolarHBondContact N-OD2 2.95Å; L221-Y355 HydrophobicContact CD1-CD1 3.83Å; L221-Y355 HydrophobicContact CD1-CD2 4.07Å; L221-Y355 HydrophobicContact CD1-CG 3.48Å; L221-Y355 VanDerWaalsContact CD1-CG 3.48Å
222Q98.3Very high98Very high0 Ų08.9 Ų8.90%04%0.041CC..  trans-146.9156.4175.364.180.628.300113.9D225 W249 L284 L325 D351Q222-D225 PolarHBondContact NE2-O 2.78Å; Q222-W249 VanDerWaalsContact O-CE2 3.27Å; Q222-W249 WeakPolarHBondContact O-CZ2 3.32Å; Q222-W249 PolarHBondContact O-NE1 3.03Å; Q222-L284 HydrophobicContact CB-CD1 4.21Å; Q222-L284 HydrophobicContact CB-CD2 3.75Å; Q222-L284 HydrophobicContact CG-CD1 4.44Å; Q222-L284 HydrophobicContact CG-CD2 3.92Å; Q222-L325 HydrophobicContact CB-CB 4.24Å; Q222-L325 HydrophobicContact CB-CD2 4.06Å; Q222-L325 HydrophobicContact CG-CD2 3.85Å; Q222-D351 PolarHBondContact N-OD2 3.24Å; Q222-D351 VanDerWaalsContact N-OD2 3.14Å; Q222-D351 PolarHBondContact NE2-OD1 3.16Å; Q222-D351 VanDerWaalsContact NE2-OD1 3.13Å
223A97.3Very high97.9Very high0 Ų08.4 Ų8.40%04%0.04CC..SBendtrans-123.811.8-177.400000113.8F226 W249 H268 L317A223-F226 WeakPolarHBondContact O-CE2 3.37Å; A223-W249 HydrophobicContact CB-CD2 3.48Å; A223-W249 VanDerWaalsContact CB-CD2 3.48Å; A223-W249 HydrophobicContact CB-CE3 3.66Å; A223-W249 HydrophobicContact CB-CG 4.01Å; A223-W249 HydrophobicContact CB-CH2 3.92Å; A223-W249 HydrophobicContact CB-CZ2 3.79Å; A223-W249 HydrophobicContact CB-CZ3 3.87Å; A223-H268 PolarHBondContact O-NE2 2.73Å; A223-L317 HydrophobicContact CB-CD2 3.75Å
224L96Very high97.8Very high6 Ų68.5 Ų8.53%0.0314%0.041CC..SBendtrans-104.3-30.2-172.1-61.1-176.9000113.8N266 S269 I276 T280 L284 L317 I318 L326L224-N266 PolarHBondContact O-OD1 2.91Å; L224-S269 WeakPolarHBondContact O-CB 3.43Å; L224-S269 PolarHBondContact O-OG 2.88Å; L224-I276 HydrophobicContact CD1-CG2 4.21Å; L224-I276 HydrophobicContact CD2-CD1 4.07Å; L224-T280 HydrophobicContact CD1-CG2 4.23Å; L224-L284 HydrophobicContact CB-CD1 3.53Å; L224-L284 HydrophobicContact CD1-CD1 3.81Å; L224-L284 HydrophobicContact CG-CD1 4.05Å; L224-L317 HydrophobicContact CD2-CB 4.27Å; L224-L317 WeakPolarHBondContact CD2-O 3.3Å; L224-I318 HydrophobicContact CD1-CG2 4.15Å; L224-I318 HydrophobicContact CD2-CG2 3.95Å; L224-L326 HydrophobicContact CD1-CD1 4.12Å; L224-L326 HydrophobicContact CD1-CD2 4.28Å
225D97.2Very high97.6Very high21 Ų2112.8 Ų12.811%0.1126%0.061CC..  trans-123.299.6-177.9-169.92.5000111.3Q222 H227 T228 N266 W286Q222-D225 PolarHBondContact NE2-O 2.78Å; D225-H227 VanDerWaalsContact OD1-CA 3.27Å; D225-H227 WeakPolarHBondContact OD1-CA 3.41Å; D225-H227 WeakPolarHBondContact OD1-CB 3.48Å; D225-H227 PolarHBondContact OD1-N 2.84Å; D225-T228 HydrophobicContact CB-CG2 4.24Å; D225-T228 PolarHBondContact OD1-N 2.84Å; D225-N266 PolarHBondContact OD1-ND2 2.82Å; D225-W286 VanDerWaalsContact OD2-CD1 3.29Å; D225-W286 PolarHBondContact OD2-NE1 3.21Å
226F97.3Very high97.3Very high0 Ų015.9 Ų15.90%09%0.086CC..THydrogen-bonded Turntrans-90.617.7171.5-68.2-91.5000112.2A223 Y231 R242 M245 A246 W249 L263 N266A223-F226 WeakPolarHBondContact O-CE2 3.37Å; F226-Y231 HydrophobicContact CD1-CD1 4.17Å; F226-Y231 AromaticContact CD1-CE1 3.65Å; F226-Y231 HydrophobicContact CD1-CE1 3.65Å; F226-Y231 HydrophobicContact CE1-CE1 4.2Å; F226-Y231 VanDerWaalsContact O-CB 3.23Å; F226-Y231 WeakPolarHBondContact O-CB 3.26Å; F226-R242 VanDerWaalsContact O-CD 3.31Å; F226-R242 WeakPolarHBondContact O-CD 3.38Å; F226-M245 HydrophobicContact CE1-CB 4.46Å; F226-M245 HydrophobicContact CE1-CG 4.47Å; F226-A246 HydrophobicContact CD1-CB 4.36Å; F226-A246 HydrophobicContact CE1-CB 3.9Å; F226-A246 HydrophobicContact CZ-CB 4.19Å; F226-W249 AromaticContact CZ-CD1 3.64Å; F226-W249 HydrophobicContact CZ-CG 4.32Å; F226-L263 HydrophobicContact CD2-CB 4.21Å; F226-L263 WeakPolarHBondContact CD2-O 3.45Å; F226-L263 HydrophobicContact CE2-CB 3.9Å; F226-L263 HydrophobicContact CE2-CD2 3.92Å; F226-L263 HydrophobicContact CE2-CG 3.88Å; F226-L263 HydrophobicContact CZ-CB 4.45Å; F226-L263 HydrophobicContact CZ-CD2 3.99Å; F226-L263 HydrophobicContact CZ-CG 4.43Å; F226-N266 PolarHBondContact N-OD1 3.46Å
227H97.1Very high97Very high29 Ų2916.4 Ų16.413%0.1349%0.089CC..THydrogen-bonded Turntrans-128.921.8179.8-75.3-94.1000112.8D225 Q232 L264 V301D225-H227 VanDerWaalsContact OD1-CA 3.27Å; D225-H227 WeakPolarHBondContact OD1-CA 3.41Å; D225-H227 WeakPolarHBondContact OD1-CB 3.48Å; D225-H227 PolarHBondContact OD1-N 2.84Å; H227-Q232 HydrophobicContact CB-CG 4.47Å; H227-Q232 PolarHBondContact O-NE2 3.4Å; H227-L264 PolarHBondContact NE2-O 3.45Å; H227-L264 VanDerWaalsContact NE2-O 3.08Å; H227-V301 HydrophobicContact CB-CB 3.75Å; H227-V301 HydrophobicContact CB-CG2 3.91Å
228T97.7Very high96.6Very high0 Ų016.4 Ų16.40%09%0.089CC..SBendtrans-56.4157.8163.774.20000110.2D225 S230 Y231 Q232 D350 M354D225-T228 HydrophobicContact CB-CG2 4.24Å; D225-T228 PolarHBondContact OD1-N 2.84Å; T228-S230 PolarHBondContact O-N 3.19Å; T228-S230 VanDerWaalsContact O-N 3.14Å; T228-S230 PolarHBondContact OG1-OG 3.01Å; T228-S230 VanDerWaalsContact OG1-OG 3.09Å; T228-Y231 HydrophobicContact CG2-CD2 4.29Å; T228-Y231 PolarHBondContact O-N 3.38Å; T228-Y231 VanDerWaalsContact O-N 3.07Å; T228-Y231 VanDerWaalsContact OG1-CD2 3.32Å; T228-Y231 WeakPolarHBondContact OG1-CD2 3.11Å; T228-Y231 PolarHBondContact OG1-N 3.18Å; T228-Q232 PolarHBondContact O-N 3.36Å; T228-D350 HydrophobicContact CG2-CB 4.48Å; T228-D350 PolarHBondContact OG1-OD2 3.37Å; T228-M354 HydrophobicContact CG2-CE 4.03Å
229P98.1Very high96.1Very high0 Ų017.5 Ų17.50%010%0.095CC..Hα-helixtrans-45.5-43.4174.8-31.835.9000114.1Q232 Q233 W286 L290 R294 F298 D350P229-Q232 PolarHBondContact O-N 2.85Å; P229-Q233 WeakPolarHBondContact O-CB 3.4Å; P229-Q233 PolarHBondContact O-N 3.07Å; P229-W286 HydrophobicContact CG-CD2 4.13Å; P229-W286 HydrophobicContact CG-CE3 3.78Å; P229-W286 HydrophobicContact CG-CH2 4.15Å; P229-W286 HydrophobicContact CG-CZ2 4.41Å; P229-W286 HydrophobicContact CG-CZ3 3.82Å; P229-L290 HydrophobicContact CG-CD1 3.91Å; P229-R294 WeakPolarHBondContact CB-O 3.43Å; P229-F298 HydrophobicContact CB-CB 4.16Å; P229-F298 HydrophobicContact CB-CD1 4.3Å; P229-F298 HydrophobicContact CB-CD2 3.55Å; P229-F298 HydrophobicContact CB-CE2 3.97Å; P229-F298 HydrophobicContact CB-CG 3.73Å; P229-F298 HydrophobicContact CG-CB 3.89Å; P229-F298 HydrophobicContact CG-CD2 4.14Å; P229-F298 HydrophobicContact CG-CG 4.05Å; P229-D350 VanDerWaalsContact CB-OD2 3.26Å; P229-D350 WeakPolarHBondContact CB-OD2 3.43Å; P229-D350 WeakPolarHBondContact CD-OD2 3.48Å
230S97.8Very high95.9Very high0 Ų018.1 Ų18.10%010%0.098CC..Hα-helixtrans-68.3-41.8178.461.30000113.4T228 Q232 Q233 N234 D346 V347 D350T228-S230 PolarHBondContact O-N 3.19Å; T228-S230 VanDerWaalsContact O-N 3.14Å; T228-S230 PolarHBondContact OG1-OG 3.01Å; T228-S230 VanDerWaalsContact OG1-OG 3.09Å; S230-Q232 VanDerWaalsContact C-N 3.25Å; S230-Q232 PolarHBondContact O-N 3.39Å; S230-Q233 PolarHBondContact O-N 3.25Å; S230-N234 VanDerWaalsContact O-CB 3.31Å; S230-N234 WeakPolarHBondContact O-CB 3.31Å; S230-N234 PolarHBondContact O-N 3.29Å; S230-D346 WeakPolarHBondContact CB-O 3.37Å; S230-V347 WeakPolarHBondContact CB-O 3.32Å; S230-V347 PolarHBondContact OG-O 3.29Å; S230-D350 VanDerWaalsContact CB-CG 3.43Å; S230-D350 WeakPolarHBondContact CB-OD1 3.24Å; S230-D350 PolarHBondContact N-OD2 3.22Å; S230-D350 VanDerWaalsContact OG-CB 3.25Å; S230-D350 WeakPolarHBondContact OG-CB 3.36Å; S230-D350 PolarHBondContact OG-N 3.14Å; S230-D350 VanDerWaalsContact OG-N 3.13Å; S230-D350 PolarHBondContact OG-OD2 2.89Å
231Y97.8Very high95.7Very high0 Ų019.7 Ų19.70%010%0.104CC..Hα-helixtrans-63.7-31175.2-88.1-76.7000112.7F226 T228 Q235 R242 M245 V347 L348F226-Y231 HydrophobicContact CD1-CD1 4.17Å; F226-Y231 AromaticContact CD1-CE1 3.65Å; F226-Y231 HydrophobicContact CD1-CE1 3.65Å; F226-Y231 HydrophobicContact CE1-CE1 4.2Å; F226-Y231 VanDerWaalsContact O-CB 3.23Å; F226-Y231 WeakPolarHBondContact O-CB 3.26Å; T228-Y231 HydrophobicContact CG2-CD2 4.29Å; T228-Y231 PolarHBondContact O-N 3.38Å; T228-Y231 VanDerWaalsContact O-N 3.07Å; T228-Y231 VanDerWaalsContact OG1-CD2 3.32Å; T228-Y231 WeakPolarHBondContact OG1-CD2 3.11Å; T228-Y231 PolarHBondContact OG1-N 3.18Å; Y231-Q235 WeakPolarHBondContact O-CB 3.41Å; Y231-Q235 PolarHBondContact O-N 3.02Å; Y231-R242 HydrophobicContact CD1-CB 4.18Å; Y231-R242 HydrophobicContact CD1-CG 3.77Å; Y231-R242 HydrophobicContact CE1-CG 4.41Å; Y231-M245 HydrophobicContact CE1-CB 4.16Å; Y231-M245 HydrophobicContact CE1-CG 4.19Å; Y231-M245 WeakPolarHBondContact OH-CG 3.27Å; Y231-V347 HydrophobicContact CD1-CB 3.66Å; Y231-V347 HydrophobicContact CD1-CG1 4.25Å; Y231-V347 HydrophobicContact CD1-CG2 4.25Å; Y231-V347 WeakPolarHBondContact CD2-O 3.41Å; Y231-V347 HydrophobicContact CE1-CB 3.88Å; Y231-V347 HydrophobicContact CE1-CG2 3.97Å; Y231-V347 HydrophobicContact CG-CB 4.19Å; Y231-L348 WeakPolarHBondContact OH-CD2 3.28Å
232Q96.6Very high95.6Very high46 Ų4621.6 Ų21.622%0.21511%0.112CC..Hα-helixtrans-78.2-49.1175.3-66.2-174.360.700112.1H227 T228 P229 S230 Q235 F298H227-Q232 HydrophobicContact CB-CG 4.47Å; H227-Q232 PolarHBondContact O-NE2 3.4Å; T228-Q232 PolarHBondContact O-N 3.36Å; P229-Q232 PolarHBondContact O-N 2.85Å; S230-Q232 VanDerWaalsContact C-N 3.25Å; S230-Q232 PolarHBondContact O-N 3.39Å; Q232-Q235 PolarHBondContact O-NE2 2.89Å; Q232-F298 HydrophobicContact CB-CD1 3.99Å; Q232-F298 HydrophobicContact CB-CE1 3.71Å
233Q95.8Very high95.5Very high73 Ų7323.5 Ų23.534%0.34112%0.124SC..Hα-helixtrans-60.9-47.2-179-176-177.8-34.700111.5P229 S230 F298 E344P229-Q233 WeakPolarHBondContact O-CB 3.4Å; P229-Q233 PolarHBondContact O-N 3.07Å; S230-Q233 PolarHBondContact O-N 3.25Å; Q233-F298 HydrophobicContact CB-CE1 4.45Å; Q233-F298 HydrophobicContact CB-CZ 3.86Å; Q233-E344 PolarHBondContact NE2-OE1 3.28Å
234N96.7Very high95.4Very high2 Ų224.9 Ų24.91%0.01113%0.129CC..THydrogen-bonded Turntrans-102.514.9-169.1-60.2-43.2000113.1S230 A236 V237 E344 D346 V347S230-N234 VanDerWaalsContact O-CB 3.31Å; S230-N234 WeakPolarHBondContact O-CB 3.31Å; S230-N234 PolarHBondContact O-N 3.29Å; N234-A236 PolarHBondContact O-N 3.12Å; N234-V237 HydrophobicContact CB-CB 4.21Å; N234-V237 HydrophobicContact CB-CG2 4.11Å; N234-V237 PolarHBondContact O-N 3.44Å; N234-E344 PolarHBondContact ND2-O 3.35Å; N234-D346 PolarHBondContact ND2-N 3.41Å; N234-D346 VanDerWaalsContact ND2-N 3.2Å; N234-D346 PolarHBondContact ND2-O 2.89Å; N234-V347 HydrophobicContact CB-CG1 3.99Å; N234-V347 WeakPolarHBondContact O-CG1 3.29Å
235Q95.3Very high95.5Very high90 Ų9024.7 Ų24.742%0.42113%0.128SC..THydrogen-bonded Turntrans-52.8-30.1-174.669.3-172.8-70.300114.5Y231 Q232 R242Y231-Q235 WeakPolarHBondContact O-CB 3.41Å; Y231-Q235 PolarHBondContact O-N 3.02Å; Q232-Q235 PolarHBondContact O-NE2 2.89Å; Q235-R242 HydrophobicContact CB-CB 4.17Å; Q235-R242 PolarHBondContact O-N 3.21Å
236A91.4Very high95.5Very high64 Ų6423.7 Ų23.753%0.52912%0.123SC..THydrogen-bonded Turntrans-115.312.1-177.300000113.6N234 Y241N234-A236 PolarHBondContact O-N 3.12Å; A236-Y241 WeakPolarHBondContact O-CE1 3.33Å
237V93.1Very high95.4Very high11 Ų1126.2 Ų26.27%0.06713%0.133CC..  trans-89.2129179.7179.30000109.4P23 N234 F345P23-V237 HydrophobicContact CG-CG2 4.26Å; N234-V237 HydrophobicContact CB-CB 4.21Å; N234-V237 HydrophobicContact CB-CG2 4.11Å; N234-V237 PolarHBondContact O-N 3.44Å; V237-F345 HydrophobicContact CG1-CB 3.69Å
238P90.8Very high95.4Very high1 Ų125.8 Ų25.81%0.00613%0.13CC..SBendtrans-66.9157.9171.8-15.327.5000113.1L20 L22 L32 D36L20-P238 HydrophobicContact CD2-CG 3.47Å; L20-P238 VanDerWaalsContact CD2-CG 3.47Å; L22-P238 HydrophobicContact CD2-CG 4Å; L32-P238 HydrophobicContact CD1-CB 4.02Å; L32-P238 HydrophobicContact CG-CB 4.16Å; L32-P238 HydrophobicContact CG-CG 4.49Å; D36-P238 HydrophobicContact CB-CB 3.57Å; D36-P238 HydrophobicContact CB-CG 3.69Å; D36-P238 VanDerWaalsContact CG-CG 3.46Å; D36-P238 WeakPolarHBondContact OD1-CB 3.22Å
239I87.6Confident95.4Very high25 Ų2525.8 Ų25.813%0.12813%0.13CC..SBendcis-92.8-10.7-0.659.8169.9000113.3L32 L35 H376 F381L32-I239 HydrophobicContact CD1-CG2 3.91Å; L35-I239 HydrophobicContact CD2-CG2 3.68Å; L35-I239 HydrophobicContact CG-CG2 3.93Å; I239-H376 WeakPolarHBondContact CG1-O 3.32Å; I239-F381 HydrophobicContact CD1-CE2 3.72Å; I239-F381 HydrophobicContact CD1-CZ 4.03Å
240L94.5Very high95.4Very high13 Ų1325.9 Ų25.97%0.06813%0.131CC..SBendtrans-10794.3-176-17665.2000110.8M245 F248 V347 L348 H376L240-M245 HydrophobicContact CD1-CB 4.41Å; L240-M245 HydrophobicContact CD1-SD 4.31Å; L240-M245 HydrophobicContact CD2-SD 4.11Å; L240-F248 HydrophobicContact CD1-CD2 4.37Å; L240-F248 HydrophobicContact CD1-CE2 4.34Å; L240-V347 HydrophobicContact CD2-CG2 3.7Å; L240-V347 HydrophobicContact CG-CG2 3.79Å; L240-L348 HydrophobicContact CD2-CD1 3.65Å; L240-L348 HydrophobicContact CD2-CD2 4.49Å; L240-L348 HydrophobicContact CD2-CG 3.78Å; L240-H376 HydrophobicContact CB-CB 3.79Å; L240-H376 HydrophobicContact CD2-CB 4.5Å
241Y95.4Very high95.3Very high32 Ų3227.5 Ų27.513%0.12514%0.138CC..  trans-75.8147.9174.4-61.2-91.1000111.3D36 A236 Y244 M245D36-Y241 WeakPolarHBondContact OD1-CE2 3.17Å; D36-Y241 PolarHBondContact OD1-OH 2.87Å; D36-Y241 PolarHBondContact OD2-OH 2.88Å; A236-Y241 WeakPolarHBondContact O-CE1 3.33Å; Y241-Y244 AromaticContact CD2-CD2 3.62Å; Y241-Y244 HydrophobicContact CD2-CD2 3.62Å; Y241-Y244 AromaticContact CD2-CE2 3.42Å; Y241-Y244 HydrophobicContact CD2-CE2 3.42Å; Y241-Y244 VanDerWaalsContact CD2-CE2 3.42Å; Y241-Y244 HydrophobicContact CE2-CE2 4.1Å; Y241-Y244 HydrophobicContact CG-CD2 4.25Å; Y241-Y244 HydrophobicContact CG-CE2 4.25Å; Y241-Y244 WeakPolarHBondContact O-CB 3.43Å; Y241-Y244 PolarHBondContact O-N 3.45Å; Y241-M245 PolarHBondContact O-N 3.33Å
242R96.9Very high95.4Very high41 Ų4127.5 Ų27.516%0.15514%0.138CC..Hα-helixtrans-50.6-47178.3174.317981.3-149.73.1113.4F226 Y231 Q235 Y244 M245 A246 L264 V347F226-R242 VanDerWaalsContact O-CD 3.31Å; F226-R242 WeakPolarHBondContact O-CD 3.38Å; Y231-R242 HydrophobicContact CD1-CB 4.18Å; Y231-R242 HydrophobicContact CD1-CG 3.77Å; Y231-R242 HydrophobicContact CE1-CG 4.41Å; Q235-R242 HydrophobicContact CB-CB 4.17Å; Q235-R242 PolarHBondContact O-N 3.21Å; R242-Y244 VanDerWaalsContact C-N 3.3Å; R242-Y244 PolarHBondContact O-N 3.18Å; R242-M245 PolarHBondContact O-N 2.83Å; R242-A246 PolarHBondContact O-N 3.32Å; R242-L264 HydrophobicContact CG-CD2 3.71Å; R242-V347 HydrophobicContact CB-CG1 4.34Å
243P96.1Very high95.4Very high40 Ų4026.3 Ų26.326%0.2613%0.133SC..Hα-helixtrans-61.6-33.1176.7-24.536.3000114.4M245 A246 R247 L264P243-M245 VanDerWaalsContact C-N 3.32Å; P243-M245 PolarHBondContact O-N 3.07Å; P243-A246 PolarHBondContact O-N 3.03Å; P243-R247 WeakPolarHBondContact O-CG 3.43Å; P243-R247 PolarHBondContact O-N 3.29Å; P243-L264 HydrophobicContact CB-CD1 4.11Å; P243-L264 HydrophobicContact CG-CD1 4.19Å; P243-L264 HydrophobicContact CG-CD2 4.46Å
244Y94.3Very high95.5Very high29 Ų2925.2 Ų25.211%0.11414%0.142CC..Hα-helixtrans-67-37.6177.3-66.1-15.5000111.4F39 M43 Y241 R242 R247 F248F39-Y244 HydrophobicContact CD1-CE2 4.28Å; F39-Y244 HydrophobicContact CE1-CD2 4.01Å; F39-Y244 AromaticContact CE1-CE2 3.8Å; F39-Y244 HydrophobicContact CE1-CE2 3.8Å; M43-Y244 HydrophobicContact CE-CD1 4.23Å; M43-Y244 HydrophobicContact CE-CE1 4Å; M43-Y244 HydrophobicContact CE-CE2 4.43Å; M43-Y244 HydrophobicContact CG-CE2 4.4Å; Y241-Y244 AromaticContact CD2-CD2 3.62Å; Y241-Y244 HydrophobicContact CD2-CD2 3.62Å; Y241-Y244 AromaticContact CD2-CE2 3.42Å; Y241-Y244 HydrophobicContact CD2-CE2 3.42Å; Y241-Y244 VanDerWaalsContact CD2-CE2 3.42Å; Y241-Y244 HydrophobicContact CE2-CE2 4.1Å; Y241-Y244 HydrophobicContact CG-CD2 4.25Å; Y241-Y244 HydrophobicContact CG-CE2 4.25Å; Y241-Y244 WeakPolarHBondContact O-CB 3.43Å; Y241-Y244 PolarHBondContact O-N 3.45Å; R242-Y244 VanDerWaalsContact C-N 3.3Å; R242-Y244 PolarHBondContact O-N 3.18Å; Y244-R247 PolarHBondContact O-N 3.26Å; Y244-F248 WeakPolarHBondContact O-CD2 3.38Å; Y244-F248 WeakPolarHBondContact O-CG 3.4Å; Y244-F248 PolarHBondContact O-N 2.9Å
245M97.4Very high95.5Very high2 Ų226.1 Ų26.11%0.0115%0.15CC..Hα-helixtrans-65.6-41.9175.7-161.658.7-109.800112.1W114 V220 F226 Y231 L240 Y241 R242 P243 R247 F248 W249 L348W114-M245 HydrophobicContact CH2-CE 4.04Å; W114-M245 HydrophobicContact CZ3-CE 3.61Å; V220-M245 HydrophobicContact CG1-CE 3.68Å; V220-M245 HydrophobicContact CG1-SD 4.04Å; V220-M245 HydrophobicContact CG2-CE 4.04Å; V220-M245 HydrophobicContact CG2-SD 3.82Å; F226-M245 HydrophobicContact CE1-CB 4.46Å; F226-M245 HydrophobicContact CE1-CG 4.47Å; Y231-M245 HydrophobicContact CE1-CB 4.16Å; Y231-M245 HydrophobicContact CE1-CG 4.19Å; Y231-M245 WeakPolarHBondContact OH-CG 3.27Å; L240-M245 HydrophobicContact CD1-CB 4.41Å; L240-M245 HydrophobicContact CD1-SD 4.31Å; L240-M245 HydrophobicContact CD2-SD 4.11Å; Y241-M245 PolarHBondContact O-N 3.33Å; R242-M245 PolarHBondContact O-N 2.83Å; P243-M245 VanDerWaalsContact C-N 3.32Å; P243-M245 PolarHBondContact O-N 3.07Å; M245-R247 VanDerWaalsContact C-N 3.3Å; M245-R247 PolarHBondContact O-N 3.04Å; M245-F248 HydrophobicContact CE-CB 3.77Å; M245-F248 PolarHBondContact O-N 3.24Å; M245-W249 HydrophobicContact CE-CG 4.15Å; M245-W249 PolarHBondContact O-N 3.24Å; M245-L348 HydrophobicContact CG-CD2 4.02Å; M245-L348 HydrophobicContact SD-CD2 4.02Å
246A97.6Very high95.4Very high0 Ų026.4 Ų26.40%015%0.154CC..Hα-helixtrans-59.2-41.9173.200000111.7F226 R242 P243 W249 L250 E260 L263 L264F226-A246 HydrophobicContact CD1-CB 4.36Å; F226-A246 HydrophobicContact CE1-CB 3.9Å; F226-A246 HydrophobicContact CZ-CB 4.19Å; R242-A246 PolarHBondContact O-N 3.32Å; P243-A246 PolarHBondContact O-N 3.03Å; A246-W249 PolarHBondContact O-N 3.41Å; A246-L250 WeakPolarHBondContact O-CG 3.21Å; A246-L250 PolarHBondContact O-N 2.99Å; A246-E260 HydrophobicContact CB-CG 4.43Å; A246-L263 HydrophobicContact CB-CB 4.15Å; A246-L263 HydrophobicContact CB-CD2 4.35Å; A246-L264 HydrophobicContact CB-CD2 4.08Å; A246-L264 HydrophobicContact CB-CG 4.21Å
247R95.5Very high95.4Very high53 Ų5326.8 Ų26.820%0.215%0.153CC..Hα-helixtrans-64.7-41.4175.4-70.3173.4-172.2179.86.8113.3D47 P243 Y244 M245 L250 Q251 E260D47-R247 IonicContact OD2-NH1 3.3Å; P243-R247 WeakPolarHBondContact O-CG 3.43Å; P243-R247 PolarHBondContact O-N 3.29Å; Y244-R247 PolarHBondContact O-N 3.26Å; M245-R247 VanDerWaalsContact C-N 3.3Å; M245-R247 PolarHBondContact O-N 3.04Å; R247-L250 PolarHBondContact O-N 2.84Å; R247-Q251 WeakPolarHBondContact O-CB 3.31Å; R247-Q251 VanDerWaalsContact O-CG 3.28Å; R247-Q251 WeakPolarHBondContact O-CG 3.44Å; R247-Q251 PolarHBondContact O-N 2.97Å; R247-E260 HydrophobicContact CG-CG 4.26Å; R247-E260 VanDerWaalsContact CG-OE2 3.26Å; R247-E260 WeakPolarHBondContact CG-OE2 3.49Å; R247-E260 IonicContact CZ-OE1 2.73Å; R247-E260 IonicContact CZ-OE2 2.79Å; R247-E260 IonicContact NE-OE1 3.34Å; R247-E260 PolarHBondContact NE-OE1 3.5Å; R247-E260 IonicContact NE-OE2 3.64Å; R247-E260 PolarHBondContact NE-OE2 2.95Å; R247-E260 IonicContact NH2-OE1 3.46Å; R247-E260 PolarHBondContact NH2-OE1 3.05Å; R247-E260 IonicContact NH2-OE2 3.67Å; R247-E260 PolarHBondContact NH2-OE2 2.91Å
248F96.9Very high95.5Very high19 Ų1929.7 Ų29.78%0.08317%0.173CC..Hα-helixtrans-66.1-40177.6-76.6-53.1000111.3G113 A115 L116 L240 Y244 M245 Q251 Y252G113-F248 WeakPolarHBondContact O-CD1 3.36Å; A115-F248 HydrophobicContact CB-CD1 4.12Å; A115-F248 HydrophobicContact CB-CE1 4.18Å; L116-F248 HydrophobicContact CD1-CE1 4.06Å; L116-F248 HydrophobicContact CD1-CZ 3.88Å; L116-F248 HydrophobicContact CG-CE1 4.26Å; L240-F248 HydrophobicContact CD1-CD2 4.37Å; L240-F248 HydrophobicContact CD1-CE2 4.34Å; Y244-F248 WeakPolarHBondContact O-CD2 3.38Å; Y244-F248 WeakPolarHBondContact O-CG 3.4Å; Y244-F248 PolarHBondContact O-N 2.9Å; M245-F248 HydrophobicContact CE-CB 3.77Å; M245-F248 PolarHBondContact O-N 3.24Å; F248-Q251 PolarHBondContact O-N 2.95Å; F248-Y252 VanDerWaalsContact O-CB 3.23Å; F248-Y252 WeakPolarHBondContact O-CB 3.38Å; F248-Y252 PolarHBondContact O-N 2.83Å
249W98.4Very high95.7Very high0 Ų031 Ų310%018%0.181CC..Hα-helixtrans-58.3-48.6171.4-89.4116.9000112.3W114 V220 Q222 A223 F226 M245 A246 Q251 Y252 L253 L263 A322 A323W114-W249 HydrophobicContact CH2-CD2 4.28Å; W114-W249 HydrophobicContact CH2-CE3 4.42Å; W114-W249 HydrophobicContact CH2-CH2 4.33Å; W114-W249 HydrophobicContact CH2-CZ2 4.15Å; W114-W249 HydrophobicContact CH2-CZ3 4.45Å; W114-W249 HydrophobicContact CZ3-CD2 4.37Å; V220-W249 HydrophobicContact CG1-CZ2 3.75Å; Q222-W249 VanDerWaalsContact O-CE2 3.27Å; Q222-W249 WeakPolarHBondContact O-CZ2 3.32Å; Q222-W249 PolarHBondContact O-NE1 3.03Å; A223-W249 HydrophobicContact CB-CD2 3.48Å; A223-W249 VanDerWaalsContact CB-CD2 3.48Å; A223-W249 HydrophobicContact CB-CE3 3.66Å; A223-W249 HydrophobicContact CB-CG 4.01Å; A223-W249 HydrophobicContact CB-CH2 3.92Å; A223-W249 HydrophobicContact CB-CZ2 3.79Å; A223-W249 HydrophobicContact CB-CZ3 3.87Å; F226-W249 AromaticContact CZ-CD1 3.64Å; F226-W249 HydrophobicContact CZ-CG 4.32Å; M245-W249 HydrophobicContact CE-CG 4.15Å; M245-W249 PolarHBondContact O-N 3.24Å; A246-W249 PolarHBondContact O-N 3.41Å; W249-Q251 VanDerWaalsContact C-N 3.35Å; W249-Q251 PolarHBondContact O-N 3.37Å; W249-Y252 HydrophobicContact CE3-CD1 4.09Å; W249-Y252 HydrophobicContact CZ3-CD1 4.02Å; W249-Y252 HydrophobicContact CZ3-CE1 4.27Å; W249-Y252 PolarHBondContact O-N 3.15Å; W249-L253 HydrophobicContact CE3-CD1 4.04Å; W249-L253 HydrophobicContact CE3-CG 4.2Å; W249-L253 WeakPolarHBondContact O-CB 3.18Å; W249-L253 VanDerWaalsContact O-CG 3.25Å; W249-L253 WeakPolarHBondContact O-CG 3.25Å; W249-L253 PolarHBondContact O-N 2.87Å; W249-L263 HydrophobicContact CB-CD2 4.47Å; W249-A322 WeakPolarHBondContact CH2-O 3.34Å; W249-A322 HydrophobicContact CZ3-CB 4.2Å; W249-A323 HydrophobicContact CH2-CB 4.11Å
250L97.7Very high96.1Very high3 Ų331.3 Ų31.32%0.01618%0.181CC..Hα-helixtrans-62.7-42178.6-66.8170.7000112A246 R247 L253 G254 A255 L259 E260 L263A246-L250 WeakPolarHBondContact O-CG 3.21Å; A246-L250 PolarHBondContact O-N 2.99Å; R247-L250 PolarHBondContact O-N 2.84Å; L250-L253 PolarHBondContact O-N 2.98Å; L250-G254 PolarHBondContact O-N 3.15Å; L250-G254 VanDerWaalsContact O-N 3.14Å; L250-A255 HydrophobicContact CB-CB 4.27Å; L250-A255 HydrophobicContact CD2-CB 3.65Å; L250-A255 PolarHBondContact O-N 3.47Å; L250-L259 HydrophobicContact CD1-CB 4.13Å; L250-L259 HydrophobicContact CD2-CB 3.8Å; L250-L259 HydrophobicContact CD2-CD1 4.26Å; L250-E260 HydrophobicContact CD1-CB 3.97Å; L250-L263 HydrophobicContact CD1-CD2 4.39Å; L250-L263 HydrophobicContact CD2-CD1 4.14Å; L250-L263 HydrophobicContact CD2-CD2 3.91Å; L250-L263 HydrophobicContact CG-CD2 3.9Å
251Q96.3Very high96.3Very high33 Ų3334.9 Ų34.915%0.15421%0.205CC..Hα-helixtrans-64.6-45.4176.8-73.8167.731.200112.1A147 V151 R247 F248 W249 L253 G254A147-Q251 HydrophobicContact CB-CB 4.33Å; V151-Q251 WeakPolarHBondContact CG1-O 3.23Å; R247-Q251 WeakPolarHBondContact O-CB 3.31Å; R247-Q251 VanDerWaalsContact O-CG 3.28Å; R247-Q251 WeakPolarHBondContact O-CG 3.44Å; R247-Q251 PolarHBondContact O-N 2.97Å; F248-Q251 PolarHBondContact O-N 2.95Å; W249-Q251 VanDerWaalsContact C-N 3.35Å; W249-Q251 PolarHBondContact O-N 3.37Å; Q251-L253 VanDerWaalsContact C-N 3.28Å; Q251-L253 PolarHBondContact O-N 2.79Å; Q251-G254 PolarHBondContact O-N 2.84Å; Q251-G254 VanDerWaalsContact O-N 3.15Å
252Y98.4Very high96.3Very high0 Ų034.4 Ų34.40%021%0.206CC..Hα-helixtrans-59.4-41.8177.4176.2-133.1000111.3W114 V151 F152 Q155 F248 W249 G254 A322W114-Y252 HydrophobicContact CB-CD2 3.49Å; W114-Y252 VanDerWaalsContact CB-CD2 3.49Å; W114-Y252 HydrophobicContact CB-CE2 4.12Å; W114-Y252 HydrophobicContact CB-CG 3.99Å; W114-Y252 AromaticContact CD1-CD2 3.82Å; W114-Y252 AromaticContact CD1-CE2 3.63Å; W114-Y252 AromaticContact CD1-CZ 3.97Å; W114-Y252 AromaticContact CD2-CD1 3.8Å; W114-Y252 HydrophobicContact CD2-CD1 3.8Å; W114-Y252 AromaticContact CD2-CD2 3.81Å; W114-Y252 HydrophobicContact CD2-CD2 3.81Å; W114-Y252 HydrophobicContact CD2-CE1 4.23Å; W114-Y252 HydrophobicContact CD2-CE2 4.23Å; W114-Y252 AromaticContact CD2-CG 3.56Å; W114-Y252 HydrophobicContact CD2-CG 3.56Å; W114-Y252 AromaticContact CE2-CD1 3.92Å; W114-Y252 AromaticContact CE2-CE1 3.93Å; W114-Y252 AromaticContact CE3-CD1 3.92Å; W114-Y252 HydrophobicContact CE3-CD1 3.92Å; W114-Y252 HydrophobicContact CE3-CD2 4.34Å; W114-Y252 AromaticContact CE3-CG 3.69Å; W114-Y252 HydrophobicContact CE3-CG 3.69Å; W114-Y252 HydrophobicContact CG-CD1 4.3Å; W114-Y252 AromaticContact CG-CD2 3.42Å; W114-Y252 HydrophobicContact CG-CD2 3.42Å; W114-Y252 VanDerWaalsContact CG-CD2 3.42Å; W114-Y252 AromaticContact CG-CE2 3.75Å; W114-Y252 HydrophobicContact CG-CE2 3.75Å; W114-Y252 AromaticContact CG-CG 3.73Å; W114-Y252 HydrophobicContact CG-CG 3.73Å; W114-Y252 HydrophobicContact CH2-CD1 4.2Å; W114-Y252 HydrophobicContact CZ2-CD1 4.13Å; W114-Y252 HydrophobicContact CZ2-CE1 4.15Å; W114-Y252 HydrophobicContact CZ3-CD1 4.1Å; W114-Y252 HydrophobicContact CZ3-CG 4.3Å; W114-Y252 AromaticContact NE1-CZ 3.86Å; V151-Y252 WeakPolarHBondContact CB-O 3.32Å; F152-Y252 HydrophobicContact CB-CD2 4.11Å; F152-Y252 HydrophobicContact CB-CE1 4.27Å; F152-Y252 HydrophobicContact CB-CE2 3.83Å; F152-Y252 HydrophobicContact CB-CG 4.46Å; F152-Y252 VanDerWaalsContact CB-O 3.29Å; F152-Y252 WeakPolarHBondContact CB-O 3.5Å; F152-Y252 HydrophobicContact CD2-CE1 4.16Å; F152-Y252 HydrophobicContact CD2-CE2 4.31Å; F152-Y252 AromaticContact CD2-CZ 3.71Å; F152-Y252 WeakPolarHBondContact CD2-OH 3.47Å; F152-Y252 HydrophobicContact CG-CE1 4.48Å; F152-Y252 PolarHBondContact N-O 3.38Å; Q155-Y252 HydrophobicContact CB-CE2 4.13Å; Q155-Y252 HydrophobicContact CG-CE2 4.42Å; F248-Y252 VanDerWaalsContact O-CB 3.23Å; F248-Y252 WeakPolarHBondContact O-CB 3.38Å; F248-Y252 PolarHBondContact O-N 2.83Å; W249-Y252 HydrophobicContact CE3-CD1 4.09Å; W249-Y252 HydrophobicContact CZ3-CD1 4.02Å; W249-Y252 HydrophobicContact CZ3-CE1 4.27Å; W249-Y252 PolarHBondContact O-N 3.15Å; Y252-G254 VanDerWaalsContact C-N 3.26Å; Y252-G254 PolarHBondContact O-N 3.47Å; Y252-A322 HydrophobicContact CE1-CB 3.95Å
253L98.4Very high96.3Very high21 Ų2132.4 Ų32.411%0.1120%0.198CC..THydrogen-bonded Turntrans-82.72.7-179.8-61.3179.9000114F152 W249 L250 Q251 A255 V314 L317 A322F152-L253 HydrophobicContact CB-CD2 4Å; F152-L253 HydrophobicContact CD1-CD2 4.03Å; F152-L253 HydrophobicContact CG-CD2 4.06Å; W249-L253 HydrophobicContact CE3-CD1 4.04Å; W249-L253 HydrophobicContact CE3-CG 4.2Å; W249-L253 WeakPolarHBondContact O-CB 3.18Å; W249-L253 VanDerWaalsContact O-CG 3.25Å; W249-L253 WeakPolarHBondContact O-CG 3.25Å; W249-L253 PolarHBondContact O-N 2.87Å; L250-L253 PolarHBondContact O-N 2.98Å; Q251-L253 VanDerWaalsContact C-N 3.28Å; Q251-L253 PolarHBondContact O-N 2.79Å; L253-A255 HydrophobicContact CB-CB 4.41Å; L253-A255 PolarHBondContact O-N 3.42Å; L253-V314 HydrophobicContact CB-CG1 3.78Å; L253-V314 HydrophobicContact CD1-CG1 3.68Å; L253-V314 HydrophobicContact CG-CG1 4.36Å; L253-L317 HydrophobicContact CD1-CD2 3.79Å; L253-L317 HydrophobicContact CD1-CG 4Å; L253-A322 HydrophobicContact CD2-CB 4.03Å
254G96.6Very high96.3Very high50 Ų5032.1 Ų32.152%0.51519%0.194SC..THydrogen-bonded Turntrans61.424.2-175.400000113.7L250 Q251 Y252L250-G254 PolarHBondContact O-N 3.15Å; L250-G254 VanDerWaalsContact O-N 3.14Å; Q251-G254 PolarHBondContact O-N 2.84Å; Q251-G254 VanDerWaalsContact O-N 3.15Å; Y252-G254 VanDerWaalsContact C-N 3.26Å; Y252-G254 PolarHBondContact O-N 3.47Å
255A96.4Very high96.4Very high22 Ų2232.4 Ų32.418%0.18220%0.202CC..  trans-87.5158.2-174.800000112.3L250 L253 S257 V314L250-A255 HydrophobicContact CB-CB 4.27Å; L250-A255 HydrophobicContact CD2-CB 3.65Å; L250-A255 PolarHBondContact O-N 3.47Å; L253-A255 HydrophobicContact CB-CB 4.41Å; L253-A255 PolarHBondContact O-N 3.42Å; A255-S257 PolarHBondContact O-N 3.33Å; A255-V314 HydrophobicContact CB-CB 4.4Å; A255-V314 HydrophobicContact CB-CG1 3.81Å; A255-V314 HydrophobicContact CB-CG2 3.6Å
256D94Very high96.3Very high95 Ų9532.5 Ų32.551%0.50820%0.203SC..  trans-63.2125.6175.1-175-3.6000110.9S258 L259D256-S258 PolarHBondContact O-N 2.9Å; D256-S258 VanDerWaalsContact O-N 3.15Å; D256-S258 WeakPolarHBondContact OD1-CB 3.5Å; D256-S258 PolarHBondContact OD1-N 3.45Å; D256-S258 PolarHBondContact OD1-OG 2.91Å; D256-S258 PolarHBondContact OD2-OG 3.46Å; D256-L259 WeakPolarHBondContact O-CB 3.2Å; D256-L259 WeakPolarHBondContact O-CG 3.37Å; D256-L259 PolarHBondContact O-N 3.19Å; D256-L259 VanDerWaalsContact O-N 3.1Å
257S91.7Very high96.2Very high72 Ų7234.6 Ų34.650%0.50321%0.214SC..G310 helixtrans-57.9-22.5174.763.20000114.2A255 L259 E260A255-S257 PolarHBondContact O-N 3.33Å; S257-L259 PolarHBondContact O-N 2.75Å; S257-L259 VanDerWaalsContact O-N 3.14Å; S257-E260 WeakPolarHBondContact O-CB 3.34Å; S257-E260 PolarHBondContact O-N 2.85Å; S257-E260 VanDerWaalsContact O-N 3.08Å
258S93.9Very high96.1Very high72 Ų7232 Ų3250%0.50320%0.204SC..G310 helixtrans-62.2-16.5175.375.90000113.3D256 E260 P261D256-S258 PolarHBondContact O-N 2.9Å; D256-S258 VanDerWaalsContact O-N 3.15Å; D256-S258 WeakPolarHBondContact OD1-CB 3.5Å; D256-S258 PolarHBondContact OD1-N 3.45Å; D256-S258 PolarHBondContact OD1-OG 2.91Å; D256-S258 PolarHBondContact OD2-OG 3.46Å; S258-E260 VanDerWaalsContact C-N 3.28Å; S258-E260 PolarHBondContact O-N 3.01Å; S258-P261 VanDerWaalsContact O-CD 3.3Å; S258-P261 WeakPolarHBondContact O-CD 3.5Å
259L96.4Very high96Very high30 Ų3032.1 Ų32.116%0.15721%0.207CC..G310 helixtrans-78.3-5.9175.4-61.6175.2000113.6L250 D256 S257 V262 L263 V310 V314L250-L259 HydrophobicContact CD1-CB 4.13Å; L250-L259 HydrophobicContact CD2-CB 3.8Å; L250-L259 HydrophobicContact CD2-CD1 4.26Å; D256-L259 WeakPolarHBondContact O-CB 3.2Å; D256-L259 WeakPolarHBondContact O-CG 3.37Å; D256-L259 PolarHBondContact O-N 3.19Å; D256-L259 VanDerWaalsContact O-N 3.1Å; S257-L259 PolarHBondContact O-N 2.75Å; S257-L259 VanDerWaalsContact O-N 3.14Å; L259-V262 HydrophobicContact CD2-CG2 4.36Å; L259-V262 WeakPolarHBondContact O-CA 3.19Å; L259-V262 VanDerWaalsContact O-CB 3.28Å; L259-V262 WeakPolarHBondContact O-CB 3.37Å; L259-V262 PolarHBondContact O-N 3.14Å; L259-L263 HydrophobicContact CB-CD1 4.33Å; L259-L263 PolarHBondContact O-N 3.37Å; L259-V310 HydrophobicContact CD1-CG1 4.44Å; L259-V310 HydrophobicContact CD2-CG2 4.46Å; L259-V314 HydrophobicContact CD1-CG2 3.74Å
260E96.3Very high95.8Very high30 Ų3032.1 Ų32.114%0.1421%0.208CC..Hα-helixtrans-54.1-48.6-179.2172.5-172.7169.500113A246 R247 L250 S257 S258 V262 L263 L264A246-E260 HydrophobicContact CB-CG 4.43Å; R247-E260 HydrophobicContact CG-CG 4.26Å; R247-E260 VanDerWaalsContact CG-OE2 3.26Å; R247-E260 WeakPolarHBondContact CG-OE2 3.49Å; R247-E260 IonicContact CZ-OE1 2.73Å; R247-E260 IonicContact CZ-OE2 2.79Å; R247-E260 IonicContact NE-OE1 3.34Å; R247-E260 PolarHBondContact NE-OE1 3.5Å; R247-E260 IonicContact NE-OE2 3.64Å; R247-E260 PolarHBondContact NE-OE2 2.95Å; R247-E260 IonicContact NH2-OE1 3.46Å; R247-E260 PolarHBondContact NH2-OE1 3.05Å; R247-E260 IonicContact NH2-OE2 3.67Å; R247-E260 PolarHBondContact NH2-OE2 2.91Å; L250-E260 HydrophobicContact CD1-CB 3.97Å; S257-E260 WeakPolarHBondContact O-CB 3.34Å; S257-E260 PolarHBondContact O-N 2.85Å; S257-E260 VanDerWaalsContact O-N 3.08Å; S258-E260 VanDerWaalsContact C-N 3.28Å; S258-E260 PolarHBondContact O-N 3.01Å; E260-V262 PolarHBondContact O-N 3.3Å; E260-L263 PolarHBondContact O-N 2.61Å; E260-L264 HydrophobicContact CG-CD1 3.92Å; E260-L264 HydrophobicContact CG-CG 4.34Å; E260-L264 WeakPolarHBondContact O-CB 3.45Å; E260-L264 WeakPolarHBondContact O-CG 3.3Å; E260-L264 PolarHBondContact O-N 2.87Å
261P96.9Very high95.6Very high88 Ų8836.8 Ų36.857%0.57123%0.232SC*.Hα-helixtrans-63-29.3177.2-21.835.3000113S258 A265S258-P261 VanDerWaalsContact O-CD 3.3Å; S258-P261 WeakPolarHBondContact O-CD 3.5Å; P261-A265 WeakPolarHBondContact O-CB 3.35Å; P261-A265 PolarHBondContact O-N 3.19Å; P261-A265 VanDerWaalsContact O-N 3.16Å
262V96.4Very high95.4Very high22 Ų2238.8 Ų38.813%0.13324%0.243CC..Hα-helixtrans-68.4-45.5177.4-177.40000110.2L259 E260 A265 N266 N267 H268 V310L259-V262 HydrophobicContact CD2-CG2 4.36Å; L259-V262 WeakPolarHBondContact O-CA 3.19Å; L259-V262 VanDerWaalsContact O-CB 3.28Å; L259-V262 WeakPolarHBondContact O-CB 3.37Å; L259-V262 PolarHBondContact O-N 3.14Å; E260-V262 PolarHBondContact O-N 3.3Å; V262-A265 PolarHBondContact O-N 3.5Å; V262-N266 PolarHBondContact O-N 2.86Å; V262-N267 HydrophobicContact CG1-CB 3.72Å; V262-N267 PolarHBondContact O-N 2.96Å; V262-H268 HydrophobicContact CG1-CB 4.08Å; V262-V310 HydrophobicContact CG1-CG2 4.01Å
263L96.5Very high95.1Very high0 Ų039.4 Ų39.40%025%0.247CC..Hα-helixtrans-63.2-44.5175.5-91.662.7000111.7F226 A246 W249 L250 L259 E260 A265 N266 H268F226-L263 HydrophobicContact CD2-CB 4.21Å; F226-L263 WeakPolarHBondContact CD2-O 3.45Å; F226-L263 HydrophobicContact CE2-CB 3.9Å; F226-L263 HydrophobicContact CE2-CD2 3.92Å; F226-L263 HydrophobicContact CE2-CG 3.88Å; F226-L263 HydrophobicContact CZ-CB 4.45Å; F226-L263 HydrophobicContact CZ-CD2 3.99Å; F226-L263 HydrophobicContact CZ-CG 4.43Å; A246-L263 HydrophobicContact CB-CB 4.15Å; A246-L263 HydrophobicContact CB-CD2 4.35Å; W249-L263 HydrophobicContact CB-CD2 4.47Å; L250-L263 HydrophobicContact CD1-CD2 4.39Å; L250-L263 HydrophobicContact CD2-CD1 4.14Å; L250-L263 HydrophobicContact CD2-CD2 3.91Å; L250-L263 HydrophobicContact CG-CD2 3.9Å; L259-L263 HydrophobicContact CB-CD1 4.33Å; L259-L263 PolarHBondContact O-N 3.37Å; E260-L263 PolarHBondContact O-N 2.61Å; L263-A265 PolarHBondContact O-N 3.37Å; L263-N266 PolarHBondContact O-N 2.95Å; L263-H268 WeakPolarHBondContact CA-ND1 3.25Å; L263-H268 HydrophobicContact CD1-CB 4.39Å
264L96.8Very high94.7Very high34 Ų3450.2 Ų50.218%0.17829%0.286CS..Hα-helixtrans-66.3-19.2-179.8-74.9-179.4000114.5H227 R242 P243 A246 E260H227-L264 PolarHBondContact NE2-O 3.45Å; H227-L264 VanDerWaalsContact NE2-O 3.08Å; R242-L264 HydrophobicContact CG-CD2 3.71Å; P243-L264 HydrophobicContact CB-CD1 4.11Å; P243-L264 HydrophobicContact CG-CD1 4.19Å; P243-L264 HydrophobicContact CG-CD2 4.46Å; A246-L264 HydrophobicContact CB-CD2 4.08Å; A246-L264 HydrophobicContact CB-CG 4.21Å; E260-L264 HydrophobicContact CG-CD1 3.92Å; E260-L264 HydrophobicContact CG-CG 4.34Å; E260-L264 WeakPolarHBondContact O-CB 3.45Å; E260-L264 WeakPolarHBondContact O-CG 3.3Å; E260-L264 PolarHBondContact O-N 2.87Å
265A95.6Very high94.4Very high34 Ų3450.5 Ų50.528%0.28128%0.283SS..THydrogen-bonded Turntrans-97.3-0.8174.600000112.9P261 V262 L263 N267P261-A265 WeakPolarHBondContact O-CB 3.35Å; P261-A265 PolarHBondContact O-N 3.19Å; P261-A265 VanDerWaalsContact O-N 3.16Å; V262-A265 PolarHBondContact O-N 3.5Å; L263-A265 PolarHBondContact O-N 3.37Å; A265-N267 HydrophobicContact CB-CB 4.45Å; A265-N267 PolarHBondContact O-N 3.46Å; A265-N267 VanDerWaalsContact O-N 3.13Å
266N95.6Very high94.3Very high4 Ų449.7 Ų49.72%0.02128%0.276CS..THydrogen-bonded Turntrans54.720.8-167.1-78.8-0.1000114.1L224 D225 F226 V262 L263 H268 S269 A270L224-N266 PolarHBondContact O-OD1 2.91Å; D225-N266 PolarHBondContact OD1-ND2 2.82Å; F226-N266 PolarHBondContact N-OD1 3.46Å; V262-N266 PolarHBondContact O-N 2.86Å; L263-N266 PolarHBondContact O-N 2.95Å; N266-H268 PolarHBondContact O-N 2.96Å; N266-S269 CarbonylContact O-C 3.23Å; N266-S269 PolarHBondContact O-N 2.72Å; N266-S269 PolarHBondContact O-OG 2.99Å; N266-S269 VanDerWaalsContact O-OG 3.12Å; N266-A270 PolarHBondContact O-N 3.35Å
267N94.6Very high94.3Very high44 Ų4447.8 Ų47.824%0.23527%0.27CS..G310 helixtrans-65.7-28.5179.2-84.62.4000112V262 A265 S269 G306 S307V262-N267 HydrophobicContact CG1-CB 3.72Å; V262-N267 PolarHBondContact O-N 2.96Å; A265-N267 HydrophobicContact CB-CB 4.45Å; A265-N267 PolarHBondContact O-N 3.46Å; A265-N267 VanDerWaalsContact O-N 3.13Å; N267-S269 PolarHBondContact O-N 2.8Å; N267-G306 WeakPolarHBondContact O-CA 3.35Å; N267-S307 PolarHBondContact O-N 3.4Å
268H95.1Very high94.4Very high0 Ų048.3 Ų48.30%028%0.278CS..G310 helixtrans-72.2-17.9175.765.4-57.8000113A223 V262 L263 N266 V310A223-H268 PolarHBondContact O-NE2 2.73Å; V262-H268 HydrophobicContact CG1-CB 4.08Å; L263-H268 WeakPolarHBondContact CA-ND1 3.25Å; L263-H268 HydrophobicContact CD1-CB 4.39Å; N266-H268 PolarHBondContact O-N 2.96Å; H268-V310 HydrophobicContact CB-CB 4.03Å; H268-V310 HydrophobicContact CB-CG1 3.58Å
269S94.5Very high94.5Very high20 Ų2047.5 Ų47.514%0.1428%0.276CS..G310 helixtrans-111.69.2-179.565.20000113.8L224 N266 N267 R281L224-S269 WeakPolarHBondContact O-CB 3.43Å; L224-S269 PolarHBondContact O-OG 2.88Å; N266-S269 CarbonylContact O-C 3.23Å; N266-S269 PolarHBondContact O-N 2.72Å; N266-S269 PolarHBondContact O-OG 2.99Å; N266-S269 VanDerWaalsContact O-OG 3.12Å; N267-S269 PolarHBondContact O-N 2.8Å; S269-R281 PolarHBondContact O-NH1 3.07Å
270A94.3Very high94.4Very high1 Ų147.2 Ų47.21%0.00828%0.276CS..  trans-51.8156.4175.500000113.7N266 D272 Q273 R281 E303 G306N266-A270 PolarHBondContact O-N 3.35Å; A270-D272 VanDerWaalsContact C-N 3.3Å; A270-D272 PolarHBondContact O-N 3.06Å; A270-Q273 HydrophobicContact CB-CG 4.21Å; A270-Q273 VanDerWaalsContact O-CB 3.24Å; A270-Q273 WeakPolarHBondContact O-CB 3.31Å; A270-Q273 VanDerWaalsContact O-CG 3.24Å; A270-Q273 WeakPolarHBondContact O-CG 3.39Å; A270-Q273 PolarHBondContact O-N 2.9Å; A270-Q273 VanDerWaalsContact O-N 3.11Å; A270-R281 PolarHBondContact O-NH2 3.3Å; A270-E303 CarbonylContact C-O 3.54Å; A270-E303 WeakPolarHBondContact CA-O 3.24Å; A270-E303 HydrophobicContact CB-CB 3.73Å; A270-E303 VanDerWaalsContact CB-O 3.31Å; A270-E303 WeakPolarHBondContact CB-O 3.1Å; A270-G306 VanDerWaalsContact CB-CA 3.4Å; A270-G306 VanDerWaalsContact CB-N 3.25Å
271L93.4Very high94.3Very high101 Ų10148.5 Ų48.553%0.52928%0.279SS..THydrogen-bonded Turntrans-63.1-32-173.7-67.1179.4000113.7Q273 V302 E303L271-Q273 PolarHBondContact O-N 3.11Å; L271-V302 HydrophobicContact CD1-CG1 3.7Å; L271-V302 HydrophobicContact CD2-CG1 3.78Å; L271-V302 HydrophobicContact CG-CG1 3.55Å; L271-E303 PolarHBondContact N-O 3.42Å
272D92.7Very high94.3Very high74 Ų7447.8 Ų47.840%0.39628%0.277SS..THydrogen-bonded Turntrans-73.6-6.6177.871.1-18.3000114.3A270 R274 E304 K305 G306A270-D272 VanDerWaalsContact C-N 3.3Å; A270-D272 PolarHBondContact O-N 3.06Å; D272-R274 PolarHBondContact O-N 3.05Å; D272-E304 WeakPolarHBondContact CB-O 3.4Å; D272-E304 PolarHBondContact N-O 3.27Å; D272-K305 WeakPolarHBondContact OD2-CA 3.43Å; D272-G306 PolarHBondContact OD1-N 3.11Å; D272-G306 PolarHBondContact OD2-N 2.89Å
273Q91.7Very high94.3Very high14 Ų1447.4 Ų47.47%0.06527%0.273CS..  trans-71.691.5174.8-58.4-66.5-3500110.6A270 L271 A275 I276 R281 S307A270-Q273 HydrophobicContact CB-CG 4.21Å; A270-Q273 VanDerWaalsContact O-CB 3.24Å; A270-Q273 WeakPolarHBondContact O-CB 3.31Å; A270-Q273 VanDerWaalsContact O-CG 3.24Å; A270-Q273 WeakPolarHBondContact O-CG 3.39Å; A270-Q273 PolarHBondContact O-N 2.9Å; A270-Q273 VanDerWaalsContact O-N 3.11Å; L271-Q273 PolarHBondContact O-N 3.11Å; Q273-A275 PolarHBondContact O-N 2.83Å; Q273-A275 VanDerWaalsContact O-N 3.13Å; Q273-I276 HydrophobicContact CB-CD1 4.24Å; Q273-I276 HydrophobicContact CB-CG1 4.39Å; Q273-I276 PolarHBondContact O-N 2.75Å; Q273-R281 PolarHBondContact O-NH2 2.88Å; Q273-S307 PolarHBondContact NE2-O 2.83Å
274R88.5Confident94.2Very high247 Ų24748 Ų4893%0.93228%0.276SS*.THydrogen-bonded Turntrans-59.4-24.3-177.8-63.3-175.1-177.9-179.50.3114.5D272 I276D272-R274 PolarHBondContact O-N 3.05Å; R274-I276 PolarHBondContact O-N 3.47Å
275A90.5Very high94.2Very high56 Ų5649.7 Ų49.746%0.46329%0.285SS..THydrogen-bonded Turntrans-68.6-20.317800000112.9Q273 V311Q273-A275 PolarHBondContact O-N 2.83Å; Q273-A275 VanDerWaalsContact O-N 3.13Å; A275-V311 HydrophobicContact CB-CB 3.94Å; A275-V311 HydrophobicContact CB-CG1 3.67Å
276I94.4Very high94.2Very high6 Ų648.4 Ų48.43%0.03127%0.273CS..SBendtrans-105.9104.6179.5-45.4173.4000108.6L224 Q273 R274 T280 R281 V311 I318L224-I276 HydrophobicContact CD1-CG2 4.21Å; L224-I276 HydrophobicContact CD2-CD1 4.07Å; Q273-I276 HydrophobicContact CB-CD1 4.24Å; Q273-I276 HydrophobicContact CB-CG1 4.39Å; Q273-I276 PolarHBondContact O-N 2.75Å; R274-I276 PolarHBondContact O-N 3.47Å; I276-T280 HydrophobicContact CG2-CG2 3.85Å; I276-R281 HydrophobicContact CG2-CG 3.78Å; I276-R281 PolarHBondContact O-NE 3.18Å; I276-R281 PolarHBondContact O-NH2 3.27Å; I276-V311 HydrophobicContact CD1-CG2 3.9Å; I276-V311 HydrophobicContact CG1-CG2 3.96Å; I276-I318 HydrophobicContact CG1-CG2 4.03Å
277S94.1Very high94.3Very high55 Ų5550.8 Ų50.839%0.38529%0.288SS..  trans-65.9158.4-179.577.40000112.3A279 T280 R281S277-A279 PolarHBondContact O-N 3.38Å; S277-A279 PolarHBondContact OG-N 3.47Å; S277-T280 WeakPolarHBondContact O-CB 3.48Å; S277-T280 PolarHBondContact O-N 3.32Å; S277-T280 VanDerWaalsContact O-N 3.15Å; S277-T280 PolarHBondContact OG-N 2.97Å; S277-T280 PolarHBondContact OG-OG1 3.29Å; S277-R281 WeakPolarHBondContact O-CG 3.29Å; S277-R281 PolarHBondContact O-N 3.36Å
278A94.3Very high94.3Very high82 Ų8252 Ų5268%0.67830%0.304SS*.Hα-helixtrans-57.6-35.6171.400000112R281 S282A278-R281 PolarHBondContact O-N 2.91Å; A278-S282 PolarHBondContact O-N 3.04Å
279A95.1Very high94.4Very high55 Ų5553 Ų5346%0.45531%0.309SS..Hα-helixtrans-61.6-48.7174.700000111S277 R281 S282 K283S277-A279 PolarHBondContact O-N 3.38Å; S277-A279 PolarHBondContact OG-N 3.47Å; A279-R281 VanDerWaalsContact C-N 3.32Å; A279-R281 PolarHBondContact O-N 2.8Å; A279-S282 PolarHBondContact O-N 3.38Å; A279-S282 PolarHBondContact O-OG 3.48Å; A279-K283 WeakPolarHBondContact O-CG 3.32Å; A279-K283 PolarHBondContact O-N 2.75Å
280T95.7Very high94.6Very high25 Ų2552.2 Ų52.215%0.15330%0.304CS..Hα-helixtrans-57-44.7175.6-50.90000111.6L224 I276 S277 S282 K283 L326L224-T280 HydrophobicContact CD1-CG2 4.23Å; I276-T280 HydrophobicContact CG2-CG2 3.85Å; S277-T280 WeakPolarHBondContact O-CB 3.48Å; S277-T280 PolarHBondContact O-N 3.32Å; S277-T280 VanDerWaalsContact O-N 3.15Å; S277-T280 PolarHBondContact OG-N 2.97Å; S277-T280 PolarHBondContact OG-OG1 3.29Å; T280-S282 VanDerWaalsContact C-N 3.35Å; T280-S282 PolarHBondContact O-N 3.31Å; T280-K283 WeakPolarHBondContact O-CB 3.45Å; T280-K283 PolarHBondContact O-N 3.23Å; T280-L326 HydrophobicContact CG2-CD1 4.25Å; T280-L326 HydrophobicContact CG2-CD2 4.06Å
281R94.6Very high94.5Very high56 Ų5655.2 Ų55.221%0.21132%0.323CS..Hα-helixtrans-63.6-39.6178.5-65.7177.8-166.1-66.813.4112.8S269 A270 Q273 I276 S277 A278 A279 K283 L284S269-R281 PolarHBondContact O-NH1 3.07Å; A270-R281 PolarHBondContact O-NH2 3.3Å; Q273-R281 PolarHBondContact O-NH2 2.88Å; I276-R281 HydrophobicContact CG2-CG 3.78Å; I276-R281 PolarHBondContact O-NE 3.18Å; I276-R281 PolarHBondContact O-NH2 3.27Å; S277-R281 WeakPolarHBondContact O-CG 3.29Å; S277-R281 PolarHBondContact O-N 3.36Å; A278-R281 PolarHBondContact O-N 2.91Å; A279-R281 VanDerWaalsContact C-N 3.32Å; A279-R281 PolarHBondContact O-N 2.8Å; R281-K283 PolarHBondContact O-N 2.75Å; R281-K283 VanDerWaalsContact O-N 3.15Å; R281-L284 PolarHBondContact O-N 3.06Å
282S95.2Very high94.5Very high74 Ų7453.4 Ų53.452%0.51732%0.323SS..Hα-helixtrans-60.3-26.4-179.777.30000112.5A278 A279 T280 L284 N285A278-S282 PolarHBondContact O-N 3.04Å; A279-S282 PolarHBondContact O-N 3.38Å; A279-S282 PolarHBondContact O-OG 3.48Å; T280-S282 VanDerWaalsContact C-N 3.35Å; T280-S282 PolarHBondContact O-N 3.31Å; S282-L284 PolarHBondContact O-N 2.85Å; S282-N285 WeakPolarHBondContact O-CB 3.35Å; S282-N285 PolarHBondContact O-N 3.21Å
283K96.9Very high94.5Very high13 Ų1357 Ų576%0.05734%0.337CS..THydrogen-bonded Turntrans-68.2-20.8178.7-56.3179.3-175.91700113.7A279 T280 R281 L289 L326 E328 R358A279-K283 WeakPolarHBondContact O-CG 3.32Å; A279-K283 PolarHBondContact O-N 2.75Å; T280-K283 WeakPolarHBondContact O-CB 3.45Å; T280-K283 PolarHBondContact O-N 3.23Å; R281-K283 PolarHBondContact O-N 2.75Å; R281-K283 VanDerWaalsContact O-N 3.15Å; K283-L289 WeakPolarHBondContact O-CD1 3.42Å; K283-L326 HydrophobicContact CB-CD2 4.24Å; K283-L326 HydrophobicContact CD-CB 4.47Å; K283-L326 WeakPolarHBondContact CD-O 3.12Å; K283-L326 WeakPolarHBondContact CE-O 3.47Å; K283-L326 PolarHBondContact NZ-O 3.13Å; K283-E328 VanDerWaalsContact CE-OE2 3.3Å; K283-E328 WeakPolarHBondContact CE-OE2 3.49Å; K283-E328 IonicContact NZ-OE1 2.8Å; K283-E328 PolarHBondContact NZ-OE1 3.19Å; K283-E328 IonicContact NZ-OE2 3.9Å; K283-E328 PolarHBondContact NZ-OE2 2.97Å; K283-R358 VanDerWaalsContact CA-NH1 3.3Å
284L95.6Very high94.5Very high13 Ų1358.7 Ų58.77%0.06834%0.343CS..THydrogen-bonded Turntrans-108.815.4178-56.3-176000112.5Q222 L224 R281 S282 W286 L325 L326Q222-L284 HydrophobicContact CB-CD1 4.21Å; Q222-L284 HydrophobicContact CB-CD2 3.75Å; Q222-L284 HydrophobicContact CG-CD1 4.44Å; Q222-L284 HydrophobicContact CG-CD2 3.92Å; L224-L284 HydrophobicContact CB-CD1 3.53Å; L224-L284 HydrophobicContact CD1-CD1 3.81Å; L224-L284 HydrophobicContact CG-CD1 4.05Å; R281-L284 PolarHBondContact O-N 3.06Å; S282-L284 PolarHBondContact O-N 2.85Å; L284-W286 PolarHBondContact O-N 3.42Å; L284-L325 HydrophobicContact CD2-CB 4.26Å; L284-L325 HydrophobicContact CD2-CD2 3.37Å; L284-L325 HydrophobicContact CD2-CG 3.62Å; L284-L326 HydrophobicContact CD1-CD2 3.95Å; L284-L326 HydrophobicContact CD2-CD2 3.86Å; L284-L326 HydrophobicContact CG-CD2 3.74Å
285N95.8Very high94.7Very high69 Ų6949.6 Ų49.637%0.36931%0.31SS..  trans-71.281.2179.8-176.310000110.9S282 T287 A288 L289S282-N285 WeakPolarHBondContact O-CB 3.35Å; S282-N285 PolarHBondContact O-N 3.21Å; N285-T287 PolarHBondContact O-N 2.73Å; N285-T287 VanDerWaalsContact O-N 3.09Å; N285-T287 PolarHBondContact OD1-N 3.05Å; N285-T287 PolarHBondContact OD1-OG1 3.1Å; N285-A288 PolarHBondContact O-N 2.69Å; N285-L289 WeakPolarHBondContact O-CG 3.39Å; N285-L289 PolarHBondContact O-N 3.44Å
286W96.8Very high94.5Very high8 Ų855.3 Ų55.33%0.0333%0.325CS..Hα-helixtrans-60.8-22.6-178.663-107.7000112.5D225 P229 L284 A288 L289 L290 K295 F298 P300 M354D225-W286 VanDerWaalsContact OD2-CD1 3.29Å; D225-W286 PolarHBondContact OD2-NE1 3.21Å; P229-W286 HydrophobicContact CG-CD2 4.13Å; P229-W286 HydrophobicContact CG-CE3 3.78Å; P229-W286 HydrophobicContact CG-CH2 4.15Å; P229-W286 HydrophobicContact CG-CZ2 4.41Å; P229-W286 HydrophobicContact CG-CZ3 3.82Å; L284-W286 PolarHBondContact O-N 3.42Å; W286-A288 PolarHBondContact O-N 3.27Å; W286-L289 PolarHBondContact O-N 3.32Å; W286-L290 HydrophobicContact CB-CD1 3.8Å; W286-L290 HydrophobicContact CB-CG 4.01Å; W286-L290 HydrophobicContact CE3-CD1 4.31Å; W286-L290 VanDerWaalsContact O-CB 3.29Å; W286-L290 WeakPolarHBondContact O-CB 3.49Å; W286-L290 WeakPolarHBondContact O-CG 3.49Å; W286-L290 PolarHBondContact O-N 3.15Å; W286-K295 HydrophobicContact CE3-CD 4.38Å; W286-K295 HydrophobicContact CE3-CG 4.06Å; W286-K295 HydrophobicContact CZ3-CB 4.21Å; W286-K295 HydrophobicContact CZ3-CD 4.38Å; W286-K295 HydrophobicContact CZ3-CG 3.89Å; W286-F298 HydrophobicContact CH2-CB 4.08Å; W286-P300 HydrophobicContact CH2-CG 4.05Å; W286-P300 HydrophobicContact CZ2-CB 4.12Å; W286-P300 HydrophobicContact CZ2-CG 3.67Å; W286-P300 VanDerWaalsContact CZ2-N 3.3Å; W286-M354 HydrophobicContact CB-SD 3.65Å
287T95.8Very high94.4Very high54 Ų5461.6 Ų61.633%0.33136%0.358SS..Hα-helixtrans-65.3-29.8175.771.40000112.5N285 K295 P300N285-T287 PolarHBondContact O-N 2.73Å; N285-T287 VanDerWaalsContact O-N 3.09Å; N285-T287 PolarHBondContact OD1-N 3.05Å; N285-T287 PolarHBondContact OD1-OG1 3.1Å; T287-K295 VanDerWaalsContact O-CD 3.24Å; T287-K295 WeakPolarHBondContact O-CD 3.31Å; T287-K295 PolarHBondContact O-NZ 2.87Å; T287-P300 HydrophobicContact CG2-CG 3.49Å; T287-P300 VanDerWaalsContact CG2-CG 3.49Å
288A95.8Very high94.4Very high69 Ų6961.1 Ų61.157%0.5735%0.349SS*.Hα-helixtrans-90.5-35.6174.700000112.2N285 W286N285-A288 PolarHBondContact O-N 2.69Å; W286-A288 PolarHBondContact O-N 3.27Å
289L97Very high94.4Very high20 Ų2065.6 Ų65.611%0.10535%0.353CS..Hα-helixtrans-86.4-24.6-171.1-67169.6000114.5K283 N285 W286 M354 R357 R358K283-L289 WeakPolarHBondContact O-CD1 3.42Å; N285-L289 WeakPolarHBondContact O-CG 3.39Å; N285-L289 PolarHBondContact O-N 3.44Å; W286-L289 PolarHBondContact O-N 3.32Å; L289-M354 HydrophobicContact CB-CB 4.32Å; L289-M354 HydrophobicContact CB-CG 3.8Å; L289-M354 HydrophobicContact CD1-CB 4.1Å; L289-M354 HydrophobicContact CD1-CG 4.04Å; L289-M354 HydrophobicContact CD1-SD 4.11Å; L289-R357 HydrophobicContact CD2-CB 4.36Å; L289-R357 HydrophobicContact CD2-CG 3.88Å; L289-R358 HydrophobicContact CD1-CG 4.21Å; L289-R358 HydrophobicContact CD2-CG 3.77Å
290L97.6Very high94.3Very high5 Ų566.2 Ų66.23%0.02635%0.353CS..SBendtrans-94.7149.4-179.6-60.3-179.7000112.8P229 W286 R294 K295 D350 L353 M354P229-L290 HydrophobicContact CG-CD1 3.91Å; W286-L290 HydrophobicContact CB-CD1 3.8Å; W286-L290 HydrophobicContact CB-CG 4.01Å; W286-L290 HydrophobicContact CE3-CD1 4.31Å; W286-L290 VanDerWaalsContact O-CB 3.29Å; W286-L290 WeakPolarHBondContact O-CB 3.49Å; W286-L290 WeakPolarHBondContact O-CG 3.49Å; W286-L290 PolarHBondContact O-N 3.15Å; L290-R294 HydrophobicContact CB-CB 4.45Å; L290-K295 HydrophobicContact CB-CD 4.32Å; L290-K295 HydrophobicContact CB-CG 4.11Å; L290-K295 VanDerWaalsContact O-CE 3.23Å; L290-K295 WeakPolarHBondContact O-CE 3.19Å; L290-K295 PolarHBondContact O-NZ 3.24Å; L290-D350 HydrophobicContact CD1-CB 4.03Å; L290-D350 WeakPolarHBondContact CD1-OD2 3.48Å; L290-D350 HydrophobicContact CD2-CB 4.16Å; L290-L353 HydrophobicContact CD2-CB 3.73Å; L290-L353 HydrophobicContact CD2-CD1 4.2Å; L290-M354 HydrophobicContact CD2-CG 3.91Å; L290-M354 HydrophobicContact CG-CG 4.35Å
291P94.1Very high94.1Very high64 Ų6467.1 Ų67.142%0.41636%0.358SS..  trans-58155.4171.2-23.633.9000113.4E293 R294 K295P291-E293 VanDerWaalsContact C-N 3.26Å; P291-E293 VanDerWaalsContact CB-OE2 3.28Å; P291-E293 WeakPolarHBondContact CB-OE2 3.48Å; P291-E293 PolarHBondContact O-N 3.34Å; P291-R294 PolarHBondContact O-N 3.04Å; P291-K295 WeakPolarHBondContact O-CE 3.31Å; P291-K295 WeakPolarHBondContact O-CG 3.26Å
292A93.5Very high93.9Very high63 Ų6368.6 Ų68.652%0.52137%0.373SS..Hα-helixtrans-58.1-38-176.600000113R294 K295 K296A292-R294 VanDerWaalsContact C-N 3.28Å; A292-R294 PolarHBondContact O-N 3.02Å; A292-K295 PolarHBondContact O-N 3.28Å; A292-K295 VanDerWaalsContact O-N 3.13Å; A292-K296 PolarHBondContact O-N 3.12Å
293E92Very high93.8Very high148 Ų14868.5 Ų68.569%0.69236%0.364SS*.Hα-helixtrans-61.8-38-178.3-5971-152.900111.2P291 K295P291-E293 VanDerWaalsContact C-N 3.26Å; P291-E293 VanDerWaalsContact CB-OE2 3.28Å; P291-E293 WeakPolarHBondContact CB-OE2 3.48Å; P291-E293 PolarHBondContact O-N 3.34Å; E293-K295 VanDerWaalsContact C-N 3.29Å; E293-K295 PolarHBondContact O-N 3.15Å
294R92.3Very high93.5Very high50 Ų5075 Ų7519%0.18940%0.395CS..Hα-helixtrans-77.7-14.1-179.1-58.2-64.1179.8-173.60.5112.9P229 L290 P291 A292 E344 H370 E372P229-R294 WeakPolarHBondContact CB-O 3.43Å; L290-R294 HydrophobicContact CB-CB 4.45Å; P291-R294 PolarHBondContact O-N 3.04Å; A292-R294 VanDerWaalsContact C-N 3.28Å; A292-R294 PolarHBondContact O-N 3.02Å; R294-E344 IonicContact CZ-OE2 3.64Å; R294-E344 IonicContact NH1-OE1 3.99Å; R294-E344 PolarHBondContact NH1-OE1 3.13Å; R294-E344 IonicContact NH1-OE2 2.74Å; R294-E344 PolarHBondContact NH1-OE2 2.66Å; R294-E344 IonicContact NH2-OE2 2.98Å; R294-H370 PolarHBondContact NH2-NE2 2.8Å; R294-H370 VanDerWaalsContact NH2-NE2 3.14Å; R294-E372 IonicContact NH2-OE1 3.14Å; R294-E372 PolarHBondContact NH2-OE1 3.46Å; R294-E372 VanDerWaalsContact NH2-OE1 3.11Å; R294-E372 IonicContact NH2-OE2 3.17Å; R294-E372 PolarHBondContact NH2-OE2 2.86Å
295K92.1Very high93.4Very high57 Ų5782.1 Ų82.125%0.24843%0.426CS..Hα-helixtrans-99.3-19.6-178.4-61.4178.9-62.5-153.90113.7W286 T287 L290 P291 A292 E293 N297 F298W286-K295 HydrophobicContact CE3-CD 4.38Å; W286-K295 HydrophobicContact CE3-CG 4.06Å; W286-K295 HydrophobicContact CZ3-CB 4.21Å; W286-K295 HydrophobicContact CZ3-CD 4.38Å; W286-K295 HydrophobicContact CZ3-CG 3.89Å; T287-K295 VanDerWaalsContact O-CD 3.24Å; T287-K295 WeakPolarHBondContact O-CD 3.31Å; T287-K295 PolarHBondContact O-NZ 2.87Å; L290-K295 HydrophobicContact CB-CD 4.32Å; L290-K295 HydrophobicContact CB-CG 4.11Å; L290-K295 VanDerWaalsContact O-CE 3.23Å; L290-K295 WeakPolarHBondContact O-CE 3.19Å; L290-K295 PolarHBondContact O-NZ 3.24Å; P291-K295 WeakPolarHBondContact O-CE 3.31Å; P291-K295 WeakPolarHBondContact O-CG 3.26Å; A292-K295 PolarHBondContact O-N 3.28Å; A292-K295 VanDerWaalsContact O-N 3.13Å; E293-K295 VanDerWaalsContact C-N 3.29Å; E293-K295 PolarHBondContact O-N 3.15Å; K295-N297 PolarHBondContact O-N 3.37Å; K295-F298 PolarHBondContact O-N 3.08Å
296K87.1Confident93.2Very high176 Ų17679.6 Ų79.677%0.76542%0.416SS*.THydrogen-bonded Turntrans-49.1-35.4-164.3-172.5176.7178.4179.20115.4A292A292-K296 PolarHBondContact O-N 3.12Å
297N91.4Very high92.8Very high137 Ų13780.8 Ų80.873%0.73343%0.426SS*.THydrogen-bonded Turntrans-112.79.3-174.4-59.6-32.5000113.7K295K295-N297 PolarHBondContact O-N 3.37Å
298F94.8Very high92.3Very high46 Ų4684 Ų8420%0.20245%0.447CS..  trans-123.8146.4-173.2-62-80.5000110.9P229 Q232 Q233 W286 K295P229-F298 HydrophobicContact CB-CB 4.16Å; P229-F298 HydrophobicContact CB-CD1 4.3Å; P229-F298 HydrophobicContact CB-CD2 3.55Å; P229-F298 HydrophobicContact CB-CE2 3.97Å; P229-F298 HydrophobicContact CB-CG 3.73Å; P229-F298 HydrophobicContact CG-CB 3.89Å; P229-F298 HydrophobicContact CG-CD2 4.14Å; P229-F298 HydrophobicContact CG-CG 4.05Å; Q232-F298 HydrophobicContact CB-CD1 3.99Å; Q232-F298 HydrophobicContact CB-CE1 3.71Å; Q233-F298 HydrophobicContact CB-CE1 4.45Å; Q233-F298 HydrophobicContact CB-CZ 3.86Å; W286-F298 HydrophobicContact CH2-CB 4.08Å; K295-F298 PolarHBondContact O-N 3.08Å
299K92.4Very high91.9Very high175 Ų17583 Ų8376%0.76144%0.444SS*.  trans-124.6146.6173.1-64.5-176.4-178.2-179.70109V301K299-V301 PolarHBondContact O-N 3.24Å
300P93.3Very high91.6Very high68 Ų6882.4 Ų82.444%0.44244%0.441SS..  trans-55.2131.9172.5-2736.3000111.1W286 T287 V302W286-P300 HydrophobicContact CH2-CG 4.05Å; W286-P300 HydrophobicContact CZ2-CB 4.12Å; W286-P300 HydrophobicContact CZ2-CG 3.67Å; W286-P300 VanDerWaalsContact CZ2-N 3.3Å; T287-P300 HydrophobicContact CG2-CG 3.49Å; T287-P300 VanDerWaalsContact CG2-CG 3.49Å; P300-V302 HydrophobicContact CB-CG2 3.95Å
301V92.4Very high91.3Very high45 Ų4582.3 Ų82.327%0.27344%0.441SS..  trans-96.5108.2168.5-179.80000106.3H227 K299H227-V301 HydrophobicContact CB-CB 3.75Å; H227-V301 HydrophobicContact CB-CG2 3.91Å; K299-V301 PolarHBondContact O-N 3.24Å
302V89.8Confident91.1Very high87 Ų8782.4 Ų82.453%0.52745%0.453SS..  trans-125.7112-175.7-178.80000108L271 P300L271-V302 HydrophobicContact CD1-CG1 3.7Å; L271-V302 HydrophobicContact CD2-CG1 3.78Å; L271-V302 HydrophobicContact CG-CG1 3.55Å; P300-V302 HydrophobicContact CB-CG2 3.95Å
303E92.6Very high91.1Very high71 Ų7183 Ų8333%0.33246%0.458SS..  trans-81.1130.6175.5-64.1-57.3145.700110A270 L271A270-E303 CarbonylContact C-O 3.54Å; A270-E303 WeakPolarHBondContact CA-O 3.24Å; A270-E303 HydrophobicContact CB-CB 3.73Å; A270-E303 VanDerWaalsContact CB-O 3.31Å; A270-E303 WeakPolarHBondContact CB-O 3.1Å; L271-E303 PolarHBondContact N-O 3.42Å
304E92.5Very high91.3Very high149 Ų14976.4 Ų76.470%0.69643%0.428SS*.SBendtrans-73.2-39.8175.8-68.4-173176.100111.4D272D272-E304 WeakPolarHBondContact CB-O 3.4Å; D272-E304 PolarHBondContact N-O 3.27Å
305K93.4Very high91.4Very high164 Ų16478 Ų7871%0.71345%0.445SS*.SBendtrans-127.9121.4-176.2-68.1-174.7-179.1177.40111.6D272D272-K305 WeakPolarHBondContact OD2-CA 3.43Å
306G90.8Very high91.7Very high16 Ų1675.6 Ų75.617%0.16544%0.436CS..  trans-103.8-176.7-176.100000114.8N267 A270 D272 P308N267-G306 WeakPolarHBondContact O-CA 3.35Å; A270-G306 VanDerWaalsContact CB-CA 3.4Å; A270-G306 VanDerWaalsContact CB-N 3.25Å; D272-G306 PolarHBondContact OD1-N 3.11Å; D272-G306 PolarHBondContact OD2-N 2.89Å; G306-P308 WeakPolarHBondContact O-CD 3.38Å
307S89.4Confident92.2Very high33 Ų3367.2 Ų67.223%0.23140%0.4CS..  trans-74.3119167.7-630000108.7N267 Q273 V310N267-S307 PolarHBondContact O-N 3.4Å; Q273-S307 PolarHBondContact NE2-O 2.83Å; S307-V310 WeakPolarHBondContact O-CG2 3.36Å
308P84.9Confident92.4Very high120 Ų12063.1 Ų63.178%0.77938%0.377SS*.THydrogen-bonded Turntrans-67.8142.7-173.927.1-34.3000111.3G306 V310G306-P308 WeakPolarHBondContact O-CD 3.38Å; P308-V310 VanDerWaalsContact C-N 3.34Å; P308-V310 PolarHBondContact O-N 2.87Å
309G86.2Confident92.6Very high49 Ų4962.6 Ų62.651%0.50538%0.377SS..THydrogen-bonded Turntrans81.40.6169.200000116.2V311 G312 A313G309-V311 PolarHBondContact O-N 2.94Å; G309-G312 PolarHBondContact O-N 3.3Å; G309-G312 VanDerWaalsContact O-N 3.13Å; G309-A313 PolarHBondContact O-N 2.9Å
310V91.7Very high92.8Very high7 Ų757.2 Ų57.24%0.04236%0.358CS..Hα-helixtrans-61.1-47.7-176.91790000112.1L259 V262 H268 S307 P308 G312 A313 V314 L317L259-V310 HydrophobicContact CD1-CG1 4.44Å; L259-V310 HydrophobicContact CD2-CG2 4.46Å; V262-V310 HydrophobicContact CG1-CG2 4.01Å; H268-V310 HydrophobicContact CB-CB 4.03Å; H268-V310 HydrophobicContact CB-CG1 3.58Å; S307-V310 WeakPolarHBondContact O-CG2 3.36Å; P308-V310 VanDerWaalsContact C-N 3.34Å; P308-V310 PolarHBondContact O-N 2.87Å; V310-G312 VanDerWaalsContact C-N 3.25Å; V310-G312 PolarHBondContact O-N 3.35Å; V310-A313 PolarHBondContact O-N 2.75Å; V310-A313 VanDerWaalsContact O-N 3.16Å; V310-V314 PolarHBondContact O-N 3.09Å; V310-L317 HydrophobicContact CG1-CD1 4.02Å
311V90.6Very high93.1Very high4 Ų458 Ų582%0.02435%0.352CS..Hα-helixtrans-66.8-29.1177.6-178.80000111.8A275 I276 G309 V314 P315 I318A275-V311 HydrophobicContact CB-CB 3.94Å; A275-V311 HydrophobicContact CB-CG1 3.67Å; I276-V311 HydrophobicContact CD1-CG2 3.9Å; I276-V311 HydrophobicContact CG1-CG2 3.96Å; G309-V311 PolarHBondContact O-N 2.94Å; V311-V314 CarbonylContact O-C 3.33Å; V311-V314 VanDerWaalsContact O-C 3.23Å; V311-P315 VanDerWaalsContact O-CA 3.24Å; V311-P315 WeakPolarHBondContact O-CA 3.36Å; V311-P315 VanDerWaalsContact O-N 3.14Å; V311-I318 HydrophobicContact CG1-CD1 3.73Å; V311-I318 HydrophobicContact CG1-CG1 3.94Å; V311-I318 HydrophobicContact CG1-CG2 4.13Å
312G90.5Very high93.4Very high65 Ų6555.8 Ų55.867%0.6734%0.339SS*.Hα-helixtrans-70-36.9172.900000112.7G309 V310G309-G312 PolarHBondContact O-N 3.3Å; G309-G312 VanDerWaalsContact O-N 3.13Å; V310-G312 VanDerWaalsContact C-N 3.25Å; V310-G312 PolarHBondContact O-N 3.35Å
313A92.4Very high93.8Very high77 Ų7751.7 Ų51.764%0.63631%0.314SS*.Hα-helixtrans-74.8-30.7175.200000112.6G309 V310G309-A313 PolarHBondContact O-N 2.9Å; V310-A313 PolarHBondContact O-N 2.75Å; V310-A313 VanDerWaalsContact O-N 3.16Å
314V96.3Very high94.1Very high8 Ų848.3 Ų48.35%0.04830%0.298CS..  trans-130.672.6-177.9-165.40000109.8L253 A255 L259 V310 V311 G316 L317L253-V314 HydrophobicContact CB-CG1 3.78Å; L253-V314 HydrophobicContact CD1-CG1 3.68Å; L253-V314 HydrophobicContact CG-CG1 4.36Å; A255-V314 HydrophobicContact CB-CB 4.4Å; A255-V314 HydrophobicContact CB-CG1 3.81Å; A255-V314 HydrophobicContact CB-CG2 3.6Å; L259-V314 HydrophobicContact CD1-CG2 3.74Å; V310-V314 PolarHBondContact O-N 3.09Å; V311-V314 CarbonylContact O-C 3.33Å; V311-V314 VanDerWaalsContact O-C 3.23Å; V314-G316 PolarHBondContact O-N 3.38Å; V314-G316 VanDerWaalsContact O-N 3.14Å; V314-L317 HydrophobicContact CB-CD1 3.86Å; V314-L317 HydrophobicContact CB-CG 4.09Å; V314-L317 HydrophobicContact CG1-CD1 4.19Å; V314-L317 HydrophobicContact CG1-CG 3.89Å; V314-L317 WeakPolarHBondContact O-CB 3.29Å; V314-L317 WeakPolarHBondContact O-CG 3.48Å; V314-L317 PolarHBondContact O-N 3.25Å; V314-L317 VanDerWaalsContact O-N 3.14Å
315P95.7Very high94.4Very high84 Ų8441.2 Ų41.255%0.54527%0.265SS..G310 helixtrans-61.9-24.1-176.623.9-34000113.2V311 L317 I318 D319V311-P315 VanDerWaalsContact O-CA 3.24Å; V311-P315 WeakPolarHBondContact O-CA 3.36Å; V311-P315 VanDerWaalsContact O-N 3.14Å; P315-L317 PolarHBondContact O-N 3.21Å; P315-L317 VanDerWaalsContact O-N 3.1Å; P315-I318 WeakPolarHBondContact O-CG1 3.23Å; P315-I318 PolarHBondContact O-N 3.39Å; P315-I318 VanDerWaalsContact O-N 3.15Å; P315-D319 PolarHBondContact O-N 3.49Å
316G97.3Very high94.6Very high7 Ų733.4 Ų33.47%0.07223%0.231CC..G310 helixtrans-59.4-17.9175.600000115V314 I318 D319V314-G316 PolarHBondContact O-N 3.38Å; V314-G316 VanDerWaalsContact O-N 3.14Å; G316-I318 PolarHBondContact O-N 3.27Å; G316-D319 PolarHBondContact O-N 3.25Å
317L96.9Very high95Very high0 Ų032.8 Ų32.80%022%0.224CC..G310 helixtrans-62-23.9175.1-70.8168.7000113.3A223 L224 L253 V310 V314 P315A223-L317 HydrophobicContact CB-CD2 3.75Å; L224-L317 HydrophobicContact CD2-CB 4.27Å; L224-L317 WeakPolarHBondContact CD2-O 3.3Å; L253-L317 HydrophobicContact CD1-CD2 3.79Å; L253-L317 HydrophobicContact CD1-CG 4Å; V310-L317 HydrophobicContact CG1-CD1 4.02Å; V314-L317 HydrophobicContact CB-CD1 3.86Å; V314-L317 HydrophobicContact CB-CG 4.09Å; V314-L317 HydrophobicContact CG1-CD1 4.19Å; V314-L317 HydrophobicContact CG1-CG 3.89Å; V314-L317 WeakPolarHBondContact O-CB 3.29Å; V314-L317 WeakPolarHBondContact O-CG 3.48Å; V314-L317 PolarHBondContact O-N 3.25Å; V314-L317 VanDerWaalsContact O-N 3.14Å; P315-L317 PolarHBondContact O-N 3.21Å; P315-L317 VanDerWaalsContact O-N 3.1Å
318I97Very high95.4Very high51 Ų5135.8 Ų35.826%0.26224%0.235SC..G310 helixtrans-120.74.6178.661.3168.6000113.1L224 I276 V311 P315 G316 V320L224-I318 HydrophobicContact CD1-CG2 4.15Å; L224-I318 HydrophobicContact CD2-CG2 3.95Å; I276-I318 HydrophobicContact CG1-CG2 4.03Å; V311-I318 HydrophobicContact CG1-CD1 3.73Å; V311-I318 HydrophobicContact CG1-CG1 3.94Å; V311-I318 HydrophobicContact CG1-CG2 4.13Å; P315-I318 WeakPolarHBondContact O-CG1 3.23Å; P315-I318 PolarHBondContact O-N 3.39Å; P315-I318 VanDerWaalsContact O-N 3.15Å; G316-I318 PolarHBondContact O-N 3.27Å; I318-V320 PolarHBondContact O-N 2.96Å
319D98.2Very high96Very high35 Ų3532.8 Ų32.819%0.18721%0.21CC..  trans-78121.1178.7-167.8-40.2000109.4F152 P315 G316 R321 A322 A323F152-D319 HydrophobicContact CE1-CB 4.24Å; F152-D319 HydrophobicContact CZ-CB 4.13Å; P315-D319 PolarHBondContact O-N 3.49Å; G316-D319 PolarHBondContact O-N 3.25Å; D319-R321 PolarHBondContact O-N 3.26Å; D319-R321 VanDerWaalsContact O-N 3.15Å; D319-R321 VanDerWaalsContact OD1-CB 3.31Å; D319-R321 WeakPolarHBondContact OD1-CB 2.9Å; D319-R321 WeakPolarHBondContact OD1-CG 3.2Å; D319-R321 IonicContact OD1-CZ 2.75Å; D319-R321 PolarHBondContact OD1-N 3.25Å; D319-R321 IonicContact OD1-NE 3.26Å; D319-R321 PolarHBondContact OD1-NE 2.88Å; D319-R321 IonicContact OD1-NH2 3.09Å; D319-R321 IonicContact OD2-CZ 3.79Å; D319-R321 IonicContact OD2-NE 3.33Å; D319-R321 PolarHBondContact OD2-NE 3.28Å; D319-R321 IonicContact OD2-NH2 2.87Å; D319-R321 PolarHBondContact OD2-NH2 2.87Å; D319-A322 HydrophobicContact CB-CB 4.49Å; D319-A322 PolarHBondContact O-N 2.86Å; D319-A323 PolarHBondContact O-N 3.44Å
320V97.9Very high96.6Very high61 Ų6137 Ų3737%0.3722%0.217SC..THydrogen-bonded Turntrans-60.9-25.1-177.3-61.70000112.9I318 A322 A323 P324 L326I318-V320 PolarHBondContact O-N 2.96Å; V320-A322 VanDerWaalsContact C-N 3.28Å; V320-A322 PolarHBondContact O-N 3.36Å; V320-A323 CarbonylContact O-C 3.49Å; V320-P324 WeakPolarHBondContact O-CA 3.48Å; V320-L326 HydrophobicContact CG1-CB 4.09Å
321R98.6Very high96.9Very high84 Ų8438.1 Ų38.132%0.31722%0.224SC..THydrogen-bonded Turntrans-70.7-26.9176.4-57.8173.1-65.9167.71.7112.2F152 Y156 D319F152-R321 HydrophobicContact CE2-CB 3.82Å; F152-R321 HydrophobicContact CZ-CB 3.92Å; Y156-R321 HydrophobicContact CD1-CB 4.25Å; Y156-R321 HydrophobicContact CD2-CB 4.07Å; Y156-R321 HydrophobicContact CE1-CB 4.12Å; Y156-R321 HydrophobicContact CE1-CG 3.99Å; Y156-R321 HydrophobicContact CE2-CB 3.92Å; Y156-R321 HydrophobicContact CE2-CG 4.21Å; Y156-R321 HydrophobicContact CG-CB 4.23Å; D319-R321 PolarHBondContact O-N 3.26Å; D319-R321 VanDerWaalsContact O-N 3.15Å; D319-R321 VanDerWaalsContact OD1-CB 3.31Å; D319-R321 WeakPolarHBondContact OD1-CB 2.9Å; D319-R321 WeakPolarHBondContact OD1-CG 3.2Å; D319-R321 IonicContact OD1-CZ 2.75Å; D319-R321 PolarHBondContact OD1-N 3.25Å; D319-R321 IonicContact OD1-NE 3.26Å; D319-R321 PolarHBondContact OD1-NE 2.88Å; D319-R321 IonicContact OD1-NH2 3.09Å; D319-R321 IonicContact OD2-CZ 3.79Å; D319-R321 IonicContact OD2-NE 3.33Å; D319-R321 PolarHBondContact OD2-NE 3.28Å; D319-R321 IonicContact OD2-NH2 2.87Å; D319-R321 PolarHBondContact OD2-NH2 2.87Å
322A98.6Very high97.3Very high0 Ų037.9 Ų37.90%022%0.223CC..THydrogen-bonded Turntrans-93.1-38.7174.500000111.5F152 N192 W249 Y252 L253 D319 V320 P324F152-A322 HydrophobicContact CD1-CB 4.5Å; F152-A322 HydrophobicContact CD2-CB 3.87Å; F152-A322 HydrophobicContact CE1-CB 4.33Å; F152-A322 HydrophobicContact CE2-CB 3.69Å; F152-A322 HydrophobicContact CG-CB 4.28Å; F152-A322 HydrophobicContact CZ-CB 3.93Å; N192-A322 PolarHBondContact ND2-O 2.96Å; N192-A322 PolarHBondContact OD1-O 2.78Å; W249-A322 WeakPolarHBondContact CH2-O 3.34Å; W249-A322 HydrophobicContact CZ3-CB 4.2Å; Y252-A322 HydrophobicContact CE1-CB 3.95Å; L253-A322 HydrophobicContact CD2-CB 4.03Å; D319-A322 HydrophobicContact CB-CB 4.49Å; D319-A322 PolarHBondContact O-N 2.86Å; V320-A322 VanDerWaalsContact C-N 3.28Å; V320-A322 PolarHBondContact O-N 3.36Å; A322-P324 WeakPolarHBondContact O-CD 3.45Å
323A98.6Very high97.7Very high0 Ų036.6 Ų36.60%021%0.209CC..  trans-118.878-178.100000111.7L221 W249 D319 V320 L325 L326L221-A323 CarbonylContact O-C 3.43Å; L221-A323 VanDerWaalsContact O-C 3.23Å; L221-A323 VanDerWaalsContact O-CA 3.28Å; L221-A323 WeakPolarHBondContact O-CA 3.11Å; W249-A323 HydrophobicContact CH2-CB 4.11Å; D319-A323 PolarHBondContact O-N 3.44Å; V320-A323 CarbonylContact O-C 3.49Å; A323-L325 PolarHBondContact O-N 2.56Å; A323-L326 HydrophobicContact CB-CD1 3.9Å; A323-L326 HydrophobicContact CB-CG 4.16Å; A323-L326 WeakPolarHBondContact O-CB 3.4Å; A323-L326 PolarHBondContact O-N 2.65Å
324P98.8Very high97.9Very high0 Ų038.4 Ų38.40%020%0.202CC..G310 helixtrans-60.2-20.7-173.2-25.535.4000114.5N192 A195 A196 Q199 L221 V320 A322 L326 A327 Y355N192-P324 WeakPolarHBondContact ND2-CD 3.41Å; A195-P324 HydrophobicContact CB-CB 3.94Å; A195-P324 HydrophobicContact CB-CG 4.13Å; A196-P324 HydrophobicContact CB-CG 3.88Å; Q199-P324 PolarHBondContact NE2-O 2.84Å; L221-P324 HydrophobicContact CD2-CB 4.12Å; L221-P324 HydrophobicContact CD2-CG 4.17Å; V320-P324 WeakPolarHBondContact O-CA 3.48Å; A322-P324 WeakPolarHBondContact O-CD 3.45Å; P324-L326 PolarHBondContact O-N 3.12Å; P324-A327 WeakPolarHBondContact O-CB 3.43Å; P324-A327 PolarHBondContact O-N 2.73Å; P324-A327 VanDerWaalsContact O-N 3.12Å; P324-Y355 HydrophobicContact CB-CE2 4.46Å
325L98.7Very high98.1Very high0 Ų038.4 Ų38.40%020%0.203CC..G310 helixtrans-62.6-22174.7-172.458000112.8L221 Q222 L284 A323 A327 M354 Y355 R358L221-L325 HydrophobicContact CB-CB 3.82Å; L221-L325 VanDerWaalsContact O-CB 3.28Å; L221-L325 WeakPolarHBondContact O-CB 3.43Å; L221-L325 PolarHBondContact O-N 3.33Å; L221-L325 VanDerWaalsContact O-N 3.16Å; Q222-L325 HydrophobicContact CB-CB 4.24Å; Q222-L325 HydrophobicContact CB-CD2 4.06Å; Q222-L325 HydrophobicContact CG-CD2 3.85Å; L284-L325 HydrophobicContact CD2-CB 4.26Å; L284-L325 HydrophobicContact CD2-CD2 3.37Å; L284-L325 HydrophobicContact CD2-CG 3.62Å; A323-L325 PolarHBondContact O-N 2.56Å; L325-A327 VanDerWaalsContact C-N 3.31Å; L325-M354 HydrophobicContact CD1-CB 4.03Å; L325-M354 HydrophobicContact CD2-CB 4.01Å; L325-M354 HydrophobicContact CD2-CE 3.8Å; L325-M354 HydrophobicContact CD2-SD 4.45Å; L325-Y355 HydrophobicContact CB-CD2 4.43Å; L325-Y355 VanDerWaalsContact CD1-CA 3.47Å; L325-Y355 HydrophobicContact CD1-CD2 3.75Å; L325-Y355 HydrophobicContact CD1-CG 4.27Å; L325-R358 PolarHBondContact O-NE 3.15Å
326L98.6Very high98.2Very high1 Ų135.2 Ų35.21%0.00518%0.182CC..G310 helixtrans-83.81.3177.9-60-179.1000113.8L224 T280 K283 L284 V320 A323 P324L224-L326 HydrophobicContact CD1-CD1 4.12Å; L224-L326 HydrophobicContact CD1-CD2 4.28Å; T280-L326 HydrophobicContact CG2-CD1 4.25Å; T280-L326 HydrophobicContact CG2-CD2 4.06Å; K283-L326 HydrophobicContact CB-CD2 4.24Å; K283-L326 HydrophobicContact CD-CB 4.47Å; K283-L326 WeakPolarHBondContact CD-O 3.12Å; K283-L326 WeakPolarHBondContact CE-O 3.47Å; K283-L326 PolarHBondContact NZ-O 3.13Å; L284-L326 HydrophobicContact CD1-CD2 3.95Å; L284-L326 HydrophobicContact CD2-CD2 3.86Å; L284-L326 HydrophobicContact CG-CD2 3.74Å; V320-L326 HydrophobicContact CG1-CB 4.09Å; A323-L326 HydrophobicContact CB-CD1 3.9Å; A323-L326 HydrophobicContact CB-CG 4.16Å; A323-L326 WeakPolarHBondContact O-CB 3.4Å; A323-L326 PolarHBondContact O-N 2.65Å; P324-L326 PolarHBondContact O-N 3.12Å
327A98.4Very high98.3Very high2 Ų237.3 Ų37.32%0.01719%0.189CC..  trans-61.6149.1177.600000112.6Q199 P324 L325 V331 L332 R358Q199-A327 VanDerWaalsContact OE1-CB 3.3Å; P324-A327 WeakPolarHBondContact O-CB 3.43Å; P324-A327 PolarHBondContact O-N 2.73Å; P324-A327 VanDerWaalsContact O-N 3.12Å; L325-A327 VanDerWaalsContact C-N 3.31Å; A327-V331 HydrophobicContact CB-CG1 4.45Å; A327-L332 HydrophobicContact CB-CD2 3.87Å; A327-L332 HydrophobicContact CB-CG 4.13Å; A327-R358 PolarHBondContact O-NH2 3.34Å
328E98.4Very high98.4Very high97 Ų9737.3 Ų37.345%0.45319%0.189SC..  trans-67.3154.6174.6-61-57.215800111.7K283 E330 V331 L332K283-E328 VanDerWaalsContact CE-OE2 3.3Å; K283-E328 WeakPolarHBondContact CE-OE2 3.49Å; K283-E328 IonicContact NZ-OE1 2.8Å; K283-E328 PolarHBondContact NZ-OE1 3.19Å; K283-E328 IonicContact NZ-OE2 3.9Å; K283-E328 PolarHBondContact NZ-OE2 2.97Å; E328-E330 PolarHBondContact O-N 3.41Å; E328-V331 HydrophobicContact CB-CG2 4.3Å; E328-V331 WeakPolarHBondContact O-CB 3.3Å; E328-V331 PolarHBondContact O-N 3.48Å; E328-V331 VanDerWaalsContact O-N 3.07Å; E328-L332 WeakPolarHBondContact O-CG 3.38Å; E328-L332 PolarHBondContact O-N 3.38Å
329Q97.1Very high98.4Very high56 Ų5635 Ų3526%0.26218%0.177SC..Hα-helixtrans-59.9-38-176.5-161.769.88.100111.7V331 L332 G333 R358 D361 A362Q329-V331 VanDerWaalsContact C-N 3.3Å; Q329-V331 PolarHBondContact O-N 3.16Å; Q329-L332 PolarHBondContact O-N 2.87Å; Q329-G333 PolarHBondContact O-N 3.44Å; Q329-R358 PolarHBondContact NE2-O 2.83Å; Q329-D361 PolarHBondContact NE2-O 2.71Å; Q329-D361 VanDerWaalsContact NE2-O 3.09Å; Q329-A362 HydrophobicContact CG-CB 4.12Å
330E97.8Very high98.5Very high137 Ų13733.4 Ų33.464%0.6417%0.168SC*.Hα-helixtrans-67.1-31.8178.9-60.573.8-162.100112.1E328 K334E328-E330 PolarHBondContact O-N 3.41Å; E330-K334 WeakPolarHBondContact O-CG 3.17Å
331V98.4Very high98.5Very high31 Ų3130.5 Ų30.519%0.18815%0.151CC..Hα-helixtrans-73-47174.61780000109.6Q199 L203 A327 E328 Q329 G333 K334Q199-V331 HydrophobicContact CB-CG1 3.9Å; Q199-V331 HydrophobicContact CG-CG1 4.13Å; L203-V331 HydrophobicContact CD1-CG1 3.94Å; L203-V331 HydrophobicContact CD1-CG2 4.08Å; L203-V331 HydrophobicContact CD2-CG1 4.4Å; L203-V331 HydrophobicContact CD2-CG2 4.23Å; L203-V331 HydrophobicContact CG-CG1 4.28Å; A327-V331 HydrophobicContact CB-CG1 4.45Å; E328-V331 HydrophobicContact CB-CG2 4.3Å; E328-V331 WeakPolarHBondContact O-CB 3.3Å; E328-V331 PolarHBondContact O-N 3.48Å; E328-V331 VanDerWaalsContact O-N 3.07Å; Q329-V331 VanDerWaalsContact C-N 3.3Å; Q329-V331 PolarHBondContact O-N 3.16Å; V331-G333 VanDerWaalsContact C-N 3.3Å; V331-G333 PolarHBondContact O-N 3.32Å; V331-K334 PolarHBondContact O-N 2.9Å; V331-K334 VanDerWaalsContact O-N 3.12Å
332L98.7Very high98.5Very high0 Ų026.6 Ų26.60%014%0.136CC..Hα-helixtrans-57-44.2177.5-67-178.8000111.6A327 E328 Q329 K334 T335 Y355 R358 L359 A362 V364A327-L332 HydrophobicContact CB-CD2 3.87Å; A327-L332 HydrophobicContact CB-CG 4.13Å; E328-L332 WeakPolarHBondContact O-CG 3.38Å; E328-L332 PolarHBondContact O-N 3.38Å; Q329-L332 PolarHBondContact O-N 2.87Å; L332-K334 PolarHBondContact O-N 2.89Å; L332-K334 VanDerWaalsContact O-N 3.12Å; L332-T335 WeakPolarHBondContact O-CB 3.25Å; L332-T335 PolarHBondContact O-N 3.21Å; L332-T335 PolarHBondContact O-OG1 3.01Å; L332-Y355 HydrophobicContact CD2-CE2 3.6Å; L332-R358 HydrophobicContact CD1-CB 3.71Å; L332-L359 HydrophobicContact CB-CD2 4.21Å; L332-L359 HydrophobicContact CD2-CD2 4.07Å; L332-A362 HydrophobicContact CB-CB 3.84Å; L332-V364 WeakPolarHBondContact O-CG2 3.46Å
333G98.4Very high98.5Very high37 Ų3726.6 Ų26.638%0.38114%0.136SC..THydrogen-bonded Turntrans-64.2-14.4-179.800000115Q329 V331 A362Q329-G333 PolarHBondContact O-N 3.44Å; V331-G333 VanDerWaalsContact C-N 3.3Å; V331-G333 PolarHBondContact O-N 3.32Å; G333-A362 WeakPolarHBondContact CA-O 3.26Å
334K98.3Very high98.4Very high115 Ų11527.5 Ų27.550%0.514%0.141SC..THydrogen-bonded Turntrans-91.7-14.6174.4-70177.7174.2-165.20113.5S202 L203 E330 V331 L332S202-K334 WeakPolarHBondContact CB-O 3.35Å; S202-K334 PolarHBondContact OG-O 2.97Å; L203-K334 HydrophobicContact CD2-CD 3.66Å; E330-K334 WeakPolarHBondContact O-CG 3.17Å; V331-K334 PolarHBondContact O-N 2.9Å; V331-K334 VanDerWaalsContact O-N 3.12Å; L332-K334 PolarHBondContact O-N 2.89Å; L332-K334 VanDerWaalsContact O-N 3.12Å
335T98.7Very high98.4Very high9 Ų928.2 Ų28.26%0.05514%0.144CC..SBendtrans-71.6154.1-178.167.40000112Q199 Q214 L332 L359Q199-T335 HydrophobicContact CB-CG2 4.42Å; Q199-T335 HydrophobicContact CG-CG2 3.83Å; Q214-T335 VanDerWaalsContact NE2-CB 3.31Å; Q214-T335 PolarHBondContact NE2-OG1 3.41Å; Q214-T335 VanDerWaalsContact NE2-OG1 3.09Å; L332-T335 WeakPolarHBondContact O-CB 3.25Å; L332-T335 PolarHBondContact O-N 3.21Å; L332-T335 PolarHBondContact O-OG1 3.01Å; T335-L359 VanDerWaalsContact OG1-CD2 3.31Å; T335-L359 WeakPolarHBondContact OG1-CD2 3.38Å
336P98.6Very high98.3Very high16 Ų1628.3 Ų28.310%0.10414%0.144CC..PPolyproline II helixtrans-65.8166.4178.726.9-36.3000112.5F211 K212 Q214 A338 V364F211-P336 HydrophobicContact CB-CG 4.19Å; F211-P336 WeakPolarHBondContact O-CB 3.37Å; K212-P336 VanDerWaalsContact C-CB 3.49Å; K212-P336 WeakPolarHBondContact O-CB 3.42Å; Q214-P336 HydrophobicContact CB-CG 4.1Å; Q214-P336 HydrophobicContact CG-CG 4.3Å; Q214-P336 PolarHBondContact NE2-O 2.71Å; P336-A338 PolarHBondContact O-N 3.48Å; P336-V364 WeakPolarHBondContact O-CG1 3.28Å
337K98.8Very high98.3Very high52 Ų5228.3 Ų28.323%0.22614%0.144CC..EExtended strand (participates in β ladder)trans-51.5143.5172.766.4167.967.2-155.50111K212 A213 Q214 E365 W401 N405K212-K337 WeakPolarHBondContact O-CG 3.42Å; A213-K337 CarbonylContact C-O 3.6Å; A213-K337 WeakPolarHBondContact CA-O 3.38Å; A213-K337 HydrophobicContact CB-CG 4.23Å; Q214-K337 PolarHBondContact N-O 2.95Å; K337-E365 CarbonylContact C-O 3.53Å; K337-E365 VanDerWaalsContact CA-O 3.32Å; K337-E365 WeakPolarHBondContact CA-O 3.28Å; K337-E365 HydrophobicContact CB-CB 3.97Å; K337-E365 WeakPolarHBondContact CB-O 3.2Å; K337-E365 WeakPolarHBondContact CE-OE2 3.47Å; K337-E365 IonicContact NZ-OE1 2.66Å; K337-E365 PolarHBondContact NZ-OE1 2.96Å; K337-E365 IonicContact NZ-OE2 3.25Å; K337-E365 PolarHBondContact NZ-OE2 2.97Å; K337-W401 HydrophobicContact CD-CZ2 4.39Å; K337-N405 HydrophobicContact CD-CB 4.27Å; K337-N405 PolarHBondContact NZ-OD1 3.41Å
338A98.9Very high98.3Very high0 Ų028.2 Ų28.20%014%0.143CC..EExtended strand (participates in β ladder)trans-118.5137-169.400000112.7Q214 P336 V340 L359 E365 V366 T367Q214-A338 HydrophobicContact CG-CB 3.66Å; Q214-A338 CarbonylContact O-C 3.23Å; Q214-A338 VanDerWaalsContact O-CA 3.29Å; Q214-A338 WeakPolarHBondContact O-CA 3.36Å; P336-A338 PolarHBondContact O-N 3.48Å; A338-V340 HydrophobicContact CB-CG2 4.36Å; A338-L359 HydrophobicContact CB-CD1 3.67Å; A338-E365 PolarHBondContact N-O 3.43Å; A338-V366 HydrophobicContact CB-CG2 4.28Å; A338-V366 CarbonylContact O-C 3.57Å; A338-V366 WeakPolarHBondContact O-CA 3.29Å; A338-T367 PolarHBondContact O-N 3.33Å
339Y98.9Very high98.3Very high1 Ų123.6 Ų23.60%0.00412%0.122CC..EExtended strand (participates in β ladder)trans-99.9125.5156.8177.1-101.2000108.7Q214 A215 L216 M341 T367 D369 Y398 W401Q214-Y339 PolarHBondContact O-N 3.22Å; A215-Y339 HydrophobicContact CB-CD1 4.26Å; L216-Y339 PolarHBondContact N-O 2.89Å; Y339-M341 HydrophobicContact CD1-CB 4.49Å; Y339-M341 HydrophobicContact CE1-CB 3.66Å; Y339-T367 CarbonylContact C-O 3.55Å; Y339-T367 WeakPolarHBondContact CA-O 3.49Å; Y339-T367 HydrophobicContact CD2-CG2 4.12Å; Y339-D369 HydrophobicContact CE2-CB 3.8Å; Y339-D369 WeakPolarHBondContact OH-CB 3.38Å; Y339-D369 PolarHBondContact OH-OD2 2.95Å; Y339-Y398 HydrophobicContact CD1-CD2 4.08Å; Y339-Y398 AromaticContact CE1-CD2 3.99Å; Y339-Y398 HydrophobicContact CE1-CD2 3.99Å; Y339-Y398 HydrophobicContact CE1-CG 4.45Å; Y339-W401 HydrophobicContact CD2-CB 4.02Å; Y339-W401 AromaticContact CD2-CD1 3.76Å; Y339-W401 AromaticContact CD2-CD2 3.8Å; Y339-W401 HydrophobicContact CD2-CD2 3.8Å; Y339-W401 HydrophobicContact CD2-CE3 4.42Å; Y339-W401 AromaticContact CD2-CG 3.57Å; Y339-W401 HydrophobicContact CD2-CG 3.57Å; Y339-W401 HydrophobicContact CE2-CB 4.19Å; Y339-W401 HydrophobicContact CE2-CG 4.19Å; Y339-W401 AromaticContact CG-CD2 3.94Å; Y339-W401 HydrophobicContact CG-CD2 3.94Å; Y339-W401 HydrophobicContact CG-CE3 4.11Å; Y339-W401 HydrophobicContact CG-CG 4.16Å
340V98.9Very high98.4Very high2 Ų221 Ų211%0.01211%0.109CC..EExtended strand (participates in β ladder)trans-122.3111.4177.4-177.60000108.8A338 T342 V366 T367 S368 D369A338-V340 HydrophobicContact CB-CG2 4.36Å; V340-T342 HydrophobicContact CG1-CG2 4.27Å; V340-V366 HydrophobicContact CG2-CG1 4.07Å; V340-T367 PolarHBondContact N-O 3.33Å; V340-S368 WeakPolarHBondContact O-CA 3.29Å; V340-D369 PolarHBondContact O-N 3.5Å
341M98.8Very high98.4Very high0 Ų014.4 Ų14.40%08%0.079CC..EExtended strand (participates in β ladder)trans-97.1134.3174166.2176.4168.300110.2L216 I217 Y218 Y339 D369 Y371 S394L216-M341 PolarHBondContact O-N 3.44Å; I217-M341 HydrophobicContact CG2-CB 4.38Å; I217-M341 HydrophobicContact CG2-CE 4.35Å; I217-M341 HydrophobicContact CG2-CG 4.24Å; I217-M341 HydrophobicContact CG2-SD 3.68Å; Y218-M341 VanDerWaalsContact CA-O 3.23Å; Y218-M341 WeakPolarHBondContact CA-O 3.42Å; Y218-M341 HydrophobicContact CD1-CE 3.85Å; Y218-M341 HydrophobicContact CE1-CE 3.9Å; Y218-M341 PolarHBondContact N-O 3.47Å; Y339-M341 HydrophobicContact CD1-CB 4.49Å; Y339-M341 HydrophobicContact CE1-CB 3.66Å; M341-D369 CarbonylContact C-O 3.54Å; M341-D369 VanDerWaalsContact CA-O 3.3Å; M341-D369 WeakPolarHBondContact CA-O 3.46Å; M341-Y371 HydrophobicContact CE-CD2 3.7Å; M341-Y371 HydrophobicContact CE-CE2 3.81Å; M341-Y371 HydrophobicContact CE-CG 4.41Å; M341-Y371 HydrophobicContact CG-CD2 3.87Å; M341-Y371 HydrophobicContact CG-CE2 3.66Å; M341-Y371 HydrophobicContact SD-CD2 4.15Å; M341-Y371 HydrophobicContact SD-CE2 3.7Å; M341-S394 WeakPolarHBondContact CE-OG 3.32Å
342T98.6Very high98.4Very high3 Ų313 Ų132%0.0187%0.07CC..EExtended strand (participates in β ladder)trans-133.5157.3174.755.70000111.5V340 L353 D369 H370 Y371V340-T342 HydrophobicContact CG1-CG2 4.27Å; T342-L353 HydrophobicContact CG2-CD2 4.35Å; T342-L353 HydrophobicContact CG2-CG 4.35Å; T342-D369 PolarHBondContact N-O 2.98Å; T342-H370 PolarHBondContact OG1-ND1 3.29Å; T342-Y371 PolarHBondContact O-N 3.01Å
343C98.1Very high98.4Very high0 Ų014.7 Ų14.70%08%0.079CC..EExtended strand (participates in β ladder)trans-120.1141.8-179.5-72.60000109.8D346 R349 F375 C378C343-D346 HydrophobicContact CB-CB 3.92Å; C343-R349 WeakPolarHBondContact O-CB 3.4Å; C343-R349 WeakPolarHBondContact O-CG 3.47Å; C343-F375 PolarHBondContact SG-O 2.87Å; C343-F375 VanDerWaalsContact SG-O 3.33Å; C343-C378 VanDerWaalsContact SG-SG 3.66Å
344E97.4Very high98.5Very high19 Ų1913 Ų139%0.0896%0.061CC..EExtended strand (participates in β ladder)trans-66.2-41.3-179.9174.655.8-172.300112.7Q233 N234 R294 D346 R349 H370 Y371 E372 G374Q233-E344 PolarHBondContact NE2-OE1 3.28Å; N234-E344 PolarHBondContact ND2-O 3.35Å; R294-E344 IonicContact CZ-OE2 3.64Å; R294-E344 IonicContact NH1-OE1 3.99Å; R294-E344 PolarHBondContact NH1-OE1 3.13Å; R294-E344 IonicContact NH1-OE2 2.74Å; R294-E344 PolarHBondContact NH1-OE2 2.66Å; R294-E344 IonicContact NH2-OE2 2.98Å; E344-D346 VanDerWaalsContact C-N 3.29Å; E344-D346 PolarHBondContact O-N 2.95Å; E344-R349 IonicContact OE1-NH1 3.66Å; E344-R349 PolarHBondContact OE1-NH1 3.46Å; E344-R349 WeakPolarHBondContact OE2-CD 3.44Å; E344-R349 IonicContact OE2-CZ 3.11Å; E344-R349 IonicContact OE2-NE 3.65Å; E344-R349 IonicContact OE2-NH1 3.32Å; E344-R349 PolarHBondContact OE2-NH1 3.14Å; E344-H370 IonicContact OE2-CE1 3.19Å; E344-H370 IonicContact OE2-NE2 2.63Å; E344-Y371 PolarHBondContact N-O 2.86Å; E344-E372 VanDerWaalsContact CB-O 3.31Å; E344-E372 WeakPolarHBondContact CB-O 3.02Å; E344-G374 PolarHBondContact N-O 3.46Å
345F97.1Very high98.5Very high15 Ų157.5 Ų7.57%0.0664%0.037CC..EExtended strand (participates in β ladder)trans-93.756.8-179.2-56.6-66.3000111.3P23 V26 V237 E372 G374 F375P23-F345 HydrophobicContact CB-CD1 3.98Å; P23-F345 HydrophobicContact CB-CE1 3.34Å; P23-F345 HydrophobicContact CB-CZ 3.96Å; P23-F345 HydrophobicContact CG-CD1 3.89Å; P23-F345 HydrophobicContact CG-CE1 3.76Å; V26-F345 HydrophobicContact CG2-CD1 4.31Å; V26-F345 HydrophobicContact CG2-CD2 3.61Å; V26-F345 HydrophobicContact CG2-CE2 3.83Å; V26-F345 HydrophobicContact CG2-CG 3.87Å; V26-F345 HydrophobicContact CG2-CZ 4.28Å; V237-F345 HydrophobicContact CG1-CB 3.69Å; F345-E372 VanDerWaalsContact CE2-O 3.3Å; F345-E372 WeakPolarHBondContact CE2-O 3.44Å; F345-G374 VanDerWaalsContact CB-O 3.31Å; F345-G374 WeakPolarHBondContact CB-O 3.2Å; F345-G374 WeakPolarHBondContact CD2-O 3.25Å; F345-G374 PolarHBondContact N-O 3.11Å; F345-F375 HydrophobicContact CB-CB 4.26Å; F345-F375 WeakPolarHBondContact O-CA 3.4Å
346D98.1Very high98.5Very high2 Ų27.1 Ų7.11%0.0114%0.036CC..  trans-141.3134.3-179.1-170-11.5000110.7S230 N234 C343 E344 L348 R349 H376S230-D346 WeakPolarHBondContact CB-O 3.37Å; N234-D346 PolarHBondContact ND2-N 3.41Å; N234-D346 VanDerWaalsContact ND2-N 3.2Å; N234-D346 PolarHBondContact ND2-O 2.89Å; C343-D346 HydrophobicContact CB-CB 3.92Å; E344-D346 VanDerWaalsContact C-N 3.29Å; E344-D346 PolarHBondContact O-N 2.95Å; D346-L348 PolarHBondContact O-N 2.91Å; D346-L348 WeakPolarHBondContact OD1-CB 3.36Å; D346-L348 PolarHBondContact OD1-N 3.37Å; D346-R349 WeakPolarHBondContact O-CB 3.36Å; D346-R349 PolarHBondContact O-N 3.13Å; D346-H376 HydrophobicContact CB-CB 4.3Å; D346-H376 VanDerWaalsContact CG-ND1 3.33Å; D346-H376 IonicContact OD1-CG 2.64Å; D346-H376 IonicContact OD1-ND1 3.27Å; D346-H376 PolarHBondContact OD1-ND1 2.95Å; D346-H376 IonicContact OD2-CE1 3.39Å; D346-H376 IonicContact OD2-CG 3.85Å; D346-H376 IonicContact OD2-ND1 2.69Å; D346-H376 PolarHBondContact OD2-ND1 3.3Å
347V98.3Very high98.5Very high0 Ų011.8 Ų11.80%05%0.051CC..THydrogen-bonded Turntrans-65-26.9173.6-65.90000112.1S230 Y231 N234 L240 R242 R349S230-V347 WeakPolarHBondContact CB-O 3.32Å; S230-V347 PolarHBondContact OG-O 3.29Å; Y231-V347 HydrophobicContact CD1-CB 3.66Å; Y231-V347 HydrophobicContact CD1-CG1 4.25Å; Y231-V347 HydrophobicContact CD1-CG2 4.25Å; Y231-V347 WeakPolarHBondContact CD2-O 3.41Å; Y231-V347 HydrophobicContact CE1-CB 3.88Å; Y231-V347 HydrophobicContact CE1-CG2 3.97Å; Y231-V347 HydrophobicContact CG-CB 4.19Å; N234-V347 HydrophobicContact CB-CG1 3.99Å; N234-V347 WeakPolarHBondContact O-CG1 3.29Å; L240-V347 HydrophobicContact CD2-CG2 3.7Å; L240-V347 HydrophobicContact CG-CG2 3.79Å; R242-V347 HydrophobicContact CB-CG1 4.34Å; V347-R349 VanDerWaalsContact C-N 3.35Å
348L98.6Very high98.5Very high0 Ų010.3 Ų10.30%04%0.044CC..THydrogen-bonded Turntrans-87.11.6179.7-56.2176.6000114.1V220 Y231 L240 M245 D346 D350 D351 G352 H376V220-L348 HydrophobicContact CB-CD1 4.17Å; V220-L348 HydrophobicContact CB-CD2 4.27Å; V220-L348 HydrophobicContact CG1-CD2 4.03Å; V220-L348 HydrophobicContact CG2-CD1 3.31Å; V220-L348 HydrophobicContact CG2-CD2 4.03Å; V220-L348 HydrophobicContact CG2-CG 4.3Å; Y231-L348 WeakPolarHBondContact OH-CD2 3.28Å; L240-L348 HydrophobicContact CD2-CD1 3.65Å; L240-L348 HydrophobicContact CD2-CD2 4.49Å; L240-L348 HydrophobicContact CD2-CG 3.78Å; M245-L348 HydrophobicContact CG-CD2 4.02Å; M245-L348 HydrophobicContact SD-CD2 4.02Å; D346-L348 PolarHBondContact O-N 2.91Å; D346-L348 WeakPolarHBondContact OD1-CB 3.36Å; D346-L348 PolarHBondContact OD1-N 3.37Å; L348-D350 PolarHBondContact O-N 3.04Å; L348-D351 WeakPolarHBondContact O-CB 3.03Å; L348-D351 PolarHBondContact O-N 3.22Å; L348-D351 VanDerWaalsContact O-N 3.08Å; L348-G352 PolarHBondContact O-N 3.01Å; L348-H376 WeakPolarHBondContact CD1-CE1 3.33Å
349R98.5Very high98.5Very high1 Ų110.3 Ų10.30%0.0044%0.044CC..Hα-helixtrans-49.8-48.8-179.7-178-165.468.5-156.9-9.3111C343 E344 D346 V347 D351 G352 L353C343-R349 WeakPolarHBondContact O-CB 3.4Å; C343-R349 WeakPolarHBondContact O-CG 3.47Å; E344-R349 IonicContact OE1-NH1 3.66Å; E344-R349 PolarHBondContact OE1-NH1 3.46Å; E344-R349 WeakPolarHBondContact OE2-CD 3.44Å; E344-R349 IonicContact OE2-CZ 3.11Å; E344-R349 IonicContact OE2-NE 3.65Å; E344-R349 IonicContact OE2-NH1 3.32Å; E344-R349 PolarHBondContact OE2-NH1 3.14Å; D346-R349 WeakPolarHBondContact O-CB 3.36Å; D346-R349 PolarHBondContact O-N 3.13Å; V347-R349 VanDerWaalsContact C-N 3.35Å; R349-D351 PolarHBondContact O-N 2.99Å; R349-G352 PolarHBondContact O-N 3.27Å; R349-L353 HydrophobicContact CG-CD1 3.97Å; R349-L353 HydrophobicContact CG-CG 4.42Å; R349-L353 WeakPolarHBondContact O-CG 3.24Å; R349-L353 PolarHBondContact O-N 3.44Å
350D98.7Very high98.5Very high0 Ų014.3 Ų14.30%06%0.063CC..Hα-helixtrans-73.8-26.2-175.1-62.8-5.3000112.5T228 P229 S230 L290 L348 L353 M354T228-D350 HydrophobicContact CG2-CB 4.48Å; T228-D350 PolarHBondContact OG1-OD2 3.37Å; P229-D350 VanDerWaalsContact CB-OD2 3.26Å; P229-D350 WeakPolarHBondContact CB-OD2 3.43Å; P229-D350 WeakPolarHBondContact CD-OD2 3.48Å; S230-D350 VanDerWaalsContact CB-CG 3.43Å; S230-D350 WeakPolarHBondContact CB-OD1 3.24Å; S230-D350 PolarHBondContact N-OD2 3.22Å; S230-D350 VanDerWaalsContact OG-CB 3.25Å; S230-D350 WeakPolarHBondContact OG-CB 3.36Å; S230-D350 PolarHBondContact OG-N 3.14Å; S230-D350 VanDerWaalsContact OG-N 3.13Å; S230-D350 PolarHBondContact OG-OD2 2.89Å; L290-D350 HydrophobicContact CD1-CB 4.03Å; L290-D350 WeakPolarHBondContact CD1-OD2 3.48Å; L290-D350 HydrophobicContact CD2-CB 4.16Å; L348-D350 PolarHBondContact O-N 3.04Å; D350-L353 PolarHBondContact O-N 2.95Å; D350-M354 HydrophobicContact CB-CE 4.38Å; D350-M354 WeakPolarHBondContact O-CB 3.41Å; D350-M354 WeakPolarHBondContact O-CE 3.49Å; D350-M354 WeakPolarHBondContact O-CG 3.46Å; D350-M354 PolarHBondContact O-N 3.37Å
351D98.7Very high98.5Very high0 Ų018 Ų180%08%0.083CC..Hα-helixtrans-57.8-52171.3-80.330.3000110.1L221 Q222 L348 R349 Y355L221-D351 HydrophobicContact CB-CB 4.25Å; L221-D351 PolarHBondContact N-OD2 2.95Å; Q222-D351 PolarHBondContact N-OD2 3.24Å; Q222-D351 VanDerWaalsContact N-OD2 3.14Å; Q222-D351 PolarHBondContact NE2-OD1 3.16Å; Q222-D351 VanDerWaalsContact NE2-OD1 3.13Å; L348-D351 WeakPolarHBondContact O-CB 3.03Å; L348-D351 PolarHBondContact O-N 3.22Å; L348-D351 VanDerWaalsContact O-N 3.08Å; R349-D351 PolarHBondContact O-N 2.99Å; D351-Y355 WeakPolarHBondContact O-CB 3.25Å; D351-Y355 PolarHBondContact O-N 2.81Å
352G98.6Very high98.4Very high0 Ų019.1 Ų19.10%09%0.092CC..Hα-helixtrans-63.9-44.5178.200000113L348 R349 Y355 G356L348-G352 PolarHBondContact O-N 3.01Å; R349-G352 PolarHBondContact O-N 3.27Å; G352-Y355 PolarHBondContact O-N 3.14Å; G352-G356 PolarHBondContact O-N 3.4Å
353L98.6Very high98.4Very high36 Ų3622.3 Ų22.319%0.18813%0.125CC..Hα-helixtrans-63.5-44.2178.7-67.7178.4000112.2L290 T342 R349 D350 R357L290-L353 HydrophobicContact CD2-CB 3.73Å; L290-L353 HydrophobicContact CD2-CD1 4.2Å; T342-L353 HydrophobicContact CG2-CD2 4.35Å; T342-L353 HydrophobicContact CG2-CG 4.35Å; R349-L353 HydrophobicContact CG-CD1 3.97Å; R349-L353 HydrophobicContact CG-CG 4.42Å; R349-L353 WeakPolarHBondContact O-CG 3.24Å; R349-L353 PolarHBondContact O-N 3.44Å; D350-L353 PolarHBondContact O-N 2.95Å; L353-R357 WeakPolarHBondContact O-CB 3.39Å; L353-R357 PolarHBondContact O-N 3.06Å
354M98.8Very high98.5Very high1 Ų123 Ų231%0.00513%0.129CC..Hα-helixtrans-63.5-42177.1-74.4-170.5-71.100111.6T228 W286 L289 L290 L325 D350 R357 R358T228-M354 HydrophobicContact CG2-CE 4.03Å; W286-M354 HydrophobicContact CB-SD 3.65Å; L289-M354 HydrophobicContact CB-CB 4.32Å; L289-M354 HydrophobicContact CB-CG 3.8Å; L289-M354 HydrophobicContact CD1-CB 4.1Å; L289-M354 HydrophobicContact CD1-CG 4.04Å; L289-M354 HydrophobicContact CD1-SD 4.11Å; L290-M354 HydrophobicContact CD2-CG 3.91Å; L290-M354 HydrophobicContact CG-CG 4.35Å; L325-M354 HydrophobicContact CD1-CB 4.03Å; L325-M354 HydrophobicContact CD2-CB 4.01Å; L325-M354 HydrophobicContact CD2-CE 3.8Å; L325-M354 HydrophobicContact CD2-SD 4.45Å; D350-M354 HydrophobicContact CB-CE 4.38Å; D350-M354 WeakPolarHBondContact O-CB 3.41Å; D350-M354 WeakPolarHBondContact O-CE 3.49Å; D350-M354 WeakPolarHBondContact O-CG 3.46Å; D350-M354 PolarHBondContact O-N 3.37Å; M354-R357 PolarHBondContact O-N 2.95Å; M354-R358 WeakPolarHBondContact O-CG 3.39Å; M354-R358 PolarHBondContact O-N 2.74Å
355Y98.8Very high98.5Very high0 Ų027.1 Ų27.10%015%0.148CC..Hα-helixtrans-65.9-46.5178.2-166.1-114.4000112.1A195 Q199 L216 L221 P324 L325 L332 D351 G352 R357 R358 L359A195-Y355 HydrophobicContact CB-CE1 4.2Å; Q199-Y355 PolarHBondContact NE2-OH 3.41Å; L216-Y355 HydrophobicContact CD1-CD1 3.7Å; L216-Y355 HydrophobicContact CD1-CE1 3.46Å; L216-Y355 VanDerWaalsContact CD1-CE1 3.46Å; L221-Y355 HydrophobicContact CD1-CD1 3.83Å; L221-Y355 HydrophobicContact CD1-CD2 4.07Å; L221-Y355 HydrophobicContact CD1-CG 3.48Å; L221-Y355 VanDerWaalsContact CD1-CG 3.48Å; P324-Y355 HydrophobicContact CB-CE2 4.46Å; L325-Y355 HydrophobicContact CB-CD2 4.43Å; L325-Y355 VanDerWaalsContact CD1-CA 3.47Å; L325-Y355 HydrophobicContact CD1-CD2 3.75Å; L325-Y355 HydrophobicContact CD1-CG 4.27Å; L332-Y355 HydrophobicContact CD2-CE2 3.6Å; D351-Y355 WeakPolarHBondContact O-CB 3.25Å; D351-Y355 PolarHBondContact O-N 2.81Å; G352-Y355 PolarHBondContact O-N 3.14Å; Y355-R357 VanDerWaalsContact C-N 3.27Å; Y355-R357 PolarHBondContact O-N 3.36Å; Y355-R358 PolarHBondContact O-N 2.82Å; Y355-R358 VanDerWaalsContact O-N 3.16Å; Y355-L359 HydrophobicContact CD1-CD1 3.65Å; Y355-L359 HydrophobicContact CD1-CG 4.17Å; Y355-L359 HydrophobicContact CE1-CD1 3.49Å; Y355-L359 VanDerWaalsContact CE1-CD1 3.49Å; Y355-L359 HydrophobicContact CE1-CD2 4.3Å; Y355-L359 HydrophobicContact CE1-CG 3.96Å; Y355-L359 WeakPolarHBondContact O-CB 3.46Å; Y355-L359 WeakPolarHBondContact O-CG 3.45Å; Y355-L359 PolarHBondContact O-N 2.89Å
356G98.7Very high98.6Very high2 Ų227.4 Ų27.42%0.02115%0.152CC..Hα-helixtrans-56.1-43.2174.800000111.7G352 L359 Q360G352-G356 PolarHBondContact O-N 3.4Å; G356-L359 PolarHBondContact O-N 2.92Å; G356-Q360 VanDerWaalsContact O-CG 3.31Å; G356-Q360 WeakPolarHBondContact O-CG 3.44Å; G356-Q360 PolarHBondContact O-N 3.02Å
357R98.6Very high98.7Very high114 Ų11429.5 Ų29.543%0.4316%0.164SC..Hα-helixtrans-63.6-45.7175.6-179.963.3-161.5-165.96.1112.5L289 L353 M354 Y355 L359 Q360 D361L289-R357 HydrophobicContact CD2-CB 4.36Å; L289-R357 HydrophobicContact CD2-CG 3.88Å; L353-R357 WeakPolarHBondContact O-CB 3.39Å; L353-R357 PolarHBondContact O-N 3.06Å; M354-R357 PolarHBondContact O-N 2.95Å; Y355-R357 VanDerWaalsContact C-N 3.27Å; Y355-R357 PolarHBondContact O-N 3.36Å; R357-L359 VanDerWaalsContact C-N 3.34Å; R357-L359 PolarHBondContact O-N 3.37Å; R357-Q360 WeakPolarHBondContact O-CB 3.5Å; R357-Q360 PolarHBondContact O-N 3.15Å; R357-D361 IonicContact CZ-OD1 3.29Å; R357-D361 IonicContact NE-OD1 2.77Å; R357-D361 PolarHBondContact NE-OD1 2.85Å; R357-D361 IonicContact NE-OD2 2.87Å; R357-D361 PolarHBondContact NE-OD2 3.48Å; R357-D361 VanDerWaalsContact NE-OD2 3.17Å; R357-D361 IonicContact NH2-OD1 2.84Å; R357-D361 PolarHBondContact NH2-OD1 3.41Å; R357-D361 IonicContact NH2-OD2 2.86Å; R357-D361 VanDerWaalsContact O-CG 3.31Å; R357-D361 PolarHBondContact O-N 3.4Å
358R98.6Very high98.6Very high21 Ų2132.5 Ų32.58%0.07919%0.185CC..Hα-helixtrans-63.7-38.8178.8-73.8177.663.1794.1112.5K283 L289 L325 A327 Q329 L332 M354 Y355 D361 A362K283-R358 VanDerWaalsContact CA-NH1 3.3Å; L289-R358 HydrophobicContact CD1-CG 4.21Å; L289-R358 HydrophobicContact CD2-CG 3.77Å; L325-R358 PolarHBondContact O-NE 3.15Å; A327-R358 PolarHBondContact O-NH2 3.34Å; Q329-R358 PolarHBondContact NE2-O 2.83Å; L332-R358 HydrophobicContact CD1-CB 3.71Å; M354-R358 WeakPolarHBondContact O-CG 3.39Å; M354-R358 PolarHBondContact O-N 2.74Å; Y355-R358 PolarHBondContact O-N 2.82Å; Y355-R358 VanDerWaalsContact O-N 3.16Å; R358-D361 PolarHBondContact O-N 3.19Å; R358-A362 WeakPolarHBondContact O-CB 3.11Å; R358-A362 PolarHBondContact O-N 2.92Å
359L98.9Very high98.6Very high0 Ų034.6 Ų34.60%020%0.197CC..Hα-helixtrans-60.3-47.3172.4-76.6174000111.3L332 T335 A338 Y355 G356 R357 D361 A362 G363 V364 V366L332-L359 HydrophobicContact CB-CD2 4.21Å; L332-L359 HydrophobicContact CD2-CD2 4.07Å; T335-L359 VanDerWaalsContact OG1-CD2 3.31Å; T335-L359 WeakPolarHBondContact OG1-CD2 3.38Å; A338-L359 HydrophobicContact CB-CD1 3.67Å; Y355-L359 HydrophobicContact CD1-CD1 3.65Å; Y355-L359 HydrophobicContact CD1-CG 4.17Å; Y355-L359 HydrophobicContact CE1-CD1 3.49Å; Y355-L359 VanDerWaalsContact CE1-CD1 3.49Å; Y355-L359 HydrophobicContact CE1-CD2 4.3Å; Y355-L359 HydrophobicContact CE1-CG 3.96Å; Y355-L359 WeakPolarHBondContact O-CB 3.46Å; Y355-L359 WeakPolarHBondContact O-CG 3.45Å; Y355-L359 PolarHBondContact O-N 2.89Å; G356-L359 PolarHBondContact O-N 2.92Å; R357-L359 VanDerWaalsContact C-N 3.34Å; R357-L359 PolarHBondContact O-N 3.37Å; L359-D361 PolarHBondContact O-N 3.27Å; L359-A362 CarbonylContact O-C 3.55Å; L359-A362 WeakPolarHBondContact O-CA 3.29Å; L359-A362 WeakPolarHBondContact O-CB 3.33Å; L359-A362 PolarHBondContact O-N 3.26Å; L359-G363 PolarHBondContact O-N 3.47Å; L359-V364 HydrophobicContact CB-CB 4.1Å; L359-V364 HydrophobicContact CB-CG1 4.5Å; L359-V364 HydrophobicContact CD2-CB 4.29Å; L359-V364 HydrophobicContact CD2-CG1 4.36Å; L359-V364 HydrophobicContact CD2-CG2 4.03Å; L359-V364 WeakPolarHBondContact O-CB 3.35Å; L359-V364 PolarHBondContact O-N 3.18Å; L359-V366 HydrophobicContact CB-CG2 3.55Å; L359-V366 HydrophobicContact CD1-CG2 4.21Å
360Q98.8Very high98.6Very high84 Ų8437 Ų3739%0.39321%0.208SC..Hα-helixtrans-60.4-45.3175.7-72171.9-23.800112G356 R357 A362 G363 V366G356-Q360 VanDerWaalsContact O-CG 3.31Å; G356-Q360 WeakPolarHBondContact O-CG 3.44Å; G356-Q360 PolarHBondContact O-N 3.02Å; R357-Q360 WeakPolarHBondContact O-CB 3.5Å; R357-Q360 PolarHBondContact O-N 3.15Å; Q360-A362 PolarHBondContact O-N 2.94Å; Q360-A362 VanDerWaalsContact O-N 3.17Å; Q360-G363 PolarHBondContact O-N 3.33Å; Q360-V366 HydrophobicContact CG-CB 3.72Å; Q360-V366 HydrophobicContact CG-CG2 3.7Å
361D98.4Very high98.5Very high81 Ų8137.5 Ų37.543%0.43321%0.21SC..Hα-helixtrans-62.4-20.9176-69-29000111.6Q329 R357 R358 L359 G363Q329-D361 PolarHBondContact NE2-O 2.71Å; Q329-D361 VanDerWaalsContact NE2-O 3.09Å; R357-D361 IonicContact CZ-OD1 3.29Å; R357-D361 IonicContact NE-OD1 2.77Å; R357-D361 PolarHBondContact NE-OD1 2.85Å; R357-D361 IonicContact NE-OD2 2.87Å; R357-D361 PolarHBondContact NE-OD2 3.48Å; R357-D361 VanDerWaalsContact NE-OD2 3.17Å; R357-D361 IonicContact NH2-OD1 2.84Å; R357-D361 PolarHBondContact NH2-OD1 3.41Å; R357-D361 IonicContact NH2-OD2 2.86Å; R357-D361 VanDerWaalsContact O-CG 3.31Å; R357-D361 PolarHBondContact O-N 3.4Å; R358-D361 PolarHBondContact O-N 3.19Å; L359-D361 PolarHBondContact O-N 3.27Å; D361-G363 VanDerWaalsContact C-N 3.35Å
362A98.6Very high98.4Very high23 Ų2342.9 Ų42.919%0.1924%0.235CC..THydrogen-bonded Turntrans-90.71177.100000112.8Q329 L332 G333 R358 L359 Q360Q329-A362 HydrophobicContact CG-CB 4.12Å; L332-A362 HydrophobicContact CB-CB 3.84Å; G333-A362 WeakPolarHBondContact CA-O 3.26Å; R358-A362 WeakPolarHBondContact O-CB 3.11Å; R358-A362 PolarHBondContact O-N 2.92Å; L359-A362 CarbonylContact O-C 3.55Å; L359-A362 WeakPolarHBondContact O-CA 3.29Å; L359-A362 WeakPolarHBondContact O-CB 3.33Å; L359-A362 PolarHBondContact O-N 3.26Å; Q360-A362 PolarHBondContact O-N 2.94Å; Q360-A362 VanDerWaalsContact O-N 3.17Å
363G98.6Very high98.3Very high70 Ų7044.4 Ų44.472%0.72224%0.243SC*.THydrogen-bonded Turntrans85.48.3-178.700000114.7L359 Q360 D361L359-G363 PolarHBondContact O-N 3.47Å; Q360-G363 PolarHBondContact O-N 3.33Å; D361-G363 VanDerWaalsContact C-N 3.35Å
364V98.8Very high98.1Very high13 Ų1342.7 Ų42.78%0.07923%0.234CC..  trans-77.3135.8176.3-178.40000109.9L332 P336 L359 V366L332-V364 WeakPolarHBondContact O-CG2 3.46Å; P336-V364 WeakPolarHBondContact O-CG1 3.28Å; L359-V364 HydrophobicContact CB-CB 4.1Å; L359-V364 HydrophobicContact CB-CG1 4.5Å; L359-V364 HydrophobicContact CD2-CB 4.29Å; L359-V364 HydrophobicContact CD2-CG1 4.36Å; L359-V364 HydrophobicContact CD2-CG2 4.03Å; L359-V364 WeakPolarHBondContact O-CB 3.35Å; L359-V364 PolarHBondContact O-N 3.18Å; V364-V366 HydrophobicContact CG1-CG2 4.38Å; V364-V366 PolarHBondContact O-N 3.29Å
365E98.8Very high98Very high106 Ų10643.1 Ų43.150%0.49524%0.236SC..  trans-68.1118.4170.6-173.8-169.1139.200109.6K337 A338K337-E365 CarbonylContact C-O 3.53Å; K337-E365 VanDerWaalsContact CA-O 3.32Å; K337-E365 WeakPolarHBondContact CA-O 3.28Å; K337-E365 HydrophobicContact CB-CB 3.97Å; K337-E365 WeakPolarHBondContact CB-O 3.2Å; K337-E365 WeakPolarHBondContact CE-OE2 3.47Å; K337-E365 IonicContact NZ-OE1 2.66Å; K337-E365 PolarHBondContact NZ-OE1 2.96Å; K337-E365 IonicContact NZ-OE2 3.25Å; K337-E365 PolarHBondContact NZ-OE2 2.97Å; A338-E365 PolarHBondContact N-O 3.43Å
366V98.8Very high97.9Very high22 Ų2243.7 Ų43.713%0.13324%0.238CC..EExtended strand (participates in β ladder)trans-123123.8-178.7-176.90000110.5A338 V340 L359 Q360 V364A338-V366 HydrophobicContact CB-CG2 4.28Å; A338-V366 CarbonylContact O-C 3.57Å; A338-V366 WeakPolarHBondContact O-CA 3.29Å; V340-V366 HydrophobicContact CG2-CG1 4.07Å; L359-V366 HydrophobicContact CB-CG2 3.55Å; L359-V366 HydrophobicContact CD1-CG2 4.21Å; Q360-V366 HydrophobicContact CG-CB 3.72Å; Q360-V366 HydrophobicContact CG-CG2 3.7Å; V364-V366 HydrophobicContact CG1-CG2 4.38Å; V364-V366 PolarHBondContact O-N 3.29Å
367T98.7Very high97.7Very high45 Ų4543.8 Ų43.828%0.27624%0.24SC..EExtended strand (participates in β ladder)trans-95.6123.8162.8-56.40000108.9A338 Y339 V340 W401A338-T367 PolarHBondContact O-N 3.33Å; Y339-T367 CarbonylContact C-O 3.55Å; Y339-T367 WeakPolarHBondContact CA-O 3.49Å; Y339-T367 HydrophobicContact CD2-CG2 4.12Å; V340-T367 PolarHBondContact N-O 3.33Å; T367-W401 PolarHBondContact OG1-NE1 2.78Å
368S97.3Very high97.5Very high63 Ų6338.4 Ų38.444%0.44122%0.219SC..EExtended strand (participates in β ladder)trans-114.7118.2178.8-610000111V340V340-S368 WeakPolarHBondContact O-CA 3.29Å
369D98Very high97.2Very high45 Ų4537.7 Ų37.724%0.24122%0.217CC..EExtended strand (participates in β ladder)trans-108.7112176-99.823.3000109.2Y339 V340 M341 T342 Y371Y339-D369 HydrophobicContact CE2-CB 3.8Å; Y339-D369 WeakPolarHBondContact OH-CB 3.38Å; Y339-D369 PolarHBondContact OH-OD2 2.95Å; V340-D369 PolarHBondContact O-N 3.5Å; M341-D369 CarbonylContact C-O 3.54Å; M341-D369 VanDerWaalsContact CA-O 3.3Å; M341-D369 WeakPolarHBondContact CA-O 3.46Å; T342-D369 PolarHBondContact N-O 2.98Å; D369-Y371 HydrophobicContact CB-CE2 3.91Å; D369-Y371 PolarHBondContact OD2-OH 3.36Å; D369-Y371 VanDerWaalsContact OD2-OH 3.12Å
370H98.1Very high96.8Very high52 Ų5239 Ų3924%0.24123%0.225CC..EExtended strand (participates in β ladder)trans-107.1126.2178.5-173.771.4000111.1R294 T342 E344 E372R294-H370 PolarHBondContact NH2-NE2 2.8Å; R294-H370 VanDerWaalsContact NH2-NE2 3.14Å; T342-H370 PolarHBondContact OG1-ND1 3.29Å; E344-H370 IonicContact OE2-CE1 3.19Å; E344-H370 IonicContact OE2-NE2 2.63Å; H370-E372 VanDerWaalsContact CD2-CD 3.49Å; H370-E372 IonicContact CD2-OE1 3.65Å; H370-E372 PolarHBondContact CD2-OE1 3.23Å; H370-E372 VanDerWaalsContact CD2-OE1 3.25Å; H370-E372 IonicContact CD2-OE2 3.11Å; H370-E372 IonicContact NE2-OE1 3.52Å; H370-E372 IonicContact NE2-OE2 3.42Å
371Y97.6Very high96.3Very high10 Ų1036.9 Ų36.94%0.03921%0.214CC..EExtended strand (participates in β ladder)trans-102.4100.7180-65.3-94.8000110.1M341 T342 E344 D369 D373 G374 V390 R393 S394 N397M341-Y371 HydrophobicContact CE-CD2 3.7Å; M341-Y371 HydrophobicContact CE-CE2 3.81Å; M341-Y371 HydrophobicContact CE-CG 4.41Å; M341-Y371 HydrophobicContact CG-CD2 3.87Å; M341-Y371 HydrophobicContact CG-CE2 3.66Å; M341-Y371 HydrophobicContact SD-CD2 4.15Å; M341-Y371 HydrophobicContact SD-CE2 3.7Å; T342-Y371 PolarHBondContact O-N 3.01Å; E344-Y371 PolarHBondContact N-O 2.86Å; D369-Y371 HydrophobicContact CB-CE2 3.91Å; D369-Y371 PolarHBondContact OD2-OH 3.36Å; D369-Y371 VanDerWaalsContact OD2-OH 3.12Å; Y371-D373 PolarHBondContact O-N 3.21Å; Y371-G374 PolarHBondContact O-N 2.98Å; Y371-V390 HydrophobicContact CD1-CG2 3.89Å; Y371-V390 HydrophobicContact CG-CG2 4.25Å; Y371-R393 HydrophobicContact CE1-CG 4.28Å; Y371-S394 WeakPolarHBondContact OH-CA 3.4Å; Y371-N397 VanDerWaalsContact OH-CB 3.22Å; Y371-N397 WeakPolarHBondContact OH-CB 3.3Å; Y371-N397 PolarHBondContact OH-ND2 3.48Å
372E96.8Very high95.8Very high113 Ų11333 Ų3353%0.52819%0.194SC..EExtended strand (participates in β ladder)trans-62.5-24.6-178.2-63.9-68.217000113.8R294 E344 F345 H370R294-E372 IonicContact NH2-OE1 3.14Å; R294-E372 PolarHBondContact NH2-OE1 3.46Å; R294-E372 VanDerWaalsContact NH2-OE1 3.11Å; R294-E372 IonicContact NH2-OE2 3.17Å; R294-E372 PolarHBondContact NH2-OE2 2.86Å; E344-E372 VanDerWaalsContact CB-O 3.31Å; E344-E372 WeakPolarHBondContact CB-O 3.02Å; F345-E372 VanDerWaalsContact CE2-O 3.3Å; F345-E372 WeakPolarHBondContact CE2-O 3.44Å; H370-E372 VanDerWaalsContact CD2-CD 3.49Å; H370-E372 IonicContact CD2-OE1 3.65Å; H370-E372 PolarHBondContact CD2-OE1 3.23Å; H370-E372 VanDerWaalsContact CD2-OE1 3.25Å; H370-E372 IonicContact CD2-OE2 3.11Å; H370-E372 IonicContact NE2-OE1 3.52Å; H370-E372 IonicContact NE2-OE2 3.42Å
373D95.4Very high95.2Very high32 Ų3234.1 Ų34.117%0.17120%0.197CC..EExtended strand (participates in β ladder)trans-103.94.2175.267.1-32.1000112.9G25 S27 Y371 R393G25-D373 WeakPolarHBondContact O-CA 3.25Å; G25-D373 WeakPolarHBondContact O-CB 3.31Å; S27-D373 WeakPolarHBondContact CB-OD2 3.32Å; S27-D373 PolarHBondContact OG-OD2 2.96Å; Y371-D373 PolarHBondContact O-N 3.21Å; D373-R393 IonicContact OD1-CZ 2.83Å; D373-R393 IonicContact OD1-NH2 3.17Å; D373-R393 PolarHBondContact OD1-NH2 3.14Å; D373-R393 IonicContact OD2-CZ 3.2Å; D373-R393 IonicContact OD2-NH1 2.68Å; D373-R393 IonicContact OD2-NH2 3.38Å; D373-R393 PolarHBondContact OD2-NH2 3.15Å
374G95.8Very high94.3Very high0 Ų037 Ų370%020%0.195CC..EExtended strand (participates in β ladder)trans-82.4151.5-175.200000113.1E344 F345 Y371E344-G374 PolarHBondContact N-O 3.46Å; F345-G374 VanDerWaalsContact CB-O 3.31Å; F345-G374 WeakPolarHBondContact CB-O 3.2Å; F345-G374 WeakPolarHBondContact CD2-O 3.25Å; F345-G374 PolarHBondContact N-O 3.11Å; Y371-G374 PolarHBondContact O-N 2.98Å
375F95.6Very high93Very high9 Ų941.1 Ų41.14%0.03922%0.222CC..EExtended strand (participates in β ladder)trans-127.4164.8173.661.3-87.2000110L32 L35 C343 F345 G377 C378 F381 V390L32-F375 HydrophobicContact CD1-CD1 4.47Å; L32-F375 HydrophobicContact CD1-CD2 3.69Å; L32-F375 HydrophobicContact CD1-CE2 3.79Å; L32-F375 HydrophobicContact CD1-CG 4.07Å; L32-F375 HydrophobicContact CD1-CZ 4.22Å; L32-F375 HydrophobicContact CD2-CB 4.16Å; L32-F375 HydrophobicContact CD2-CD1 4.21Å; L32-F375 HydrophobicContact CD2-CD2 4.47Å; L32-F375 HydrophobicContact CD2-CG 4.03Å; L35-F375 HydrophobicContact CD2-CE2 4.43Å; C343-F375 PolarHBondContact SG-O 2.87Å; C343-F375 VanDerWaalsContact SG-O 3.33Å; F345-F375 HydrophobicContact CB-CB 4.26Å; F345-F375 WeakPolarHBondContact O-CA 3.4Å; F375-G377 PolarHBondContact O-N 3.15Å; F375-C378 HydrophobicContact CD1-CB 4.1Å; F375-C378 HydrophobicContact CD2-CB 4.32Å; F375-C378 HydrophobicContact CE1-CB 3.89Å; F375-C378 HydrophobicContact CE2-CB 4.11Å; F375-C378 HydrophobicContact CG-CB 4.31Å; F375-C378 HydrophobicContact CZ-CB 3.89Å; F375-C378 VanDerWaalsContact O-CB 3.3Å; F375-C378 WeakPolarHBondContact O-CB 3.28Å; F375-C378 PolarHBondContact O-N 3.06Å; F375-C378 PolarHBondContact O-SG 2.98Å; F375-F381 AromaticContact CE2-CD2 3.92Å; F375-F381 HydrophobicContact CE2-CD2 3.92Å; F375-F381 HydrophobicContact CE2-CE2 4.32Å; F375-F381 HydrophobicContact CZ-CD2 4.26Å; F375-V390 HydrophobicContact CD1-CG1 4.32Å; F375-V390 HydrophobicContact CE1-CG1 4Å
376H96.9Very high92Very high12 Ų1237.7 Ų37.76%0.05621%0.206CC..THydrogen-bonded Turntrans-56.4133.6179.9-167.673.3000112.1S188 Y218 I239 L240 D346 L348 C378S188-H376 WeakPolarHBondContact CB-NE2 3.41Å; S188-H376 PolarHBondContact OG-CE1 3.06Å; S188-H376 PolarHBondContact OG-NE2 2.91Å; Y218-H376 AromaticContact CD2-CE1 3.71Å; I239-H376 WeakPolarHBondContact CG1-O 3.32Å; L240-H376 HydrophobicContact CB-CB 3.79Å; L240-H376 HydrophobicContact CD2-CB 4.5Å; D346-H376 HydrophobicContact CB-CB 4.3Å; D346-H376 VanDerWaalsContact CG-ND1 3.33Å; D346-H376 IonicContact OD1-CG 2.64Å; D346-H376 IonicContact OD1-ND1 3.27Å; D346-H376 PolarHBondContact OD1-ND1 2.95Å; D346-H376 IonicContact OD2-CE1 3.39Å; D346-H376 IonicContact OD2-CG 3.85Å; D346-H376 IonicContact OD2-ND1 2.69Å; D346-H376 PolarHBondContact OD2-ND1 3.3Å; L348-H376 WeakPolarHBondContact CD1-CE1 3.33Å; H376-C378 VanDerWaalsContact C-N 3.26Å; H376-C378 PolarHBondContact O-N 2.92Å
377G94Very high91.1Very high5 Ų540.1 Ų40.15%0.05222%0.217CC..THydrogen-bonded Turntrans74.98178.200000115F375 M379 V380 F381F375-G377 PolarHBondContact O-N 3.15Å; G377-M379 PolarHBondContact O-N 3.47Å; G377-V380 WeakPolarHBondContact O-CB 3.41Å; G377-V380 PolarHBondContact O-N 3.36Å; G377-F381 WeakPolarHBondContact O-CD2 3.42Å; G377-F381 WeakPolarHBondContact O-CE2 3.26Å
378C94.3Very high90.7Very high0 Ų038.2 Ų38.20%021%0.205CC..THydrogen-bonded Turntrans-54.6-32.6-175.865.20000113.8C343 F375 H376 F381 V390 G391C343-C378 VanDerWaalsContact SG-SG 3.66Å; F375-C378 HydrophobicContact CD1-CB 4.1Å; F375-C378 HydrophobicContact CD2-CB 4.32Å; F375-C378 HydrophobicContact CE1-CB 3.89Å; F375-C378 HydrophobicContact CE2-CB 4.11Å; F375-C378 HydrophobicContact CG-CB 4.31Å; F375-C378 HydrophobicContact CZ-CB 3.89Å; F375-C378 VanDerWaalsContact O-CB 3.3Å; F375-C378 WeakPolarHBondContact O-CB 3.28Å; F375-C378 PolarHBondContact O-N 3.06Å; F375-C378 PolarHBondContact O-SG 2.98Å; H376-C378 VanDerWaalsContact C-N 3.26Å; H376-C378 PolarHBondContact O-N 2.92Å; C378-F381 CarbonylContact O-C 3.58Å; C378-F381 PolarHBondContact O-N 3.4Å; C378-V390 HydrophobicContact CB-CG1 4.02Å; C378-G391 WeakPolarHBondContact O-CA 3.44Å
379M94.1Very high90.5Very high6 Ų637.3 Ų37.33%0.0320%0.199CC..THydrogen-bonded Turntrans-67.1-34.8179.2-167.9175.269.300112.6Y108 L127 D187 I217 Y218 G377 F381 A382 M395 Y398Y108-M379 WeakPolarHBondContact OH-CE 3.38Å; L127-M379 HydrophobicContact CD2-CE 3.87Å; D187-M379 HydrophobicContact CB-CE 4.24Å; I217-M379 HydrophobicContact CB-CE 4.11Å; I217-M379 HydrophobicContact CD1-CE 4.35Å; I217-M379 HydrophobicContact CG1-CE 3.89Å; I217-M379 HydrophobicContact CG1-SD 4.38Å; I217-M379 HydrophobicContact CG2-CE 3.74Å; I217-M379 HydrophobicContact CG2-SD 4.15Å; Y218-M379 HydrophobicContact CE1-CB 4.1Å; Y218-M379 WeakPolarHBondContact OH-CB 3.43Å; G377-M379 PolarHBondContact O-N 3.47Å; M379-F381 PolarHBondContact O-N 3.03Å; M379-A382 WeakPolarHBondContact O-CB 3.42Å; M379-A382 PolarHBondContact O-N 3.38Å; M379-A382 VanDerWaalsContact O-N 3.07Å; M379-M395 HydrophobicContact CG-CB 3.97Å; M379-Y398 HydrophobicContact SD-CD1 3.97Å
380V89.9Confident90.3Very high27 Ų2735.2 Ų35.216%0.16419%0.188CC..G310 helixtrans-62.3-29.8174.91790000110.8S123 Y124 G377 A382S123-V380 WeakPolarHBondContact CB-O 3.45Å; Y124-V380 HydrophobicContact CE1-CG2 4.13Å; G377-V380 WeakPolarHBondContact O-CB 3.41Å; G377-V380 PolarHBondContact O-N 3.36Å; V380-A382 VanDerWaalsContact C-N 3.34Å; V380-A382 PolarHBondContact O-N 3.38Å
381F88.7Confident90.2Very high40 Ų4032.7 Ų32.718%0.17518%0.176CC..G310 helixtrans-93.422.2176.8-51.4-69.6000113.4L35 I239 F375 G377 C378 M379 N383 M386 M387 S388L35-F381 HydrophobicContact CD1-CD1 4.33Å; L35-F381 HydrophobicContact CD1-CE1 3.64Å; L35-F381 HydrophobicContact CD1-CZ 3.91Å; L35-F381 HydrophobicContact CD2-CD1 4.06Å; L35-F381 HydrophobicContact CD2-CD2 3.85Å; L35-F381 HydrophobicContact CD2-CE1 3.77Å; L35-F381 HydrophobicContact CD2-CE2 3.58Å; L35-F381 HydrophobicContact CD2-CG 4.1Å; L35-F381 HydrophobicContact CD2-CZ 3.53Å; L35-F381 HydrophobicContact CG-CE1 4.36Å; L35-F381 HydrophobicContact CG-CZ 4.28Å; I239-F381 HydrophobicContact CD1-CE2 3.72Å; I239-F381 HydrophobicContact CD1-CZ 4.03Å; F375-F381 AromaticContact CE2-CD2 3.92Å; F375-F381 HydrophobicContact CE2-CD2 3.92Å; F375-F381 HydrophobicContact CE2-CE2 4.32Å; F375-F381 HydrophobicContact CZ-CD2 4.26Å; G377-F381 WeakPolarHBondContact O-CD2 3.42Å; G377-F381 WeakPolarHBondContact O-CE2 3.26Å; C378-F381 CarbonylContact O-C 3.58Å; C378-F381 PolarHBondContact O-N 3.4Å; M379-F381 PolarHBondContact O-N 3.03Å; F381-N383 PolarHBondContact O-N 3.25Å; F381-M386 HydrophobicContact CD1-CB 4.01Å; F381-M387 CarbonylContact O-C 3.5Å; F381-M387 WeakPolarHBondContact O-CA 3.35Å; F381-S388 PolarHBondContact O-N 2.99Å
382A87.7Confident90.1Very high0 Ų035 Ų350%019%0.188CC..G310 helixtrans-67-19.6175.100000113.5M379 V380 G391 Q392 M395M379-A382 WeakPolarHBondContact O-CB 3.42Å; M379-A382 PolarHBondContact O-N 3.38Å; M379-A382 VanDerWaalsContact O-N 3.07Å; V380-A382 VanDerWaalsContact C-N 3.34Å; V380-A382 PolarHBondContact O-N 3.38Å; A382-G391 WeakPolarHBondContact CB-O 3.48Å; A382-Q392 HydrophobicContact CB-CG 4.32Å; A382-Q392 WeakPolarHBondContact O-CG 3.3Å; A382-Q392 PolarHBondContact O-NE2 3.49Å; A382-M395 HydrophobicContact CB-CB 4.25Å; A382-M395 HydrophobicContact CB-CE 3.77Å; A382-M395 HydrophobicContact CB-SD 3.95Å
383N86.5Confident90.1Very high46 Ų4633.4 Ų33.425%0.24618%0.177CC..SBendtrans-119169.9-176.6-64.1-63.8000111.6L126 F381 M387L126-N383 HydrophobicContact CD1-CB 3.61Å; F381-N383 PolarHBondContact O-N 3.25Å; N383-M387 WeakPolarHBondContact O-CA 3.48Å; N383-M387 PolarHBondContact O-N 3.46Å
384L77.7Confident90.1Very high131 Ų13131.9 Ų31.969%0.68617%0.169SC*.SBendtrans-56.2149.2173.6-73.6173.5000111.4M387L384-M387 HydrophobicContact CD2-CB 4.31Å
385P72.8Confident90.2Very high100 Ų10032.3 Ų32.365%0.64917%0.17SC*.SBendcis-88.7-16932.7-34.1000115.2
386M77.2Confident90.3Very high33 Ų3338.3 Ų38.316%0.16319%0.193CC..SBendtrans-103.236.6-174.8-63.9-58.7-77.300112.7K31 L34 L35 F381 S388K31-M386 WeakPolarHBondContact O-CE 3.37Å; L34-M386 HydrophobicContact CB-CE 4.17Å; L34-M386 HydrophobicContact CD2-CE 4.28Å; L34-M386 HydrophobicContact CG-CE 4.26Å; L35-M386 HydrophobicContact CB-CE 3.58Å; L35-M386 HydrophobicContact CD1-CG 4.32Å; F381-M386 HydrophobicContact CD1-CB 4.01Å; M386-S388 PolarHBondContact O-N 3Å
387M80.9Confident90.4Very high74 Ų7439.8 Ų39.837%0.36520%0.201SC..  trans-49.5112.1-173-169.318082.900112K31 F381 N383 L384 Q392K31-M387 PolarHBondContact NZ-O 2.99Å; F381-M387 CarbonylContact O-C 3.5Å; F381-M387 WeakPolarHBondContact O-CA 3.35Å; N383-M387 WeakPolarHBondContact O-CA 3.48Å; N383-M387 PolarHBondContact O-N 3.46Å; L384-M387 HydrophobicContact CD2-CB 4.31Å; M387-Q392 VanDerWaalsContact CG-NE2 3.26Å; M387-Q392 PolarHBondContact SD-NE2 2.99Å
388S88.7Confident90.6Very high4 Ų439.5 Ų39.53%0.02820%0.199CC..  trans-108.5135178.2-179.50000111.6E28 F381 M386 V390 G391 Q392E28-S388 VanDerWaalsContact OE2-CA 3.26Å; E28-S388 WeakPolarHBondContact OE2-CA 3.39Å; E28-S388 PolarHBondContact OE2-OG 3.5Å; F381-S388 PolarHBondContact O-N 2.99Å; M386-S388 PolarHBondContact O-N 3Å; S388-V390 VanDerWaalsContact C-N 3.33Å; S388-V390 PolarHBondContact O-N 3.48Å; S388-V390 VanDerWaalsContact OG-CG1 3.25Å; S388-V390 WeakPolarHBondContact OG-CG1 3.28Å; S388-G391 PolarHBondContact O-N 2.84Å; S388-G391 VanDerWaalsContact O-N 3.15Å; S388-Q392 PolarHBondContact O-N 3.16Å
389S93.3Very high90.8Very high45 Ų4539.8 Ų39.832%0.31520%0.2SC..Hα-helixtrans-60.5-39.3177.761.30000112.8E28 Q392 R393E28-S389 PolarHBondContact OE2-N 3.15Å; E28-S389 PolarHBondContact OE2-OG 3.36Å; S389-Q392 PolarHBondContact O-N 2.91Å; S389-R393 WeakPolarHBondContact O-CB 3.35Å; S389-R393 PolarHBondContact O-N 3.46Å
390V94.9Very high91Very high0 Ų046.3 Ų46.30%022%0.224CC..Hα-helixtrans-67.7-38.9174.457.70000111Y371 F375 C378 S388 Q392 R393 S394Y371-V390 HydrophobicContact CD1-CG2 3.89Å; Y371-V390 HydrophobicContact CG-CG2 4.25Å; F375-V390 HydrophobicContact CD1-CG1 4.32Å; F375-V390 HydrophobicContact CE1-CG1 4Å; C378-V390 HydrophobicContact CB-CG1 4.02Å; S388-V390 VanDerWaalsContact C-N 3.33Å; S388-V390 PolarHBondContact O-N 3.48Å; S388-V390 VanDerWaalsContact OG-CG1 3.25Å; S388-V390 WeakPolarHBondContact OG-CG1 3.28Å; V390-Q392 PolarHBondContact O-N 3.25Å; V390-R393 PolarHBondContact O-N 3.38Å; V390-S394 VanDerWaalsContact O-CB 3.28Å; V390-S394 WeakPolarHBondContact O-CB 3.41Å; V390-S394 PolarHBondContact O-N 2.88Å; V390-S394 PolarHBondContact O-OG 3.3Å
391G95.3Very high91.4Very high0 Ų045.6 Ų45.60%022%0.219CC..Hα-helixtrans-60.4-44.2173.500000113.4C378 A382 S388 S394 M395C378-G391 WeakPolarHBondContact O-CA 3.44Å; A382-G391 WeakPolarHBondContact CB-O 3.48Å; S388-G391 PolarHBondContact O-N 2.84Å; S388-G391 VanDerWaalsContact O-N 3.15Å; G391-S394 PolarHBondContact O-OG 2.73Å; G391-S394 VanDerWaalsContact O-OG 3.07Å; G391-M395 VanDerWaalsContact O-CB 3.27Å; G391-M395 WeakPolarHBondContact O-CB 2.85Å; G391-M395 PolarHBondContact O-N 3.34Å
392Q95.6Very high91.9Very high59 Ų5943.7 Ų43.728%0.27621%0.21SC..Hα-helixtrans-66.5-42.6176.3-71.6-177-24.500112.6A382 M387 S388 S389 V390 R396A382-Q392 HydrophobicContact CB-CG 4.32Å; A382-Q392 WeakPolarHBondContact O-CG 3.3Å; A382-Q392 PolarHBondContact O-NE2 3.49Å; M387-Q392 VanDerWaalsContact CG-NE2 3.26Å; M387-Q392 PolarHBondContact SD-NE2 2.99Å; S388-Q392 PolarHBondContact O-N 3.16Å; S389-Q392 PolarHBondContact O-N 2.91Å; V390-Q392 PolarHBondContact O-N 3.25Å; Q392-R396 WeakPolarHBondContact O-CB 3.36Å; Q392-R396 WeakPolarHBondContact O-CG 3.43Å; Q392-R396 PolarHBondContact O-N 2.79Å
393R96.5Very high92.4Very high79 Ų7947.2 Ų47.230%0.29823%0.229SC..Hα-helixtrans-63.6-46.1177-175.5173.459.4-104.80.1110.5Y371 D373 S389 V390 R396 N397Y371-R393 HydrophobicContact CE1-CG 4.28Å; D373-R393 IonicContact OD1-CZ 2.83Å; D373-R393 IonicContact OD1-NH2 3.17Å; D373-R393 PolarHBondContact OD1-NH2 3.14Å; D373-R393 IonicContact OD2-CZ 3.2Å; D373-R393 IonicContact OD2-NH1 2.68Å; D373-R393 IonicContact OD2-NH2 3.38Å; D373-R393 PolarHBondContact OD2-NH2 3.15Å; S389-R393 WeakPolarHBondContact O-CB 3.35Å; S389-R393 PolarHBondContact O-N 3.46Å; V390-R393 PolarHBondContact O-N 3.38Å; R393-R396 PolarHBondContact O-N 3.08Å; R393-N397 PolarHBondContact O-N 3.1Å
394S97Very high92.9Very high0 Ų051.6 Ų51.60%025%0.248CC..Hα-helixtrans-66.1-43.1-178.873.50000112.8M341 Y371 V390 G391 R396 N397 Y398M341-S394 WeakPolarHBondContact CE-OG 3.32Å; Y371-S394 WeakPolarHBondContact OH-CA 3.4Å; V390-S394 VanDerWaalsContact O-CB 3.28Å; V390-S394 WeakPolarHBondContact O-CB 3.41Å; V390-S394 PolarHBondContact O-N 2.88Å; V390-S394 PolarHBondContact O-OG 3.3Å; G391-S394 PolarHBondContact O-OG 2.73Å; G391-S394 VanDerWaalsContact O-OG 3.07Å; S394-R396 PolarHBondContact O-N 3.45Å; S394-N397 PolarHBondContact O-N 3Å; S394-Y398 WeakPolarHBondContact O-CB 3.45Å; S394-Y398 PolarHBondContact O-N 3.08Å
395M97.6Very high93.9Very high8 Ų846.4 Ų46.44%0.03922%0.221CC..Hα-helixtrans-58.4-47173.5-178.5174.464.700111.5L127 K130 M379 A382 G391 N397 Y398 I399L127-M395 HydrophobicContact CD1-CG 3.64Å; L127-M395 HydrophobicContact CD1-SD 3.76Å; K130-M395 HydrophobicContact CD-CE 3.72Å; K130-M395 HydrophobicContact CD-SD 4.17Å; M379-M395 HydrophobicContact CG-CB 3.97Å; A382-M395 HydrophobicContact CB-CB 4.25Å; A382-M395 HydrophobicContact CB-CE 3.77Å; A382-M395 HydrophobicContact CB-SD 3.95Å; G391-M395 VanDerWaalsContact O-CB 3.27Å; G391-M395 WeakPolarHBondContact O-CB 2.85Å; G391-M395 PolarHBondContact O-N 3.34Å; M395-N397 PolarHBondContact O-N 3.36Å; M395-Y398 PolarHBondContact O-N 2.71Å; M395-I399 HydrophobicContact CG-CD1 3.9Å; M395-I399 VanDerWaalsContact O-CG1 3.23Å; M395-I399 WeakPolarHBondContact O-CG1 3.3Å; M395-I399 PolarHBondContact O-N 3.18Å
396R97.4Very high95Very high136 Ų13642.2 Ų42.251%0.51319%0.193SC..Hα-helixtrans-63.9-40.9179.3-75.2-174.3-58.5-161.11.7112.9Q392 R393 S394 R400Q392-R396 WeakPolarHBondContact O-CB 3.36Å; Q392-R396 WeakPolarHBondContact O-CG 3.43Å; Q392-R396 PolarHBondContact O-N 2.79Å; R393-R396 PolarHBondContact O-N 3.08Å; S394-R396 PolarHBondContact O-N 3.45Å; R396-R400 VanDerWaalsContact O-CB 3.31Å; R396-R400 WeakPolarHBondContact O-CB 3.39Å; R396-R400 PolarHBondContact O-N 2.84Å
397N98.2Very high95.9Very high42 Ų4242.7 Ų42.723%0.22520%0.195CC..Hα-helixtrans-67.9-43179-74-1.7000111.5Y371 R393 S394 M395 R400 W401Y371-N397 VanDerWaalsContact OH-CB 3.22Å; Y371-N397 WeakPolarHBondContact OH-CB 3.3Å; Y371-N397 PolarHBondContact OH-ND2 3.48Å; R393-N397 PolarHBondContact O-N 3.1Å; S394-N397 PolarHBondContact O-N 3Å; M395-N397 PolarHBondContact O-N 3.36Å; N397-R400 PolarHBondContact O-N 3.21Å; N397-W401 PolarHBondContact O-N 3.48Å
398Y98.6Very high96.7Very high0 Ų041.1 Ų41.10%019%0.186CC..Hα-helixtrans-56.9-50.1172.9161.3-122.7000111.8L127 M131 S185 A215 I217 Y339 M379 S394 M395 R400 W401 L402L127-Y398 HydrophobicContact CD1-CE1 4.39Å; M131-Y398 HydrophobicContact CG-CE1 4.48Å; M131-Y398 HydrophobicContact SD-CE1 3.47Å; M131-Y398 WeakPolarHBondContact SD-CE1 3.38Å; M131-Y398 PolarHBondContact SD-OH 3.49Å; S185-Y398 WeakPolarHBondContact CB-OH 3.15Å; S185-Y398 PolarHBondContact OG-OH 2.92Å; A215-Y398 HydrophobicContact CB-CD2 4.24Å; A215-Y398 HydrophobicContact CB-CE2 3.56Å; I217-Y398 HydrophobicContact CD1-CD2 4.46Å; I217-Y398 HydrophobicContact CD1-CE2 4.17Å; Y339-Y398 HydrophobicContact CD1-CD2 4.08Å; Y339-Y398 AromaticContact CE1-CD2 3.99Å; Y339-Y398 HydrophobicContact CE1-CD2 3.99Å; Y339-Y398 HydrophobicContact CE1-CG 4.45Å; M379-Y398 HydrophobicContact SD-CD1 3.97Å; S394-Y398 WeakPolarHBondContact O-CB 3.45Å; S394-Y398 PolarHBondContact O-N 3.08Å; M395-Y398 PolarHBondContact O-N 2.71Å; Y398-R400 PolarHBondContact O-N 3.44Å; Y398-W401 WeakPolarHBondContact O-CB 3.48Å; Y398-W401 PolarHBondContact O-N 2.98Å; Y398-L402 HydrophobicContact CD2-CD1 4.28Å; Y398-L402 HydrophobicContact CD2-CG 4.25Å; Y398-L402 HydrophobicContact CE1-CD1 4.14Å; Y398-L402 HydrophobicContact CE2-CD1 3.54Å; Y398-L402 HydrophobicContact CE2-CD2 4.11Å; Y398-L402 HydrophobicContact CE2-CG 3.77Å; Y398-L402 VanDerWaalsContact CZ-CD1 3.47Å; Y398-L402 PolarHBondContact O-N 3.44Å; Y398-L402 WeakPolarHBondContact OH-CD1 3.21Å
399I98.6Very high97.1Very high5 Ų543.1 Ų43.13%0.02620%0.195CC..Hα-helixtrans-62.1-43.5178-66175.5000110.9K130 M131 D134 L135 M395 W401 L402 D403K130-I399 HydrophobicContact CB-CD1 4.26Å; K130-I399 HydrophobicContact CD-CD1 3.93Å; K130-I399 HydrophobicContact CG-CD1 3.78Å; M131-I399 HydrophobicContact CG-CD1 4.02Å; M131-I399 HydrophobicContact CG-CG1 3.83Å; D134-I399 HydrophobicContact CB-CG2 3.8Å; L135-I399 HydrophobicContact CD1-CG2 4.41Å; L135-I399 HydrophobicContact CD2-CG2 3.87Å; L135-I399 WeakPolarHBondContact CD2-O 3.4Å; L135-I399 HydrophobicContact CG-CG2 4.04Å; M395-I399 HydrophobicContact CG-CD1 3.9Å; M395-I399 VanDerWaalsContact O-CG1 3.23Å; M395-I399 WeakPolarHBondContact O-CG1 3.3Å; M395-I399 PolarHBondContact O-N 3.18Å; I399-W401 VanDerWaalsContact C-N 3.28Å; I399-W401 PolarHBondContact O-N 3.36Å; I399-L402 WeakPolarHBondContact O-CB 3.48Å; I399-L402 PolarHBondContact O-N 2.94Å; I399-D403 PolarHBondContact O-N 3.44Å
400R98.6Very high97.3Very high143 Ų14343 Ų4354%0.5419%0.187SC..Hα-helixtrans-59.7-40.1175.8-178.3-175.8-63.6157.50.3112R396 N397 Y398 L402 D403 Q404R396-R400 VanDerWaalsContact O-CB 3.31Å; R396-R400 WeakPolarHBondContact O-CB 3.39Å; R396-R400 PolarHBondContact O-N 2.84Å; N397-R400 PolarHBondContact O-N 3.21Å; Y398-R400 PolarHBondContact O-N 3.44Å; R400-L402 VanDerWaalsContact C-N 3.34Å; R400-D403 PolarHBondContact O-N 2.81Å; R400-Q404 WeakPolarHBondContact O-CG 3.4Å; R400-Q404 PolarHBondContact O-N 2.74Å
401W98.7Very high97.5Very high13 Ų1345.7 Ų45.75%0.04920%0.199CC..Hα-helixtrans-63.3-42.5177.3-176.288.8000111.3A213 A215 K337 Y339 T367 N397 Y398 I399 D403 Q404 N405A213-W401 HydrophobicContact CB-CH2 3.83Å; A213-W401 HydrophobicContact CB-CZ3 4.02Å; A215-W401 HydrophobicContact CB-CZ3 4.43Å; K337-W401 HydrophobicContact CD-CZ2 4.39Å; Y339-W401 HydrophobicContact CD2-CB 4.02Å; Y339-W401 AromaticContact CD2-CD1 3.76Å; Y339-W401 AromaticContact CD2-CD2 3.8Å; Y339-W401 HydrophobicContact CD2-CD2 3.8Å; Y339-W401 HydrophobicContact CD2-CE3 4.42Å; Y339-W401 AromaticContact CD2-CG 3.57Å; Y339-W401 HydrophobicContact CD2-CG 3.57Å; Y339-W401 HydrophobicContact CE2-CB 4.19Å; Y339-W401 HydrophobicContact CE2-CG 4.19Å; Y339-W401 AromaticContact CG-CD2 3.94Å; Y339-W401 HydrophobicContact CG-CD2 3.94Å; Y339-W401 HydrophobicContact CG-CE3 4.11Å; Y339-W401 HydrophobicContact CG-CG 4.16Å; T367-W401 PolarHBondContact OG1-NE1 2.78Å; N397-W401 PolarHBondContact O-N 3.48Å; Y398-W401 WeakPolarHBondContact O-CB 3.48Å; Y398-W401 PolarHBondContact O-N 2.98Å; I399-W401 VanDerWaalsContact C-N 3.28Å; I399-W401 PolarHBondContact O-N 3.36Å; W401-D403 PolarHBondContact O-N 3.26Å; W401-Q404 PolarHBondContact O-N 2.94Å; W401-N405 HydrophobicContact CD2-CB 4.35Å; W401-N405 VanDerWaalsContact CE2-ND2 3.34Å; W401-N405 HydrophobicContact CE3-CB 4.39Å; W401-N405 HydrophobicContact CH2-CB 4.17Å; W401-N405 HydrophobicContact CZ2-CB 4.1Å; W401-N405 HydrophobicContact CZ3-CB 4.3Å; W401-N405 PolarHBondContact NE1-ND2 3.35Å; W401-N405 WeakPolarHBondContact O-CB 3.48Å; W401-N405 PolarHBondContact O-N 2.92Å; W401-N405 VanDerWaalsContact O-N 3.09Å; W401-N405 PolarHBondContact O-ND2 3.24Å
402L98.6Very high97.6Very high0 Ų048.7 Ų48.70%021%0.212CC..Hα-helixtrans-60.3-43.6174.3-68.9175.9000112.1V106 M131 L135 C183 Y398 I399 R400 Q404 N405 L406V106-L402 HydrophobicContact CG2-CD1 4.44Å; M131-L402 HydrophobicContact SD-CD1 3.95Å; L135-L402 HydrophobicContact CD1-CB 3.78Å; L135-L402 HydrophobicContact CD1-CD1 3.83Å; L135-L402 HydrophobicContact CD1-CG 4.5Å; L135-L402 HydrophobicContact CD2-CB 4.34Å; C183-L402 HydrophobicContact CB-CD2 4.12Å; Y398-L402 HydrophobicContact CD2-CD1 4.28Å; Y398-L402 HydrophobicContact CD2-CG 4.25Å; Y398-L402 HydrophobicContact CE1-CD1 4.14Å; Y398-L402 HydrophobicContact CE2-CD1 3.54Å; Y398-L402 HydrophobicContact CE2-CD2 4.11Å; Y398-L402 HydrophobicContact CE2-CG 3.77Å; Y398-L402 VanDerWaalsContact CZ-CD1 3.47Å; Y398-L402 PolarHBondContact O-N 3.44Å; Y398-L402 WeakPolarHBondContact OH-CD1 3.21Å; I399-L402 WeakPolarHBondContact O-CB 3.48Å; I399-L402 PolarHBondContact O-N 2.94Å; R400-L402 VanDerWaalsContact C-N 3.34Å; L402-Q404 VanDerWaalsContact C-N 3.25Å; L402-Q404 PolarHBondContact O-N 3.46Å; L402-N405 PolarHBondContact O-N 3.44Å; L402-L406 HydrophobicContact CB-CD1 4.44Å; L402-L406 HydrophobicContact CD2-CD1 4.14Å; L402-L406 WeakPolarHBondContact O-CB 3.39Å; L402-L406 PolarHBondContact O-N 2.96Å
403D97.9Very high97.8Very high74 Ų7448 Ų4840%0.39621%0.208SC..Hα-helixtrans-57.7-40.1178.1-174.840.1000112.3R104 L135 I399 R400 W401R104-D403 IonicContact CZ-OD1 3.55Å; R104-D403 IonicContact NH1-OD1 3.88Å; R104-D403 PolarHBondContact NH2-O 2.68Å; R104-D403 IonicContact NH2-OD1 3.72Å; R104-D403 PolarHBondContact NH2-OD1 3.32Å; L135-D403 HydrophobicContact CD2-CB 3.52Å; I399-D403 PolarHBondContact O-N 3.44Å; R400-D403 PolarHBondContact O-N 2.81Å; W401-D403 PolarHBondContact O-N 3.26Å
404Q97.9Very high97.9Very high137 Ų13745.6 Ų45.664%0.6420%0.201SC*.Hα-helixtrans-77.4-22.9-178.9-68.5173.5-11.700113.8R400 W401 L402R400-Q404 WeakPolarHBondContact O-CG 3.4Å; R400-Q404 PolarHBondContact O-N 2.74Å; W401-Q404 PolarHBondContact O-N 2.94Å; L402-Q404 VanDerWaalsContact C-N 3.25Å; L402-Q404 PolarHBondContact O-N 3.46Å
405N97.9Very high98Very high22 Ų2249.4 Ų49.412%0.11822%0.218CC..Hα-helixtrans-114.7-9.2-170.2-73.5-83.5000114.6K212 K337 W401 L402K212-N405 WeakPolarHBondContact CE-O 3.29Å; K337-N405 HydrophobicContact CD-CB 4.27Å; K337-N405 PolarHBondContact NZ-OD1 3.41Å; W401-N405 HydrophobicContact CD2-CB 4.35Å; W401-N405 VanDerWaalsContact CE2-ND2 3.34Å; W401-N405 HydrophobicContact CE3-CB 4.39Å; W401-N405 HydrophobicContact CH2-CB 4.17Å; W401-N405 HydrophobicContact CZ2-CB 4.1Å; W401-N405 HydrophobicContact CZ3-CB 4.3Å; W401-N405 PolarHBondContact NE1-ND2 3.35Å; W401-N405 WeakPolarHBondContact O-CB 3.48Å; W401-N405 PolarHBondContact O-N 2.92Å; W401-N405 VanDerWaalsContact O-N 3.09Å; W401-N405 PolarHBondContact O-ND2 3.24Å; L402-N405 PolarHBondContact O-N 3.44Å
406L95.6Very high98Very high13 Ų1353.2 Ų53.27%0.06823%0.234CC..  trans-1070170.3-61.8-178000110R104 V106 R181 C183 K212 A213 L402R104-L406 HydrophobicContact CB-CB 4.4Å; R104-L406 HydrophobicContact CB-CD1 4.35Å; R104-L406 HydrophobicContact CG-CB 3.88Å; R104-L406 PolarHBondContact NE-OXT 3Å; R104-L406 PolarHBondContact NH2-OXT 2.93Å; V106-L406 HydrophobicContact CG2-CD1 3.99Å; R181-L406 HydrophobicContact CB-CB 4.4Å; R181-L406 VanDerWaalsContact CG-O 3.32Å; R181-L406 WeakPolarHBondContact CG-O 3.42Å; R181-L406 VanDerWaalsContact NE-C 3.3Å; R181-L406 PolarHBondContact NE-O 2.96Å; R181-L406 PolarHBondContact NE-OXT 3.33Å; R181-L406 PolarHBondContact NH2-OXT 3.27Å; C183-L406 HydrophobicContact CB-CD1 3.84Å; C183-L406 HydrophobicContact CB-CD2 4.04Å; C183-L406 HydrophobicContact CB-CG 4.42Å; K212-L406 HydrophobicContact CB-CD2 4.47Å; K212-L406 PolarHBondContact NZ-O 3.32Å; K212-L406 VanDerWaalsContact NZ-O 3.08Å; A213-L406 HydrophobicContact CB-CD2 4.12Å; L402-L406 HydrophobicContact CB-CD1 4.44Å; L402-L406 HydrophobicContact CD2-CD1 4.14Å; L402-L406 WeakPolarHBondContact O-CB 3.39Å; L402-L406 PolarHBondContact O-N 2.96Å

Retrieved 406 of 406 residues in 518.8 ms (Link to these results)

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