A0A2K5ZP18_MANLE Loading...

Serine/threonine-protein kinase Kist

Upon serum stimulation, phosphorylates CDKN1B/p27Kip1, thus controlling CDKN1B subcellular location and cell cycle progression in G1 phase. May be involved in trafficking and/or processing of RNA.

AlphaFold DB , UniProt , Accession A0A2K5ZP18, Species MANLE (Mandrillus leucophaeus, Drill), Gene UHMK1, Length 419 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
1M30.3Very low42.2Very low245 Ų245105.9 Ų105.9100%1.20772%0.719SS**  0126.50-85-166.9-85.800108.2
2A29.3Very low45.5Very low102 Ų10297.9 Ų97.984%0.84367%0.665SS**  trans17.7114.6171.800000119.4S4A2-S4 PolarHBondContact O-N 2.68Å
3G32.2Very low48.7Very low84 Ų8494.5 Ų94.587%0.86664%0.64SS**  trans-64.2122.4161.300000110.7G5G3-G5 VanDerWaalsContact C-N 3.32Å; G3-G5 PolarHBondContact O-N 3.3Å; G3-G5 VanDerWaalsContact O-N 3.13Å
4S30.9Very low51.6Low120 Ų120100.4 Ų100.484%0.83964%0.642SS**  trans-81.980.117056.90000109.2A2 C6A2-S4 PolarHBondContact O-N 2.68Å; S4-C6 PolarHBondContact O-N 3.12Å; S4-C6 VanDerWaalsContact O-N 3.07Å
5G30Very low54.3Low74 Ų7499.9 Ų99.976%0.76363%0.627SS**  trans-63.3103.4160.200000108.1G3 A7G3-G5 VanDerWaalsContact C-N 3.32Å; G3-G5 PolarHBondContact O-N 3.3Å; G3-G5 VanDerWaalsContact O-N 3.13Å; G5-A7 PolarHBondContact O-N 3.22Å
6C35Very low56.5Low109 Ų10994.4 Ų94.474%0.73659%0.591SS**  trans-65102.5168.1-133.10000106.6S4 W8S4-C6 PolarHBondContact O-N 3.12Å; S4-C6 VanDerWaalsContact O-N 3.07Å; C6-W8 VanDerWaalsContact C-N 3.31Å; C6-W8 PolarHBondContact O-N 3.44Å
7A37.6Very low58.4Low99 Ų9997.6 Ų97.682%0.81860%0.598SS**  trans-67.593173.900000107.9G5 G9G5-A7 PolarHBondContact O-N 3.22Å; A7-G9 PolarHBondContact O-N 3.06Å
8W47.2Very low60.1Low101 Ų10192.6 Ų92.638%0.38357%0.567SS.*  trans-55.6119.2166.9-70.289.6000107.8C6 G32 S33C6-W8 VanDerWaalsContact C-N 3.31Å; C6-W8 PolarHBondContact O-N 3.44Å; W8-G32 WeakPolarHBondContact CH2-O 3.22Å; W8-G32 WeakPolarHBondContact CZ2-O 3.45Å; W8-S33 WeakPolarHBondContact CH2-O 3.48Å
9G53Low61.6Low31 Ų3193.4 Ų93.432%0.3256%0.563SS.*  trans-64.4174-176.300000113.9A7 E11 P58A7-G9 PolarHBondContact O-N 3.06Å; G9-E11 PolarHBondContact O-N 2.71Å; G9-P58 VanDerWaalsContact CA-CB 3.4Å; G9-P58 VanDerWaalsContact N-CB 3.31Å
10A63.4Low62.9Low56 Ų5692.3 Ų92.346%0.46357%0.571SS.*  trans-33.8127.3-164.600000115.2P59 F100A10-P59 HydrophobicContact CB-CG 4.27Å; A10-F100 HydrophobicContact CB-CD1 4.19Å; A10-F100 HydrophobicContact CB-CE1 4.11Å
11E75.1Confident64.2Low144 Ų14493.6 Ų93.667%0.67357%0.565SS**PPolyproline II helixtrans-53.9145.3168.4-66.4-170.915200110.3G9 F100G9-E11 PolarHBondContact O-N 2.71Å; E11-F100 WeakPolarHBondContact O-CE1 3.5Å
12P82.3Confident67.1Low10 Ų1085.7 Ų85.77%0.06553%0.527CS..PPolyproline II helixtrans-56.2151.3175.528.4-36.8000110.3R14 V25 Y38 L53 I98P12-R14 PolarHBondContact O-N 3.45Å; P12-V25 HydrophobicContact CB-CG2 4.31Å; P12-V25 HydrophobicContact CG-CG1 3.96Å; P12-V25 HydrophobicContact CG-CG2 4.21Å; P12-Y38 HydrophobicContact CG-CD1 4.1Å; P12-Y38 HydrophobicContact CG-CD2 3.9Å; P12-Y38 HydrophobicContact CG-CE1 4.07Å; P12-Y38 HydrophobicContact CG-CE2 3.86Å; P12-Y38 HydrophobicContact CG-CG 4.03Å; P12-L53 HydrophobicContact CB-CD2 4.27Å; P12-L53 HydrophobicContact CG-CD2 4.38Å; P12-I98 HydrophobicContact CB-CD1 4.23Å
13P86.3Confident70.1Confident54 Ų5481.6 Ų81.635%0.35149%0.49SS..PPolyproline II helixtrans-57.2144.3178.427-35.3000109.9F15 L16 V25 I98P13-F15 WeakPolarHBondContact CB-O 3.33Å; P13-F15 PolarHBondContact O-N 3.33Å; P13-L16 HydrophobicContact CG-CB 4.4Å; P13-V25 VanDerWaalsContact O-CG2 3.23Å; P13-V25 WeakPolarHBondContact O-CG2 3.39Å; P13-I98 HydrophobicContact CG-CG2 4.26Å
14R90.1Very high73.1Confident176 Ų17680 Ų8066%0.66446%0.46SS*.SBendtrans-52.6-30.7-179.6-174.5177.9-179-174-0.1112.7P12 Q24 V25P12-R14 PolarHBondContact O-N 3.45Å; R14-Q24 CarbonylContact O-C 3.56Å; R14-Q24 WeakPolarHBondContact O-CA 3.38Å; R14-V25 PolarHBondContact O-N 2.99Å
15F91.4Very high76.1Confident93 Ų9375.1 Ų75.141%0.40843%0.425SS..EExtended strand (participates in β ladder)trans-128138.6172.9-60.3-85.2000109.9P13 L22 W23 Q24P13-F15 WeakPolarHBondContact CB-O 3.33Å; P13-F15 PolarHBondContact O-N 3.33Å; F15-L22 HydrophobicContact CB-CD1 4.06Å; F15-L22 HydrophobicContact CD1-CD2 4.33Å; F15-L22 HydrophobicContact CD1-CG 4.44Å; F15-W23 CarbonylContact C-O 3.57Å; F15-W23 VanDerWaalsContact CA-O 3.27Å; F15-W23 WeakPolarHBondContact CA-O 3.39Å; F15-Q24 HydrophobicContact CD1-CB 3.97Å; F15-Q24 HydrophobicContact CD1-CG 4.2Å; F15-Q24 HydrophobicContact CE1-CB 3.81Å; F15-Q24 HydrophobicContact CE1-CG 3.76Å; F15-Q24 HydrophobicContact CZ-CG 4.3Å
16L90Very high79.1Confident12 Ų1274.8 Ų74.86%0.06340%0.404CS..EExtended strand (participates in β ladder)trans-135.9147176.362.190.9000110.2P13 A18 W23 V25 L53 F96 I98P13-L16 HydrophobicContact CG-CB 4.4Å; L16-A18 HydrophobicContact CD1-CB 3.97Å; L16-W23 HydrophobicContact CD1-CB 3.69Å; L16-W23 HydrophobicContact CD1-CG 4.03Å; L16-W23 HydrophobicContact CG-CB 3.96Å; L16-W23 PolarHBondContact N-O 2.95Å; L16-W23 PolarHBondContact O-N 3.27Å; L16-V25 HydrophobicContact CD2-CG2 3.58Å; L16-V25 HydrophobicContact CG-CG2 4.47Å; L16-L53 HydrophobicContact CD2-CD2 3.6Å; L16-F96 HydrophobicContact CD1-CE2 3.85Å; L16-F96 HydrophobicContact CD1-CZ 3.75Å; L16-F96 HydrophobicContact CD2-CZ 4.4Å; L16-I98 HydrophobicContact CD2-CD1 4.08Å
17E89.3Confident81.8Confident150 Ų15072.7 Ų72.770%0.70139%0.39SS*.EExtended strand (participates in β ladder)trans-100.1125.6173.5-167.5177.9162.400109.4R21E17-R21 WeakPolarHBondContact CA-O 3.5Å
18A88.6Confident84.5Confident6 Ų672.6 Ų72.65%0.0537%0.368CS..EExtended strand (participates in β ladder)trans-146.7133.3176.200000109.3L16 G20 R21 W23 F96L16-A18 HydrophobicContact CD1-CB 3.97Å; A18-G20 VanDerWaalsContact C-N 3.29Å; A18-G20 PolarHBondContact O-N 3.09Å; A18-R21 PolarHBondContact N-O 2.9Å; A18-R21 PolarHBondContact O-N 3.41Å; A18-R21 VanDerWaalsContact O-N 3.08Å; A18-R21 VanDerWaalsContact O-O 3.12Å; A18-W23 PolarHBondContact O-NE1 3.44Å; A18-F96 HydrophobicContact CB-CD1 4.12Å; A18-F96 HydrophobicContact CB-CD2 4.13Å; A18-F96 HydrophobicContact CB-CE1 4.17Å; A18-F96 HydrophobicContact CB-CE2 4.17Å; A18-F96 HydrophobicContact CB-CG 4.09Å; A18-F96 HydrophobicContact CB-CZ 4.16Å
19F88.9Confident86.6Confident109 Ų10971.9 Ų71.948%0.47837%0.372SS..THydrogen-bonded Turntrans55.840.5179.2-43.9-68.3000113.5R21 F96 L110F19-R21 PolarHBondContact O-N 3.11Å; F19-F96 HydrophobicContact CE2-CD1 4.08Å; F19-F96 HydrophobicContact CZ-CB 4.31Å; F19-F96 HydrophobicContact CZ-CD1 4.15Å; F19-L110 HydrophobicContact CD2-CD2 4.09Å; F19-L110 HydrophobicContact CE2-CB 4.3Å; F19-L110 HydrophobicContact CE2-CD2 3.94Å
20G86.6Confident88.2Confident70 Ų7071.9 Ų71.972%0.72237%0.371SS*.THydrogen-bonded Turntrans67.516.7-179.100000114.2A18A18-G20 VanDerWaalsContact C-N 3.29Å; A18-G20 PolarHBondContact O-N 3.09Å
21R89.7Confident89.2Confident120 Ų12072.7 Ų72.745%0.45337%0.374SS..EExtended strand (participates in β ladder)trans-125.7141.6179.6-64.4179.5-179.9-136.75.1110.2E17 A18 F19 W23 S48E17-R21 WeakPolarHBondContact CA-O 3.5Å; A18-R21 PolarHBondContact N-O 2.9Å; A18-R21 PolarHBondContact O-N 3.41Å; A18-R21 VanDerWaalsContact O-N 3.08Å; A18-R21 VanDerWaalsContact O-O 3.12Å; F19-R21 PolarHBondContact O-N 3.11Å; R21-W23 VanDerWaalsContact O-CD1 3.27Å; R21-S48 PolarHBondContact NH1-OG 2.83Å
22L91.9Very high89.2Confident80 Ų8067.8 Ų67.842%0.41936%0.362SS..EExtended strand (participates in β ladder)trans-83.4131.5169.9-170.969.8000109F15 C43F15-L22 HydrophobicContact CB-CD1 4.06Å; F15-L22 HydrophobicContact CD1-CD2 4.33Å; F15-L22 HydrophobicContact CD1-CG 4.44Å; L22-C43 HydrophobicContact CB-CB 4.05Å; L22-C43 HydrophobicContact CD2-CB 4.09Å; L22-C43 HydrophobicContact CG-CB 4.21Å; L22-C43 WeakPolarHBondContact O-CB 3.46Å; L22-C43 PolarHBondContact O-N 3.46Å
23W92.8Very high88.7Confident16 Ų1672.9 Ų72.96%0.06140%0.398CS..EExtended strand (participates in β ladder)trans-119.3132.4177.6-63.782.6000109.4F15 L16 A18 R21 V40 R41 C42 L110F15-W23 CarbonylContact C-O 3.57Å; F15-W23 VanDerWaalsContact CA-O 3.27Å; F15-W23 WeakPolarHBondContact CA-O 3.39Å; L16-W23 HydrophobicContact CD1-CB 3.69Å; L16-W23 HydrophobicContact CD1-CG 4.03Å; L16-W23 HydrophobicContact CG-CB 3.96Å; L16-W23 PolarHBondContact N-O 2.95Å; L16-W23 PolarHBondContact O-N 3.27Å; A18-W23 PolarHBondContact O-NE1 3.44Å; R21-W23 VanDerWaalsContact O-CD1 3.27Å; W23-V40 HydrophobicContact CE3-CB 4.07Å; W23-V40 HydrophobicContact CE3-CG2 3.71Å; W23-V40 HydrophobicContact CZ3-CG2 4.12Å; W23-R41 CarbonylContact C-O 3.55Å; W23-R41 WeakPolarHBondContact CA-O 3.22Å; W23-C42 HydrophobicContact CD2-CB 4.33Å; W23-C42 HydrophobicContact CE3-CB 4.06Å; W23-C42 HydrophobicContact CH2-CB 4.09Å; W23-C42 HydrophobicContact CZ2-CB 4.34Å; W23-C42 HydrophobicContact CZ3-CB 3.94Å; W23-L110 HydrophobicContact CH2-CD2 3.93Å; W23-L110 HydrophobicContact CZ2-CD2 3.56Å; W23-L110 HydrophobicContact CZ3-CD1 4.47Å
24Q94.3Very high88.3Confident51 Ų5172.2 Ų72.224%0.23839%0.394CS..EExtended strand (participates in β ladder)trans-90.1123.1169.8-176.4177.646.900109.3R14 F15 V40 R41R14-Q24 CarbonylContact O-C 3.56Å; R14-Q24 WeakPolarHBondContact O-CA 3.38Å; F15-Q24 HydrophobicContact CD1-CB 3.97Å; F15-Q24 HydrophobicContact CD1-CG 4.2Å; F15-Q24 HydrophobicContact CE1-CB 3.81Å; F15-Q24 HydrophobicContact CE1-CG 3.76Å; F15-Q24 HydrophobicContact CZ-CG 4.3Å; Q24-V40 CarbonylContact O-C 3.54Å; Q24-V40 VanDerWaalsContact O-CA 3.28Å; Q24-V40 WeakPolarHBondContact O-CA 3.36Å; Q24-R41 PolarHBondContact N-O 3.41Å; Q24-R41 PolarHBondContact O-N 2.92Å
25V94.1Very high88.2Confident16 Ų1664.1 Ų64.110%0.09737%0.365CS..EExtended strand (participates in β ladder)trans-76.6128.7167.4-172.50000109.1P12 P13 R14 L16 Y38 V40 L53P12-V25 HydrophobicContact CB-CG2 4.31Å; P12-V25 HydrophobicContact CG-CG1 3.96Å; P12-V25 HydrophobicContact CG-CG2 4.21Å; P13-V25 VanDerWaalsContact O-CG2 3.23Å; P13-V25 WeakPolarHBondContact O-CG2 3.39Å; R14-V25 PolarHBondContact O-N 2.99Å; L16-V25 HydrophobicContact CD2-CG2 3.58Å; L16-V25 HydrophobicContact CG-CG2 4.47Å; V25-Y38 HydrophobicContact CG1-CD1 4.09Å; V25-Y38 HydrophobicContact CG1-CG 4.15Å; V25-V40 HydrophobicContact CB-CG1 4.47Å; V25-V40 HydrophobicContact CG2-CG1 4.06Å; V25-L53 HydrophobicContact CG2-CD2 4.38Å
26Q93.3Very high88.1Confident68 Ų6860 Ų6032%0.31835%0.348SS..EExtended strand (participates in β ladder)trans-105.3-118.8180-59.2-174.2-38.500109R39Q26-R39 HydrophobicContact CB-CB 4.28Å; Q26-R39 HydrophobicContact CB-CG 4.39Å; Q26-R39 PolarHBondContact N-O 3.31Å; Q26-R39 VanDerWaalsContact OE1-CD 3.23Å
27S92.3Very high88.3Confident64 Ų6461.2 Ų61.245%0.44836%0.356SS..EExtended strand (participates in β ladder)trans-88.4151-177.755.90000112.8Y38 R39S27-Y38 WeakPolarHBondContact O-CA 3.44Å; S27-R39 PolarHBondContact O-N 2.99Å
28R93.3Very high88.6Confident97 Ų9754.6 Ų54.637%0.36632%0.324SS..EExtended strand (participates in β ladder)trans-68.9129.3164.4-165.2179.1-169.8-176.57.6109.6S31 S36 Y38R28-S31 VanDerWaalsContact CZ-CB 3.42Å; R28-S36 PolarHBondContact NH2-OG 3.06Å; R28-Y38 HydrophobicContact CB-CD1 3.89Å; R28-Y38 HydrophobicContact CB-CE1 3.85Å; R28-Y38 HydrophobicContact CG-CD1 4.07Å; R28-Y38 HydrophobicContact CG-CE1 3.79Å
29L92.1Very high88.9Confident87 Ų8757.1 Ų57.146%0.45533%0.332SS..EExtended strand (participates in β ladder)trans-92.9-33.4178.5-63.1175.5000111.7V37 R39 A52 L113L29-V37 HydrophobicContact CB-CB 4.43Å; L29-V37 HydrophobicContact CB-CG1 4.32Å; L29-V37 HydrophobicContact CD1-CG1 4.21Å; L29-V37 PolarHBondContact N-O 3.42Å; L29-R39 HydrophobicContact CD1-CB 4.08Å; L29-R39 HydrophobicContact CD2-CB 4.07Å; L29-R39 HydrophobicContact CG-CB 4.08Å; L29-A52 HydrophobicContact CD1-CB 4.39Å; L29-L113 HydrophobicContact CD1-CD1 3.52Å
30G87Confident89.2Confident30 Ų3052 Ų5231%0.30931%0.31SS..EExtended strand (participates in β ladder)trans-171.6168.6-18000000113.7V37G30-V37 PolarHBondContact N-O 3.03Å; G30-V37 PolarHBondContact O-N 3.41Å
31S83.9Confident89.5Confident74 Ų7453.2 Ų53.252%0.51729%0.293SS..EExtended strand (participates in β ladder)trans-141.4120.3177.861.60000110.3R28R28-S31 VanDerWaalsContact CZ-CB 3.42Å
32G75.6Confident89.5Confident40 Ų4047.9 Ų47.941%0.41227%0.274SS..  trans-102.3-170.8172.400000111.5W8 A35W8-G32 WeakPolarHBondContact CH2-O 3.22Å; W8-G32 WeakPolarHBondContact CZ2-O 3.45Å; G32-A35 PolarHBondContact N-O 3.17Å
33S71.6Confident89.4Confident118 Ų11846.1 Ų46.183%0.82527%0.268SS*.SBendtrans-74.7-21.8176.353.20000114W8W8-S33 WeakPolarHBondContact CH2-O 3.48Å
34S77.6Confident88.8Confident40 Ų4049.5 Ų49.528%0.2831%0.308SS..SBendtrans-116.7-22-175.354.30000114L57S34-L57 PolarHBondContact O-N 3.31Å
35A87.8Confident87.9Confident5 Ų550.7 Ų50.74%0.04132%0.315CS..EExtended strand (participates in β ladder)trans-151157.9-171.600000113.3G32 K54 Q55 F56G32-A35 PolarHBondContact N-O 3.17Å; A35-K54 HydrophobicContact CB-CD 4.38Å; A35-K54 HydrophobicContact CB-CG 3.78Å; A35-Q55 CarbonylContact C-O 3.58Å; A35-Q55 WeakPolarHBondContact CA-O 3.39Å; A35-Q55 VanDerWaalsContact CB-O 3.3Å; A35-Q55 WeakPolarHBondContact CB-O 3.39Å; A35-F56 HydrophobicContact CB-CD1 4.03Å; A35-F56 HydrophobicContact CB-CD2 4.5Å; A35-F56 HydrophobicContact CB-CE1 4.2Å; A35-F56 HydrophobicContact CB-CG 4.19Å; A35-F56 HydrophobicContact CB-CZ 4.5Å
36S90.1Very high86.5Confident7 Ų755.6 Ų55.65%0.04935%0.348CS..EExtended strand (participates in β ladder)trans-116.3142.1168.9-63.40000110.1R28 Y38 K54 Q55R28-S36 PolarHBondContact NH2-OG 3.06Å; S36-Y38 VanDerWaalsContact CB-CE2 3.48Å; S36-K54 CarbonylContact O-C 3.55Å; S36-K54 WeakPolarHBondContact O-CA 3.26Å; S36-Q55 PolarHBondContact N-O 3.08Å; S36-Q55 PolarHBondContact O-N 3.34Å
37V94.3Very high85.4Confident38 Ų3855.4 Ų55.423%0.2336%0.364CS..EExtended strand (participates in β ladder)trans-112.8132.3-179-170.60000109.3L29 G30 A52 L53 K54L29-V37 HydrophobicContact CB-CB 4.43Å; L29-V37 HydrophobicContact CB-CG1 4.32Å; L29-V37 HydrophobicContact CD1-CG1 4.21Å; L29-V37 PolarHBondContact N-O 3.42Å; G30-V37 PolarHBondContact N-O 3.03Å; G30-V37 PolarHBondContact O-N 3.41Å; V37-A52 HydrophobicContact CG1-CB 4.06Å; V37-L53 CarbonylContact C-O 3.52Å; V37-L53 VanDerWaalsContact CA-O 3.26Å; V37-L53 WeakPolarHBondContact CA-O 3.32Å; V37-K54 HydrophobicContact CG2-CB 4.26Å; V37-K54 HydrophobicContact CG2-CD 4.44Å; V37-K54 HydrophobicContact CG2-CG 4.01Å
38Y94.9Very high84.7Confident10 Ų1053.2 Ų53.24%0.03935%0.349CS..EExtended strand (participates in β ladder)trans-126.7143.7-179-58-95.8000110.7P12 V25 S27 R28 S36 A52 L53 Q55P12-Y38 HydrophobicContact CG-CD1 4.1Å; P12-Y38 HydrophobicContact CG-CD2 3.9Å; P12-Y38 HydrophobicContact CG-CE1 4.07Å; P12-Y38 HydrophobicContact CG-CE2 3.86Å; P12-Y38 HydrophobicContact CG-CG 4.03Å; V25-Y38 HydrophobicContact CG1-CD1 4.09Å; V25-Y38 HydrophobicContact CG1-CG 4.15Å; S27-Y38 WeakPolarHBondContact O-CA 3.44Å; R28-Y38 HydrophobicContact CB-CD1 3.89Å; R28-Y38 HydrophobicContact CB-CE1 3.85Å; R28-Y38 HydrophobicContact CG-CD1 4.07Å; R28-Y38 HydrophobicContact CG-CE1 3.79Å; S36-Y38 VanDerWaalsContact CB-CE2 3.48Å; Y38-A52 CarbonylContact O-C 3.54Å; Y38-A52 WeakPolarHBondContact O-CA 3.47Å; Y38-L53 PolarHBondContact N-O 2.64Å; Y38-L53 PolarHBondContact O-N 2.88Å; Y38-Q55 HydrophobicContact CE2-CB 4.42Å
39R95.3Very high84.1Confident59 Ų5952.3 Ų52.322%0.22336%0.356CS..EExtended strand (participates in β ladder)trans-72.6133.9168-176.4177.6178.7122.13.5108.9Q26 S27 L29 L113Q26-R39 HydrophobicContact CB-CB 4.28Å; Q26-R39 HydrophobicContact CB-CG 4.39Å; Q26-R39 PolarHBondContact N-O 3.31Å; Q26-R39 VanDerWaalsContact OE1-CD 3.23Å; S27-R39 PolarHBondContact O-N 2.99Å; L29-R39 HydrophobicContact CD1-CB 4.08Å; L29-R39 HydrophobicContact CD2-CB 4.07Å; L29-R39 HydrophobicContact CG-CB 4.08Å; R39-L113 HydrophobicContact CG-CD2 4.04Å
40V94.8Very high84Confident1 Ų149.4 Ų49.41%0.00634%0.342CS..EExtended strand (participates in β ladder)trans-129.4148.9175.3-62.60000111.2W23 Q24 V25 P50 G51 L53 L110W23-V40 HydrophobicContact CE3-CB 4.07Å; W23-V40 HydrophobicContact CE3-CG2 3.71Å; W23-V40 HydrophobicContact CZ3-CG2 4.12Å; Q24-V40 CarbonylContact O-C 3.54Å; Q24-V40 VanDerWaalsContact O-CA 3.28Å; Q24-V40 WeakPolarHBondContact O-CA 3.36Å; V25-V40 HydrophobicContact CB-CG1 4.47Å; V25-V40 HydrophobicContact CG2-CG1 4.06Å; V40-P50 WeakPolarHBondContact O-CA 3.27Å; V40-G51 WeakPolarHBondContact CG2-O 3.44Å; V40-G51 PolarHBondContact N-O 3.41Å; V40-G51 PolarHBondContact O-N 3.43Å; V40-L53 HydrophobicContact CG1-CB 3.61Å; V40-L53 HydrophobicContact CG1-CD2 4.21Å; V40-L53 HydrophobicContact CG2-CB 4.38Å; V40-L110 HydrophobicContact CG2-CD1 3.57Å
41R91.9Very high84.4Confident97 Ų9748 Ų4837%0.36633%0.327SS..EExtended strand (participates in β ladder)trans-129.5134.5175.9178.7177.1-80.8175.7-8.6109.8W23 Q24 C43W23-R41 CarbonylContact C-O 3.55Å; W23-R41 WeakPolarHBondContact CA-O 3.22Å; Q24-R41 PolarHBondContact N-O 3.41Å; Q24-R41 PolarHBondContact O-N 2.92Å; R41-C43 PolarHBondContact O-N 2.91Å
42C90.7Very high85Confident8 Ų844.9 Ų44.95%0.05431%0.306CS..EExtended strand (participates in β ladder)trans-68.9129.5175.3-172.50000110.4W23W23-C42 HydrophobicContact CD2-CB 4.33Å; W23-C42 HydrophobicContact CE3-CB 4.06Å; W23-C42 HydrophobicContact CH2-CB 4.09Å; W23-C42 HydrophobicContact CZ2-CB 4.34Å; W23-C42 HydrophobicContact CZ3-CB 3.94Å
43C89.1Confident86Confident43 Ų4343 Ų4329%0.29129%0.286SS..SBendtrans-79.5149176.4-58.90000110.8L22 R41 N45L22-C43 HydrophobicContact CB-CB 4.05Å; L22-C43 HydrophobicContact CD2-CB 4.09Å; L22-C43 HydrophobicContact CG-CB 4.21Å; L22-C43 WeakPolarHBondContact O-CB 3.46Å; L22-C43 PolarHBondContact O-N 3.46Å; R41-C43 PolarHBondContact O-N 2.91Å; C43-N45 PolarHBondContact O-N 3.11Å
44G81.7Confident87.1Confident87 Ų8738 Ų3890%0.89725%0.25SS*.SBendtrans77.6-5173.400000115.6
45N74.6Confident87.7Confident75 Ų7536.6 Ų36.640%0.40124%0.239SC..  trans-137.390.2170.8-171.5-10000110.3C43 G47 S48C43-N45 PolarHBondContact O-N 3.11Å; N45-G47 PolarHBondContact O-N 3.34Å; N45-G47 VanDerWaalsContact O-N 3.12Å; N45-G47 PolarHBondContact OD1-N 2.96Å; N45-S48 VanDerWaalsContact CG-OG 3.27Å; N45-S48 PolarHBondContact ND2-OG 3.33Å; N45-S48 VanDerWaalsContact ND2-OG 3.12Å; N45-S48 WeakPolarHBondContact O-CB 3.48Å; N45-S48 PolarHBondContact O-N 3.5Å
46P65.5Low87.7Confident120 Ų12036.5 Ų36.578%0.77924%0.237SC*.THydrogen-bonded Turntrans-57.3-25.5-178.2-23.733.1000114.2
47G68.3Low87Confident64 Ų6437.7 Ų37.766%0.6624%0.243SC*.THydrogen-bonded Turntrans-86.2-3.1178.400000114.7N45N45-G47 PolarHBondContact O-N 3.34Å; N45-G47 VanDerWaalsContact O-N 3.12Å; N45-G47 PolarHBondContact OD1-N 2.96Å
48S78.3Confident85.4Confident18 Ų1837.2 Ų37.213%0.12624%0.241CC..SBendtrans-72.5134.1174.1-71.40000110.5R21 N45R21-S48 PolarHBondContact NH1-OG 2.83Å; N45-S48 VanDerWaalsContact CG-OG 3.27Å; N45-S48 PolarHBondContact ND2-OG 3.33Å; N45-S48 VanDerWaalsContact ND2-OG 3.12Å; N45-S48 WeakPolarHBondContact O-CB 3.48Å; N45-S48 PolarHBondContact O-N 3.5Å
49P81.4Confident83.3Confident78 Ų7838.4 Ų38.451%0.50625%0.25SC..PPolyproline II helixtrans-61.2143.5179.825.3-33.3000110.4
50P90.4Very high81.5Confident25 Ų2538.2 Ų38.216%0.16227%0.266CS..PPolyproline II helixtrans-65.7160.2172.431.4-35.7000110.7V40 L113V40-P50 WeakPolarHBondContact O-CA 3.27Å; P50-L113 HydrophobicContact CB-CB 4.37Å; P50-L113 HydrophobicContact CB-CD2 3.76Å; P50-L113 HydrophobicContact CG-CB 4.21Å; P50-L113 HydrophobicContact CG-CD2 3.67Å
51G94.3Very high80.2Confident0 Ų040.4 Ų40.40%028%0.279CS..EExtended strand (participates in β ladder)trans-125169.4177.800000112.8V40 L111V40-G51 WeakPolarHBondContact CG2-O 3.44Å; V40-G51 PolarHBondContact N-O 3.41Å; V40-G51 PolarHBondContact O-N 3.43Å; G51-L111 CarbonylContact C-O 3.6Å; G51-L111 VanDerWaalsContact CA-O 3.29Å; G51-L111 WeakPolarHBondContact CA-O 3.45Å
52A96.7Very high79.1Confident9 Ų941.8 Ų41.87%0.07430%0.299CS..EExtended strand (participates in β ladder)trans-112.3117.8168.500000109.6L29 V37 Y38 L111 L113L29-A52 HydrophobicContact CD1-CB 4.39Å; V37-A52 HydrophobicContact CG1-CB 4.06Å; Y38-A52 CarbonylContact O-C 3.54Å; Y38-A52 WeakPolarHBondContact O-CA 3.47Å; A52-L111 HydrophobicContact CB-CB 4.32Å; A52-L111 PolarHBondContact N-O 3.24Å; A52-L111 PolarHBondContact O-N 3.43Å; A52-L113 HydrophobicContact CB-CD1 4.13Å
53L96.1Very high78.5Confident0 Ų043.8 Ų43.80%032%0.321CS..EExtended strand (participates in β ladder)trans-89.2109.7174.3174.465.3000109.6P12 L16 V25 V37 Y38 V40 F96 I98 C108 L109P12-L53 HydrophobicContact CB-CD2 4.27Å; P12-L53 HydrophobicContact CG-CD2 4.38Å; L16-L53 HydrophobicContact CD2-CD2 3.6Å; V25-L53 HydrophobicContact CG2-CD2 4.38Å; V37-L53 CarbonylContact C-O 3.52Å; V37-L53 VanDerWaalsContact CA-O 3.26Å; V37-L53 WeakPolarHBondContact CA-O 3.32Å; Y38-L53 PolarHBondContact N-O 2.64Å; Y38-L53 PolarHBondContact O-N 2.88Å; V40-L53 HydrophobicContact CG1-CB 3.61Å; V40-L53 HydrophobicContact CG1-CD2 4.21Å; V40-L53 HydrophobicContact CG2-CB 4.38Å; L53-F96 HydrophobicContact CD1-CE1 3.67Å; L53-F96 HydrophobicContact CD1-CE2 4.39Å; L53-F96 HydrophobicContact CD1-CZ 3.34Å; L53-I98 HydrophobicContact CD2-CD1 4.28Å; L53-C108 HydrophobicContact CD1-CB 3.66Å; L53-L109 WeakPolarHBondContact CA-O 3.44Å
54K94.9Very high77.7Confident15 Ų1545.9 Ų45.97%0.06534%0.341CS..EExtended strand (participates in β ladder)trans-93.7108.3169.5-170.8171.5-170.61780109.1A35 S36 V37 F56 E76 C108 L109 L111 D177A35-K54 HydrophobicContact CB-CD 4.38Å; A35-K54 HydrophobicContact CB-CG 3.78Å; S36-K54 CarbonylContact O-C 3.55Å; S36-K54 WeakPolarHBondContact O-CA 3.26Å; V37-K54 HydrophobicContact CG2-CB 4.26Å; V37-K54 HydrophobicContact CG2-CD 4.44Å; V37-K54 HydrophobicContact CG2-CG 4.01Å; K54-F56 HydrophobicContact CB-CE2 4.19Å; K54-F56 HydrophobicContact CD-CE2 3.88Å; K54-F56 HydrophobicContact CD-CZ 3.68Å; K54-F56 HydrophobicContact CG-CD2 4.34Å; K54-F56 HydrophobicContact CG-CE2 3.63Å; K54-F56 HydrophobicContact CG-CZ 3.92Å; K54-E76 WeakPolarHBondContact CE-OE2 3.35Å; K54-E76 IonicContact NZ-OE1 3.38Å; K54-E76 PolarHBondContact NZ-OE1 3.47Å; K54-E76 IonicContact NZ-OE2 3.73Å; K54-E76 PolarHBondContact NZ-OE2 3.07Å; K54-C108 CarbonylContact O-C 3.57Å; K54-C108 VanDerWaalsContact O-CA 3.31Å; K54-C108 WeakPolarHBondContact O-CA 3.31Å; K54-L109 HydrophobicContact CB-CB 4.32Å; K54-L109 PolarHBondContact N-O 3.16Å; K54-L109 PolarHBondContact O-N 2.9Å; K54-L111 HydrophobicContact CB-CD1 4.26Å; K54-D177 IonicContact NZ-OD1 3.89Å; K54-D177 PolarHBondContact NZ-OD1 3.25Å
55Q91.4Very high77.3Confident9 Ų944.5 Ų44.54%0.04232%0.321CS..EExtended strand (participates in β ladder)trans-96.9119.6177.9-177.5-173.24.500110.1A35 S36 Y38 F100 S106A35-Q55 CarbonylContact C-O 3.58Å; A35-Q55 WeakPolarHBondContact CA-O 3.39Å; A35-Q55 VanDerWaalsContact CB-O 3.3Å; A35-Q55 WeakPolarHBondContact CB-O 3.39Å; S36-Q55 PolarHBondContact N-O 3.08Å; S36-Q55 PolarHBondContact O-N 3.34Å; Y38-Q55 HydrophobicContact CE2-CB 4.42Å; Q55-F100 VanDerWaalsContact NE2-CE2 3.32Å; Q55-F100 VanDerWaalsContact NE2-CZ 3.27Å; Q55-S106 PolarHBondContact NE2-OG 3.26Å
56F87.4Confident77.3Confident3 Ų341.9 Ų41.91%0.01331%0.31CS..EExtended strand (participates in β ladder)trans-92.7132.1174.2-62.6-104.7000109A35 K54 F73 E76 R107 L109A35-F56 HydrophobicContact CB-CD1 4.03Å; A35-F56 HydrophobicContact CB-CD2 4.5Å; A35-F56 HydrophobicContact CB-CE1 4.2Å; A35-F56 HydrophobicContact CB-CG 4.19Å; A35-F56 HydrophobicContact CB-CZ 4.5Å; K54-F56 HydrophobicContact CB-CE2 4.19Å; K54-F56 HydrophobicContact CD-CE2 3.88Å; K54-F56 HydrophobicContact CD-CZ 3.68Å; K54-F56 HydrophobicContact CG-CD2 4.34Å; K54-F56 HydrophobicContact CG-CE2 3.63Å; K54-F56 HydrophobicContact CG-CZ 3.92Å; F56-F73 HydrophobicContact CB-CB 4.11Å; F56-F73 HydrophobicContact CD1-CB 3.72Å; F56-F73 HydrophobicContact CD2-CB 4.23Å; F56-F73 AromaticContact CD2-CD2 3.77Å; F56-F73 HydrophobicContact CD2-CD2 3.77Å; F56-F73 HydrophobicContact CD2-CG 4.44Å; F56-F73 HydrophobicContact CE1-CB 4.16Å; F56-F73 AromaticContact CE2-CD2 4Å; F56-F73 HydrophobicContact CE2-CD2 4Å; F56-F73 HydrophobicContact CG-CB 3.76Å; F56-F73 HydrophobicContact CG-CD2 4.16Å; F56-F73 HydrophobicContact CG-CG 4.39Å; F56-E76 VanDerWaalsContact CZ-OE2 3.24Å; F56-E76 WeakPolarHBondContact CZ-OE2 3.34Å; F56-R107 HydrophobicContact CB-CB 4.34Å; F56-R107 PolarHBondContact N-O 3.08Å; F56-R107 PolarHBondContact O-N 3.26Å; F56-L109 HydrophobicContact CE2-CB 4.45Å; F56-L109 HydrophobicContact CE2-CD1 3.59Å; F56-L109 HydrophobicContact CE2-CG 3.67Å; F56-L109 HydrophobicContact CZ-CD1 3.77Å; F56-L109 HydrophobicContact CZ-CG 4.35Å
57L74.3Confident78Confident32 Ų3240.1 Ų40.117%0.16830%0.301CS..SBendtrans60.9137-175.3-68.3169.9000117.7S34 T61 A66 A69 S106S34-L57 PolarHBondContact O-N 3.31Å; L57-T61 HydrophobicContact CD2-CG2 3.85Å; L57-A66 HydrophobicContact CD1-CB 4.27Å; L57-A69 HydrophobicContact CD1-CB 3.87Å; L57-A69 HydrophobicContact CD2-CB 3.28Å; L57-A69 HydrophobicContact CG-CB 3.27Å; L57-S106 PolarHBondContact O-OG 2.79Å
58P60.9Low78.4Confident28 Ų2840.2 Ų40.218%0.18230%0.295CS..  trans-75.1153.2161.622.6-19.2000112.3G9 G60 T61G9-P58 VanDerWaalsContact CA-CB 3.4Å; G9-P58 VanDerWaalsContact N-CB 3.31Å; P58-G60 PolarHBondContact O-N 3.33Å; P58-T61 WeakPolarHBondContact CD-OG1 3.31Å; P58-T61 WeakPolarHBondContact CG-OG1 3.45Å; P58-T61 PolarHBondContact O-N 3.12Å; P58-T61 PolarHBondContact O-OG1 3Å
59P51.8Low78.5Confident36 Ų3639.5 Ų39.523%0.23429%0.291CS..THydrogen-bonded Turntrans-52.3127.1175.3-32.441.5000113.6A10 F100 V104A10-P59 HydrophobicContact CB-CG 4.27Å; P59-F100 HydrophobicContact CB-CB 4.14Å; P59-F100 HydrophobicContact CB-CD2 4.22Å; P59-F100 HydrophobicContact CB-CG 4.17Å; P59-F100 HydrophobicContact CG-CB 3.84Å; P59-F100 HydrophobicContact CG-CD1 3.83Å; P59-F100 HydrophobicContact CG-CD2 3.2Å; P59-F100 HydrophobicContact CG-CE1 4.13Å; P59-F100 HydrophobicContact CG-CE2 3.54Å; P59-F100 HydrophobicContact CG-CG 3.33Å; P59-F100 HydrophobicContact CG-CZ 3.98Å; P59-V104 VanDerWaalsContact C-CG1 3.42Å; P59-V104 HydrophobicContact CB-CB 4.41Å; P59-V104 HydrophobicContact CB-CG1 3.26Å; P59-V104 HydrophobicContact CG-CG1 4.27Å
60G57.4Low78.6Confident55 Ų5539 Ų3957%0.56728%0.281SS*.THydrogen-bonded Turntrans916.4170.600000115P58 T62P58-G60 PolarHBondContact O-N 3.33Å; G60-T62 PolarHBondContact O-N 3.02Å
61T66.2Low78.4Confident46 Ų4642.3 Ų42.328%0.28229%0.292SS..  trans-66.9124.8175.8-49.50000110.4L57 P58 A65 A66L57-T61 HydrophobicContact CD2-CG2 3.85Å; P58-T61 WeakPolarHBondContact CD-OG1 3.31Å; P58-T61 WeakPolarHBondContact CG-OG1 3.45Å; P58-T61 PolarHBondContact O-N 3.12Å; P58-T61 PolarHBondContact O-OG1 3Å; T61-A65 HydrophobicContact CG2-CB 3.77Å; T61-A66 HydrophobicContact CG2-CB 4.31Å; T61-A66 WeakPolarHBondContact O-CB 3.27Å
62T69.8Low78Confident126 Ų12642.8 Ų42.877%0.77330%0.297SS*.  trans-120.9161177.957.30000111.7G60G60-T62 PolarHBondContact O-N 3.02Å
63G77.9Confident77.7Confident51 Ų5142.7 Ų42.753%0.52629%0.294SS..THydrogen-bonded Turntrans78.1-151.3174.700000113.6A65 A66 S67G63-A65 VanDerWaalsContact C-N 3.28Å; G63-A65 PolarHBondContact O-N 3.41Å; G63-A66 WeakPolarHBondContact O-CB 3.43Å; G63-A66 PolarHBondContact O-N 2.88Å; G63-S67 PolarHBondContact O-N 2.77Å
64A73.3Confident77.5Confident86 Ų8650.3 Ų50.371%0.71132%0.323SS*.Hα-helixtrans-58.7-34.7-169.600000114.2S67 A68A64-S67 PolarHBondContact O-N 3.49Å; A64-A68 WeakPolarHBondContact O-CB 3.45Å; A64-A68 PolarHBondContact O-N 2.81Å
65A72.2Confident77.3Confident58 Ų5850.5 Ų50.548%0.47932%0.324SS..Hα-helixtrans-65.9-38.2177.400000112.3T61 G63 A68 A69T61-A65 HydrophobicContact CG2-CB 3.77Å; G63-A65 VanDerWaalsContact C-N 3.28Å; G63-A65 PolarHBondContact O-N 3.41Å; A65-A68 PolarHBondContact O-N 2.77Å; A65-A69 PolarHBondContact O-N 2.78Å; A65-A69 VanDerWaalsContact O-N 3.17Å
66A75.8Confident77.4Confident20 Ų2050.3 Ų50.317%0.16532%0.323CS..Hα-helixtrans-65.1-46.1175.800000111L57 T61 G63 A68 A69 E70L57-A66 HydrophobicContact CD1-CB 4.27Å; T61-A66 HydrophobicContact CG2-CB 4.31Å; T61-A66 WeakPolarHBondContact O-CB 3.27Å; G63-A66 WeakPolarHBondContact O-CB 3.43Å; G63-A66 PolarHBondContact O-N 2.88Å; A66-A68 PolarHBondContact O-N 2.9Å; A66-A69 PolarHBondContact O-N 2.92Å; A66-E70 WeakPolarHBondContact O-CB 3.22Å; A66-E70 PolarHBondContact O-N 2.99Å
67S78.9Confident77.8Confident84 Ų8454.4 Ų54.459%0.58734%0.338SS*.Hα-helixtrans-61.7-42.3177-56.30000112.4G63 A64 A69 Y71G63-S67 PolarHBondContact O-N 2.77Å; A64-S67 PolarHBondContact O-N 3.49Å; S67-A69 PolarHBondContact O-N 2.79Å; S67-Y71 VanDerWaalsContact O-CB 3.23Å; S67-Y71 WeakPolarHBondContact O-CB 3.48Å; S67-Y71 PolarHBondContact O-N 3.46Å
68A77.8Confident78.8Confident65 Ų6555 Ų5554%0.53735%0.347SS..Hα-helixtrans-64.3-39.8-179.500000112.7A64 A65 A66 G72A64-A68 WeakPolarHBondContact O-CB 3.45Å; A64-A68 PolarHBondContact O-N 2.81Å; A65-A68 PolarHBondContact O-N 2.77Å; A66-A68 PolarHBondContact O-N 2.9Å; A68-G72 PolarHBondContact O-N 3.1Å
69A78.8Confident80.4Confident4 Ų453.7 Ų53.73%0.03334%0.339CS..Hα-helixtrans-81.9-31.5-179.300000113.3L57 A65 A66 S67 Y71 G72 F73L57-A69 HydrophobicContact CD1-CB 3.87Å; L57-A69 HydrophobicContact CD2-CB 3.28Å; L57-A69 HydrophobicContact CG-CB 3.27Å; A65-A69 PolarHBondContact O-N 2.78Å; A65-A69 VanDerWaalsContact O-N 3.17Å; A66-A69 PolarHBondContact O-N 2.92Å; S67-A69 PolarHBondContact O-N 2.79Å; A69-Y71 VanDerWaalsContact C-N 3.31Å; A69-G72 PolarHBondContact O-N 3.24Å; A69-F73 WeakPolarHBondContact O-CB 3.42Å; A69-F73 PolarHBondContact O-N 3.23Å
70E84.8Confident82.6Confident66 Ų6652 Ų5231%0.30833%0.328SS..Hα-helixtrans-63.2-41167.8-179.565.1-16300110.7A66 F73 R74 R107A66-E70 WeakPolarHBondContact O-CB 3.22Å; A66-E70 PolarHBondContact O-N 2.99Å; E70-F73 PolarHBondContact O-N 3.33Å; E70-R74 WeakPolarHBondContact O-CB 3.35Å; E70-R74 WeakPolarHBondContact O-CG 3.45Å; E70-R74 PolarHBondContact O-N 2.91Å; E70-R107 IonicContact OE2-NE 3.14Å
71Y85.2Confident84.4Confident96 Ų9654.1 Ų54.138%0.37632%0.324SS..Hα-helixtrans-59.9-50.8172.5178.3-92.6000111.4S67 A69 F73 R74 K75 D188 V189S67-Y71 VanDerWaalsContact O-CB 3.23Å; S67-Y71 WeakPolarHBondContact O-CB 3.48Å; S67-Y71 PolarHBondContact O-N 3.46Å; A69-Y71 VanDerWaalsContact C-N 3.31Å; Y71-F73 VanDerWaalsContact C-N 3.32Å; Y71-F73 PolarHBondContact O-N 3.37Å; Y71-R74 PolarHBondContact O-N 3Å; Y71-K75 HydrophobicContact CE1-CD 3.86Å; Y71-K75 VanDerWaalsContact O-CB 3.25Å; Y71-K75 WeakPolarHBondContact O-CB 3.23Å; Y71-K75 PolarHBondContact O-N 2.84Å; Y71-D188 WeakPolarHBondContact OH-CB 3.23Å; Y71-D188 PolarHBondContact OH-O 3.37Å; Y71-D188 PolarHBondContact OH-OD1 3.27Å; Y71-D188 PolarHBondContact OH-OD2 2.88Å; Y71-V189 HydrophobicContact CE1-CG1 4.26Å
72G86.4Confident85.8Confident10 Ų1056.7 Ų56.710%0.10333%0.332CS..Hα-helixtrans-57.7-43.4177.100000112.7A68 A69 K75 E76A68-G72 PolarHBondContact O-N 3.1Å; A69-G72 PolarHBondContact O-N 3.24Å; G72-K75 PolarHBondContact O-N 3.07Å; G72-E76 WeakPolarHBondContact O-CB 3.4Å; G72-E76 PolarHBondContact O-N 3.15Å
73F91.4Very high87Confident6 Ų650.7 Ų50.73%0.02630%0.295CS..Hα-helixtrans-60-52.7174.9166.8-107.2000112.1F56 A69 E70 Y71 K75 E76 R77 V95 R107 L109F56-F73 HydrophobicContact CB-CB 4.11Å; F56-F73 HydrophobicContact CD1-CB 3.72Å; F56-F73 HydrophobicContact CD2-CB 4.23Å; F56-F73 AromaticContact CD2-CD2 3.77Å; F56-F73 HydrophobicContact CD2-CD2 3.77Å; F56-F73 HydrophobicContact CD2-CG 4.44Å; F56-F73 HydrophobicContact CE1-CB 4.16Å; F56-F73 AromaticContact CE2-CD2 4Å; F56-F73 HydrophobicContact CE2-CD2 4Å; F56-F73 HydrophobicContact CG-CB 3.76Å; F56-F73 HydrophobicContact CG-CD2 4.16Å; F56-F73 HydrophobicContact CG-CG 4.39Å; A69-F73 WeakPolarHBondContact O-CB 3.42Å; A69-F73 PolarHBondContact O-N 3.23Å; E70-F73 PolarHBondContact O-N 3.33Å; Y71-F73 VanDerWaalsContact C-N 3.32Å; Y71-F73 PolarHBondContact O-N 3.37Å; F73-K75 VanDerWaalsContact C-N 3.29Å; F73-K75 PolarHBondContact O-N 3.35Å; F73-E76 PolarHBondContact O-N 2.93Å; F73-R77 WeakPolarHBondContact O-CB 3.31Å; F73-R77 PolarHBondContact O-N 3.48Å; F73-V95 HydrophobicContact CE2-CG1 3.72Å; F73-V95 HydrophobicContact CZ-CG1 3.42Å; F73-V95 VanDerWaalsContact CZ-CG1 3.42Å; F73-R107 HydrophobicContact CB-CB 4.41Å; F73-R107 HydrophobicContact CD1-CB 3.78Å; F73-R107 HydrophobicContact CD1-CG 3.68Å; F73-R107 HydrophobicContact CD2-CB 3.62Å; F73-R107 HydrophobicContact CD2-CG 4.44Å; F73-R107 HydrophobicContact CE1-CB 3.86Å; F73-R107 HydrophobicContact CE1-CG 3.71Å; F73-R107 HydrophobicContact CE2-CB 3.68Å; F73-R107 HydrophobicContact CE2-CG 4.45Å; F73-R107 HydrophobicContact CG-CB 3.65Å; F73-R107 HydrophobicContact CG-CG 4.05Å; F73-R107 HydrophobicContact CZ-CB 3.79Å; F73-R107 HydrophobicContact CZ-CG 4.09Å; F73-L109 HydrophobicContact CD2-CD2 4.2Å; F73-L109 HydrophobicContact CD2-CG 4.37Å; F73-L109 HydrophobicContact CE2-CD2 3.68Å; F73-L109 HydrophobicContact CE2-CG 4.23Å
74R91.1Very high87.8Confident161 Ų16151.2 Ų51.261%0.60828%0.284SS*.Hα-helixtrans-59.6-42.2-179.1-78.617852.1128.12.4111.9E70 Y71 A78E70-R74 WeakPolarHBondContact O-CB 3.35Å; E70-R74 WeakPolarHBondContact O-CG 3.45Å; E70-R74 PolarHBondContact O-N 2.91Å; Y71-R74 PolarHBondContact O-N 3Å; R74-A78 VanDerWaalsContact O-CB 3.29Å; R74-A78 WeakPolarHBondContact O-CB 3.47Å; R74-A78 PolarHBondContact O-N 3.3Å
75K90.3Very high88.7Confident19 Ų1951.1 Ų51.18%0.08329%0.291CS..Hα-helixtrans-65.2-53.5-178.9-178.7167.8176.5170.20111.2Y71 G72 F73 R77 A78 A79 G179 L180 S181 D188 V189Y71-K75 HydrophobicContact CE1-CD 3.86Å; Y71-K75 VanDerWaalsContact O-CB 3.25Å; Y71-K75 WeakPolarHBondContact O-CB 3.23Å; Y71-K75 PolarHBondContact O-N 2.84Å; G72-K75 PolarHBondContact O-N 3.07Å; F73-K75 VanDerWaalsContact C-N 3.29Å; F73-K75 PolarHBondContact O-N 3.35Å; K75-R77 VanDerWaalsContact C-N 3.35Å; K75-R77 PolarHBondContact O-N 2.68Å; K75-A78 PolarHBondContact O-N 2.86Å; K75-A79 PolarHBondContact O-N 3.21Å; K75-G179 WeakPolarHBondContact CD-O 3.34Å; K75-L180 PolarHBondContact NZ-O 3.01Å; K75-S181 WeakPolarHBondContact CE-O 3.15Å; K75-S181 PolarHBondContact NZ-O 3.28Å; K75-D188 IonicContact NZ-OD1 3.07Å; K75-D188 PolarHBondContact NZ-OD1 2.94Å; K75-D188 IonicContact NZ-OD2 3.9Å; K75-V189 VanDerWaalsContact NZ-CG2 3.34Å
76E94.3Very high89.9Confident4 Ų450.3 Ų50.32%0.01928%0.277CS..Hα-helixtrans-64.4-40.1179.8-172.8168-179.200112K54 F56 G72 F73 A79 L80 L109 F178K54-E76 WeakPolarHBondContact CE-OE2 3.35Å; K54-E76 IonicContact NZ-OE1 3.38Å; K54-E76 PolarHBondContact NZ-OE1 3.47Å; K54-E76 IonicContact NZ-OE2 3.73Å; K54-E76 PolarHBondContact NZ-OE2 3.07Å; F56-E76 VanDerWaalsContact CZ-OE2 3.24Å; F56-E76 WeakPolarHBondContact CZ-OE2 3.34Å; G72-E76 WeakPolarHBondContact O-CB 3.4Å; G72-E76 PolarHBondContact O-N 3.15Å; F73-E76 PolarHBondContact O-N 2.93Å; E76-A79 PolarHBondContact O-N 2.84Å; E76-L80 HydrophobicContact CG-CD1 3.94Å; E76-L80 HydrophobicContact CG-CG 4.42Å; E76-L80 WeakPolarHBondContact O-CB 3.48Å; E76-L80 WeakPolarHBondContact O-CG 3.29Å; E76-L80 PolarHBondContact O-N 2.88Å; E76-L109 HydrophobicContact CG-CD1 4.11Å; E76-F178 HydrophobicContact CG-CB 4.18Å
77R95.7Very high90.9Very high90 Ų9055.2 Ų55.234%0.3429%0.292SS..Hα-helixtrans-57.7-51.6173.6-170.7-163.279.5-173.6-1.6111.3F73 K75 A79 L80 E81 V95 L109F73-R77 WeakPolarHBondContact O-CB 3.31Å; F73-R77 PolarHBondContact O-N 3.48Å; K75-R77 VanDerWaalsContact C-N 3.35Å; K75-R77 PolarHBondContact O-N 2.68Å; R77-A79 VanDerWaalsContact C-N 3.35Å; R77-A79 PolarHBondContact O-N 2.85Å; R77-L80 PolarHBondContact O-N 2.88Å; R77-E81 WeakPolarHBondContact CD-OE1 3.27Å; R77-E81 HydrophobicContact CG-CG 4.21Å; R77-E81 IonicContact CZ-OE2 3.62Å; R77-E81 IonicContact NE-OE1 2.82Å; R77-E81 IonicContact NE-OE2 2.6Å; R77-E81 PolarHBondContact NE-OE2 3.34Å; R77-E81 VanDerWaalsContact NE-OE2 3.14Å; R77-E81 IonicContact NH2-OE2 3.78Å; R77-E81 WeakPolarHBondContact O-CB 3.37Å; R77-E81 VanDerWaalsContact O-CG 3.29Å; R77-E81 WeakPolarHBondContact O-CG 3.47Å; R77-E81 PolarHBondContact O-N 2.75Å; R77-V95 HydrophobicContact CG-CG1 4.47Å; R77-V95 HydrophobicContact CG-CG2 3.76Å; R77-L109 HydrophobicContact CB-CD2 4.28Å; R77-L109 HydrophobicContact CG-CD2 4.26Å
78A94.8Very high91.9Very high43 Ų4351.2 Ų51.236%0.35526%0.264SS..Hα-helixtrans-63-41-177.100000112.3R74 K75 Q82R74-A78 VanDerWaalsContact O-CB 3.29Å; R74-A78 WeakPolarHBondContact O-CB 3.47Å; R74-A78 PolarHBondContact O-N 3.3Å; K75-A78 PolarHBondContact O-N 2.86Å; A78-Q82 PolarHBondContact O-N 2.83Å
79A95.6Very high92.9Very high2 Ų248.3 Ų48.32%0.01724%0.239CC..Hα-helixtrans-62.3-51.117400000110.9K75 E76 R77 E81 Q82 L83 Y154 F178K75-A79 PolarHBondContact O-N 3.21Å; E76-A79 PolarHBondContact O-N 2.84Å; R77-A79 VanDerWaalsContact C-N 3.35Å; R77-A79 PolarHBondContact O-N 2.85Å; A79-E81 PolarHBondContact O-N 3.46Å; A79-Q82 PolarHBondContact O-N 2.97Å; A79-L83 HydrophobicContact CB-CD1 4.25Å; A79-L83 VanDerWaalsContact O-CB 3.31Å; A79-L83 WeakPolarHBondContact O-CB 3.33Å; A79-L83 WeakPolarHBondContact O-CD1 3.19Å; A79-L83 WeakPolarHBondContact O-CG 3.33Å; A79-L83 PolarHBondContact O-N 2.98Å; A79-Y154 HydrophobicContact CB-CD1 4.45Å; A79-Y154 HydrophobicContact CB-CE1 4Å; A79-F178 HydrophobicContact CB-CB 3.9Å; A79-F178 HydrophobicContact CB-CG 4.45Å
80L96.6Very high93.8Very high0 Ų048.3 Ų48.30%024%0.239CC..Hα-helixtrans-63.2-40-178.7-75.3173.2000113.1E76 R77 Q82 L83 Q84 V90 L92 L109 L111 F178E76-L80 HydrophobicContact CG-CD1 3.94Å; E76-L80 HydrophobicContact CG-CG 4.42Å; E76-L80 WeakPolarHBondContact O-CB 3.48Å; E76-L80 WeakPolarHBondContact O-CG 3.29Å; E76-L80 PolarHBondContact O-N 2.88Å; R77-L80 PolarHBondContact O-N 2.88Å; L80-Q82 VanDerWaalsContact C-N 3.3Å; L80-Q82 PolarHBondContact O-N 2.88Å; L80-L83 PolarHBondContact O-N 3.15Å; L80-Q84 WeakPolarHBondContact O-CG 3.23Å; L80-Q84 PolarHBondContact O-N 3.28Å; L80-Q84 PolarHBondContact O-NE2 3.24Å; L80-V90 HydrophobicContact CD2-CG1 3.74Å; L80-L92 HydrophobicContact CB-CB 4.38Å; L80-L92 HydrophobicContact CB-CD2 4.07Å; L80-L109 HydrophobicContact CD1-CD1 4.09Å; L80-L111 HydrophobicContact CD1-CD2 3.87Å; L80-F178 HydrophobicContact CD2-CD2 3.49Å; L80-F178 VanDerWaalsContact CD2-CD2 3.49Å; L80-F178 HydrophobicContact CD2-CE2 3.71Å; L80-F178 HydrophobicContact CD2-CG 4.34Å; L80-F178 HydrophobicContact CG-CD2 4.09Å
81E95.6Very high94.4Very high100 Ų10047.4 Ų47.447%0.46724%0.238SC..Hα-helixtrans-60.8-38.1176.5-76.7171.815900111.7R77 A79 L92R77-E81 WeakPolarHBondContact CD-OE1 3.27Å; R77-E81 HydrophobicContact CG-CG 4.21Å; R77-E81 IonicContact CZ-OE2 3.62Å; R77-E81 IonicContact NE-OE1 2.82Å; R77-E81 IonicContact NE-OE2 2.6Å; R77-E81 PolarHBondContact NE-OE2 3.34Å; R77-E81 VanDerWaalsContact NE-OE2 3.14Å; R77-E81 IonicContact NH2-OE2 3.78Å; R77-E81 WeakPolarHBondContact O-CB 3.37Å; R77-E81 VanDerWaalsContact O-CG 3.29Å; R77-E81 WeakPolarHBondContact O-CG 3.47Å; R77-E81 PolarHBondContact O-N 2.75Å; A79-E81 PolarHBondContact O-N 3.46Å; E81-L92 HydrophobicContact CG-CD2 4.05Å
82Q95.4Very high94.9Very high99 Ų9943.9 Ų43.946%0.46323%0.225SC..Hα-helixtrans-77.2-35.6178.5-1776631.700112.8A78 A79 L80 E152 Y154A78-Q82 PolarHBondContact O-N 2.83Å; A79-Q82 PolarHBondContact O-N 2.97Å; L80-Q82 VanDerWaalsContact C-N 3.3Å; L80-Q82 PolarHBondContact O-N 2.88Å; Q82-E152 PolarHBondContact NE2-OE2 3.35Å; Q82-Y154 HydrophobicContact CB-CE2 4.35Å; Q82-Y154 HydrophobicContact CG-CE2 3.85Å
83L96Very high95.3Very high0 Ų047.8 Ų47.80%024%0.238CC..SBendtrans-958.4-170.8-61.2167000113.7A79 L80 I89 F148 L149 E152 Y154 F178A79-L83 HydrophobicContact CB-CD1 4.25Å; A79-L83 VanDerWaalsContact O-CB 3.31Å; A79-L83 WeakPolarHBondContact O-CB 3.33Å; A79-L83 WeakPolarHBondContact O-CD1 3.19Å; A79-L83 WeakPolarHBondContact O-CG 3.33Å; A79-L83 PolarHBondContact O-N 2.98Å; L80-L83 PolarHBondContact O-N 3.15Å; L83-I89 HydrophobicContact CB-CD1 4.16Å; L83-F148 HydrophobicContact CB-CE1 4.3Å; L83-F148 HydrophobicContact CD2-CE1 3.96Å; L83-L149 HydrophobicContact CD1-CD1 3.23Å; L83-L149 HydrophobicContact CD2-CD1 3.65Å; L83-L149 HydrophobicContact CG-CD1 4.05Å; L83-E152 HydrophobicContact CD2-CB 3.92Å; L83-E152 HydrophobicContact CD2-CG 4.18Å; L83-Y154 HydrophobicContact CD1-CG 4.3Å; L83-Y154 HydrophobicContact CD2-CD2 3.97Å; L83-Y154 HydrophobicContact CD2-CE2 4.47Å; L83-Y154 HydrophobicContact CD2-CG 4.42Å; L83-Y154 HydrophobicContact CG-CD2 4.42Å; L83-F178 HydrophobicContact CD1-CD1 3.88Å; L83-F178 HydrophobicContact CD1-CE1 3.76Å
84Q93.8Very high95.4Very high63 Ų6348.1 Ų48.129%0.29424%0.242SC..THydrogen-bonded Turntrans-61.8150.4178-78-47.7-78.200112.2L80 V90L80-Q84 WeakPolarHBondContact O-CG 3.23Å; L80-Q84 PolarHBondContact O-N 3.28Å; L80-Q84 PolarHBondContact O-NE2 3.24Å; Q84-V90 PolarHBondContact NE2-O 2.85Å
85G92.4Very high95.6Very high83 Ų8342.4 Ų42.486%0.85623%0.225SC*.THydrogen-bonded Turntrans100.4-14.7171.200000114.8
86H97.4Very high95.8Very high41 Ų4142.8 Ų42.819%0.1923%0.227CC..  trans-78.8132.1173.1-166-89.2000111.6N88 I89 F148H86-N88 PolarHBondContact CE1-OD1 2.81Å; H86-N88 VanDerWaalsContact CE1-OD1 3.28Å; H86-N88 PolarHBondContact ND1-N 2.83Å; H86-N88 VanDerWaalsContact ND1-N 3.19Å; H86-N88 PolarHBondContact O-N 3.5Å; H86-I89 HydrophobicContact CB-CB 4.3Å; H86-I89 HydrophobicContact CB-CD1 4.15Å; H86-I89 HydrophobicContact CB-CG1 4.21Å; H86-I89 PolarHBondContact O-N 3.22Å; H86-I89 VanDerWaalsContact O-N 3.13Å; H86-F148 HydrophobicContact CB-CD1 3.64Å; H86-F148 HydrophobicContact CB-CE1 3.77Å; H86-F148 HydrophobicContact CB-CG 4.11Å; H86-F148 HydrophobicContact CB-CZ 4.36Å; H86-F148 AromaticContact CD2-CD1 3.93Å; H86-F148 AromaticContact CD2-CG 3.53Å; H86-F148 AromaticContact CG-CD1 3.79Å; H86-F148 AromaticContact CG-CG 3.89Å
87R97.3Very high95.5Very high123 Ų12344.7 Ų44.746%0.46424%0.239SC..THydrogen-bonded Turntrans-60.5-31.7-174.470.8-174.1-71-106.8-4.5113.7D141 E144 K174R87-D141 IonicContact NH1-OD1 3.5Å; R87-D141 PolarHBondContact NH1-OD1 2.77Å; R87-E144 IonicContact NH1-OE2 2.93Å; R87-E144 PolarHBondContact NH1-OE2 3Å; R87-K174 WeakPolarHBondContact O-CD 3.28Å; R87-K174 WeakPolarHBondContact O-CE 3.21Å; R87-K174 PolarHBondContact O-NZ 2.91Å
88N98.6Very high95.1Very high1 Ų141.1 Ų41.11%0.00523%0.227CC..THydrogen-bonded Turntrans-9715.5-178.7-53.1101.5000113.9H86 D141 E144 A145 F173 K174 L175H86-N88 PolarHBondContact CE1-OD1 2.81Å; H86-N88 VanDerWaalsContact CE1-OD1 3.28Å; H86-N88 PolarHBondContact ND1-N 2.83Å; H86-N88 VanDerWaalsContact ND1-N 3.19Å; H86-N88 PolarHBondContact O-N 3.5Å; N88-D141 VanDerWaalsContact CB-O 3.24Å; N88-D141 WeakPolarHBondContact CB-O 3.5Å; N88-D141 WeakPolarHBondContact ND2-CB 3.21Å; N88-D141 PolarHBondContact ND2-OD1 2.95Å; N88-E144 PolarHBondContact OD1-OE2 3.5Å; N88-A145 HydrophobicContact CB-CB 3.7Å; N88-F173 WeakPolarHBondContact CB-O 3.48Å; N88-F173 PolarHBondContact ND2-O 3.05Å; N88-K174 CarbonylContact O-C 3.55Å; N88-K174 VanDerWaalsContact O-CA 3.23Å; N88-K174 WeakPolarHBondContact O-CA 3.27Å; N88-L175 PolarHBondContact O-N 3.21Å
89I98.4Very high94.4Very high3 Ų344.9 Ų44.92%0.01524%0.237CC..BIsolated β-bridgetrans-117.9140.8172.1-67.4-178.8000108.6L83 H86 T91 A145 F148 F178L83-I89 HydrophobicContact CB-CD1 4.16Å; H86-I89 HydrophobicContact CB-CB 4.3Å; H86-I89 HydrophobicContact CB-CD1 4.15Å; H86-I89 HydrophobicContact CB-CG1 4.21Å; H86-I89 PolarHBondContact O-N 3.22Å; H86-I89 VanDerWaalsContact O-N 3.13Å; I89-T91 PolarHBondContact O-N 3.18Å; I89-A145 HydrophobicContact CG1-CB 4.32Å; I89-F148 HydrophobicContact CD1-CD1 3.64Å; I89-F148 HydrophobicContact CD1-CE1 3.85Å; I89-F178 HydrophobicContact CD1-CZ 4.39Å; I89-F178 HydrophobicContact CG1-CZ 4.32Å; I89-F178 HydrophobicContact CG2-CE2 3.97Å; I89-F178 HydrophobicContact CG2-CZ 3.73Å
90V97.9Very high93.3Very high4 Ų448 Ų482%0.02425%0.25CC..  trans-60.3134.9178.969.30000112.5L80 Q84 L111 E112 L114 L175 I176 F178L80-V90 HydrophobicContact CD2-CG1 3.74Å; Q84-V90 PolarHBondContact NE2-O 2.85Å; V90-L111 HydrophobicContact CG2-CB 4.29Å; V90-E112 WeakPolarHBondContact CA-OE1 3.42Å; V90-E112 HydrophobicContact CG2-CG 3.71Å; V90-L114 HydrophobicContact CB-CD1 4.48Å; V90-L114 HydrophobicContact CG2-CD1 4.15Å; V90-L175 PolarHBondContact N-O 3.45Å; V90-L175 VanDerWaalsContact N-O 3.07Å; V90-I176 HydrophobicContact CB-CG2 3.89Å; V90-I176 HydrophobicContact CG1-CB 4.48Å; V90-I176 HydrophobicContact CG1-CG2 4.21Å; V90-I176 HydrophobicContact CG2-CG2 4.13Å; V90-F178 HydrophobicContact CG1-CE2 4.25Å
91T97Very high91.9Very high47 Ų4750.4 Ų50.429%0.28827%0.267SS..  trans-79.8129.1-179.7-500000110.2I89 Y93 L111 E112I89-T91 PolarHBondContact O-N 3.18Å; T91-Y93 HydrophobicContact CG2-CD1 3.91Å; T91-Y93 HydrophobicContact CG2-CE1 3.87Å; T91-L111 CarbonylContact O-C 3.54Å; T91-L111 WeakPolarHBondContact O-CA 3.4Å; T91-E112 WeakPolarHBondContact CB-OE1 3.07Å; T91-E112 PolarHBondContact N-OE1 3.09Å; T91-E112 PolarHBondContact O-N 3.15Å; T91-E112 PolarHBondContact OG1-OE1 3.36Å
92L97Very high90.4Very high22 Ų2251.4 Ų51.412%0.11528%0.282CS..EExtended strand (participates in β ladder)trans-92.5107.3171.1177.666.7000109L80 E81 G94 V95 L109 L111L80-L92 HydrophobicContact CB-CB 4.38Å; L80-L92 HydrophobicContact CB-CD2 4.07Å; E81-L92 HydrophobicContact CG-CD2 4.05Å; L92-G94 VanDerWaalsContact C-N 3.33Å; L92-G94 WeakPolarHBondContact CD1-O 3.45Å; L92-V95 HydrophobicContact CD1-CG2 4.4Å; L92-V95 HydrophobicContact CD2-CG2 4.03Å; L92-L109 HydrophobicContact CD1-CB 3.98Å; L92-L109 HydrophobicContact CD1-CD2 3.98Å; L92-L109 HydrophobicContact CD1-CG 4.46Å; L92-L111 HydrophobicContact CB-CD2 4.29Å; L92-L111 HydrophobicContact CD1-CD2 3.79Å
93Y94.6Very high89.1Confident93 Ų9353.8 Ų53.837%0.36530%0.298SS..EExtended strand (participates in β ladder)trans-71.9-30174-62.9-20000112.3T91 L110 E112T91-Y93 HydrophobicContact CG2-CD1 3.91Å; T91-Y93 HydrophobicContact CG2-CE1 3.87Å; Y93-L110 WeakPolarHBondContact CA-O 3.19Å; Y93-L110 WeakPolarHBondContact CB-O 3.44Å; Y93-L110 HydrophobicContact CD2-CD2 4.31Å; Y93-L110 HydrophobicContact CD2-CG 4.06Å; Y93-L110 HydrophobicContact CG-CG 4.5Å; Y93-L110 PolarHBondContact N-O 2.91Å; Y93-E112 HydrophobicContact CE1-CB 3.92Å; Y93-E112 HydrophobicContact CE2-CB 4.26Å; Y93-E112 VanDerWaalsContact OH-CB 3.3Å; Y93-E112 WeakPolarHBondContact OH-CB 3.45Å
94G94.3Very high87.9Confident12 Ų1255.1 Ų55.112%0.12431%0.306CS..EExtended strand (participates in β ladder)trans165.3179.5170.600000114.8L92 L110L92-G94 VanDerWaalsContact C-N 3.33Å; L92-G94 WeakPolarHBondContact CD1-O 3.45Å; G94-L110 PolarHBondContact N-O 3.15Å; G94-L110 PolarHBondContact O-N 2.82Å
95V95.4Very high87.2Confident41 Ų4155 Ų5525%0.24831%0.31CS..EExtended strand (participates in β ladder)trans-122.9135.3-175.8-173.20000109.8F73 R77 L92 C108 L109F73-V95 HydrophobicContact CE2-CG1 3.72Å; F73-V95 HydrophobicContact CZ-CG1 3.42Å; F73-V95 VanDerWaalsContact CZ-CG1 3.42Å; R77-V95 HydrophobicContact CG-CG1 4.47Å; R77-V95 HydrophobicContact CG-CG2 3.76Å; L92-V95 HydrophobicContact CD1-CG2 4.4Å; L92-V95 HydrophobicContact CD2-CG2 4.03Å; V95-C108 WeakPolarHBondContact CA-O 3.46Å; V95-L109 HydrophobicContact CB-CD2 4.42Å; V95-L109 HydrophobicContact CG1-CD2 4.15Å; V95-L109 HydrophobicContact CG2-CD2 3.77Å
96F92.9Very high86.8Confident27 Ų2751 Ų5112%0.11827%0.27CS..EExtended strand (participates in β ladder)trans-152.8177.7178.267.7-78.5000112.2L16 A18 F19 L53 I98 C108 L110L16-F96 HydrophobicContact CD1-CE2 3.85Å; L16-F96 HydrophobicContact CD1-CZ 3.75Å; L16-F96 HydrophobicContact CD2-CZ 4.4Å; A18-F96 HydrophobicContact CB-CD1 4.12Å; A18-F96 HydrophobicContact CB-CD2 4.13Å; A18-F96 HydrophobicContact CB-CE1 4.17Å; A18-F96 HydrophobicContact CB-CE2 4.17Å; A18-F96 HydrophobicContact CB-CG 4.09Å; A18-F96 HydrophobicContact CB-CZ 4.16Å; F19-F96 HydrophobicContact CE2-CD1 4.08Å; F19-F96 HydrophobicContact CZ-CB 4.31Å; F19-F96 HydrophobicContact CZ-CD1 4.15Å; L53-F96 HydrophobicContact CD1-CE1 3.67Å; L53-F96 HydrophobicContact CD1-CE2 4.39Å; L53-F96 HydrophobicContact CD1-CZ 3.34Å; F96-I98 HydrophobicContact CD2-CG1 4.11Å; F96-I98 HydrophobicContact CE2-CD1 3.94Å; F96-I98 HydrophobicContact CE2-CG1 3.57Å; F96-I98 HydrophobicContact CZ-CD1 4.5Å; F96-C108 HydrophobicContact CD1-CB 3.92Å; F96-C108 HydrophobicContact CD2-CB 4.12Å; F96-C108 HydrophobicContact CE1-CB 3.67Å; F96-C108 HydrophobicContact CE2-CB 3.91Å; F96-C108 HydrophobicContact CG-CB 4.14Å; F96-C108 HydrophobicContact CZ-CB 3.69Å; F96-C108 PolarHBondContact N-O 2.88Å; F96-C108 PolarHBondContact O-N 3.39Å; F96-L110 HydrophobicContact CE1-CB 4.09Å
97T89.6Confident86.5Confident45 Ų4552.8 Ų52.828%0.27628%0.275SS..EExtended strand (participates in β ladder)trans-128.1129.2178.8-61.60000110.3P105 S106 R107T97-P105 HydrophobicContact CG2-CB 3.43Å; T97-P105 VanDerWaalsContact CG2-CB 3.43Å; T97-S106 CarbonylContact C-O 3.54Å; T97-S106 VanDerWaalsContact CA-O 3.32Å; T97-S106 WeakPolarHBondContact CA-O 3.41Å; T97-R107 VanDerWaalsContact CG2-NH1 3.32Å; T97-R107 WeakPolarHBondContact OG1-CD 3.36Å; T97-R107 PolarHBondContact OG1-NH1 2.78Å
98I85.9Confident86.3Confident14 Ų1447 Ų477%0.07225%0.253CS..EExtended strand (participates in β ladder)trans-93.8131.4171.4-59.6175.2000108.2P12 P13 L16 L53 F96 F100 P105 S106 C108P12-I98 HydrophobicContact CB-CD1 4.23Å; P13-I98 HydrophobicContact CG-CG2 4.26Å; L16-I98 HydrophobicContact CD2-CD1 4.08Å; L53-I98 HydrophobicContact CD2-CD1 4.28Å; F96-I98 HydrophobicContact CD2-CG1 4.11Å; F96-I98 HydrophobicContact CE2-CD1 3.94Å; F96-I98 HydrophobicContact CE2-CG1 3.57Å; F96-I98 HydrophobicContact CZ-CD1 4.5Å; I98-F100 HydrophobicContact CB-CE2 4.22Å; I98-F100 HydrophobicContact CG2-CD2 4.05Å; I98-F100 HydrophobicContact CG2-CE2 3.7Å; I98-F100 HydrophobicContact CG2-CZ 4.04Å; I98-P105 CarbonylContact O-C 3.58Å; I98-P105 WeakPolarHBondContact O-CA 3.41Å; I98-S106 PolarHBondContact N-O 3.43Å; I98-S106 PolarHBondContact O-N 3.27Å; I98-C108 VanDerWaalsContact CD1-SG 3.53Å
99H80.1Confident86.1Confident123 Ų12346.9 Ų46.957%0.56925%0.253SS*.EExtended strand (participates in β ladder)trans-107.6112.1175.4-64.282.4000109.2
100F72.3Confident86Confident66 Ų6646.9 Ų46.929%0.28925%0.253SS..EExtended strand (participates in β ladder)trans-82.1-26176.5-69.1-95.8000112A10 E11 Q55 P59 I98 V104 S106A10-F100 HydrophobicContact CB-CD1 4.19Å; A10-F100 HydrophobicContact CB-CE1 4.11Å; E11-F100 WeakPolarHBondContact O-CE1 3.5Å; Q55-F100 VanDerWaalsContact NE2-CE2 3.32Å; Q55-F100 VanDerWaalsContact NE2-CZ 3.27Å; P59-F100 HydrophobicContact CB-CB 4.14Å; P59-F100 HydrophobicContact CB-CD2 4.22Å; P59-F100 HydrophobicContact CB-CG 4.17Å; P59-F100 HydrophobicContact CG-CB 3.84Å; P59-F100 HydrophobicContact CG-CD1 3.83Å; P59-F100 HydrophobicContact CG-CD2 3.2Å; P59-F100 HydrophobicContact CG-CE1 4.13Å; P59-F100 HydrophobicContact CG-CE2 3.54Å; P59-F100 HydrophobicContact CG-CG 3.33Å; P59-F100 HydrophobicContact CG-CZ 3.98Å; I98-F100 HydrophobicContact CB-CE2 4.22Å; I98-F100 HydrophobicContact CG2-CD2 4.05Å; I98-F100 HydrophobicContact CG2-CE2 3.7Å; I98-F100 HydrophobicContact CG2-CZ 4.04Å; F100-V104 PolarHBondContact N-O 3.39Å; F100-S106 WeakPolarHBondContact CE2-OG 3.37Å
101S66.9Low86Confident52 Ų5247.5 Ų47.536%0.36426%0.255SS..EExtended strand (participates in β ladder)trans-153167.6167.4680000107.8N103 V104S101-N103 PolarHBondContact O-N 3.05Å; S101-V104 PolarHBondContact O-N 2.6Å; S101-V104 WeakPolarHBondContact OG-CB 3.34Å; S101-V104 WeakPolarHBondContact OG-CG2 3.26Å
102P66Low85.9Confident121 Ų12145.9 Ų45.979%0.78625%0.245SC*.THydrogen-bonded Turntrans-52-28-174.9-29.135.7000115.1
103N66.4Low85.8Confident149 Ų14946.3 Ų46.380%0.79725%0.247SC*.THydrogen-bonded Turntrans-110.110.8-175.1-65.4-26.7000113.9S101S101-N103 PolarHBondContact O-N 3.05Å
104V71.6Confident85.9Confident28 Ų2842.8 Ų42.817%0.1723%0.234CC..EExtended strand (participates in β ladder)trans-132.381-171.5-170.20000111.5P59 F100 S101P59-V104 VanDerWaalsContact C-CG1 3.42Å; P59-V104 HydrophobicContact CB-CB 4.41Å; P59-V104 HydrophobicContact CB-CG1 3.26Å; P59-V104 HydrophobicContact CG-CG1 4.27Å; F100-V104 PolarHBondContact N-O 3.39Å; S101-V104 PolarHBondContact O-N 2.6Å; S101-V104 WeakPolarHBondContact OG-CB 3.34Å; S101-V104 WeakPolarHBondContact OG-CG2 3.26Å
105P79.4Confident86Confident59 Ų5943.9 Ų43.938%0.38324%0.237SC..EExtended strand (participates in β ladder)trans-82.2141.617632.5-32.8000111.8T97 I98T97-P105 HydrophobicContact CG2-CB 3.43Å; T97-P105 VanDerWaalsContact CG2-CB 3.43Å; I98-P105 CarbonylContact O-C 3.58Å; I98-P105 WeakPolarHBondContact O-CA 3.41Å
106S83.9Confident86Confident1 Ų142.4 Ų42.41%0.00723%0.228CC..EExtended strand (participates in β ladder)trans-115.2129.3162.7-71.60000109.3Q55 L57 T97 I98 F100Q55-S106 PolarHBondContact NE2-OG 3.26Å; L57-S106 PolarHBondContact O-OG 2.79Å; T97-S106 CarbonylContact C-O 3.54Å; T97-S106 VanDerWaalsContact CA-O 3.32Å; T97-S106 WeakPolarHBondContact CA-O 3.41Å; I98-S106 PolarHBondContact N-O 3.43Å; I98-S106 PolarHBondContact O-N 3.27Å; F100-S106 WeakPolarHBondContact CE2-OG 3.37Å
107R90Very high86.2Confident78 Ų7841.2 Ų41.229%0.29422%0.224SC..EExtended strand (participates in β ladder)trans-79.9139176.9-63-64.3-174.7-122.2-7.5110F56 E70 F73 T97F56-R107 HydrophobicContact CB-CB 4.34Å; F56-R107 PolarHBondContact N-O 3.08Å; F56-R107 PolarHBondContact O-N 3.26Å; E70-R107 IonicContact OE2-NE 3.14Å; F73-R107 HydrophobicContact CB-CB 4.41Å; F73-R107 HydrophobicContact CD1-CB 3.78Å; F73-R107 HydrophobicContact CD1-CG 3.68Å; F73-R107 HydrophobicContact CD2-CB 3.62Å; F73-R107 HydrophobicContact CD2-CG 4.44Å; F73-R107 HydrophobicContact CE1-CB 3.86Å; F73-R107 HydrophobicContact CE1-CG 3.71Å; F73-R107 HydrophobicContact CE2-CB 3.68Å; F73-R107 HydrophobicContact CE2-CG 4.45Å; F73-R107 HydrophobicContact CG-CB 3.65Å; F73-R107 HydrophobicContact CG-CG 4.05Å; F73-R107 HydrophobicContact CZ-CB 3.79Å; F73-R107 HydrophobicContact CZ-CG 4.09Å; T97-R107 VanDerWaalsContact CG2-NH1 3.32Å; T97-R107 WeakPolarHBondContact OG1-CD 3.36Å; T97-R107 PolarHBondContact OG1-NH1 2.78Å
108C93.2Very high86.6Confident0 Ų039.1 Ų39.10%021%0.211CC..EExtended strand (participates in β ladder)trans-133139-174-68.50000111.5L53 K54 V95 F96 I98L53-C108 HydrophobicContact CD1-CB 3.66Å; K54-C108 CarbonylContact O-C 3.57Å; K54-C108 VanDerWaalsContact O-CA 3.31Å; K54-C108 WeakPolarHBondContact O-CA 3.31Å; V95-C108 WeakPolarHBondContact CA-O 3.46Å; F96-C108 HydrophobicContact CD1-CB 3.92Å; F96-C108 HydrophobicContact CD2-CB 4.12Å; F96-C108 HydrophobicContact CE1-CB 3.67Å; F96-C108 HydrophobicContact CE2-CB 3.91Å; F96-C108 HydrophobicContact CG-CB 4.14Å; F96-C108 HydrophobicContact CZ-CB 3.69Å; F96-C108 PolarHBondContact N-O 2.88Å; F96-C108 PolarHBondContact O-N 3.39Å; I98-C108 VanDerWaalsContact CD1-SG 3.53Å
109L95.8Very high87Confident0 Ų039.3 Ų39.30%021%0.213CC..EExtended strand (participates in β ladder)trans-107.2131163.5-55.9175.9000108.2L53 K54 F56 F73 E76 R77 L80 L92 V95 L111L53-L109 WeakPolarHBondContact CA-O 3.44Å; K54-L109 HydrophobicContact CB-CB 4.32Å; K54-L109 PolarHBondContact N-O 3.16Å; K54-L109 PolarHBondContact O-N 2.9Å; F56-L109 HydrophobicContact CE2-CB 4.45Å; F56-L109 HydrophobicContact CE2-CD1 3.59Å; F56-L109 HydrophobicContact CE2-CG 3.67Å; F56-L109 HydrophobicContact CZ-CD1 3.77Å; F56-L109 HydrophobicContact CZ-CG 4.35Å; F73-L109 HydrophobicContact CD2-CD2 4.2Å; F73-L109 HydrophobicContact CD2-CG 4.37Å; F73-L109 HydrophobicContact CE2-CD2 3.68Å; F73-L109 HydrophobicContact CE2-CG 4.23Å; E76-L109 HydrophobicContact CG-CD1 4.11Å; R77-L109 HydrophobicContact CB-CD2 4.28Å; R77-L109 HydrophobicContact CG-CD2 4.26Å; L80-L109 HydrophobicContact CD1-CD1 4.09Å; L92-L109 HydrophobicContact CD1-CB 3.98Å; L92-L109 HydrophobicContact CD1-CD2 3.98Å; L92-L109 HydrophobicContact CD1-CG 4.46Å; V95-L109 HydrophobicContact CB-CD2 4.42Å; V95-L109 HydrophobicContact CG1-CD2 4.15Å; V95-L109 HydrophobicContact CG2-CD2 3.77Å; L109-L111 HydrophobicContact CB-CD2 4.46Å; L109-L111 HydrophobicContact CB-CG 4.32Å
110L96.3Very high87.8Confident3 Ų337.2 Ų37.22%0.01620%0.204CC..EExtended strand (participates in β ladder)trans-98.3115.2167.3-174.764.7000107.9F19 W23 V40 Y93 G94 F96F19-L110 HydrophobicContact CD2-CD2 4.09Å; F19-L110 HydrophobicContact CE2-CB 4.3Å; F19-L110 HydrophobicContact CE2-CD2 3.94Å; W23-L110 HydrophobicContact CH2-CD2 3.93Å; W23-L110 HydrophobicContact CZ2-CD2 3.56Å; W23-L110 HydrophobicContact CZ3-CD1 4.47Å; V40-L110 HydrophobicContact CG2-CD1 3.57Å; Y93-L110 WeakPolarHBondContact CA-O 3.19Å; Y93-L110 WeakPolarHBondContact CB-O 3.44Å; Y93-L110 HydrophobicContact CD2-CD2 4.31Å; Y93-L110 HydrophobicContact CD2-CG 4.06Å; Y93-L110 HydrophobicContact CG-CG 4.5Å; Y93-L110 PolarHBondContact N-O 2.91Å; G94-L110 PolarHBondContact N-O 3.15Å; G94-L110 PolarHBondContact O-N 2.82Å; F96-L110 HydrophobicContact CE1-CB 4.09Å
111L96.9Very high88.8Confident16 Ų1634.1 Ų34.18%0.08419%0.19CC..EExtended strand (participates in β ladder)trans-113.9161.7-176.4-58.8165.3000109.8G51 A52 K54 L80 V90 T91 L92 L109G51-L111 CarbonylContact C-O 3.6Å; G51-L111 VanDerWaalsContact CA-O 3.29Å; G51-L111 WeakPolarHBondContact CA-O 3.45Å; A52-L111 HydrophobicContact CB-CB 4.32Å; A52-L111 PolarHBondContact N-O 3.24Å; A52-L111 PolarHBondContact O-N 3.43Å; K54-L111 HydrophobicContact CB-CD1 4.26Å; L80-L111 HydrophobicContact CD1-CD2 3.87Å; V90-L111 HydrophobicContact CG2-CB 4.29Å; T91-L111 CarbonylContact O-C 3.54Å; T91-L111 WeakPolarHBondContact O-CA 3.4Å; L92-L111 HydrophobicContact CB-CD2 4.29Å; L92-L111 HydrophobicContact CD1-CD2 3.79Å; L109-L111 HydrophobicContact CB-CD2 4.46Å; L109-L111 HydrophobicContact CB-CG 4.32Å
112E95.6Very high90.1Very high14 Ų1432.4 Ų32.47%0.06518%0.177CC..EExtended strand (participates in β ladder)trans-58.2143.9163.469.2-179.6132.100110.6V90 T91 Y93 L114 K174V90-E112 WeakPolarHBondContact CA-OE1 3.42Å; V90-E112 HydrophobicContact CG2-CG 3.71Å; T91-E112 WeakPolarHBondContact CB-OE1 3.07Å; T91-E112 PolarHBondContact N-OE1 3.09Å; T91-E112 PolarHBondContact O-N 3.15Å; T91-E112 PolarHBondContact OG1-OE1 3.36Å; Y93-E112 HydrophobicContact CE1-CB 3.92Å; Y93-E112 HydrophobicContact CE2-CB 4.26Å; Y93-E112 VanDerWaalsContact OH-CB 3.3Å; Y93-E112 WeakPolarHBondContact OH-CB 3.45Å; E112-L114 HydrophobicContact CG-CD2 4Å; E112-L114 HydrophobicContact CG-CG 4.27Å; E112-K174 VanDerWaalsContact CD-NZ 3.26Å; E112-K174 WeakPolarHBondContact OE1-CD 3.46Å; E112-K174 IonicContact OE1-NZ 3.98Å; E112-K174 PolarHBondContact OE1-NZ 3.23Å; E112-K174 IonicContact OE2-NZ 3.89Å; E112-K174 PolarHBondContact OE2-NZ 3.4Å
113L95.4Very high91.3Very high30 Ų3033 Ų3316%0.15717%0.172CC..PPolyproline II helixtrans-81.6123.4172-175.467.6000109.2L29 R39 P50 A52L29-L113 HydrophobicContact CD1-CD1 3.52Å; R39-L113 HydrophobicContact CG-CD2 4.04Å; P50-L113 HydrophobicContact CB-CB 4.37Å; P50-L113 HydrophobicContact CB-CD2 3.76Å; P50-L113 HydrophobicContact CG-CB 4.21Å; P50-L113 HydrophobicContact CG-CD2 3.67Å; A52-L113 HydrophobicContact CB-CD1 4.13Å
114L96.5Very high92.3Very high19 Ų1933.2 Ų33.210%0.09916%0.163CC..PPolyproline II helixtrans-103.3167.3172-59.4177.7000111V90 E112 L165 K174 I176V90-L114 HydrophobicContact CB-CD1 4.48Å; V90-L114 HydrophobicContact CG2-CD1 4.15Å; E112-L114 HydrophobicContact CG-CD2 4Å; E112-L114 HydrophobicContact CG-CG 4.27Å; L114-L165 HydrophobicContact CB-CB 3.75Å; L114-L165 HydrophobicContact CB-CD2 3.76Å; L114-L165 HydrophobicContact CB-CG 4.41Å; L114-L165 HydrophobicContact CD1-CB 3.75Å; L114-L165 HydrophobicContact CD1-CD2 4.46Å; L114-L165 HydrophobicContact CG-CB 4.4Å; L114-K174 HydrophobicContact CD1-CB 4.03Å; L114-K174 HydrophobicContact CD2-CD 4.06Å; L114-K174 HydrophobicContact CD2-CG 4.43Å; L114-I176 HydrophobicContact CD1-CG2 3.55Å
115D95.4Very high92.8Very high35 Ų3532.6 Ų32.619%0.18716%0.16CC..  trans-102.1-124.3-174.9-73-81.1000111.7W166 A168 P319 K383D115-W166 PolarHBondContact N-O 2.81Å; D115-A168 WeakPolarHBondContact OD2-CB 3.29Å; D115-P319 HydrophobicContact CB-CG 4.38Å; D115-K383 IonicContact OD1-NZ 2.66Å
116V95.3Very high92.7Very high10 Ų1033.8 Ų33.86%0.06117%0.17CC..  trans-73.6130.5-166.5-173.70000109.7E120 L121 W166 P319V116-E120 HydrophobicContact CG1-CB 3.69Å; V116-L121 HydrophobicContact CG1-CD2 3.68Å; V116-L121 HydrophobicContact CG1-CG 3.91Å; V116-W166 WeakPolarHBondContact O-CB 3.47Å; V116-W166 PolarHBondContact O-N 2.93Å; V116-P319 HydrophobicContact CG2-CG 4.18Å
117S97.3Very high92.4Very high3 Ų340.9 Ų40.92%0.02120%0.203CC..BIsolated β-bridgetrans-80.8154.7172.764.60000112.1S119 E120 L121 I164S117-S119 PolarHBondContact O-N 2.93Å; S117-S119 VanDerWaalsContact O-N 3.16Å; S117-E120 WeakPolarHBondContact CB-OE2 3.3Å; S117-E120 PolarHBondContact N-OE2 2.94Å; S117-E120 WeakPolarHBondContact O-CB 3.36Å; S117-E120 PolarHBondContact O-N 3.45Å; S117-E120 WeakPolarHBondContact OG-CG 3.3Å; S117-E120 PolarHBondContact OG-N 3.25Å; S117-E120 PolarHBondContact OG-OE2 3.24Å; S117-L121 PolarHBondContact O-N 2.93Å; S117-I164 CarbonylContact C-O 3.58Å; S117-I164 WeakPolarHBondContact CA-O 3.02Å
118V97.9Very high92.2Very high0 Ų044 Ų440%022%0.221CC..Hα-helixtrans-57.8-30.1170.7176.80000110.9E120 L121 L122 P161 I164 F173 I231 M235V118-E120 VanDerWaalsContact C-N 3.31Å; V118-E120 PolarHBondContact O-N 2.93Å; V118-L121 PolarHBondContact O-N 2.78Å; V118-L122 HydrophobicContact CG1-CD1 4.32Å; V118-L122 HydrophobicContact CG1-CG 4.44Å; V118-L122 WeakPolarHBondContact O-CB 3.18Å; V118-L122 VanDerWaalsContact O-CG 3.31Å; V118-L122 WeakPolarHBondContact O-CG 3.49Å; V118-L122 PolarHBondContact O-N 3.44Å; V118-P161 HydrophobicContact CB-CB 4.12Å; V118-P161 WeakPolarHBondContact CB-O 3.44Å; V118-P161 HydrophobicContact CG1-CB 4.02Å; V118-P161 PolarHBondContact N-O 3.33Å; V118-I164 HydrophobicContact CB-CB 4.35Å; V118-I164 HydrophobicContact CG2-CB 3.72Å; V118-I164 HydrophobicContact CG2-CG2 3.59Å; V118-I164 PolarHBondContact N-O 3.45Å; V118-F173 HydrophobicContact CG2-CD1 4.1Å; V118-F173 HydrophobicContact CG2-CE1 3.93Å; V118-I231 HydrophobicContact CG1-CG2 4.23Å; V118-M235 HydrophobicContact CG1-CE 4.25Å; V118-M235 HydrophobicContact CG1-CG 3.85Å; V118-M235 HydrophobicContact CG1-SD 3.65Å
119S95.9Very high92.1Very high18 Ų1844.6 Ų44.613%0.12623%0.227CC..Hα-helixtrans-61.3-37.3172.4-1710000113.1S117 L123 P161S117-S119 PolarHBondContact O-N 2.93Å; S117-S119 VanDerWaalsContact O-N 3.16Å; S119-L123 WeakPolarHBondContact O-CG 3.31Å; S119-L123 PolarHBondContact O-N 3.39Å; S119-P161 PolarHBondContact N-O 3.04Å
120E94.9Very high92Very high80 Ų8045.4 Ų45.437%0.37423%0.232SC..Hα-helixtrans-74.6-41.6176.6-74.2160.9100.500111V116 S117 V118 L122 L123 Y124V116-E120 HydrophobicContact CG1-CB 3.69Å; S117-E120 WeakPolarHBondContact CB-OE2 3.3Å; S117-E120 PolarHBondContact N-OE2 2.94Å; S117-E120 WeakPolarHBondContact O-CB 3.36Å; S117-E120 PolarHBondContact O-N 3.45Å; S117-E120 WeakPolarHBondContact OG-CG 3.3Å; S117-E120 PolarHBondContact OG-N 3.25Å; S117-E120 PolarHBondContact OG-OE2 3.24Å; V118-E120 VanDerWaalsContact C-N 3.31Å; V118-E120 PolarHBondContact O-N 2.93Å; E120-L122 VanDerWaalsContact C-N 3.28Å; E120-L122 PolarHBondContact O-N 2.95Å; E120-L123 WeakPolarHBondContact O-CA 3.32Å; E120-L123 WeakPolarHBondContact O-CB 3.49Å; E120-L123 PolarHBondContact O-N 2.83Å; E120-Y124 HydrophobicContact CB-CE2 4.37Å; E120-Y124 WeakPolarHBondContact O-CD2 3.5Å; E120-Y124 PolarHBondContact O-N 2.84Å
121L94.7Very high91.9Very high1 Ų146.9 Ų46.91%0.00524%0.243CC..Hα-helixtrans-56.4-43.6174.8-62.7177.8000111.8V116 S117 V118 L123 Y124 S125 M134 F173 M317 L318V116-L121 HydrophobicContact CG1-CD2 3.68Å; V116-L121 HydrophobicContact CG1-CG 3.91Å; S117-L121 PolarHBondContact O-N 2.93Å; V118-L121 PolarHBondContact O-N 2.78Å; L121-L123 VanDerWaalsContact C-N 3.28Å; L121-L123 PolarHBondContact O-N 3Å; L121-Y124 PolarHBondContact O-N 3.18Å; L121-S125 PolarHBondContact O-N 2.82Å; L121-M134 HydrophobicContact CD1-CG 4.46Å; L121-M134 HydrophobicContact CD1-SD 3.76Å; L121-F173 HydrophobicContact CD1-CE1 3.86Å; L121-F173 HydrophobicContact CD1-CZ 3.86Å; L121-M317 HydrophobicContact CD2-CB 3.81Å; L121-M317 HydrophobicContact CD2-CG 4.47Å; L121-M317 HydrophobicContact CD2-SD 4.18Å; L121-L318 HydrophobicContact CD1-CD2 4.13Å; L121-L318 HydrophobicContact CD2-CD2 4.12Å
122L93.4Very high91.8Very high16 Ų1647 Ų478%0.08424%0.243CC..Hα-helixtrans-61.1-35175.2-75.2171.6000112.8V118 E120 S125 P161 E234 M235V118-L122 HydrophobicContact CG1-CD1 4.32Å; V118-L122 HydrophobicContact CG1-CG 4.44Å; V118-L122 WeakPolarHBondContact O-CB 3.18Å; V118-L122 VanDerWaalsContact O-CG 3.31Å; V118-L122 WeakPolarHBondContact O-CG 3.49Å; V118-L122 PolarHBondContact O-N 3.44Å; E120-L122 VanDerWaalsContact C-N 3.28Å; E120-L122 PolarHBondContact O-N 2.95Å; L122-S125 PolarHBondContact O-OG 3.33Å; L122-P161 HydrophobicContact CD1-CB 3.95Å; L122-P161 HydrophobicContact CD1-CG 3.89Å; L122-E234 HydrophobicContact CD1-CB 4.23Å; L122-E234 HydrophobicContact CD2-CB 4.4Å; L122-E234 WeakPolarHBondContact CD2-O 3.47Å; L122-M235 HydrophobicContact CD2-CB 4.43Å; L122-M235 HydrophobicContact CD2-CG 4.13Å
123L92.1Very high91.7Very high132 Ų13248.2 Ų48.269%0.69125%0.247SC*.Hα-helixtrans-69.9-40.5176.2-70170000111.7S119 E120 L121 S125S119-L123 WeakPolarHBondContact O-CG 3.31Å; S119-L123 PolarHBondContact O-N 3.39Å; E120-L123 WeakPolarHBondContact O-CA 3.32Å; E120-L123 WeakPolarHBondContact O-CB 3.49Å; E120-L123 PolarHBondContact O-N 2.83Å; L121-L123 VanDerWaalsContact C-N 3.28Å; L121-L123 PolarHBondContact O-N 3Å; L123-S125 VanDerWaalsContact C-N 3.33Å
124Y86.7Confident91.7Very high155 Ų15546.9 Ų46.961%0.60824%0.24SC*.Hα-helixtrans-67.8-32.9177.5-73.4-63.8000113E120 L121 S126E120-Y124 HydrophobicContact CB-CE2 4.37Å; E120-Y124 WeakPolarHBondContact O-CD2 3.5Å; E120-Y124 PolarHBondContact O-N 2.84Å; L121-Y124 PolarHBondContact O-N 3.18Å; Y124-S126 PolarHBondContact O-N 2.82Å; Y124-S126 PolarHBondContact O-OG 3.41Å; Y124-S126 VanDerWaalsContact O-OG 3.11Å
125S81.3Confident91.8Very high14 Ų1446 Ų4610%0.09824%0.235CC..THydrogen-bonded Turntrans-63.5-1.3-179.474.30000115.3L121 L122 L123 H127 Q128 G129L121-S125 PolarHBondContact O-N 2.82Å; L122-S125 PolarHBondContact O-OG 3.33Å; L123-S125 VanDerWaalsContact C-N 3.33Å; S125-H127 PolarHBondContact O-N 3.13Å; S125-Q128 WeakPolarHBondContact O-CB 3.41Å; S125-Q128 PolarHBondContact O-N 2.59Å; S125-G129 WeakPolarHBondContact CB-O 3.21Å
126S77.3Confident91.9Very high85 Ų8545.2 Ų45.259%0.59423%0.231SC*.THydrogen-bonded Turntrans48.640170.2-59.10000114.3Y124 Q128Y124-S126 PolarHBondContact O-N 2.82Å; Y124-S126 PolarHBondContact O-OG 3.41Å; Y124-S126 VanDerWaalsContact O-OG 3.11Å; S126-Q128 PolarHBondContact O-N 3Å
127H79Confident92Very high149 Ų14947 Ų4769%0.6924%0.238SC*.THydrogen-bonded Turntrans66.67.1-175.8-51.8-67.1000116.4S125 G238S125-H127 PolarHBondContact O-N 3.13Å; H127-G238 WeakPolarHBondContact CA-O 3.24Å; H127-G238 PolarHBondContact ND1-O 3.11Å
128Q85.2Confident92Very high145 Ų14546.9 Ų46.968%0.67824%0.237SC*.SBendtrans-88.3-11.4176.1-58.6-55.2-35.900113.3S125 S126 K265S125-Q128 WeakPolarHBondContact O-CB 3.41Å; S125-Q128 PolarHBondContact O-N 2.59Å; S126-Q128 PolarHBondContact O-N 3Å; Q128-K265 PolarHBondContact O-NZ 3.23Å
129G91.1Very high92.1Very high12 Ų1246.9 Ų46.912%0.12424%0.237CC..  trans78.2173.2-174.600000112.2S125 M235S125-G129 WeakPolarHBondContact CB-O 3.21Å; G129-M235 CarbonylContact C-O 3.59Å; G129-M235 WeakPolarHBondContact CA-O 3.38Å
130C93.9Very high92.2Very high16 Ų1649.4 Ų49.411%0.10824%0.244CC..  trans-87.5159.8-179.4-60.90000111.2M134 I135 M235C130-M134 HydrophobicContact CB-CB 4.05Å; C130-M134 HydrophobicContact CB-CG 3.96Å; C130-I135 HydrophobicContact CB-CD1 4.4Å; C130-I135 HydrophobicContact CB-CG1 3.95Å; C130-I135 WeakPolarHBondContact O-CD1 3.37Å; C130-M235 HydrophobicContact CB-CB 4.47Å; C130-M235 HydrophobicContact CB-CE 4.29Å; C130-M235 PolarHBondContact N-O 3.34Å
131S93.8Very high92.4Very high35 Ų3545.8 Ų45.825%0.24523%0.227CC..  trans-62.9157172.278.60000111.5W133 M134 I135 D314S131-W133 PolarHBondContact O-N 3.05Å; S131-W133 PolarHBondContact OG-N 3.41Å; S131-M134 PolarHBondContact O-N 2.85Å; S131-M134 PolarHBondContact OG-N 2.85Å; S131-M134 VanDerWaalsContact OG-N 3.12Å; S131-I135 WeakPolarHBondContact O-CG1 3.48Å; S131-I135 PolarHBondContact O-N 2.77Å; S131-D314 WeakPolarHBondContact CB-OD2 3.16Å; S131-D314 PolarHBondContact OG-OD1 2.78Å; S131-D314 PolarHBondContact OG-OD2 3.31Å
132M94.6Very high92.6Very high18 Ų1845.8 Ų45.89%0.08923%0.227CC..Hα-helixtrans-60.5-32.6174.7-73.4-67.9-178.900112.4Q136 F236 N269 P273 A274 L277 F303 F308M132-Q136 VanDerWaalsContact O-CB 3.25Å; M132-Q136 WeakPolarHBondContact O-CB 3.4Å; M132-Q136 PolarHBondContact O-N 2.87Å; M132-F236 HydrophobicContact CE-CD2 4.05Å; M132-F236 HydrophobicContact CE-CE2 3.68Å; M132-N269 HydrophobicContact CE-CB 3.99Å; M132-N269 WeakPolarHBondContact CE-OD1 3.28Å; M132-P273 HydrophobicContact CE-CB 4.35Å; M132-P273 HydrophobicContact CG-CB 4.45Å; M132-P273 HydrophobicContact SD-CB 4.38Å; M132-A274 HydrophobicContact CE-CB 4.08Å; M132-L277 HydrophobicContact CE-CD2 4.37Å; M132-L277 HydrophobicContact SD-CD2 4.01Å; M132-F303 HydrophobicContact SD-CE2 4.09Å; M132-F303 HydrophobicContact SD-CZ 4.41Å; M132-F308 HydrophobicContact CB-CD1 3.84Å; M132-F308 HydrophobicContact CB-CD2 4.2Å; M132-F308 HydrophobicContact CB-CE1 3.62Å; M132-F308 HydrophobicContact CB-CE2 3.98Å; M132-F308 HydrophobicContact CB-CG 4.15Å; M132-F308 HydrophobicContact CB-CZ 3.71Å; M132-F308 HydrophobicContact CG-CE1 4.25Å; M132-F308 HydrophobicContact CG-CZ 4.31Å
133W94.5Very high92.9Very high40 Ų4045 Ų4515%0.15222%0.223CC..Hα-helixtrans-61.5-51.8174.4-177.682.9000110.9S131 I135 Q136 H137 F308 P310 D314 L318S131-W133 PolarHBondContact O-N 3.05Å; S131-W133 PolarHBondContact OG-N 3.41Å; W133-I135 PolarHBondContact O-N 2.86Å; W133-Q136 PolarHBondContact O-N 2.91Å; W133-H137 WeakPolarHBondContact O-CB 3.49Å; W133-H137 PolarHBondContact O-N 2.86Å; W133-F308 HydrophobicContact CB-CB 3.71Å; W133-F308 VanDerWaalsContact CD1-O 3.26Å; W133-F308 HydrophobicContact CG-CB 4.18Å; W133-P310 HydrophobicContact CD2-CB 3.72Å; W133-P310 HydrophobicContact CE3-CB 3.91Å; W133-P310 HydrophobicContact CG-CB 4.27Å; W133-P310 HydrophobicContact CH2-CB 4.22Å; W133-P310 HydrophobicContact CZ2-CB 4.03Å; W133-P310 HydrophobicContact CZ2-CG 4.45Å; W133-P310 HydrophobicContact CZ3-CB 4.16Å; W133-D314 HydrophobicContact CE3-CB 3.87Å; W133-D314 HydrophobicContact CZ3-CB 3.95Å; W133-L318 HydrophobicContact CH2-CD1 3.84Å; W133-L318 HydrophobicContact CZ3-CD1 3.59Å
134M95.6Very high93.2Very high1 Ų141.3 Ų41.31%0.00520%0.202CC..Hα-helixtrans-60.1-44.4179-17573.765.300112.1L121 C130 S131 C138 F173 M235 D314 M317 L318L121-M134 HydrophobicContact CD1-CG 4.46Å; L121-M134 HydrophobicContact CD1-SD 3.76Å; C130-M134 HydrophobicContact CB-CB 4.05Å; C130-M134 HydrophobicContact CB-CG 3.96Å; S131-M134 PolarHBondContact O-N 2.85Å; S131-M134 PolarHBondContact OG-N 2.85Å; S131-M134 VanDerWaalsContact OG-N 3.12Å; M134-C138 VanDerWaalsContact O-CB 3.27Å; M134-C138 WeakPolarHBondContact O-CB 3.42Å; M134-C138 PolarHBondContact O-N 2.76Å; M134-F173 HydrophobicContact SD-CE2 4.27Å; M134-F173 HydrophobicContact SD-CZ 3.78Å; M134-M235 HydrophobicContact CG-CE 4.01Å; M134-D314 HydrophobicContact CE-CB 3.88Å; M134-D314 VanDerWaalsContact CE-OD1 3.28Å; M134-D314 WeakPolarHBondContact CE-OD1 3.43Å; M134-M317 HydrophobicContact CE-CE 4.33Å; M134-L318 HydrophobicContact CE-CD1 3.77Å; M134-L318 HydrophobicContact CE-CD2 4.12Å; M134-L318 HydrophobicContact CE-CG 3.74Å; M134-L318 HydrophobicContact SD-CD1 3.76Å; M134-L318 HydrophobicContact SD-CD2 4.03Å; M134-L318 HydrophobicContact SD-CG 4.1Å
135I97.8Very high93.8Very high1 Ų133.9 Ų33.91%0.00517%0.173CC..Hα-helixtrans-63.7-46.3178.7-64.4166000110.5C130 S131 W133 A139 L232 M235 F236 L277 F303C130-I135 HydrophobicContact CB-CD1 4.4Å; C130-I135 HydrophobicContact CB-CG1 3.95Å; C130-I135 WeakPolarHBondContact O-CD1 3.37Å; S131-I135 WeakPolarHBondContact O-CG1 3.48Å; S131-I135 PolarHBondContact O-N 2.77Å; W133-I135 PolarHBondContact O-N 2.86Å; I135-A139 WeakPolarHBondContact O-CB 3.47Å; I135-A139 PolarHBondContact O-N 2.88Å; I135-L232 HydrophobicContact CG2-CD2 4.28Å; I135-M235 HydrophobicContact CG1-CB 3.95Å; I135-M235 HydrophobicContact CG1-CE 4.35Å; I135-F236 HydrophobicContact CD1-CB 4.07Å; I135-F236 HydrophobicContact CD1-CD2 4.33Å; I135-L277 HydrophobicContact CD1-CD2 4.25Å; I135-L277 HydrophobicContact CG2-CD1 3.81Å; I135-L277 HydrophobicContact CG2-CD2 3.84Å; I135-F303 HydrophobicContact CG2-CE1 4.4Å; I135-F303 HydrophobicContact CG2-CZ 4.27Å
136Q98Very high94.6Very high19 Ų1933.2 Ų33.29%0.08917%0.169CC..Hα-helixtrans-64.7-43179.5-167.8-165.78100111.9M132 W133 A139 R140 F303 F304 I306 F308M132-Q136 VanDerWaalsContact O-CB 3.25Å; M132-Q136 WeakPolarHBondContact O-CB 3.4Å; M132-Q136 PolarHBondContact O-N 2.87Å; W133-Q136 PolarHBondContact O-N 2.91Å; Q136-A139 PolarHBondContact O-N 2.96Å; Q136-R140 WeakPolarHBondContact O-CB 3.49Å; Q136-R140 PolarHBondContact O-N 3.39Å; Q136-F303 HydrophobicContact CB-CD1 4.46Å; Q136-F303 HydrophobicContact CB-CE1 3.61Å; Q136-F303 HydrophobicContact CB-CZ 3.66Å; Q136-F303 HydrophobicContact CG-CD1 4.12Å; Q136-F303 HydrophobicContact CG-CE1 3.76Å; Q136-F303 HydrophobicContact CG-CZ 4.12Å; Q136-F303 PolarHBondContact NE2-O 2.58Å; Q136-F304 HydrophobicContact CG-CD1 3.69Å; Q136-F304 HydrophobicContact CG-CE1 4.01Å; Q136-I306 PolarHBondContact NE2-O 3.02Å; Q136-F308 HydrophobicContact CB-CD2 4.08Å; Q136-F308 HydrophobicContact CB-CE2 4.25Å; Q136-F308 HydrophobicContact CG-CD2 4.44Å; Q136-F308 HydrophobicContact CG-CE2 4.49Å
137H96.6Very high95.6Very high47 Ų4729.9 Ų29.922%0.21815%0.146CC..Hα-helixtrans-64.3-48.1-179.9-15378.7000111.2W133 R140 D141 W166 E171W133-H137 WeakPolarHBondContact O-CB 3.49Å; W133-H137 PolarHBondContact O-N 2.86Å; H137-R140 PolarHBondContact O-N 2.82Å; H137-D141 IonicContact CD2-OD2 3.25Å; H137-D141 IonicContact NE2-OD2 2.77Å; H137-D141 WeakPolarHBondContact O-CB 3.46Å; H137-D141 PolarHBondContact O-N 2.82Å; H137-D141 VanDerWaalsContact O-N 3.08Å; H137-W166 AromaticContact CD2-CZ3 3.69Å; H137-W166 AromaticContact NE2-CH2 4Å; H137-W166 AromaticContact NE2-CZ3 3.81Å; H137-E171 PolarHBondContact NE2-O 3.36Å
138C98.6Very high96.6Very high0 Ų025.3 Ų25.30%012%0.124CC..Hα-helixtrans-60.6-48174.5-178.50000112.4M134 R140 D141 V142 F173 M235M134-C138 VanDerWaalsContact O-CB 3.27Å; M134-C138 WeakPolarHBondContact O-CB 3.42Å; M134-C138 PolarHBondContact O-N 2.76Å; C138-R140 VanDerWaalsContact C-N 3.35Å; C138-R140 PolarHBondContact O-N 3.22Å; C138-D141 PolarHBondContact O-N 2.83Å; C138-V142 WeakPolarHBondContact O-CB 3.32Å; C138-V142 VanDerWaalsContact O-CG2 3.26Å; C138-V142 WeakPolarHBondContact O-CG2 3.27Å; C138-V142 PolarHBondContact O-N 3.17Å; C138-F173 VanDerWaalsContact CA-CD2 3.44Å; C138-F173 HydrophobicContact CB-CD2 3.81Å; C138-F173 HydrophobicContact CB-CE2 3.76Å; C138-F173 HydrophobicContact CB-CG 4.3Å; C138-F173 HydrophobicContact CB-CZ 4.22Å; C138-M235 HydrophobicContact CB-CE 3.83Å; C138-M235 HydrophobicContact CB-SD 4.17Å
139A98.8Very high97.2Very high0 Ų018.4 Ų18.40%09%0.092CC..Hα-helixtrans-60.4-43.9-179.800000111.9I135 Q136 L143 L232 F304I135-A139 WeakPolarHBondContact O-CB 3.47Å; I135-A139 PolarHBondContact O-N 2.88Å; Q136-A139 PolarHBondContact O-N 2.96Å; A139-L143 VanDerWaalsContact O-CB 3.22Å; A139-L143 WeakPolarHBondContact O-CB 3.23Å; A139-L143 WeakPolarHBondContact O-CD1 3.26Å; A139-L143 WeakPolarHBondContact O-CG 3.46Å; A139-L143 PolarHBondContact O-N 3.36Å; A139-L232 HydrophobicContact CB-CD1 3.78Å; A139-L232 HydrophobicContact CB-CD2 3.74Å; A139-L232 HydrophobicContact CB-CG 4.43Å; A139-F304 HydrophobicContact CB-CE1 4.02Å; A139-F304 HydrophobicContact CB-CZ 3.9Å
140R98.8Very high97.5Very high72 Ų7218.8 Ų18.827%0.2729%0.091SC..Hα-helixtrans-63.8-53.2179.8-172.8-174.6-57.3-88.64.2111.1Q136 H137 C138 V142 L143 E144 L299 F304Q136-R140 WeakPolarHBondContact O-CB 3.49Å; Q136-R140 PolarHBondContact O-N 3.39Å; H137-R140 PolarHBondContact O-N 2.82Å; C138-R140 VanDerWaalsContact C-N 3.35Å; C138-R140 PolarHBondContact O-N 3.22Å; R140-V142 VanDerWaalsContact C-N 3.32Å; R140-V142 PolarHBondContact O-N 2.8Å; R140-L143 PolarHBondContact O-N 2.84Å; R140-E144 HydrophobicContact CG-CG 4.48Å; R140-E144 WeakPolarHBondContact CG-OE1 3.21Å; R140-E144 WeakPolarHBondContact O-CG 3.4Å; R140-E144 PolarHBondContact O-N 2.75Å; R140-L299 HydrophobicContact CG-CD2 4.24Å; R140-F304 HydrophobicContact CB-CD1 4.04Å; R140-F304 HydrophobicContact CB-CE1 3.68Å; R140-F304 HydrophobicContact CB-CZ 4.46Å; R140-F304 HydrophobicContact CG-CD1 4.46Å; R140-F304 HydrophobicContact CG-CE1 4.46Å; R140-F304 VanDerWaalsContact NH2-CB 3.31Å; R140-F304 PolarHBondContact NH2-O 3.37Å
141D98.8Very high97.7Very high3 Ų325.2 Ų25.22%0.01612%0.118CC..Hα-helixtrans-60.1-41.4-178-82.1-26000112.2R87 N88 H137 C138 A145 C172 F173R87-D141 IonicContact NH1-OD1 3.5Å; R87-D141 PolarHBondContact NH1-OD1 2.77Å; N88-D141 VanDerWaalsContact CB-O 3.24Å; N88-D141 WeakPolarHBondContact CB-O 3.5Å; N88-D141 WeakPolarHBondContact ND2-CB 3.21Å; N88-D141 PolarHBondContact ND2-OD1 2.95Å; H137-D141 IonicContact CD2-OD2 3.25Å; H137-D141 IonicContact NE2-OD2 2.77Å; H137-D141 WeakPolarHBondContact O-CB 3.46Å; H137-D141 PolarHBondContact O-N 2.82Å; H137-D141 VanDerWaalsContact O-N 3.08Å; C138-D141 PolarHBondContact O-N 2.83Å; D141-A145 PolarHBondContact O-N 2.9Å; D141-C172 WeakPolarHBondContact OD2-CA 3.49Å; D141-C172 VanDerWaalsContact OD2-CB 3.3Å; D141-C172 WeakPolarHBondContact OD2-CB 3.24Å; D141-F173 HydrophobicContact CB-CB 3.9Å; D141-F173 PolarHBondContact OD2-N 2.85Å
142V98.9Very high97.9Very high1 Ų126.4 Ų26.41%0.00612%0.12CC..Hα-helixtrans-71.3-39.5177.9176.20000111.4C138 R140 A145 L146 I164 L175 L228C138-V142 WeakPolarHBondContact O-CB 3.32Å; C138-V142 VanDerWaalsContact O-CG2 3.26Å; C138-V142 WeakPolarHBondContact O-CG2 3.27Å; C138-V142 PolarHBondContact O-N 3.17Å; R140-V142 VanDerWaalsContact C-N 3.32Å; R140-V142 PolarHBondContact O-N 2.8Å; V142-A145 WeakPolarHBondContact O-CB 3.33Å; V142-A145 PolarHBondContact O-N 3.4Å; V142-L146 HydrophobicContact CG1-CD1 4.14Å; V142-L146 HydrophobicContact CG1-CG 4.28Å; V142-L146 WeakPolarHBondContact O-CB 3.29Å; V142-L146 VanDerWaalsContact O-CG 3.32Å; V142-L146 WeakPolarHBondContact O-CG 3.34Å; V142-L146 PolarHBondContact O-N 3.49Å; V142-I164 HydrophobicContact CG2-CD1 4.01Å; V142-I164 HydrophobicContact CG2-CG1 4.22Å; V142-I164 HydrophobicContact CG2-CG2 3.64Å; V142-L175 HydrophobicContact CG1-CD2 3.99Å; V142-L175 HydrophobicContact CG2-CD2 4.16Å; V142-L228 HydrophobicContact CB-CD1 4.17Å; V142-L228 HydrophobicContact CB-CD2 4.46Å; V142-L228 HydrophobicContact CG1-CD1 3.75Å; V142-L228 HydrophobicContact CG1-CD2 3.95Å; V142-L228 HydrophobicContact CG1-CG 4.41Å
143L98.9Very high97.9Very high0 Ų026.8 Ų26.80%013%0.128CC..Hα-helixtrans-66.4-37.1175.3-77172.2000112.6A139 R140 A145 L146 A147 L225 L228 M284 A295 A298 L299 F304A139-L143 VanDerWaalsContact O-CB 3.22Å; A139-L143 WeakPolarHBondContact O-CB 3.23Å; A139-L143 WeakPolarHBondContact O-CD1 3.26Å; A139-L143 WeakPolarHBondContact O-CG 3.46Å; A139-L143 PolarHBondContact O-N 3.36Å; R140-L143 PolarHBondContact O-N 2.84Å; L143-A145 VanDerWaalsContact C-N 3.34Å; L143-L146 PolarHBondContact O-N 3.18Å; L143-A147 VanDerWaalsContact O-CB 3.31Å; L143-A147 WeakPolarHBondContact O-CB 3.09Å; L143-A147 PolarHBondContact O-N 3.14Å; L143-L225 HydrophobicContact CD2-CD1 3.77Å; L143-L228 HydrophobicContact CD2-CD2 3.65Å; L143-L228 HydrophobicContact CG-CD2 3.78Å; L143-M284 HydrophobicContact CD1-CE 3.94Å; L143-M284 HydrophobicContact CD2-CE 3.85Å; L143-M284 HydrophobicContact CG-CE 4.27Å; L143-A295 HydrophobicContact CD2-CB 4.12Å; L143-A298 HydrophobicContact CD1-CB 3.78Å; L143-A298 HydrophobicContact CD2-CB 3.73Å; L143-A298 HydrophobicContact CG-CB 4.41Å; L143-L299 HydrophobicContact CB-CD1 4.44Å; L143-L299 HydrophobicContact CB-CD2 3.53Å; L143-L299 HydrophobicContact CB-CG 3.77Å; L143-L299 HydrophobicContact CD1-CD2 4.28Å; L143-L299 HydrophobicContact CD1-CG 4.46Å; L143-F304 HydrophobicContact CD1-CE2 3.75Å; L143-F304 HydrophobicContact CD1-CZ 3.66Å
144E98.8Very high98.1Very high54 Ų5426.1 Ų26.125%0.25213%0.126SC..Hα-helixtrans-59.8-45.8171.5-75.4175.1-170.900110.5R87 N88 R140 L146 F148 L299R87-E144 IonicContact NH1-OE2 2.93Å; R87-E144 PolarHBondContact NH1-OE2 3Å; N88-E144 PolarHBondContact OD1-OE2 3.5Å; R140-E144 HydrophobicContact CG-CG 4.48Å; R140-E144 WeakPolarHBondContact CG-OE1 3.21Å; R140-E144 WeakPolarHBondContact O-CG 3.4Å; R140-E144 PolarHBondContact O-N 2.75Å; E144-L146 PolarHBondContact O-N 3.14Å; E144-F148 PolarHBondContact O-N 2.85Å; E144-L299 HydrophobicContact CG-CD1 4.3Å; E144-L299 HydrophobicContact CG-CD2 4.07Å
145A98.8Very high98.2Very high0 Ų026 Ų260%013%0.126CC..Hα-helixtrans-60.3-45.1174.700000112.7N88 I89 D141 V142 L143 L149 L175N88-A145 HydrophobicContact CB-CB 3.7Å; I89-A145 HydrophobicContact CG1-CB 4.32Å; D141-A145 PolarHBondContact O-N 2.9Å; V142-A145 WeakPolarHBondContact O-CB 3.33Å; V142-A145 PolarHBondContact O-N 3.4Å; L143-A145 VanDerWaalsContact C-N 3.34Å; A145-L149 VanDerWaalsContact O-CB 3.23Å; A145-L149 WeakPolarHBondContact O-CB 3.49Å; A145-L149 PolarHBondContact O-N 3.46Å; A145-L175 HydrophobicContact CB-CD1 3.6Å; A145-L175 HydrophobicContact CB-CG 3.85Å
146L98.9Very high98.2Very high0 Ų026 Ų260%013%0.126CC..Hα-helixtrans-68.9-42.3-178.7-72.2179.5000112.2V142 L143 E144 F148 L149 H150 L159 L175 D224 L225 L228 A295V142-L146 HydrophobicContact CG1-CD1 4.14Å; V142-L146 HydrophobicContact CG1-CG 4.28Å; V142-L146 WeakPolarHBondContact O-CB 3.29Å; V142-L146 VanDerWaalsContact O-CG 3.32Å; V142-L146 WeakPolarHBondContact O-CG 3.34Å; V142-L146 PolarHBondContact O-N 3.49Å; L143-L146 PolarHBondContact O-N 3.18Å; E144-L146 PolarHBondContact O-N 3.14Å; L146-F148 VanDerWaalsContact C-N 3.31Å; L146-F148 PolarHBondContact O-N 3.34Å; L146-L149 HydrophobicContact CD2-CD2 4.13Å; L146-L149 PolarHBondContact O-N 2.74Å; L146-H150 WeakPolarHBondContact O-CB 3.37Å; L146-H150 PolarHBondContact O-CD2 3.46Å; L146-H150 PolarHBondContact O-N 3.37Å; L146-H150 PolarHBondContact O-ND1 3.16Å; L146-L159 HydrophobicContact CD1-CD1 3.88Å; L146-L159 HydrophobicContact CD2-CD1 4.05Å; L146-L159 HydrophobicContact CG-CD1 4.41Å; L146-L175 HydrophobicContact CD2-CD1 4.03Å; L146-L175 HydrophobicContact CG-CD1 4.4Å; L146-D224 HydrophobicContact CD1-CB 4.19Å; L146-D224 HydrophobicContact CD2-CB 3.87Å; L146-L225 HydrophobicContact CD1-CD2 4.49Å; L146-L228 HydrophobicContact CD1-CD2 4.1Å; L146-A295 HydrophobicContact CB-CB 3.9Å
147A98.8Very high98.1Very high14 Ų1425.1 Ų25.112%0.11612%0.121CC..Hα-helixtrans-57.1-46.5175.200000111.1L143 H151 A295 E296 L299L143-A147 VanDerWaalsContact O-CB 3.31Å; L143-A147 WeakPolarHBondContact O-CB 3.09Å; L143-A147 PolarHBondContact O-N 3.14Å; A147-H151 VanDerWaalsContact O-CB 3.26Å; A147-H151 WeakPolarHBondContact O-CB 3.4Å; A147-H151 PolarHBondContact O-N 3.47Å; A147-A295 HydrophobicContact CB-CB 4.02Å; A147-E296 WeakPolarHBondContact CA-OE1 3.02Å; A147-E296 HydrophobicContact CB-CG 3.96Å; A147-L299 HydrophobicContact CB-CD1 4.27Å
148F98.7Very high98.1Very high53 Ų5323.3 Ų23.323%0.23211%0.114CC..Hα-helixtrans-62.4-48.3174170.8-102.4000112.5L83 H86 I89 E144 L146 H150 H151 E152L83-F148 HydrophobicContact CB-CE1 4.3Å; L83-F148 HydrophobicContact CD2-CE1 3.96Å; H86-F148 HydrophobicContact CB-CD1 3.64Å; H86-F148 HydrophobicContact CB-CE1 3.77Å; H86-F148 HydrophobicContact CB-CG 4.11Å; H86-F148 HydrophobicContact CB-CZ 4.36Å; H86-F148 AromaticContact CD2-CD1 3.93Å; H86-F148 AromaticContact CD2-CG 3.53Å; H86-F148 AromaticContact CG-CD1 3.79Å; H86-F148 AromaticContact CG-CG 3.89Å; I89-F148 HydrophobicContact CD1-CD1 3.64Å; I89-F148 HydrophobicContact CD1-CE1 3.85Å; E144-F148 PolarHBondContact O-N 2.85Å; L146-F148 VanDerWaalsContact C-N 3.31Å; L146-F148 PolarHBondContact O-N 3.34Å; F148-H150 VanDerWaalsContact C-N 3.34Å; F148-H150 PolarHBondContact O-N 2.93Å; F148-H151 WeakPolarHBondContact O-CB 3.06Å; F148-H151 PolarHBondContact O-N 2.93Å; F148-E152 HydrophobicContact CD2-CG 4.46Å; F148-E152 HydrophobicContact CE1-CG 4.37Å; F148-E152 HydrophobicContact CE2-CG 3.93Å; F148-E152 HydrophobicContact CZ-CG 3.88Å; F148-E152 PolarHBondContact O-N 3.29Å
149L98.1Very high98.1Very high0 Ų023.3 Ų23.30%011%0.114CC..Hα-helixtrans-58.5-46-179.1-17670.6000112.1L83 A145 L146 E152 G153 Y154 H156 F178L83-L149 HydrophobicContact CD1-CD1 3.23Å; L83-L149 HydrophobicContact CD2-CD1 3.65Å; L83-L149 HydrophobicContact CG-CD1 4.05Å; A145-L149 VanDerWaalsContact O-CB 3.23Å; A145-L149 WeakPolarHBondContact O-CB 3.49Å; A145-L149 PolarHBondContact O-N 3.46Å; L146-L149 HydrophobicContact CD2-CD2 4.13Å; L146-L149 PolarHBondContact O-N 2.74Å; L149-E152 PolarHBondContact O-N 2.78Å; L149-G153 PolarHBondContact O-N 2.87Å; L149-Y154 CarbonylContact C-O 3.3Å; L149-Y154 VanDerWaalsContact CD1-CB 3.44Å; L149-Y154 HydrophobicContact CD1-CG 4.29Å; L149-Y154 PolarHBondContact O-N 2.96Å; L149-H156 HydrophobicContact CD2-CB 3.63Å; L149-F178 HydrophobicContact CD1-CE1 3.93Å; L149-F178 HydrophobicContact CD2-CE1 4.5Å
150H98.2Very high98.1Very high21 Ų2125.2 Ų25.210%0.09712%0.122CC..Hα-helixtrans-70.4-36.3-178.4-62.7173.4000110.8L146 F148 E152 G153 Y154 S221 D224 L225L146-H150 WeakPolarHBondContact O-CB 3.37Å; L146-H150 PolarHBondContact O-CD2 3.46Å; L146-H150 PolarHBondContact O-N 3.37Å; L146-H150 PolarHBondContact O-ND1 3.16Å; F148-H150 VanDerWaalsContact C-N 3.34Å; F148-H150 PolarHBondContact O-N 2.93Å; H150-E152 VanDerWaalsContact C-N 3.34Å; H150-E152 PolarHBondContact O-N 2.96Å; H150-G153 WeakPolarHBondContact O-CA 3.32Å; H150-G153 PolarHBondContact O-N 3.25Å; H150-Y154 PolarHBondContact CD2-O 3.36Å; H150-Y154 VanDerWaalsContact CD2-O 3.23Å; H150-S221 PolarHBondContact CE1-O 2.78Å; H150-D224 IonicContact CD2-OD2 3.7Å; H150-D224 IonicContact CE1-OD2 3.89Å; H150-D224 IonicContact NE2-OD2 2.74Å; H150-D224 PolarHBondContact NE2-OD2 3.21Å; H150-L225 VanDerWaalsContact CE1-CD2 3.42Å; H150-L225 WeakPolarHBondContact CE1-CD2 3.46Å
151H97.6Very high98.1Very high150 Ų15022 Ų2269%0.69411%0.11SC*.Hα-helixtrans-61-40171.3-174.778.4000112.8A147 F148 G153A147-H151 VanDerWaalsContact O-CB 3.26Å; A147-H151 WeakPolarHBondContact O-CB 3.4Å; A147-H151 PolarHBondContact O-N 3.47Å; F148-H151 WeakPolarHBondContact O-CB 3.06Å; F148-H151 PolarHBondContact O-N 2.93Å; H151-G153 PolarHBondContact O-N 2.77Å
152E97.3Very high98Very high61 Ų6129.3 Ų29.329%0.28514%0.137SC..THydrogen-bonded Turntrans-73.41.9173.6-70-64.6128.400113.3Q82 L83 F148 L149 H150 Y154Q82-E152 PolarHBondContact NE2-OE2 3.35Å; L83-E152 HydrophobicContact CD2-CB 3.92Å; L83-E152 HydrophobicContact CD2-CG 4.18Å; F148-E152 HydrophobicContact CD2-CG 4.46Å; F148-E152 HydrophobicContact CE1-CG 4.37Å; F148-E152 HydrophobicContact CE2-CG 3.93Å; F148-E152 HydrophobicContact CZ-CG 3.88Å; F148-E152 PolarHBondContact O-N 3.29Å; L149-E152 PolarHBondContact O-N 2.78Å; H150-E152 VanDerWaalsContact C-N 3.34Å; H150-E152 PolarHBondContact O-N 2.96Å; E152-Y154 VanDerWaalsContact C-N 3.35Å; E152-Y154 HydrophobicContact CB-CD2 4.24Å
153G96.1Very high97.9Very high25 Ų2529.5 Ų29.526%0.25814%0.138SC..THydrogen-bonded Turntrans77.116.8177.600000114.1L149 H150 H151 K183 E184L149-G153 PolarHBondContact O-N 2.87Å; H150-G153 WeakPolarHBondContact O-CA 3.32Å; H150-G153 PolarHBondContact O-N 3.25Å; H151-G153 PolarHBondContact O-N 2.77Å; G153-K183 CarbonylContact O-C 3.59Å; G153-K183 VanDerWaalsContact O-CA 3.24Å; G153-K183 WeakPolarHBondContact O-CA 3.33Å; G153-E184 PolarHBondContact O-N 2.7Å
154Y97.1Very high97.9Very high26 Ų2629.5 Ų29.510%0.10214%0.138CC..EExtended strand (participates in β ladder)trans-97147.7176.4-80.8-94.2000111.6A79 Q82 L83 L149 H150 E152 F182 K183A79-Y154 HydrophobicContact CB-CD1 4.45Å; A79-Y154 HydrophobicContact CB-CE1 4Å; Q82-Y154 HydrophobicContact CB-CE2 4.35Å; Q82-Y154 HydrophobicContact CG-CE2 3.85Å; L83-Y154 HydrophobicContact CD1-CG 4.3Å; L83-Y154 HydrophobicContact CD2-CD2 3.97Å; L83-Y154 HydrophobicContact CD2-CE2 4.47Å; L83-Y154 HydrophobicContact CD2-CG 4.42Å; L83-Y154 HydrophobicContact CG-CD2 4.42Å; L149-Y154 CarbonylContact C-O 3.3Å; L149-Y154 VanDerWaalsContact CD1-CB 3.44Å; L149-Y154 HydrophobicContact CD1-CG 4.29Å; L149-Y154 PolarHBondContact O-N 2.96Å; H150-Y154 PolarHBondContact CD2-O 3.36Å; H150-Y154 VanDerWaalsContact CD2-O 3.23Å; E152-Y154 VanDerWaalsContact C-N 3.35Å; E152-Y154 HydrophobicContact CB-CD2 4.24Å; Y154-F182 CarbonylContact C-O 3.54Å; Y154-F182 WeakPolarHBondContact CA-O 3.29Å; Y154-K183 HydrophobicContact CD1-CG 4.21Å; Y154-K183 HydrophobicContact CD2-CG 4.27Å; Y154-K183 HydrophobicContact CE1-CG 3.94Å; Y154-K183 HydrophobicContact CE2-CD 4.27Å; Y154-K183 HydrophobicContact CE2-CG 3.98Å; Y154-K183 HydrophobicContact CG-CG 4.38Å; Y154-K183 VanDerWaalsContact CZ-CE 3.44Å; Y154-K183 WeakPolarHBondContact OH-CE 3.36Å
155V97.7Very high97.9Very high0 Ų028.2 Ų28.20%013%0.133CC..EExtended strand (participates in β ladder)trans-112.2130.7166.9-175.40000107.4A157 S181 F182 E184 V223V155-A157 HydrophobicContact CG1-CB 4.21Å; V155-S181 CarbonylContact O-C 3.6Å; V155-S181 WeakPolarHBondContact O-CA 3.44Å; V155-S181 VanDerWaalsContact O-CB 3.23Å; V155-S181 WeakPolarHBondContact O-CB 3.45Å; V155-F182 HydrophobicContact CB-CD1 4.31Å; V155-F182 HydrophobicContact CB-CD2 4.36Å; V155-F182 HydrophobicContact CB-CE1 3.88Å; V155-F182 HydrophobicContact CB-CE2 3.92Å; V155-F182 HydrophobicContact CB-CZ 3.66Å; V155-F182 HydrophobicContact CG1-CE1 3.94Å; V155-F182 HydrophobicContact CG1-CZ 3.8Å; V155-F182 HydrophobicContact CG2-CD2 4.36Å; V155-F182 HydrophobicContact CG2-CE2 3.74Å; V155-F182 HydrophobicContact CG2-CZ 3.85Å; V155-F182 PolarHBondContact N-O 3.42Å; V155-F182 PolarHBondContact O-N 3.29Å; V155-F182 VanDerWaalsContact O-N 3.09Å; V155-E184 HydrophobicContact CG2-CB 4.36Å; V155-V223 HydrophobicContact CG1-CG2 3.6Å
156H97.9Very high97.9Very high0 Ų028.5 Ų28.50%013%0.134CC..  trans-68.2-47-179.4-172.8-55.7000110.9L149 D158 L159 I176 D177 S181 D224L149-H156 HydrophobicContact CD2-CB 3.63Å; H156-D158 PolarHBondContact ND1-N 3.46Å; H156-D158 PolarHBondContact O-N 2.78Å; H156-D158 VanDerWaalsContact O-N 3.16Å; H156-L159 HydrophobicContact CB-CG 4.45Å; H156-I176 PolarHBondContact NE2-O 2.66Å; H156-I176 VanDerWaalsContact NE2-O 3.12Å; H156-D177 PolarHBondContact CE1-O 3.1Å; H156-D177 VanDerWaalsContact CE1-O 3.23Å; H156-S181 WeakPolarHBondContact CA-OG 3.38Å; H156-S181 WeakPolarHBondContact O-CA 3.48Å; H156-S181 PolarHBondContact O-N 3.48Å; H156-S181 PolarHBondContact O-OG 3Å; H156-D224 PolarHBondContact N-OD1 3.06Å; H156-D224 PolarHBondContact N-OD2 2.84Å
157A97.3Very high97.8Very high0 Ų028.7 Ų28.70%014%0.135CC..  trans64.710.9173.500000116.5V155 L180 F182 I192 Q193 D224V155-A157 HydrophobicContact CG1-CB 4.21Å; A157-L180 HydrophobicContact CB-CB 4.44Å; A157-F182 HydrophobicContact CB-CD1 3.92Å; A157-F182 HydrophobicContact CB-CE1 3.58Å; A157-I192 HydrophobicContact CB-CB 4.19Å; A157-I192 HydrophobicContact CB-CG2 4.3Å; A157-Q193 WeakPolarHBondContact O-CA 3.47Å; A157-Q193 WeakPolarHBondContact O-CG 3.43Å; A157-Q193 PolarHBondContact O-N 3.22Å; A157-D224 PolarHBondContact N-OD1 3.12Å
158D96.8Very high97.6Very high10 Ų1028 Ų285%0.05313%0.13CC..  trans-150.437175.3-158.430.8000113.5H156 K160 N163 L180 T194H156-D158 PolarHBondContact ND1-N 3.46Å; H156-D158 PolarHBondContact O-N 2.78Å; H156-D158 VanDerWaalsContact O-N 3.16Å; D158-K160 PolarHBondContact O-N 3.45Å; D158-K160 IonicContact OD1-NZ 3.81Å; D158-K160 PolarHBondContact OD1-NZ 2.91Å; D158-K160 WeakPolarHBondContact OD2-CE 3.26Å; D158-K160 IonicContact OD2-NZ 2.89Å; D158-K160 PolarHBondContact OD2-NZ 2.77Å; D158-N163 PolarHBondContact O-ND2 3.42Å; D158-N163 VanDerWaalsContact O-ND2 3.09Å; D158-N163 PolarHBondContact OD2-ND2 2.73Å; D158-L180 HydrophobicContact CB-CB 4.2Å; D158-L180 HydrophobicContact CB-CD1 3.92Å; D158-L180 HydrophobicContact CB-CG 4.29Å; D158-T194 PolarHBondContact OD1-N 2.8Å; D158-T194 PolarHBondContact OD1-OG1 2.83Å
159L98.6Very high97.1Very high0 Ų029.6 Ų29.60%014%0.138CC..  trans-64.6127172.4-77.6-175.2000110.8L146 H156 L175 D224 L228 I231L146-L159 HydrophobicContact CD1-CD1 3.88Å; L146-L159 HydrophobicContact CD2-CD1 4.05Å; L146-L159 HydrophobicContact CG-CD1 4.41Å; H156-L159 HydrophobicContact CB-CG 4.45Å; L159-L175 HydrophobicContact CD2-CD1 4.14Å; L159-L175 HydrophobicContact CD2-CD2 3.49Å; L159-L175 VanDerWaalsContact CD2-CD2 3.49Å; L159-L175 HydrophobicContact CD2-CG 4.43Å; L159-D224 HydrophobicContact CD1-CB 4.02Å; L159-D224 WeakPolarHBondContact CD1-O 3.41Å; L159-L228 HydrophobicContact CD1-CB 4.37Å; L159-I231 HydrophobicContact CB-CD1 4.2Å
160K97.9Very high96.9Very high40 Ų4033.6 Ų33.617%0.17416%0.16CC..  trans-157.1161.1174.359.6-170.8157.7-151.80108.2D158 R162 N163 T194 Y197D158-K160 PolarHBondContact O-N 3.45Å; D158-K160 IonicContact OD1-NZ 3.81Å; D158-K160 PolarHBondContact OD1-NZ 2.91Å; D158-K160 WeakPolarHBondContact OD2-CE 3.26Å; D158-K160 IonicContact OD2-NZ 2.89Å; D158-K160 PolarHBondContact OD2-NZ 2.77Å; K160-R162 HydrophobicContact CG-CB 4.37Å; K160-R162 PolarHBondContact O-N 2.76Å; K160-N163 VanDerWaalsContact CE-CG 3.46Å; K160-N163 WeakPolarHBondContact CE-ND2 3.42Å; K160-N163 VanDerWaalsContact CE-OD1 3.31Å; K160-N163 WeakPolarHBondContact CE-OD1 3.25Å; K160-N163 HydrophobicContact CG-CB 4.1Å; K160-N163 PolarHBondContact O-N 2.97Å; K160-T194 HydrophobicContact CD-CG2 4.2Å; K160-T194 PolarHBondContact NZ-OG1 3.03Å; K160-Y197 HydrophobicContact CB-CD2 3.8Å; K160-Y197 HydrophobicContact CB-CE2 3.91Å; K160-Y197 HydrophobicContact CB-CG 4.35Å
161P98.1Very high96.8Very high3 Ų334 Ų342%0.01916%0.162CC..G310 helixtrans-56.6-27.1-177.4-29.337.6000114.5V118 S119 L122 N163 Y197 I231V118-P161 HydrophobicContact CB-CB 4.12Å; V118-P161 WeakPolarHBondContact CB-O 3.44Å; V118-P161 HydrophobicContact CG1-CB 4.02Å; V118-P161 PolarHBondContact N-O 3.33Å; S119-P161 PolarHBondContact N-O 3.04Å; L122-P161 HydrophobicContact CD1-CB 3.95Å; L122-P161 HydrophobicContact CD1-CG 3.89Å; P161-N163 VanDerWaalsContact C-N 3.3Å; P161-Y197 VanDerWaalsContact CD-OH 3.26Å; P161-Y197 WeakPolarHBondContact CD-OH 3.37Å; P161-Y197 HydrophobicContact CG-CE1 3.97Å; P161-Y197 WeakPolarHBondContact CG-OH 2.99Å; P161-I231 HydrophobicContact CG-CG1 4.13Å; P161-I231 HydrophobicContact CG-CG2 4.38Å
162R96.8Very high96.8Very high158 Ų15826.9 Ų26.960%0.59613%0.129SC*.G310 helixtrans-73.8-20.4177.3-174.6177.5-60.9-79.6-2.8113.2K160 L165K160-R162 HydrophobicContact CG-CB 4.37Å; K160-R162 PolarHBondContact O-N 2.76Å; R162-L165 WeakPolarHBondContact O-CD1 2.93Å
163N98.3Very high96.9Very high4 Ų424 Ų242%0.02112%0.115CC..G310 helixtrans-99.511.8-177-70.99.8000112.8D158 K160 P161 I176 D177D158-N163 PolarHBondContact O-ND2 3.42Å; D158-N163 VanDerWaalsContact O-ND2 3.09Å; D158-N163 PolarHBondContact OD2-ND2 2.73Å; K160-N163 VanDerWaalsContact CE-CG 3.46Å; K160-N163 WeakPolarHBondContact CE-ND2 3.42Å; K160-N163 VanDerWaalsContact CE-OD1 3.31Å; K160-N163 WeakPolarHBondContact CE-OD1 3.25Å; K160-N163 HydrophobicContact CG-CB 4.1Å; K160-N163 PolarHBondContact O-N 2.97Å; P161-N163 VanDerWaalsContact C-N 3.3Å; N163-I176 HydrophobicContact CB-CG1 4.06Å; N163-I176 WeakPolarHBondContact O-CG1 3.39Å; N163-I176 PolarHBondContact O-N 3.22Å; N163-D177 PolarHBondContact ND2-OD2 3.25Å
164I98.8Very high97Very high0 Ų023.2 Ų23.20%010%0.104CC..EExtended strand (participates in β ladder)trans-123109.8174.6-54.5166.9000106.6S117 V118 V142 F173 K174 L175 I231S117-I164 CarbonylContact C-O 3.58Å; S117-I164 WeakPolarHBondContact CA-O 3.02Å; V118-I164 HydrophobicContact CB-CB 4.35Å; V118-I164 HydrophobicContact CG2-CB 3.72Å; V118-I164 HydrophobicContact CG2-CG2 3.59Å; V118-I164 PolarHBondContact N-O 3.45Å; V142-I164 HydrophobicContact CG2-CD1 4.01Å; V142-I164 HydrophobicContact CG2-CG1 4.22Å; V142-I164 HydrophobicContact CG2-CG2 3.64Å; I164-F173 HydrophobicContact CG2-CB 3.98Å; I164-F173 HydrophobicContact CG2-CD1 3.97Å; I164-F173 HydrophobicContact CG2-CG 4.29Å; I164-K174 WeakPolarHBondContact CA-O 3.26Å; I164-L175 HydrophobicContact CG1-CD2 3.8Å; I164-I231 HydrophobicContact CD1-CD1 3.79Å; I164-I231 HydrophobicContact CD1-CG2 4.15Å
165L98.5Very high97.1Very high27 Ų2722 Ų2214%0.14110%0.1CC..EExtended strand (participates in β ladder)trans-121.2147-175.2-82.768.9000111.4L114 R162 F173 K174 I176L114-L165 HydrophobicContact CB-CB 3.75Å; L114-L165 HydrophobicContact CB-CD2 3.76Å; L114-L165 HydrophobicContact CB-CG 4.41Å; L114-L165 HydrophobicContact CD1-CB 3.75Å; L114-L165 HydrophobicContact CD1-CD2 4.46Å; L114-L165 HydrophobicContact CG-CB 4.4Å; R162-L165 WeakPolarHBondContact O-CD1 2.93Å; L165-F173 CarbonylContact O-C 3.44Å; L165-F173 WeakPolarHBondContact O-CA 3.39Å; L165-K174 PolarHBondContact N-O 3.17Å; L165-K174 PolarHBondContact O-N 2.77Å; L165-I176 HydrophobicContact CD1-CD1 3.5Å; L165-I176 VanDerWaalsContact CD1-CD1 3.5Å; L165-I176 HydrophobicContact CD1-CG1 3.93Å; L165-I176 HydrophobicContact CD2-CD1 4.28Å
166W98Very high97.1Very high6 Ų623.8 Ų23.82%0.02311%0.109CC..EExtended strand (participates in β ladder)trans-75.3135.4173.9179.9-109.7000111.7D115 V116 H137 E171 F173 L318 P319D115-W166 PolarHBondContact N-O 2.81Å; V116-W166 WeakPolarHBondContact O-CB 3.47Å; V116-W166 PolarHBondContact O-N 2.93Å; H137-W166 AromaticContact CD2-CZ3 3.69Å; H137-W166 AromaticContact NE2-CH2 4Å; H137-W166 AromaticContact NE2-CZ3 3.81Å; W166-E171 VanDerWaalsContact CH2-CA 3.43Å; W166-E171 HydrophobicContact CH2-CB 4.02Å; W166-E171 VanDerWaalsContact CH2-O 3.23Å; W166-E171 WeakPolarHBondContact CH2-O 3.27Å; W166-E171 VanDerWaalsContact CZ2-CA 3.48Å; W166-E171 HydrophobicContact CZ2-CB 4.11Å; W166-E171 VanDerWaalsContact CZ3-C 3.41Å; W166-F173 HydrophobicContact CB-CD1 4.44Å; W166-F173 HydrophobicContact CB-CE1 4.25Å; W166-F173 HydrophobicContact CE3-CD1 4.33Å; W166-F173 AromaticContact CE3-CD2 3.94Å; W166-F173 HydrophobicContact CE3-CD2 3.94Å; W166-F173 HydrophobicContact CE3-CE1 4.25Å; W166-F173 AromaticContact CE3-CE2 3.85Å; W166-F173 HydrophobicContact CE3-CE2 3.85Å; W166-F173 HydrophobicContact CE3-CG 4.19Å; W166-F173 HydrophobicContact CE3-CZ 4.02Å; W166-F173 HydrophobicContact CZ3-CD2 4.13Å; W166-F173 HydrophobicContact CZ3-CE2 4.04Å; W166-L318 HydrophobicContact CB-CD2 4.26Å; W166-L318 HydrophobicContact CD2-CB 4.37Å; W166-L318 HydrophobicContact CD2-CD1 4.24Å; W166-L318 HydrophobicContact CD2-CD2 3.93Å; W166-L318 HydrophobicContact CD2-CG 4.41Å; W166-L318 HydrophobicContact CE3-CD1 4.13Å; W166-L318 HydrophobicContact CE3-CD2 4.27Å; W166-L318 HydrophobicContact CG-CD2 3.93Å; W166-L318 HydrophobicContact CH2-CD1 3.96Å; W166-L318 HydrophobicContact CZ2-CB 4.13Å; W166-L318 HydrophobicContact CZ2-CD1 4.08Å; W166-L318 HydrophobicContact CZ3-CD1 4Å; W166-P319 PolarHBondContact NE1-O 3.36Å
167S96.8Very high96.9Very high4 Ų425.8 Ų25.83%0.02812%0.12CC..EExtended strand (participates in β ladder)trans-101.1106166.4-176.70000108.8E169 N170 E171 C172S167-E169 VanDerWaalsContact C-N 3.31Å; S167-E169 PolarHBondContact O-N 2.77Å; S167-N170 PolarHBondContact O-N 3.43Å; S167-N170 PolarHBondContact OG-ND2 3.49Å; S167-E171 WeakPolarHBondContact O-CA 3.05Å; S167-E171 PolarHBondContact O-N 3.39Å; S167-C172 WeakPolarHBondContact CB-O 3.18Å; S167-C172 PolarHBondContact N-O 2.91Å; S167-C172 PolarHBondContact O-N 3.29Å
168A94.3Very high96.8Very high1 Ų125.8 Ų25.81%0.00812%0.12CC..THydrogen-bonded Turntrans-63.4-36.9-179.200000113.4D115 P319 P321 A379D115-A168 WeakPolarHBondContact OD2-CB 3.29Å; A168-P319 VanDerWaalsContact CA-O 3.26Å; A168-P319 WeakPolarHBondContact CA-O 3.34Å; A168-P319 HydrophobicContact CB-CB 4.04Å; A168-P319 WeakPolarHBondContact CB-O 3.36Å; A168-P321 WeakPolarHBondContact O-CD 3.46Å; A168-A379 HydrophobicContact CB-CB 3.23Å
169E90.3Very high96.6Very high86 Ų8626.1 Ų26.140%0.40213%0.125SC..THydrogen-bonded Turntrans-69.9-34.8179.6-57.7-60.3159.500112.6S167 P321 N378 A379S167-E169 VanDerWaalsContact C-N 3.31Å; S167-E169 PolarHBondContact O-N 2.77Å; E169-P321 WeakPolarHBondContact OE2-CG 3.3Å; E169-N378 VanDerWaalsContact OE1-CA 3.31Å; E169-N378 WeakPolarHBondContact OE1-CA 3.43Å; E169-A379 PolarHBondContact OE1-N 3.32Å
170N93.9Very high96.3Very high84 Ų8428.6 Ų28.645%0.44914%0.138SC..THydrogen-bonded Turntrans-103.3-1.5-175.8-60.3-60000113.9S167 C172 K174S167-N170 PolarHBondContact O-N 3.43Å; S167-N170 PolarHBondContact OG-ND2 3.49Å; N170-C172 VanDerWaalsContact C-N 3.28Å; N170-C172 VanDerWaalsContact CB-SG 3.58Å; N170-C172 PolarHBondContact O-N 2.83Å; N170-K174 PolarHBondContact ND2-NZ 2.95Å
171E95Very high96.2Very high30 Ų3026.8 Ų26.814%0.1413%0.13CC..THydrogen-bonded Turntrans5241.6179.9-47.5-169.2108.700114.1H137 W166 S167 P405 L406 S407H137-E171 PolarHBondContact NE2-O 3.36Å; W166-E171 VanDerWaalsContact CH2-CA 3.43Å; W166-E171 HydrophobicContact CH2-CB 4.02Å; W166-E171 VanDerWaalsContact CH2-O 3.23Å; W166-E171 WeakPolarHBondContact CH2-O 3.27Å; W166-E171 VanDerWaalsContact CZ2-CA 3.48Å; W166-E171 HydrophobicContact CZ2-CB 4.11Å; W166-E171 VanDerWaalsContact CZ3-C 3.41Å; S167-E171 WeakPolarHBondContact O-CA 3.05Å; S167-E171 PolarHBondContact O-N 3.39Å; E171-P405 WeakPolarHBondContact OE1-CA 3.4Å; E171-P405 WeakPolarHBondContact OE1-CB 3.5Å; E171-L406 PolarHBondContact OE1-N 2.99Å; E171-S407 WeakPolarHBondContact OE2-CB 3.27Å; E171-S407 PolarHBondContact OE2-N 3.23Å; E171-S407 PolarHBondContact OE2-OG 3.23Å
172C97.6Very high96Very high0 Ų026.8 Ų26.80%013%0.13CC..EExtended strand (participates in β ladder)trans-146.7156.8-178.856.80000113D141 S167 N170D141-C172 WeakPolarHBondContact OD2-CA 3.49Å; D141-C172 VanDerWaalsContact OD2-CB 3.3Å; D141-C172 WeakPolarHBondContact OD2-CB 3.24Å; S167-C172 WeakPolarHBondContact CB-O 3.18Å; S167-C172 PolarHBondContact N-O 2.91Å; S167-C172 PolarHBondContact O-N 3.29Å; N170-C172 VanDerWaalsContact C-N 3.28Å; N170-C172 VanDerWaalsContact CB-SG 3.58Å; N170-C172 PolarHBondContact O-N 2.83Å
173F98.7Very high95.9Very high1 Ų123.7 Ų23.70%0.00412%0.121CC..EExtended strand (participates in β ladder)trans-78.7142.9167.6-68.6-83.6000111N88 V118 L121 M134 C138 D141 I164 L165 W166 L318N88-F173 WeakPolarHBondContact CB-O 3.48Å; N88-F173 PolarHBondContact ND2-O 3.05Å; V118-F173 HydrophobicContact CG2-CD1 4.1Å; V118-F173 HydrophobicContact CG2-CE1 3.93Å; L121-F173 HydrophobicContact CD1-CE1 3.86Å; L121-F173 HydrophobicContact CD1-CZ 3.86Å; M134-F173 HydrophobicContact SD-CE2 4.27Å; M134-F173 HydrophobicContact SD-CZ 3.78Å; C138-F173 VanDerWaalsContact CA-CD2 3.44Å; C138-F173 HydrophobicContact CB-CD2 3.81Å; C138-F173 HydrophobicContact CB-CE2 3.76Å; C138-F173 HydrophobicContact CB-CG 4.3Å; C138-F173 HydrophobicContact CB-CZ 4.22Å; D141-F173 HydrophobicContact CB-CB 3.9Å; D141-F173 PolarHBondContact OD2-N 2.85Å; I164-F173 HydrophobicContact CG2-CB 3.98Å; I164-F173 HydrophobicContact CG2-CD1 3.97Å; I164-F173 HydrophobicContact CG2-CG 4.29Å; L165-F173 CarbonylContact O-C 3.44Å; L165-F173 WeakPolarHBondContact O-CA 3.39Å; W166-F173 HydrophobicContact CB-CD1 4.44Å; W166-F173 HydrophobicContact CB-CE1 4.25Å; W166-F173 HydrophobicContact CE3-CD1 4.33Å; W166-F173 AromaticContact CE3-CD2 3.94Å; W166-F173 HydrophobicContact CE3-CD2 3.94Å; W166-F173 HydrophobicContact CE3-CE1 4.25Å; W166-F173 AromaticContact CE3-CE2 3.85Å; W166-F173 HydrophobicContact CE3-CE2 3.85Å; W166-F173 HydrophobicContact CE3-CG 4.19Å; W166-F173 HydrophobicContact CE3-CZ 4.02Å; W166-F173 HydrophobicContact CZ3-CD2 4.13Å; W166-F173 HydrophobicContact CZ3-CE2 4.04Å; F173-L318 HydrophobicContact CZ-CD2 4.17Å
174K98.8Very high95.5Very high7 Ų727.6 Ų27.63%0.0314%0.139CC..EExtended strand (participates in β ladder)trans-129146177.2-51.9-159.5-175.9-169.90111.9R87 N88 E112 L114 I164 L165 N170R87-K174 WeakPolarHBondContact O-CD 3.28Å; R87-K174 WeakPolarHBondContact O-CE 3.21Å; R87-K174 PolarHBondContact O-NZ 2.91Å; N88-K174 CarbonylContact O-C 3.55Å; N88-K174 VanDerWaalsContact O-CA 3.23Å; N88-K174 WeakPolarHBondContact O-CA 3.27Å; E112-K174 VanDerWaalsContact CD-NZ 3.26Å; E112-K174 WeakPolarHBondContact OE1-CD 3.46Å; E112-K174 IonicContact OE1-NZ 3.98Å; E112-K174 PolarHBondContact OE1-NZ 3.23Å; E112-K174 IonicContact OE2-NZ 3.89Å; E112-K174 PolarHBondContact OE2-NZ 3.4Å; L114-K174 HydrophobicContact CD1-CB 4.03Å; L114-K174 HydrophobicContact CD2-CD 4.06Å; L114-K174 HydrophobicContact CD2-CG 4.43Å; I164-K174 WeakPolarHBondContact CA-O 3.26Å; L165-K174 PolarHBondContact N-O 3.17Å; L165-K174 PolarHBondContact O-N 2.77Å; N170-K174 PolarHBondContact ND2-NZ 2.95Å
175L98.8Very high94.9Very high1 Ų130.5 Ų30.51%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-80.1138.3170-61.6-173.6000111N88 V90 V142 A145 L146 L159 I164 F178N88-L175 PolarHBondContact O-N 3.21Å; V90-L175 PolarHBondContact N-O 3.45Å; V90-L175 VanDerWaalsContact N-O 3.07Å; V142-L175 HydrophobicContact CG1-CD2 3.99Å; V142-L175 HydrophobicContact CG2-CD2 4.16Å; A145-L175 HydrophobicContact CB-CD1 3.6Å; A145-L175 HydrophobicContact CB-CG 3.85Å; L146-L175 HydrophobicContact CD2-CD1 4.03Å; L146-L175 HydrophobicContact CG-CD1 4.4Å; L159-L175 HydrophobicContact CD2-CD1 4.14Å; L159-L175 HydrophobicContact CD2-CD2 3.49Å; L159-L175 VanDerWaalsContact CD2-CD2 3.49Å; L159-L175 HydrophobicContact CD2-CG 4.43Å; I164-L175 HydrophobicContact CG1-CD2 3.8Å; L175-F178 HydrophobicContact CB-CZ 4.29Å
176I97.7Very high94.4Very high37 Ų3734.4 Ų34.419%0.1919%0.19CC..  trans-127.2167.9174.165.2160.6000110.6V90 L114 H156 N163 L165V90-I176 HydrophobicContact CB-CG2 3.89Å; V90-I176 HydrophobicContact CG1-CB 4.48Å; V90-I176 HydrophobicContact CG1-CG2 4.21Å; V90-I176 HydrophobicContact CG2-CG2 4.13Å; L114-I176 HydrophobicContact CD1-CG2 3.55Å; H156-I176 PolarHBondContact NE2-O 2.66Å; H156-I176 VanDerWaalsContact NE2-O 3.12Å; N163-I176 HydrophobicContact CB-CG1 4.06Å; N163-I176 WeakPolarHBondContact O-CG1 3.39Å; N163-I176 PolarHBondContact O-N 3.22Å; L165-I176 HydrophobicContact CD1-CD1 3.5Å; L165-I176 VanDerWaalsContact CD1-CD1 3.5Å; L165-I176 HydrophobicContact CD1-CG1 3.93Å; L165-I176 HydrophobicContact CD2-CD1 4.28Å
177D94.6Very high93.9Very high43 Ų4335.5 Ų35.523%0.2320%0.195CC..  trans67.875.9168.1-162.920.9000114.2K54 H156 N163 G179K54-D177 IonicContact NZ-OD1 3.89Å; K54-D177 PolarHBondContact NZ-OD1 3.25Å; H156-D177 PolarHBondContact CE1-O 3.1Å; H156-D177 VanDerWaalsContact CE1-O 3.23Å; N163-D177 PolarHBondContact ND2-OD2 3.25Å; D177-G179 PolarHBondContact O-N 3.45Å
178F95.6Very high93.2Very high0 Ų038.9 Ų38.90%021%0.213CC..  trans-88.120.4179.7-64.7-98.3000112.9E76 A79 L80 L83 I89 V90 L149 L175 L180 S181E76-F178 HydrophobicContact CG-CB 4.18Å; A79-F178 HydrophobicContact CB-CB 3.9Å; A79-F178 HydrophobicContact CB-CG 4.45Å; L80-F178 HydrophobicContact CD2-CD2 3.49Å; L80-F178 VanDerWaalsContact CD2-CD2 3.49Å; L80-F178 HydrophobicContact CD2-CE2 3.71Å; L80-F178 HydrophobicContact CD2-CG 4.34Å; L80-F178 HydrophobicContact CG-CD2 4.09Å; L83-F178 HydrophobicContact CD1-CD1 3.88Å; L83-F178 HydrophobicContact CD1-CE1 3.76Å; I89-F178 HydrophobicContact CD1-CZ 4.39Å; I89-F178 HydrophobicContact CG1-CZ 4.32Å; I89-F178 HydrophobicContact CG2-CE2 3.97Å; I89-F178 HydrophobicContact CG2-CZ 3.73Å; V90-F178 HydrophobicContact CG1-CE2 4.25Å; L149-F178 HydrophobicContact CD1-CE1 3.93Å; L149-F178 HydrophobicContact CD2-CE1 4.5Å; L175-F178 HydrophobicContact CB-CZ 4.29Å; F178-L180 PolarHBondContact O-N 3.41Å; F178-S181 VanDerWaalsContact CA-OG 3.26Å; F178-S181 WeakPolarHBondContact CA-OG 3.37Å; F178-S181 WeakPolarHBondContact CB-OG 3.44Å; F178-S181 WeakPolarHBondContact CD1-OG 3.44Å; F178-S181 WeakPolarHBondContact O-CB 3.3Å; F178-S181 PolarHBondContact O-N 3.23Å; F178-S181 VanDerWaalsContact O-N 3.13Å; F178-S181 PolarHBondContact O-OG 2.85Å
179G92.1Very high92.5Very high16 Ų1639.7 Ų39.717%0.16522%0.218CC..THydrogen-bonded Turntrans-64.5-24.1-175.400000114.5K75 D177K75-G179 WeakPolarHBondContact CD-O 3.34Å; D177-G179 PolarHBondContact O-N 3.45Å
180L93.1Very high92.1Very high52 Ų5242 Ų4227%0.27223%0.226SC..THydrogen-bonded Turntrans-102.2-6.6174.4-61.6-171.5000113.4K75 A157 D158 F178K75-L180 PolarHBondContact NZ-O 3.01Å; A157-L180 HydrophobicContact CB-CB 4.44Å; D158-L180 HydrophobicContact CB-CB 4.2Å; D158-L180 HydrophobicContact CB-CD1 3.92Å; D158-L180 HydrophobicContact CB-CG 4.29Å; F178-L180 PolarHBondContact O-N 3.41Å
181S95.3Very high91.9Very high2 Ų244.1 Ų44.11%0.01423%0.229CC..  trans-69.6132.8-170.8-51.60000113.2K75 V155 H156 F178K75-S181 WeakPolarHBondContact CE-O 3.15Å; K75-S181 PolarHBondContact NZ-O 3.28Å; V155-S181 CarbonylContact O-C 3.6Å; V155-S181 WeakPolarHBondContact O-CA 3.44Å; V155-S181 VanDerWaalsContact O-CB 3.23Å; V155-S181 WeakPolarHBondContact O-CB 3.45Å; H156-S181 WeakPolarHBondContact CA-OG 3.38Å; H156-S181 WeakPolarHBondContact O-CA 3.48Å; H156-S181 PolarHBondContact O-N 3.48Å; H156-S181 PolarHBondContact O-OG 3Å; F178-S181 VanDerWaalsContact CA-OG 3.26Å; F178-S181 WeakPolarHBondContact CA-OG 3.37Å; F178-S181 WeakPolarHBondContact CB-OG 3.44Å; F178-S181 WeakPolarHBondContact CD1-OG 3.44Å; F178-S181 WeakPolarHBondContact O-CB 3.3Å; F178-S181 PolarHBondContact O-N 3.23Å; F178-S181 VanDerWaalsContact O-N 3.13Å; F178-S181 PolarHBondContact O-OG 2.85Å
182F94.4Very high91.7Very high4 Ų442.7 Ų42.72%0.01822%0.223CC..EExtended strand (participates in β ladder)trans-130.1162.6-175.360.9-90.1000110.8Y154 V155 A157 Q187 V189 I192 C219Y154-F182 CarbonylContact C-O 3.54Å; Y154-F182 WeakPolarHBondContact CA-O 3.29Å; V155-F182 HydrophobicContact CB-CD1 4.31Å; V155-F182 HydrophobicContact CB-CD2 4.36Å; V155-F182 HydrophobicContact CB-CE1 3.88Å; V155-F182 HydrophobicContact CB-CE2 3.92Å; V155-F182 HydrophobicContact CB-CZ 3.66Å; V155-F182 HydrophobicContact CG1-CE1 3.94Å; V155-F182 HydrophobicContact CG1-CZ 3.8Å; V155-F182 HydrophobicContact CG2-CD2 4.36Å; V155-F182 HydrophobicContact CG2-CE2 3.74Å; V155-F182 HydrophobicContact CG2-CZ 3.85Å; V155-F182 PolarHBondContact N-O 3.42Å; V155-F182 PolarHBondContact O-N 3.29Å; V155-F182 VanDerWaalsContact O-N 3.09Å; A157-F182 HydrophobicContact CB-CD1 3.92Å; A157-F182 HydrophobicContact CB-CE1 3.58Å; F182-Q187 HydrophobicContact CD1-CG 4.05Å; F182-Q187 HydrophobicContact CD2-CB 3.83Å; F182-Q187 HydrophobicContact CD2-CG 3.7Å; F182-Q187 HydrophobicContact CE1-CG 4.03Å; F182-Q187 HydrophobicContact CE2-CB 3.94Å; F182-Q187 HydrophobicContact CE2-CG 3.71Å; F182-Q187 HydrophobicContact CG-CB 4.39Å; F182-Q187 HydrophobicContact CG-CG 3.88Å; F182-Q187 HydrophobicContact CZ-CG 3.88Å; F182-V189 HydrophobicContact CD1-CG2 3.97Å; F182-I192 HydrophobicContact CE1-CD1 4.36Å; F182-I192 HydrophobicContact CE1-CG2 4.21Å; F182-C219 WeakPolarHBondContact CE2-O 3.31Å; F182-C219 HydrophobicContact CZ-CB 4.29Å; F182-C219 WeakPolarHBondContact CZ-O 3.42Å
183K93.6Very high91.6Very high93 Ų9343 Ų4340%0.40422%0.224SC..EExtended strand (participates in β ladder)trans-82.9131.9170.3-77.8-161.6170.9-163.50109.8G153 Y154 G185 N186G153-K183 CarbonylContact O-C 3.59Å; G153-K183 VanDerWaalsContact O-CA 3.24Å; G153-K183 WeakPolarHBondContact O-CA 3.33Å; Y154-K183 HydrophobicContact CD1-CG 4.21Å; Y154-K183 HydrophobicContact CD2-CG 4.27Å; Y154-K183 HydrophobicContact CE1-CG 3.94Å; Y154-K183 HydrophobicContact CE2-CD 4.27Å; Y154-K183 HydrophobicContact CE2-CG 3.98Å; Y154-K183 HydrophobicContact CG-CG 4.38Å; Y154-K183 VanDerWaalsContact CZ-CE 3.44Å; Y154-K183 WeakPolarHBondContact OH-CE 3.36Å; K183-G185 PolarHBondContact O-N 3.13Å; K183-N186 CarbonylContact O-C 3.56Å; K183-N186 VanDerWaalsContact O-C 3.3Å; K183-N186 WeakPolarHBondContact O-CA 3.21Å; K183-N186 PolarHBondContact O-N 2.92Å
184E90.3Very high91.4Very high86 Ų8645.1 Ų45.140%0.40224%0.237SC..THydrogen-bonded Turntrans-57.1135176.4-170.6165.2-168.100110.6G153 V155 N186 T220G153-E184 PolarHBondContact O-N 2.7Å; V155-E184 HydrophobicContact CG2-CB 4.36Å; E184-N186 VanDerWaalsContact C-N 3.27Å; E184-N186 PolarHBondContact O-N 2.92Å; E184-T220 WeakPolarHBondContact OE1-CA 3.37Å; E184-T220 WeakPolarHBondContact OE1-CB 3.15Å; E184-T220 WeakPolarHBondContact OE1-CG2 3.32Å
185G86.9Confident91.2Very high60 Ų6046.9 Ų46.962%0.61925%0.247SC*.THydrogen-bonded Turntrans79.22.2-171.600000115K183 E218K183-G185 PolarHBondContact O-N 3.13Å; G185-E218 WeakPolarHBondContact CA-OE2 3.3Å; G185-E218 PolarHBondContact N-OE2 3.19Å
186N87.6Confident91.1Very high109 Ų10947 Ų4758%0.58325%0.249SC*.BIsolated β-bridgetrans-142.858.6174.1-173.321.6000110.2K183 E184 D188 E218K183-N186 CarbonylContact O-C 3.56Å; K183-N186 VanDerWaalsContact O-C 3.3Å; K183-N186 WeakPolarHBondContact O-CA 3.21Å; K183-N186 PolarHBondContact O-N 2.92Å; E184-N186 VanDerWaalsContact C-N 3.27Å; E184-N186 PolarHBondContact O-N 2.92Å; N186-D188 PolarHBondContact O-N 3.06Å; N186-D188 VanDerWaalsContact O-N 3.1Å; N186-E218 PolarHBondContact N-OE2 2.94Å
187Q86.3Confident91.1Very high29 Ų2946.3 Ų46.314%0.13624%0.244CC..  trans-77.598.6-178.1-165.9-174.5-53.900111.8F182 V189 E218F182-Q187 HydrophobicContact CD1-CG 4.05Å; F182-Q187 HydrophobicContact CD2-CB 3.83Å; F182-Q187 HydrophobicContact CD2-CG 3.7Å; F182-Q187 HydrophobicContact CE1-CG 4.03Å; F182-Q187 HydrophobicContact CE2-CB 3.94Å; F182-Q187 HydrophobicContact CE2-CG 3.71Å; F182-Q187 HydrophobicContact CG-CB 4.39Å; F182-Q187 HydrophobicContact CG-CG 3.88Å; F182-Q187 HydrophobicContact CZ-CG 3.88Å; Q187-V189 HydrophobicContact CG-CG2 4.42Å; Q187-V189 PolarHBondContact NE2-O 3.45Å; Q187-E218 HydrophobicContact CB-CB 4.35Å; Q187-E218 HydrophobicContact CB-CG 4.17Å; Q187-E218 PolarHBondContact N-OE1 2.93Å; Q187-E218 PolarHBondContact N-OE2 3.5Å
188D82Confident91.2Very high76 Ų7646.7 Ų46.741%0.40624%0.242SC..  trans-84.5-6.6-177.865.24.3000114.5Y71 K75 N186Y71-D188 WeakPolarHBondContact OH-CB 3.23Å; Y71-D188 PolarHBondContact OH-O 3.37Å; Y71-D188 PolarHBondContact OH-OD1 3.27Å; Y71-D188 PolarHBondContact OH-OD2 2.88Å; K75-D188 IonicContact NZ-OD1 3.07Å; K75-D188 PolarHBondContact NZ-OD1 2.94Å; K75-D188 IonicContact NZ-OD2 3.9Å; N186-D188 PolarHBondContact O-N 3.06Å; N186-D188 VanDerWaalsContact O-N 3.1Å
189V81.1Confident91.3Very high17 Ų1746.8 Ų46.810%0.10324%0.242CC..  trans-114.8132-178.8-78.30000111.9Y71 K75 F182 Q187 I192Y71-V189 HydrophobicContact CE1-CG1 4.26Å; K75-V189 VanDerWaalsContact NZ-CG2 3.34Å; F182-V189 HydrophobicContact CD1-CG2 3.97Å; Q187-V189 HydrophobicContact CG-CG2 4.42Å; Q187-V189 PolarHBondContact NE2-O 3.45Å; V189-I192 HydrophobicContact CB-CG2 4.28Å; V189-I192 HydrophobicContact CG2-CG2 3.56Å
190K80.4Confident91.4Very high134 Ų13448.2 Ų48.258%0.58325%0.249SC*.SBendtrans-84.3-40179.9-63.8-173.5179.5-175.30113.2Q205 N206 A209K190-Q205 PolarHBondContact O-NE2 3.05Å; K190-N206 PolarHBondContact O-OD1 2.88Å; K190-A209 HydrophobicContact CB-CB 4.06Å; K190-A209 HydrophobicContact CD-CB 4.38Å
191Y89.4Confident91.5Very high129 Ų12947.6 Ų47.651%0.50624%0.244SC..SBendtrans-101.3108-179.5-63.1-71.7000109.5N206 A209Y191-N206 WeakPolarHBondContact CA-OD1 3.41Å; Y191-N206 HydrophobicContact CD1-CB 4.13Å; Y191-A209 HydrophobicContact CE1-CB 4.43Å
192I92.6Very high91.5Very high1 Ų147.5 Ų47.51%0.00524%0.244CC..  trans-118.3157.2178.165.7171000111.2A157 F182 V189 R198 A202 N206 C219A157-I192 HydrophobicContact CB-CB 4.19Å; A157-I192 HydrophobicContact CB-CG2 4.3Å; F182-I192 HydrophobicContact CE1-CD1 4.36Å; F182-I192 HydrophobicContact CE1-CG2 4.21Å; V189-I192 HydrophobicContact CB-CG2 4.28Å; V189-I192 HydrophobicContact CG2-CG2 3.56Å; I192-R198 PolarHBondContact O-NE 2.96Å; I192-R198 VanDerWaalsContact O-NE 3.13Å; I192-A202 HydrophobicContact CD1-CB 3.89Å; I192-A202 HydrophobicContact CG1-CB 3.88Å; I192-N206 PolarHBondContact N-OD1 3.49Å; I192-N206 PolarHBondContact O-ND2 3.07Å; I192-C219 HydrophobicContact CD1-CB 3.56Å; I192-C219 VanDerWaalsContact CD1-SG 3.6Å
193Q95.4Very high91.5Very high6 Ų650.7 Ų50.73%0.02826%0.259CS..SBendtrans59.5142.1-179.6-57.8178.1-60.500115.3A157 R198 V223 S227A157-Q193 WeakPolarHBondContact O-CA 3.47Å; A157-Q193 WeakPolarHBondContact O-CG 3.43Å; A157-Q193 PolarHBondContact O-N 3.22Å; Q193-R198 HydrophobicContact CB-CB 3.97Å; Q193-R198 HydrophobicContact CB-CG 3.95Å; Q193-R198 PolarHBondContact O-NE 2.98Å; Q193-R198 PolarHBondContact O-NH2 2.7Å; Q193-V223 PolarHBondContact NE2-O 3.13Å; Q193-S227 PolarHBondContact NE2-OG 3.49Å
194T94.4Very high91.4Very high45 Ų4551.1 Ų51.128%0.27627%0.265SS..  trans-71.7140173.3-65.90000111.1D158 K160 G196 Y197 R198D158-T194 PolarHBondContact OD1-N 2.8Å; D158-T194 PolarHBondContact OD1-OG1 2.83Å; K160-T194 HydrophobicContact CD-CG2 4.2Å; K160-T194 PolarHBondContact NZ-OG1 3.03Å; T194-G196 PolarHBondContact O-N 2.78Å; T194-Y197 HydrophobicContact CG2-CD2 4.35Å; T194-Y197 PolarHBondContact O-N 3.44Å; T194-R198 PolarHBondContact O-N 3.39Å
195D93.7Very high91.5Very high45 Ų4547.8 Ų47.824%0.24125%0.249CC..THydrogen-bonded Turntrans-56134.2176.1178.532.1000111.4K242 R246D195-K242 WeakPolarHBondContact OD2-CE 3.48Å; D195-K242 IonicContact OD2-NZ 3.73Å; D195-K242 PolarHBondContact OD2-NZ 3.18Å; D195-R246 VanDerWaalsContact CG-NH1 3.32Å; D195-R246 IonicContact OD1-CZ 3.67Å; D195-R246 IonicContact OD1-NH1 2.7Å; D195-R246 PolarHBondContact OD1-NH1 2.99Å; D195-R246 IonicContact OD2-NH1 2.7Å; D195-R246 PolarHBondContact OD2-NH1 3.38Å; D195-R246 VanDerWaalsContact OD2-NH1 3.07Å
196G95.9Very high91.7Very high4 Ų445.4 Ų45.44%0.04122%0.222CC..THydrogen-bonded Turntrans93.7-19.4-171.600000115T194T194-G196 PolarHBondContact O-N 2.78Å
197Y98.1Very high91.9Very high22 Ų2243 Ų439%0.08621%0.214CC..SBendtrans-118.95.8176.1-54.3-77.6000112.5K160 P161 T194 S227 I230 I231 E234 K240K160-Y197 HydrophobicContact CB-CD2 3.8Å; K160-Y197 HydrophobicContact CB-CE2 3.91Å; K160-Y197 HydrophobicContact CB-CG 4.35Å; P161-Y197 VanDerWaalsContact CD-OH 3.26Å; P161-Y197 WeakPolarHBondContact CD-OH 3.37Å; P161-Y197 HydrophobicContact CG-CE1 3.97Å; P161-Y197 WeakPolarHBondContact CG-OH 2.99Å; T194-Y197 HydrophobicContact CG2-CD2 4.35Å; T194-Y197 PolarHBondContact O-N 3.44Å; Y197-S227 WeakPolarHBondContact O-CA 3.48Å; Y197-S227 WeakPolarHBondContact O-CB 3.17Å; Y197-S227 PolarHBondContact O-OG 3.09Å; Y197-I230 HydrophobicContact CD1-CB 4.15Å; Y197-I230 HydrophobicContact CD1-CG2 3.74Å; Y197-I230 HydrophobicContact CE1-CG2 4.01Å; Y197-I231 HydrophobicContact CD1-CG1 3.82Å; Y197-I231 HydrophobicContact CE1-CG1 3.9Å; Y197-E234 PolarHBondContact OH-OE1 2.86Å; Y197-E234 PolarHBondContact OH-OE2 2.94Å; Y197-K240 PolarHBondContact OH-NZ 2.98Å
198R97.1Very high92.1Very high51 Ų5143.8 Ų43.819%0.19222%0.219CC..  trans-81.6136-172.9-172.9174.4-51.81201.6112I192 Q193 T194 A202 E203 N206 W226I192-R198 PolarHBondContact O-NE 2.96Å; I192-R198 VanDerWaalsContact O-NE 3.13Å; Q193-R198 HydrophobicContact CB-CB 3.97Å; Q193-R198 HydrophobicContact CB-CG 3.95Å; Q193-R198 PolarHBondContact O-NE 2.98Å; Q193-R198 PolarHBondContact O-NH2 2.7Å; T194-R198 PolarHBondContact O-N 3.39Å; R198-A202 HydrophobicContact CG-CB 3.66Å; R198-E203 VanDerWaalsContact CD-OE2 3.29Å; R198-E203 WeakPolarHBondContact CD-OE2 3.46Å; R198-E203 HydrophobicContact CG-CB 4.33Å; R198-E203 IonicContact CZ-OE2 3.62Å; R198-E203 IonicContact NE-OE2 2.68Å; R198-E203 IonicContact NH1-OE2 2.72Å; R198-E203 PolarHBondContact NH1-OE2 3.25Å; R198-N206 WeakPolarHBondContact CD-ND2 3.47Å; R198-N206 PolarHBondContact NE-ND2 2.67Å; R198-W226 VanDerWaalsContact C-CD1 3.5Å; R198-W226 PolarHBondContact O-NE1 2.7Å
199A97.1Very high92.4Very high1 Ų141 Ų411%0.00821%0.206CC..  trans-72.8154.7176.100000112E201 A202 E203 V223 W226A199-E201 VanDerWaalsContact C-N 3.31Å; A199-E201 HydrophobicContact CB-CG 4.5Å; A199-E201 WeakPolarHBondContact CB-OE2 3.35Å; A199-E201 PolarHBondContact O-N 2.8Å; A199-A202 HydrophobicContact CB-CB 4.34Å; A199-A202 PolarHBondContact O-N 2.96Å; A199-A202 VanDerWaalsContact O-N 3.16Å; A199-E203 PolarHBondContact O-N 3.35Å; A199-V223 HydrophobicContact CB-CB 4.16Å; A199-V223 HydrophobicContact CB-CG1 4.1Å; A199-W226 VanDerWaalsContact CA-CD1 3.43Å; A199-W226 HydrophobicContact CB-CB 3.75Å; A199-W226 HydrophobicContact CB-CD2 4.21Å; A199-W226 HydrophobicContact CB-CG 3.68Å
200P95.3Very high92.7Very high47 Ų4747.5 Ų47.531%0.30524%0.235SC..Hα-helixtrans-55.7-42.4179.6-26.335.2000113.7E203 L204 W226P200-E203 PolarHBondContact O-N 3.12Å; P200-L204 PolarHBondContact O-N 3.46Å; P200-W226 HydrophobicContact CG-CE3 4.29Å; P200-W226 HydrophobicContact CG-CH2 3.55Å; P200-W226 HydrophobicContact CG-CZ2 3.99Å; P200-W226 HydrophobicContact CG-CZ3 3.72Å
201E94.8Very high93.2Very high38 Ų3844.4 Ų44.418%0.17824%0.235CC..Hα-helixtrans-67.7-35.9178.665.3-83-163.700112.7A199 L204 Q205 V223 P289 R292A199-E201 VanDerWaalsContact C-N 3.31Å; A199-E201 HydrophobicContact CB-CG 4.5Å; A199-E201 WeakPolarHBondContact CB-OE2 3.35Å; A199-E201 PolarHBondContact O-N 2.8Å; E201-L204 PolarHBondContact O-N 3.04Å; E201-Q205 WeakPolarHBondContact O-CB 3.29Å; E201-Q205 PolarHBondContact O-N 3.18Å; E201-V223 HydrophobicContact CG-CG1 4.01Å; E201-V223 WeakPolarHBondContact OE1-CG1 3.38Å; E201-P289 HydrophobicContact CG-CG 4.48Å; E201-R292 IonicContact OE1-CZ 3.83Å; E201-R292 IonicContact OE1-NH1 3.41Å; E201-R292 PolarHBondContact OE1-NH1 3.47Å; E201-R292 IonicContact OE1-NH2 3.53Å; E201-R292 PolarHBondContact OE1-NH2 2.85Å; E201-R292 IonicContact OE2-CZ 2.8Å; E201-R292 IonicContact OE2-NH1 3.23Å; E201-R292 IonicContact OE2-NH2 3.52Å; E201-R292 PolarHBondContact OE2-NH2 3.32Å
202A94.9Very high93.1Very high0 Ų041.6 Ų41.60%025%0.245CC..Hα-helixtrans-72.2-35.6174.600000111.9I192 R198 A199 Q205 N206 V223I192-A202 HydrophobicContact CD1-CB 3.89Å; I192-A202 HydrophobicContact CG1-CB 3.88Å; R198-A202 HydrophobicContact CG-CB 3.66Å; A199-A202 HydrophobicContact CB-CB 4.34Å; A199-A202 PolarHBondContact O-N 2.96Å; A199-A202 VanDerWaalsContact O-N 3.16Å; A202-Q205 PolarHBondContact O-N 3.11Å; A202-N206 WeakPolarHBondContact O-CB 3.32Å; A202-N206 PolarHBondContact O-N 3.17Å; A202-N206 PolarHBondContact O-OD1 3.26Å; A202-V223 HydrophobicContact CB-CG1 4.35Å
203E93.9Very high92.7Very high71 Ų7146.5 Ų46.533%0.33227%0.271SS..Hα-helixtrans-63.2-45.8172.8-178.966.8-167.100110.6R198 A199 P200 Q205 N206 C207R198-E203 VanDerWaalsContact CD-OE2 3.29Å; R198-E203 WeakPolarHBondContact CD-OE2 3.46Å; R198-E203 HydrophobicContact CG-CB 4.33Å; R198-E203 IonicContact CZ-OE2 3.62Å; R198-E203 IonicContact NE-OE2 2.68Å; R198-E203 IonicContact NH1-OE2 2.72Å; R198-E203 PolarHBondContact NH1-OE2 3.25Å; A199-E203 PolarHBondContact O-N 3.35Å; P200-E203 PolarHBondContact O-N 3.12Å; E203-Q205 PolarHBondContact O-N 3.41Å; E203-N206 PolarHBondContact O-N 3.48Å; E203-C207 WeakPolarHBondContact O-CB 3.45Å; E203-C207 PolarHBondContact O-N 3.05Å; E203-C207 PolarHBondContact O-SG 3.18Å
204L92Very high91.9Very high103 Ų10354.3 Ų54.354%0.53931%0.308SS..Hα-helixtrans-57.4-49.8174.7177.161000111.3P200 E201 N206 C207 L208P200-L204 PolarHBondContact O-N 3.46Å; E201-L204 PolarHBondContact O-N 3.04Å; L204-N206 PolarHBondContact O-N 2.85Å; L204-C207 WeakPolarHBondContact O-CB 3.38Å; L204-C207 PolarHBondContact O-N 3.49Å; L204-L208 HydrophobicContact CD1-CD1 4.24Å; L204-L208 HydrophobicContact CD1-CG 4.25Å; L204-L208 HydrophobicContact CG-CD1 4.17Å; L204-L208 WeakPolarHBondContact O-CG 3.36Å; L204-L208 PolarHBondContact O-N 3.21Å
205Q91.8Very high91.1Very high15 Ų1554.3 Ų54.37%0.0731%0.309CS..Hα-helixtrans-58.8-46.9178-174-166.2-86.700112.2K190 E201 A202 E203 C207 L208 A209K190-Q205 PolarHBondContact O-NE2 3.05Å; E201-Q205 WeakPolarHBondContact O-CB 3.29Å; E201-Q205 PolarHBondContact O-N 3.18Å; A202-Q205 PolarHBondContact O-N 3.11Å; E203-Q205 PolarHBondContact O-N 3.41Å; Q205-C207 VanDerWaalsContact C-N 3.29Å; Q205-C207 PolarHBondContact O-N 3.23Å; Q205-L208 PolarHBondContact O-N 3.45Å; Q205-A209 WeakPolarHBondContact O-CB 3.24Å; Q205-A209 PolarHBondContact O-N 3.41Å
206N92.6Very high90.2Very high10 Ų1060.2 Ų60.25%0.05334%0.341CS..Hα-helixtrans-61.9-38.4179.2-72.9-0.3000111.5K190 Y191 I192 R198 A202 E203 L204 Q210K190-N206 PolarHBondContact O-OD1 2.88Å; Y191-N206 WeakPolarHBondContact CA-OD1 3.41Å; Y191-N206 HydrophobicContact CD1-CB 4.13Å; I192-N206 PolarHBondContact N-OD1 3.49Å; I192-N206 PolarHBondContact O-ND2 3.07Å; R198-N206 WeakPolarHBondContact CD-ND2 3.47Å; R198-N206 PolarHBondContact NE-ND2 2.67Å; A202-N206 WeakPolarHBondContact O-CB 3.32Å; A202-N206 PolarHBondContact O-N 3.17Å; A202-N206 PolarHBondContact O-OD1 3.26Å; E203-N206 PolarHBondContact O-N 3.48Å; L204-N206 PolarHBondContact O-N 2.85Å; N206-Q210 WeakPolarHBondContact O-CB 3.4Å; N206-Q210 PolarHBondContact O-N 2.98Å
207C91.3Very high89.2Confident59 Ų5965 Ų6540%0.39937%0.37SS..Hα-helixtrans-65.9-45.6175.7-70.40000112E203 L204 Q205 Q210 A211E203-C207 WeakPolarHBondContact O-CB 3.45Å; E203-C207 PolarHBondContact O-N 3.05Å; E203-C207 PolarHBondContact O-SG 3.18Å; L204-C207 WeakPolarHBondContact O-CB 3.38Å; L204-C207 PolarHBondContact O-N 3.49Å; Q205-C207 VanDerWaalsContact C-N 3.29Å; Q205-C207 PolarHBondContact O-N 3.23Å; C207-Q210 PolarHBondContact O-N 3.07Å; C207-A211 PolarHBondContact O-N 3.18Å
208L90.4Very high88.5Confident46 Ų4668.1 Ų68.124%0.24139%0.385CS..Hα-helixtrans-61.1-46176.2-70.3174.3000111.2L204 Q205 Q210 A211 G212 L213L204-L208 HydrophobicContact CD1-CD1 4.24Å; L204-L208 HydrophobicContact CD1-CG 4.25Å; L204-L208 HydrophobicContact CG-CD1 4.17Å; L204-L208 WeakPolarHBondContact O-CG 3.36Å; L204-L208 PolarHBondContact O-N 3.21Å; Q205-L208 PolarHBondContact O-N 3.45Å; L208-Q210 VanDerWaalsContact C-N 3.29Å; L208-Q210 PolarHBondContact O-N 3.27Å; L208-A211 CarbonylContact O-C 3.46Å; L208-A211 WeakPolarHBondContact O-CA 3.44Å; L208-A211 WeakPolarHBondContact O-CB 3.05Å; L208-A211 PolarHBondContact O-N 3.49Å; L208-G212 PolarHBondContact O-N 3.28Å; L208-G212 VanDerWaalsContact O-N 3.14Å; L208-L213 CarbonylContact C-O 3.5Å; L208-L213 HydrophobicContact CB-CB 4.24Å; L208-L213 HydrophobicContact CD2-CB 4.18Å; L208-L213 HydrophobicContact CD2-CD1 3.98Å; L208-L213 PolarHBondContact O-N 3.33Å
209A88.1Confident88.3Confident18 Ų1866 Ų6615%0.14938%0.377CS..Hα-helixtrans-59.7-39.8176.900000112.2K190 Y191 Q205 A211 G212K190-A209 HydrophobicContact CB-CB 4.06Å; K190-A209 HydrophobicContact CD-CB 4.38Å; Y191-A209 HydrophobicContact CE1-CB 4.43Å; Q205-A209 WeakPolarHBondContact O-CB 3.24Å; Q205-A209 PolarHBondContact O-N 3.41Å; A209-A211 VanDerWaalsContact C-N 3.31Å; A209-A211 PolarHBondContact O-N 2.97Å; A209-G212 PolarHBondContact O-N 3.41Å; A209-G212 VanDerWaalsContact O-N 3.11Å
210Q88.3Confident88.2Confident152 Ų15268.2 Ų68.271%0.7139%0.391SS*.Hα-helixtrans-66.2-32.3174.7-173.8175.7-2.500112.7N206 C207 L208 G212N206-Q210 WeakPolarHBondContact O-CB 3.4Å; N206-Q210 PolarHBondContact O-N 2.98Å; C207-Q210 PolarHBondContact O-N 3.07Å; L208-Q210 VanDerWaalsContact C-N 3.29Å; L208-Q210 PolarHBondContact O-N 3.27Å; Q210-G212 PolarHBondContact O-N 3.19Å
211A89.8Confident88.3Confident70 Ų7067.4 Ų67.458%0.57939%0.386SS*.THydrogen-bonded Turntrans-790.417300000113.6C207 L208 A209 L213C207-A211 PolarHBondContact O-N 3.18Å; L208-A211 CarbonylContact O-C 3.46Å; L208-A211 WeakPolarHBondContact O-CA 3.44Å; L208-A211 WeakPolarHBondContact O-CB 3.05Å; L208-A211 PolarHBondContact O-N 3.49Å; A209-A211 VanDerWaalsContact C-N 3.31Å; A209-A211 PolarHBondContact O-N 2.97Å; A211-L213 VanDerWaalsContact C-N 3.27Å; A211-L213 HydrophobicContact CB-CD1 4.37Å; A211-L213 HydrophobicContact CB-CG 4.35Å; A211-L213 PolarHBondContact O-N 3.3Å
212G87.9Confident88.4Confident70 Ų7066.1 Ų66.172%0.72238%0.382SS*.THydrogen-bonded Turntrans76.212.9-176.800000114.3L208 A209 Q210L208-G212 PolarHBondContact O-N 3.28Å; L208-G212 VanDerWaalsContact O-N 3.14Å; A209-G212 PolarHBondContact O-N 3.41Å; A209-G212 VanDerWaalsContact O-N 3.11Å; Q210-G212 PolarHBondContact O-N 3.19Å
213L85.1Confident88.6Confident104 Ų10466.1 Ų66.155%0.54538%0.382SS..PPolyproline II helixtrans-96.1154.5177.9-60.1175.6000110.7L208 A211L208-L213 CarbonylContact C-O 3.5Å; L208-L213 HydrophobicContact CB-CB 4.24Å; L208-L213 HydrophobicContact CD2-CB 4.18Å; L208-L213 HydrophobicContact CD2-CD1 3.98Å; L208-L213 PolarHBondContact O-N 3.33Å; A211-L213 VanDerWaalsContact C-N 3.27Å; A211-L213 HydrophobicContact CB-CD1 4.37Å; A211-L213 HydrophobicContact CB-CG 4.35Å; A211-L213 PolarHBondContact O-N 3.3Å
214Q77.2Confident88.8Confident170 Ų17062.7 Ų62.779%0.79437%0.367SS*.PPolyproline II helixtrans-99.8139.1172.4-66.3-173.7-4.300109.3
215S77.4Confident89.2Confident45 Ų4557.9 Ų57.932%0.31534%0.341SS..PPolyproline II helixtrans-78.8135.5167.5-179.30000108.3T217S215-T217 PolarHBondContact O-N 3.07Å; S215-T217 PolarHBondContact OG-N 2.86Å; S215-T217 PolarHBondContact OG-O 3.37Å
216D74.6Confident89.5Confident169 Ų16957.5 Ų57.590%0.90434%0.339SS*.SBendtrans-75.8-6.3173.1-64.4-34.7000112.3
217T76.2Confident89.8Confident105 Ų10557 Ų5764%0.64434%0.337SS*.SBendtrans-129124.8-177.6-47.70000110S215S215-T217 PolarHBondContact O-N 3.07Å; S215-T217 PolarHBondContact OG-N 2.86Å; S215-T217 PolarHBondContact OG-O 3.37Å
218E83.4Confident90.2Very high87 Ų8754.2 Ų54.241%0.40732%0.318SS..  trans-77.8153.8173.4-63.2-170.5165.500111G185 N186 Q187G185-E218 WeakPolarHBondContact CA-OE2 3.3Å; G185-E218 PolarHBondContact N-OE2 3.19Å; N186-E218 PolarHBondContact N-OE2 2.94Å; Q187-E218 HydrophobicContact CB-CB 4.35Å; Q187-E218 HydrophobicContact CB-CG 4.17Å; Q187-E218 PolarHBondContact N-OE1 2.93Å; Q187-E218 PolarHBondContact N-OE2 3.5Å
219C92.2Very high90.6Very high5 Ų552 Ų523%0.03431%0.306CS..  trans-75.1136.6173.7-74.20000110.8F182 I192 V223F182-C219 WeakPolarHBondContact CE2-O 3.31Å; F182-C219 HydrophobicContact CZ-CB 4.29Å; F182-C219 WeakPolarHBondContact CZ-O 3.42Å; I192-C219 HydrophobicContact CD1-CB 3.56Å; I192-C219 VanDerWaalsContact CD1-SG 3.6Å; C219-V223 HydrophobicContact CB-CG1 3.7Å
220T94.8Very high91.1Very high49 Ų4951.2 Ų51.230%0.30130%0.299SS..  trans-94.9176.6177.866.20000111E184 A222 V223E184-T220 WeakPolarHBondContact OE1-CA 3.37Å; E184-T220 WeakPolarHBondContact OE1-CB 3.15Å; E184-T220 WeakPolarHBondContact OE1-CG2 3.32Å; T220-A222 PolarHBondContact O-N 3Å; T220-A222 VanDerWaalsContact OG1-CB 3.31Å; T220-A222 WeakPolarHBondContact OG1-CB 3.44Å; T220-A222 PolarHBondContact OG1-N 3.08Å; T220-V223 WeakPolarHBondContact O-CG2 3.37Å; T220-V223 PolarHBondContact O-N 3.48Å
221S97.3Very high91.6Very high29 Ų2944 Ų4420%0.20327%0.265CS..THydrogen-bonded Turntrans-51.3-22.7170.353.30000114.5H150 V223 D224H150-S221 PolarHBondContact CE1-O 2.78Å; S221-V223 PolarHBondContact O-N 3.39Å; S221-V223 VanDerWaalsContact O-N 3.09Å; S221-D224 WeakPolarHBondContact O-CB 3.4Å; S221-D224 PolarHBondContact O-N 3.43Å
222A98.2Very high92Very high11 Ų1140.6 Ų40.69%0.09124%0.238CC..Hα-helixtrans-55.8-27.6177.100000113.4T220 D224 L225 W226 P289 R292T220-A222 PolarHBondContact O-N 3Å; T220-A222 VanDerWaalsContact OG1-CB 3.31Å; T220-A222 WeakPolarHBondContact OG1-CB 3.44Å; T220-A222 PolarHBondContact OG1-N 3.08Å; A222-D224 VanDerWaalsContact C-N 3.26Å; A222-D224 PolarHBondContact O-N 3Å; A222-L225 PolarHBondContact O-N 3.12Å; A222-W226 PolarHBondContact O-N 2.89Å; A222-P289 HydrophobicContact CB-CB 3.89Å; A222-R292 VanDerWaalsContact O-CD 3.23Å; A222-R292 WeakPolarHBondContact O-CD 3.41Å; A222-R292 PolarHBondContact O-NH1 3.13Å
223V98.3Very high92.5Very high0 Ų037.3 Ų37.30%020%0.203CC..Hα-helixtrans-62.7-33.9178.7-58.50000112.1V155 Q193 A199 E201 A202 C219 T220 S221 L225 W226 S227V155-V223 HydrophobicContact CG1-CG2 3.6Å; Q193-V223 PolarHBondContact NE2-O 3.13Å; A199-V223 HydrophobicContact CB-CB 4.16Å; A199-V223 HydrophobicContact CB-CG1 4.1Å; E201-V223 HydrophobicContact CG-CG1 4.01Å; E201-V223 WeakPolarHBondContact OE1-CG1 3.38Å; A202-V223 HydrophobicContact CB-CG1 4.35Å; C219-V223 HydrophobicContact CB-CG1 3.7Å; T220-V223 WeakPolarHBondContact O-CG2 3.37Å; T220-V223 PolarHBondContact O-N 3.48Å; S221-V223 PolarHBondContact O-N 3.39Å; S221-V223 VanDerWaalsContact O-N 3.09Å; V223-L225 VanDerWaalsContact C-N 3.33Å; V223-L225 PolarHBondContact O-N 3.24Å; V223-W226 WeakPolarHBondContact O-CB 3.35Å; V223-W226 PolarHBondContact O-N 3.05Å; V223-S227 PolarHBondContact O-N 3.12Å; V223-S227 VanDerWaalsContact O-N 3.15Å; V223-S227 PolarHBondContact O-OG 3.23Å
224D98.8Very high93.1Very high0 Ų032.4 Ų32.40%018%0.178CC..Hα-helixtrans-67.6-37.3179-69.1-27.1000111.2L146 H150 H156 A157 L159 S221 A222 W226 S227 L228L146-D224 HydrophobicContact CD1-CB 4.19Å; L146-D224 HydrophobicContact CD2-CB 3.87Å; H150-D224 IonicContact CD2-OD2 3.7Å; H150-D224 IonicContact CE1-OD2 3.89Å; H150-D224 IonicContact NE2-OD2 2.74Å; H150-D224 PolarHBondContact NE2-OD2 3.21Å; H156-D224 PolarHBondContact N-OD1 3.06Å; H156-D224 PolarHBondContact N-OD2 2.84Å; A157-D224 PolarHBondContact N-OD1 3.12Å; L159-D224 HydrophobicContact CD1-CB 4.02Å; L159-D224 WeakPolarHBondContact CD1-O 3.41Å; S221-D224 WeakPolarHBondContact O-CB 3.4Å; S221-D224 PolarHBondContact O-N 3.43Å; A222-D224 VanDerWaalsContact C-N 3.26Å; A222-D224 PolarHBondContact O-N 3Å; D224-W226 VanDerWaalsContact C-N 3.32Å; D224-W226 PolarHBondContact O-N 2.89Å; D224-S227 PolarHBondContact O-N 3.48Å; D224-L228 PolarHBondContact O-N 3.49Å
225L98.8Very high94.1Very high2 Ų224.3 Ų24.31%0.0114%0.14CC..Hα-helixtrans-66.6-37.2178.3-77-62.8000110.9L143 L146 H150 A222 V223 L228 G229 M284 R292 I293 A295L143-L225 HydrophobicContact CD2-CD1 3.77Å; L146-L225 HydrophobicContact CD1-CD2 4.49Å; H150-L225 VanDerWaalsContact CE1-CD2 3.42Å; H150-L225 WeakPolarHBondContact CE1-CD2 3.46Å; A222-L225 PolarHBondContact O-N 3.12Å; V223-L225 VanDerWaalsContact C-N 3.33Å; V223-L225 PolarHBondContact O-N 3.24Å; L225-L228 PolarHBondContact O-N 2.86Å; L225-G229 PolarHBondContact O-N 3.3Å; L225-M284 WeakPolarHBondContact O-CB 3.45Å; L225-R292 HydrophobicContact CB-CG 4.39Å; L225-I293 VanDerWaalsContact CG-O 3.31Å; L225-I293 WeakPolarHBondContact CG-O 3.46Å; L225-A295 HydrophobicContact CD1-CB 4.29Å; L225-A295 HydrophobicContact CD2-CB 4.49Å
226W98.8Very high95Very high7 Ų722.4 Ų22.43%0.02713%0.126CC..Hα-helixtrans-60.6-50.5171.6177.9-80.8000111.6R198 A199 P200 A222 V223 D224 L228 G229 I230 W250 L285R198-W226 VanDerWaalsContact C-CD1 3.5Å; R198-W226 PolarHBondContact O-NE1 2.7Å; A199-W226 VanDerWaalsContact CA-CD1 3.43Å; A199-W226 HydrophobicContact CB-CB 3.75Å; A199-W226 HydrophobicContact CB-CD2 4.21Å; A199-W226 HydrophobicContact CB-CG 3.68Å; P200-W226 HydrophobicContact CG-CE3 4.29Å; P200-W226 HydrophobicContact CG-CH2 3.55Å; P200-W226 HydrophobicContact CG-CZ2 3.99Å; P200-W226 HydrophobicContact CG-CZ3 3.72Å; A222-W226 PolarHBondContact O-N 2.89Å; V223-W226 WeakPolarHBondContact O-CB 3.35Å; V223-W226 PolarHBondContact O-N 3.05Å; D224-W226 VanDerWaalsContact C-N 3.32Å; D224-W226 PolarHBondContact O-N 2.89Å; W226-L228 VanDerWaalsContact C-N 3.3Å; W226-L228 PolarHBondContact O-N 2.91Å; W226-G229 PolarHBondContact O-N 2.87Å; W226-G229 VanDerWaalsContact O-N 3.13Å; W226-I230 PolarHBondContact O-N 3.42Å; W226-W250 HydrophobicContact CH2-CZ2 4.48Å; W226-W250 AromaticContact CH2-NE1 3.81Å; W226-W250 HydrophobicContact CZ2-CZ2 4.39Å; W226-W250 AromaticContact CZ2-NE1 3.83Å; W226-L285 HydrophobicContact CD2-CD2 3.75Å; W226-L285 HydrophobicContact CE3-CB 4.45Å; W226-L285 HydrophobicContact CE3-CD2 3.95Å; W226-L285 HydrophobicContact CG-CD2 4.08Å; W226-L285 HydrophobicContact CZ3-CB 4.39Å; W226-L285 HydrophobicContact CZ3-CD2 4.44Å; W226-L285 WeakPolarHBondContact CZ3-O 3.17Å; W226-L285 WeakPolarHBondContact O-CD2 3.22Å
227S98.9Very high96Very high0 Ų014.5 Ų14.50%08%0.084CC..Hα-helixtrans-56.9-44.8178.3-66.40000111.7Q193 Y197 V223 D224 I230 I231Q193-S227 PolarHBondContact NE2-OG 3.49Å; Y197-S227 WeakPolarHBondContact O-CA 3.48Å; Y197-S227 WeakPolarHBondContact O-CB 3.17Å; Y197-S227 PolarHBondContact O-OG 3.09Å; V223-S227 PolarHBondContact O-N 3.12Å; V223-S227 VanDerWaalsContact O-N 3.15Å; V223-S227 PolarHBondContact O-OG 3.23Å; D224-S227 PolarHBondContact O-N 3.48Å; S227-I230 PolarHBondContact O-N 2.92Å; S227-I231 VanDerWaalsContact O-CG1 3.25Å; S227-I231 WeakPolarHBondContact O-CG1 2.86Å; S227-I231 PolarHBondContact O-N 3.31Å
228L98.9Very high96.8Very high0 Ų09.9 Ų9.90%06%0.057CC..Hα-helixtrans-62.3-43.5176.4-177.958.8000111.7V142 L143 L146 L159 D224 L225 W226 I230 I231 L232 M284V142-L228 HydrophobicContact CB-CD1 4.17Å; V142-L228 HydrophobicContact CB-CD2 4.46Å; V142-L228 HydrophobicContact CG1-CD1 3.75Å; V142-L228 HydrophobicContact CG1-CD2 3.95Å; V142-L228 HydrophobicContact CG1-CG 4.41Å; L143-L228 HydrophobicContact CD2-CD2 3.65Å; L143-L228 HydrophobicContact CG-CD2 3.78Å; L146-L228 HydrophobicContact CD1-CD2 4.1Å; L159-L228 HydrophobicContact CD1-CB 4.37Å; D224-L228 PolarHBondContact O-N 3.49Å; L225-L228 PolarHBondContact O-N 2.86Å; W226-L228 VanDerWaalsContact C-N 3.3Å; W226-L228 PolarHBondContact O-N 2.91Å; L228-I230 VanDerWaalsContact C-N 3.28Å; L228-I230 PolarHBondContact O-N 3.22Å; L228-I231 WeakPolarHBondContact O-CB 3.33Å; L228-I231 PolarHBondContact O-N 2.94Å; L228-L232 HydrophobicContact CD1-CD1 4.32Å; L228-L232 HydrophobicContact CD1-CD2 4.18Å; L228-L232 HydrophobicContact CD1-CG 3.96Å; L228-L232 HydrophobicContact CG-CD1 4.1Å; L228-L232 HydrophobicContact CG-CG 4.17Å; L228-L232 WeakPolarHBondContact O-CG 3.43Å; L228-L232 PolarHBondContact O-N 2.72Å; L228-M284 HydrophobicContact CD2-CE 4.08Å; L228-M284 HydrophobicContact CD2-SD 4.42Å; L228-M284 HydrophobicContact CG-SD 4.3Å
229G98.8Very high97.3Very high0 Ų09.8 Ų9.80%06%0.058CC..Hα-helixtrans-55.6-42.8175.900000112.5L225 W226 L233L225-G229 PolarHBondContact O-N 3.3Å; W226-G229 PolarHBondContact O-N 2.87Å; W226-G229 VanDerWaalsContact O-N 3.13Å; G229-L233 WeakPolarHBondContact O-CB 3.13Å; G229-L233 PolarHBondContact O-N 3.38Å
230I98.8Very high97.3Very high0 Ų015 Ų150%08%0.08CC..Hα-helixtrans-66-44.3174.3-60.2-54.6000111.2Y197 W226 S227 L228 L232 L233 E234 L241 V245 W250 L285Y197-I230 HydrophobicContact CD1-CB 4.15Å; Y197-I230 HydrophobicContact CD1-CG2 3.74Å; Y197-I230 HydrophobicContact CE1-CG2 4.01Å; W226-I230 PolarHBondContact O-N 3.42Å; S227-I230 PolarHBondContact O-N 2.92Å; L228-I230 VanDerWaalsContact C-N 3.28Å; L228-I230 PolarHBondContact O-N 3.22Å; I230-L232 PolarHBondContact O-N 3.16Å; I230-L233 PolarHBondContact O-N 2.96Å; I230-E234 HydrophobicContact CG2-CG 4.42Å; I230-E234 WeakPolarHBondContact O-CG 3.42Å; I230-E234 PolarHBondContact O-N 3.2Å; I230-L241 HydrophobicContact CG2-CB 4.43Å; I230-L241 HydrophobicContact CG2-CD1 4.5Å; I230-V245 HydrophobicContact CD1-CG1 3.63Å; I230-V245 HydrophobicContact CG1-CG1 4.45Å; I230-W250 HydrophobicContact CD1-CH2 4Å; I230-W250 HydrophobicContact CD1-CZ2 3.85Å; I230-L285 HydrophobicContact CD1-CD1 3.82Å; I230-L285 HydrophobicContact CD1-CD2 3.53Å; I230-L285 HydrophobicContact CD1-CG 4.36Å; I230-L285 HydrophobicContact CG1-CD2 3.84Å
231I98.8Very high97.4Very high0 Ų012.8 Ų12.80%07%0.066CC..Hα-helixtrans-59.4-46.7178.7-67.3164.6000110.9V118 L159 P161 I164 Y197 S227 L228 L233 E234 M235V118-I231 HydrophobicContact CG1-CG2 4.23Å; L159-I231 HydrophobicContact CB-CD1 4.2Å; P161-I231 HydrophobicContact CG-CG1 4.13Å; P161-I231 HydrophobicContact CG-CG2 4.38Å; I164-I231 HydrophobicContact CD1-CD1 3.79Å; I164-I231 HydrophobicContact CD1-CG2 4.15Å; Y197-I231 HydrophobicContact CD1-CG1 3.82Å; Y197-I231 HydrophobicContact CE1-CG1 3.9Å; S227-I231 VanDerWaalsContact O-CG1 3.25Å; S227-I231 WeakPolarHBondContact O-CG1 2.86Å; S227-I231 PolarHBondContact O-N 3.31Å; L228-I231 WeakPolarHBondContact O-CB 3.33Å; L228-I231 PolarHBondContact O-N 2.94Å; I231-L233 VanDerWaalsContact C-N 3.3Å; I231-L233 PolarHBondContact O-N 2.97Å; I231-E234 WeakPolarHBondContact O-CB 3.03Å; I231-E234 PolarHBondContact O-N 3.43Å; I231-M235 HydrophobicContact CG2-CG 4.47Å; I231-M235 HydrophobicContact CG2-SD 4.29Å; I231-M235 WeakPolarHBondContact O-CG 3.23Å; I231-M235 PolarHBondContact O-N 2.91Å
232L98.8Very high97.3Very high0 Ų015.3 Ų15.30%07%0.073CC..Hα-helixtrans-65.3-35178.4-63.6-177.9000111.8I135 A139 L228 I230 M235 F236 I281 M284I135-L232 HydrophobicContact CG2-CD2 4.28Å; A139-L232 HydrophobicContact CB-CD1 3.78Å; A139-L232 HydrophobicContact CB-CD2 3.74Å; A139-L232 HydrophobicContact CB-CG 4.43Å; L228-L232 HydrophobicContact CD1-CD1 4.32Å; L228-L232 HydrophobicContact CD1-CD2 4.18Å; L228-L232 HydrophobicContact CD1-CG 3.96Å; L228-L232 HydrophobicContact CG-CD1 4.1Å; L228-L232 HydrophobicContact CG-CG 4.17Å; L228-L232 WeakPolarHBondContact O-CG 3.43Å; L228-L232 PolarHBondContact O-N 2.72Å; I230-L232 PolarHBondContact O-N 3.16Å; L232-M235 HydrophobicContact CD2-SD 4.23Å; L232-M235 PolarHBondContact O-N 2.98Å; L232-F236 WeakPolarHBondContact O-CB 3.49Å; L232-F236 PolarHBondContact O-N 3.23Å; L232-I281 HydrophobicContact CB-CD1 3.92Å; L232-I281 HydrophobicContact CB-CG1 4Å; L232-M284 HydrophobicContact CD1-CE 4.3Å; L232-M284 HydrophobicContact CD1-SD 4.09Å
233L98.3Very high97.1Very high0 Ų022.1 Ų22.10%010%0.103CC..Hα-helixtrans-69.6-35.7173.8-168.159.5000112.1G229 I230 I231 S237 L241 W250 I258 I261 F262 I281 L285G229-L233 WeakPolarHBondContact O-CB 3.13Å; G229-L233 PolarHBondContact O-N 3.38Å; I230-L233 PolarHBondContact O-N 2.96Å; I231-L233 VanDerWaalsContact C-N 3.3Å; I231-L233 PolarHBondContact O-N 2.97Å; L233-S237 WeakPolarHBondContact O-CB 3.37Å; L233-S237 PolarHBondContact O-N 2.99Å; L233-S237 PolarHBondContact O-OG 3.02Å; L233-L241 HydrophobicContact CB-CD1 3.71Å; L233-L241 HydrophobicContact CD2-CD1 3.69Å; L233-L241 HydrophobicContact CG-CD1 3.52Å; L233-W250 HydrophobicContact CD2-CH2 4.1Å; L233-W250 HydrophobicContact CD2-CZ3 4.26Å; L233-I258 HydrophobicContact CD1-CG2 4.43Å; L233-I258 HydrophobicContact CD2-CG1 3.91Å; L233-I261 HydrophobicContact CD1-CB 4.47Å; L233-I261 HydrophobicContact CD1-CD1 4.3Å; L233-I261 HydrophobicContact CD1-CG2 3.92Å; L233-I261 HydrophobicContact CD2-CD1 4.08Å; L233-I261 HydrophobicContact CG-CD1 4.28Å; L233-F262 HydrophobicContact CD1-CD2 4.41Å; L233-F262 HydrophobicContact CD1-CE2 3.83Å; L233-I281 HydrophobicContact CB-CD1 4.32Å; L233-I281 HydrophobicContact CB-CG2 4.25Å; L233-I281 HydrophobicContact CD1-CD1 4.39Å; L233-I281 HydrophobicContact CD1-CG2 4.48Å; L233-L285 HydrophobicContact CD2-CD1 4.35Å
234E97.9Very high97Very high2 Ų224.3 Ų24.31%0.00912%0.117CC..Hα-helixtrans-64.4-44.1169.8-67.1-158150.200110.9L122 Y197 I230 I231 F236 S237 G238 M239 K240 L241L122-E234 HydrophobicContact CD1-CB 4.23Å; L122-E234 HydrophobicContact CD2-CB 4.4Å; L122-E234 WeakPolarHBondContact CD2-O 3.47Å; Y197-E234 PolarHBondContact OH-OE1 2.86Å; Y197-E234 PolarHBondContact OH-OE2 2.94Å; I230-E234 HydrophobicContact CG2-CG 4.42Å; I230-E234 WeakPolarHBondContact O-CG 3.42Å; I230-E234 PolarHBondContact O-N 3.2Å; I231-E234 WeakPolarHBondContact O-CB 3.03Å; I231-E234 PolarHBondContact O-N 3.43Å; E234-F236 PolarHBondContact O-N 3.35Å; E234-S237 PolarHBondContact O-N 3.43Å; E234-G238 WeakPolarHBondContact O-CA 3.38Å; E234-G238 PolarHBondContact O-N 2.9Å; E234-M239 WeakPolarHBondContact CG-O 3.42Å; E234-K240 WeakPolarHBondContact OE1-CA 3.23Å; E234-K240 WeakPolarHBondContact OE1-CD 3.44Å; E234-K240 IonicContact OE2-NZ 2.95Å; E234-K240 PolarHBondContact OE2-NZ 3.34Å; E234-L241 HydrophobicContact CG-CB 4.22Å; E234-L241 HydrophobicContact CG-CD1 3.81Å; E234-L241 HydrophobicContact CG-CG 3.93Å; E234-L241 PolarHBondContact OE1-N 3.05Å
235M97.5Very high96.8Very high0 Ų025.3 Ų25.30%012%0.123CC..Hα-helixtrans-61.7-44176.9-68.6-17973.700111.7V118 L122 G129 C130 M134 I135 C138 I231 L232V118-M235 HydrophobicContact CG1-CE 4.25Å; V118-M235 HydrophobicContact CG1-CG 3.85Å; V118-M235 HydrophobicContact CG1-SD 3.65Å; L122-M235 HydrophobicContact CD2-CB 4.43Å; L122-M235 HydrophobicContact CD2-CG 4.13Å; G129-M235 CarbonylContact C-O 3.59Å; G129-M235 WeakPolarHBondContact CA-O 3.38Å; C130-M235 HydrophobicContact CB-CB 4.47Å; C130-M235 HydrophobicContact CB-CE 4.29Å; C130-M235 PolarHBondContact N-O 3.34Å; M134-M235 HydrophobicContact CG-CE 4.01Å; I135-M235 HydrophobicContact CG1-CB 3.95Å; I135-M235 HydrophobicContact CG1-CE 4.35Å; C138-M235 HydrophobicContact CB-CE 3.83Å; C138-M235 HydrophobicContact CB-SD 4.17Å; I231-M235 HydrophobicContact CG2-CG 4.47Å; I231-M235 HydrophobicContact CG2-SD 4.29Å; I231-M235 WeakPolarHBondContact O-CG 3.23Å; I231-M235 PolarHBondContact O-N 2.91Å; L232-M235 HydrophobicContact CD2-SD 4.23Å; L232-M235 PolarHBondContact O-N 2.98Å
236F97Very high96.5Very high5 Ų531.5 Ų31.52%0.02215%0.146CC..Hα-helixtrans-67.2-45.8176.5177.2-96.7000112.3M132 I135 L232 E234 I261 F262 K265 L277M132-F236 HydrophobicContact CE-CD2 4.05Å; M132-F236 HydrophobicContact CE-CE2 3.68Å; I135-F236 HydrophobicContact CD1-CB 4.07Å; I135-F236 HydrophobicContact CD1-CD2 4.33Å; L232-F236 WeakPolarHBondContact O-CB 3.49Å; L232-F236 PolarHBondContact O-N 3.23Å; E234-F236 PolarHBondContact O-N 3.35Å; F236-I261 HydrophobicContact CD1-CG2 4.16Å; F236-I261 HydrophobicContact CE1-CG2 4.28Å; F236-F262 HydrophobicContact CD1-CD1 4.27Å; F236-F262 HydrophobicContact CD1-CD2 4.22Å; F236-F262 AromaticContact CD1-CE1 3.97Å; F236-F262 HydrophobicContact CD1-CE1 3.97Å; F236-F262 AromaticContact CD1-CE2 3.94Å; F236-F262 HydrophobicContact CD1-CE2 3.94Å; F236-F262 HydrophobicContact CD1-CG 4.39Å; F236-F262 AromaticContact CD1-CZ 3.8Å; F236-F262 HydrophobicContact CD1-CZ 3.8Å; F236-F262 AromaticContact CD2-CE1 3.89Å; F236-F262 HydrophobicContact CD2-CE1 3.89Å; F236-F262 HydrophobicContact CD2-CZ 4.15Å; F236-F262 HydrophobicContact CE1-CB 4.36Å; F236-F262 AromaticContact CE1-CD1 3.6Å; F236-F262 HydrophobicContact CE1-CD1 3.6Å; F236-F262 AromaticContact CE1-CD2 3.97Å; F236-F262 HydrophobicContact CE1-CD2 3.97Å; F236-F262 AromaticContact CE1-CE1 3.73Å; F236-F262 HydrophobicContact CE1-CE1 3.73Å; F236-F262 HydrophobicContact CE1-CE2 4.11Å; F236-F262 AromaticContact CE1-CG 3.73Å; F236-F262 HydrophobicContact CE1-CG 3.73Å; F236-F262 AromaticContact CE1-CZ 3.99Å; F236-F262 HydrophobicContact CE1-CZ 3.99Å; F236-F262 AromaticContact CE2-CD1 3.93Å; F236-F262 HydrophobicContact CE2-CD1 3.93Å; F236-F262 AromaticContact CE2-CE1 3.61Å; F236-F262 HydrophobicContact CE2-CE1 3.61Å; F236-F262 HydrophobicContact CE2-CZ 4.3Å; F236-F262 HydrophobicContact CG-CE1 4.05Å; F236-F262 HydrophobicContact CG-CE2 4.44Å; F236-F262 AromaticContact CG-CZ 3.89Å; F236-F262 HydrophobicContact CG-CZ 3.89Å; F236-F262 AromaticContact CZ-CD1 3.38Å; F236-F262 HydrophobicContact CZ-CD1 3.38Å; F236-F262 AromaticContact CZ-CE1 3.53Å; F236-F262 HydrophobicContact CZ-CE1 3.53Å; F236-F262 AromaticContact CZ-CG 3.96Å; F236-F262 HydrophobicContact CZ-CG 3.96Å; F236-F262 HydrophobicContact CZ-CZ 4.22Å; F236-K265 HydrophobicContact CE1-CB 4.21Å; F236-K265 HydrophobicContact CE1-CD 4.09Å; F236-K265 HydrophobicContact CE1-CG 4.39Å; F236-K265 HydrophobicContact CZ-CB 3.89Å; F236-K265 HydrophobicContact CZ-CD 4.23Å; F236-K265 HydrophobicContact CZ-CG 4.5Å; F236-K265 PolarHBondContact O-NZ 2.6Å; F236-L277 HydrophobicContact CB-CD2 4.21Å; F236-L277 HydrophobicContact CD2-CD2 3.72Å; F236-L277 HydrophobicContact CG-CD2 4.21Å
237S94.8Very high96.3Very high3 Ų332.6 Ų32.62%0.02116%0.155CC..Hα-helixtrans-81.1-26.3-173.765.90000114.1L233 E234 M239 K265L233-S237 WeakPolarHBondContact O-CB 3.37Å; L233-S237 PolarHBondContact O-N 2.99Å; L233-S237 PolarHBondContact O-OG 3.02Å; E234-S237 PolarHBondContact O-N 3.43Å; S237-M239 PolarHBondContact O-N 3.13Å; S237-M239 PolarHBondContact OG-N 2.99Å; S237-M239 VanDerWaalsContact OG-N 3.15Å; S237-K265 VanDerWaalsContact O-CE 3.28Å; S237-K265 WeakPolarHBondContact O-CE 3.35Å; S237-K265 PolarHBondContact O-NZ 3.44Å
238G94Very high96.1Very high7 Ų739 Ų397%0.07218%0.184CC..  trans69.97.2-168.100000113.5H127 E234H127-G238 WeakPolarHBondContact CA-O 3.24Å; H127-G238 PolarHBondContact ND1-O 3.11Å; E234-G238 WeakPolarHBondContact O-CA 3.38Å; E234-G238 PolarHBondContact O-N 2.9Å
239M92.9Very high96Very high85 Ų8544.9 Ų44.942%0.41921%0.212SC..SBendtrans-106.6147.6-176.4-62.6-170.3-70.600111.2E234 S237 I261E234-M239 WeakPolarHBondContact CG-O 3.42Å; S237-M239 PolarHBondContact O-N 3.13Å; S237-M239 PolarHBondContact OG-N 2.99Å; S237-M239 VanDerWaalsContact OG-N 3.15Å; M239-I261 HydrophobicContact CE-CG1 4.25Å
240K93.6Very high95.8Very high116 Ų11645.1 Ų45.150%0.50421%0.213SC..  trans-80.1120.9167.2-72.9-65.4176-167.70110Y197 E234Y197-K240 PolarHBondContact OH-NZ 2.98Å; E234-K240 WeakPolarHBondContact OE1-CA 3.23Å; E234-K240 WeakPolarHBondContact OE1-CD 3.44Å; E234-K240 IonicContact OE2-NZ 2.95Å; E234-K240 PolarHBondContact OE2-NZ 3.34Å
241L95.4Very high95.6Very high1 Ų151.6 Ų51.61%0.00524%0.241CC..  trans-97.7-2.7-169.4-65.6172000113.8I230 L233 E234 H243 T244 V245 I261I230-L241 HydrophobicContact CG2-CB 4.43Å; I230-L241 HydrophobicContact CG2-CD1 4.5Å; L233-L241 HydrophobicContact CB-CD1 3.71Å; L233-L241 HydrophobicContact CD2-CD1 3.69Å; L233-L241 HydrophobicContact CG-CD1 3.52Å; E234-L241 HydrophobicContact CG-CB 4.22Å; E234-L241 HydrophobicContact CG-CD1 3.81Å; E234-L241 HydrophobicContact CG-CG 3.93Å; E234-L241 PolarHBondContact OE1-N 3.05Å; L241-H243 VanDerWaalsContact C-N 3.26Å; L241-H243 PolarHBondContact O-N 3.48Å; L241-H243 VanDerWaalsContact O-N 3.1Å; L241-T244 CarbonylContact O-C 3.56Å; L241-T244 WeakPolarHBondContact O-CA 3.44Å; L241-T244 WeakPolarHBondContact O-CB 3.2Å; L241-T244 PolarHBondContact O-N 3.41Å; L241-V245 HydrophobicContact CB-CG1 4.23Å; L241-V245 WeakPolarHBondContact O-CG2 3.49Å; L241-V245 PolarHBondContact O-N 3.06Å; L241-I261 HydrophobicContact CD2-CD1 4.15Å
242K95.3Very high95.4Very high82 Ų8255.3 Ų55.336%0.35727%0.272SS..Hα-helixtrans-46.4-44.6-178.9175.2175.9174.3160.90114.1D195 V245 R246D195-K242 WeakPolarHBondContact OD2-CE 3.48Å; D195-K242 IonicContact OD2-NZ 3.73Å; D195-K242 PolarHBondContact OD2-NZ 3.18Å; K242-V245 WeakPolarHBondContact O-CG2 3.26Å; K242-R246 WeakPolarHBondContact O-CD 3.46Å; K242-R246 VanDerWaalsContact O-CG 3.29Å; K242-R246 WeakPolarHBondContact O-CG 3.25Å
243H95.1Very high95.2Very high154 Ų15459.6 Ų59.671%0.71330%0.295SS*.Hα-helixtrans-76.4-37.6179.4-67.2-70000111.9L241 R246 S247L241-H243 VanDerWaalsContact C-N 3.26Å; L241-H243 PolarHBondContact O-N 3.48Å; L241-H243 VanDerWaalsContact O-N 3.1Å; H243-R246 PolarHBondContact O-N 2.98Å; H243-S247 PolarHBondContact O-N 3.3Å
244T95.4Very high95.1Very high47 Ų4760.2 Ų60.229%0.28830%0.299SS..Hα-helixtrans-60.2-51.3176.4-50.40000111.4L241 R246 S247 W250 I257L241-T244 CarbonylContact O-C 3.56Å; L241-T244 WeakPolarHBondContact O-CA 3.44Å; L241-T244 WeakPolarHBondContact O-CB 3.2Å; L241-T244 PolarHBondContact O-N 3.41Å; T244-R246 PolarHBondContact O-N 2.89Å; T244-R246 VanDerWaalsContact O-N 3.12Å; T244-S247 VanDerWaalsContact O-CB 3.27Å; T244-S247 WeakPolarHBondContact O-CB 3.41Å; T244-S247 PolarHBondContact O-N 2.99Å; T244-S247 PolarHBondContact O-OG 3.32Å; T244-W250 HydrophobicContact CG2-CE3 4.16Å; T244-W250 WeakPolarHBondContact O-CB 3.27Å; T244-I257 HydrophobicContact CG2-CG2 3.96Å
245V94.7Very high95Very high21 Ų2162.3 Ų62.313%0.12731%0.314CS..Hα-helixtrans-64.8-20.2-177.9-58.90000113.5I230 L241 K242 W250I230-V245 HydrophobicContact CD1-CG1 3.63Å; I230-V245 HydrophobicContact CG1-CG1 4.45Å; L241-V245 HydrophobicContact CB-CG1 4.23Å; L241-V245 WeakPolarHBondContact O-CG2 3.49Å; L241-V245 PolarHBondContact O-N 3.06Å; K242-V245 WeakPolarHBondContact O-CG2 3.26Å; V245-W250 HydrophobicContact CB-CD2 4.38Å; V245-W250 HydrophobicContact CG1-CD2 4.23Å; V245-W250 HydrophobicContact CG1-CE3 4.43Å; V245-W250 HydrophobicContact CG1-CH2 4.31Å; V245-W250 HydrophobicContact CG1-CZ2 4.11Å; V245-W250 HydrophobicContact CG1-CZ3 4.46Å; V245-W250 VanDerWaalsContact O-CD1 3.31Å
246R91.9Very high95Very high132 Ų13264.4 Ų64.450%0.49833%0.331SS..Hα-helixtrans-89.6-13.4177-69.217970.3136.92.3113.1D195 K242 H243 T244D195-R246 VanDerWaalsContact CG-NH1 3.32Å; D195-R246 IonicContact OD1-CZ 3.67Å; D195-R246 IonicContact OD1-NH1 2.7Å; D195-R246 PolarHBondContact OD1-NH1 2.99Å; D195-R246 IonicContact OD2-NH1 2.7Å; D195-R246 PolarHBondContact OD2-NH1 3.38Å; D195-R246 VanDerWaalsContact OD2-NH1 3.07Å; K242-R246 WeakPolarHBondContact O-CD 3.46Å; K242-R246 VanDerWaalsContact O-CG 3.29Å; K242-R246 WeakPolarHBondContact O-CG 3.25Å; H243-R246 PolarHBondContact O-N 2.98Å; T244-R246 PolarHBondContact O-N 2.89Å; T244-R246 VanDerWaalsContact O-N 3.12Å
247S95.4Very high95Very high30 Ų3065.8 Ų65.821%0.2134%0.338CS..SBendtrans-70.4157.2-173.898.80000111.1H243 T244 E249 W250 K251H243-S247 PolarHBondContact O-N 3.3Å; T244-S247 VanDerWaalsContact O-CB 3.27Å; T244-S247 WeakPolarHBondContact O-CB 3.41Å; T244-S247 PolarHBondContact O-N 2.99Å; T244-S247 PolarHBondContact O-OG 3.32Å; S247-E249 WeakPolarHBondContact CB-OE2 3.26Å; S247-E249 PolarHBondContact O-N 3.42Å; S247-E249 PolarHBondContact OG-N 2.8Å; S247-E249 PolarHBondContact OG-OE2 3.2Å; S247-W250 PolarHBondContact O-N 2.89Å; S247-W250 PolarHBondContact OG-N 3.43Å; S247-K251 PolarHBondContact O-N 3.41Å
248Q95.2Very high95.1Very high133 Ų13365.7 Ų65.762%0.62134%0.337SS*.Hα-helixtrans-70-30178.7-171.259.818.800111.1K251 A252Q248-K251 PolarHBondContact O-N 2.84Å; Q248-A252 WeakPolarHBondContact O-CB 3.5Å; Q248-A252 PolarHBondContact O-N 3.33Å
249E96Very high95.3Very high124 Ų12468 Ų6858%0.57935%0.348SS*.Hα-helixtrans-61.6-43174.7-56.878.7-174.600111S247 A252 N253 I257S247-E249 WeakPolarHBondContact CB-OE2 3.26Å; S247-E249 PolarHBondContact O-N 3.42Å; S247-E249 PolarHBondContact OG-N 2.8Å; S247-E249 PolarHBondContact OG-OE2 3.2Å; E249-A252 PolarHBondContact O-N 2.77Å; E249-N253 PolarHBondContact O-N 3.09Å; E249-I257 HydrophobicContact CB-CD1 3.94Å
250W95.8Very high95.4Very high6 Ų670.4 Ų70.42%0.02336%0.358CS..Hα-helixtrans-63.3-46.7175.9179.9-85.1000111.8W226 I230 L233 T244 V245 S247 A252 N253 S254 I257 I258 L285W226-W250 HydrophobicContact CH2-CZ2 4.48Å; W226-W250 AromaticContact CH2-NE1 3.81Å; W226-W250 HydrophobicContact CZ2-CZ2 4.39Å; W226-W250 AromaticContact CZ2-NE1 3.83Å; I230-W250 HydrophobicContact CD1-CH2 4Å; I230-W250 HydrophobicContact CD1-CZ2 3.85Å; L233-W250 HydrophobicContact CD2-CH2 4.1Å; L233-W250 HydrophobicContact CD2-CZ3 4.26Å; T244-W250 HydrophobicContact CG2-CE3 4.16Å; T244-W250 WeakPolarHBondContact O-CB 3.27Å; V245-W250 HydrophobicContact CB-CD2 4.38Å; V245-W250 HydrophobicContact CG1-CD2 4.23Å; V245-W250 HydrophobicContact CG1-CE3 4.43Å; V245-W250 HydrophobicContact CG1-CH2 4.31Å; V245-W250 HydrophobicContact CG1-CZ2 4.11Å; V245-W250 HydrophobicContact CG1-CZ3 4.46Å; V245-W250 VanDerWaalsContact O-CD1 3.31Å; S247-W250 PolarHBondContact O-N 2.89Å; S247-W250 PolarHBondContact OG-N 3.43Å; W250-A252 PolarHBondContact O-N 2.83Å; W250-N253 CarbonylContact O-C 3.57Å; W250-N253 PolarHBondContact O-N 3.38Å; W250-S254 PolarHBondContact O-N 2.87Å; W250-I257 VanDerWaalsContact CA-CD1 3.48Å; W250-I257 HydrophobicContact CB-CD1 3.97Å; W250-I257 HydrophobicContact CE3-CB 4.22Å; W250-I257 HydrophobicContact CE3-CD1 4.16Å; W250-I257 HydrophobicContact CE3-CG2 4.06Å; W250-I257 HydrophobicContact CZ3-CB 4.47Å; W250-I257 HydrophobicContact CZ3-CG2 4.19Å; W250-I258 HydrophobicContact CH2-CD1 4.2Å; W250-I258 HydrophobicContact CH2-CG1 4.11Å; W250-I258 HydrophobicContact CZ3-CG1 4.22Å; W250-L285 HydrophobicContact CH2-CD1 3.85Å; W250-L285 HydrophobicContact CZ2-CD1 4.09Å
251K93.1Very high95.5Very high135 Ų13565.3 Ų65.359%0.58734%0.336SS*.Hα-helixtrans-63.3-28.1177.2-65.8177.4-177.6-179.20112.7S247 Q248S247-K251 PolarHBondContact O-N 3.41Å; Q248-K251 PolarHBondContact O-N 2.84Å
252A94.9Very high95.5Very high79 Ų7965.9 Ų65.965%0.65334%0.339SS*.Hα-helixtrans-78.4-43.7177.600000112.1Q248 E249 W250Q248-A252 WeakPolarHBondContact O-CB 3.5Å; Q248-A252 PolarHBondContact O-N 3.33Å; E249-A252 PolarHBondContact O-N 2.77Å; W250-A252 PolarHBondContact O-N 2.83Å
253N95.1Very high95.4Very high90 Ų9065 Ų6548%0.48135%0.347SS..Hα-helixtrans-160.979.7-179.5-167.3-17.3000112.6E249 W250 S255 A256 I257E249-N253 PolarHBondContact O-N 3.09Å; W250-N253 CarbonylContact O-C 3.57Å; W250-N253 PolarHBondContact O-N 3.38Å; N253-S255 VanDerWaalsContact C-N 3.26Å; N253-S255 PolarHBondContact O-N 2.94Å; N253-S255 PolarHBondContact OD1-N 2.94Å; N253-A256 HydrophobicContact CB-CB 4.19Å; N253-A256 PolarHBondContact O-N 3.5Å; N253-A256 PolarHBondContact OD1-N 3.23Å; N253-I257 PolarHBondContact O-N 2.79Å
254S95.8Very high95.2Very high12 Ų1261.6 Ų61.68%0.08434%0.341CS..Hα-helixtrans-56.9-38.9176.159.90000112.3W250 A256 I257 I258W250-S254 PolarHBondContact O-N 2.87Å; S254-A256 PolarHBondContact O-N 2.88Å; S254-I257 PolarHBondContact O-N 2.85Å; S254-I257 VanDerWaalsContact O-N 3.16Å; S254-I258 VanDerWaalsContact O-CG1 3.28Å; S254-I258 WeakPolarHBondContact O-CG1 3.36Å; S254-I258 PolarHBondContact O-N 3.22Å
255S96.2Very high94.7Very high46 Ų4660.8 Ų60.832%0.32233%0.333SS..Hα-helixtrans-57.7-43.9178.7177.10000112.7N253 I258 D259 K282N253-S255 VanDerWaalsContact C-N 3.26Å; N253-S255 PolarHBondContact O-N 2.94Å; N253-S255 PolarHBondContact OD1-N 2.94Å; S255-I258 PolarHBondContact O-N 3.46Å; S255-D259 PolarHBondContact O-N 2.89Å; S255-K282 WeakPolarHBondContact O-CE 3.37Å; S255-K282 WeakPolarHBondContact OG-CE 3.07Å; S255-K282 PolarHBondContact OG-NZ 3.01Å; S255-K282 VanDerWaalsContact OG-NZ 3.1Å
256A96.9Very high94Very high44 Ų4463 Ų6336%0.36435%0.353SS..Hα-helixtrans-67.5-36178.500000112.4N253 S254 D259 H260N253-A256 HydrophobicContact CB-CB 4.19Å; N253-A256 PolarHBondContact O-N 3.5Å; N253-A256 PolarHBondContact OD1-N 3.23Å; S254-A256 PolarHBondContact O-N 2.88Å; A256-D259 PolarHBondContact O-N 3.26Å; A256-H260 PolarHBondContact O-N 3.01Å
257I97.3Very high93.1Very high34 Ų3463.8 Ų63.817%0.17437%0.372CS..Hα-helixtrans-65.5-43.5174.2-62.3-174.3000110.4T244 E249 W250 N253 S254 D259 H260 I261T244-I257 HydrophobicContact CG2-CG2 3.96Å; E249-I257 HydrophobicContact CB-CD1 3.94Å; W250-I257 VanDerWaalsContact CA-CD1 3.48Å; W250-I257 HydrophobicContact CB-CD1 3.97Å; W250-I257 HydrophobicContact CE3-CB 4.22Å; W250-I257 HydrophobicContact CE3-CD1 4.16Å; W250-I257 HydrophobicContact CE3-CG2 4.06Å; W250-I257 HydrophobicContact CZ3-CB 4.47Å; W250-I257 HydrophobicContact CZ3-CG2 4.19Å; N253-I257 PolarHBondContact O-N 2.79Å; S254-I257 PolarHBondContact O-N 2.85Å; S254-I257 VanDerWaalsContact O-N 3.16Å; I257-D259 VanDerWaalsContact C-N 3.34Å; I257-D259 PolarHBondContact O-N 2.73Å; I257-H260 PolarHBondContact O-N 3.45Å; I257-I261 HydrophobicContact CG2-CD1 4.01Å; I257-I261 WeakPolarHBondContact O-CG1 3.31Å; I257-I261 PolarHBondContact O-N 3.42Å
258I97.4Very high92.2Very high1 Ų168.1 Ų68.11%0.00540%0.397CS..Hα-helixtrans-59.7-46.8175.6-64.6162.4000109.8L233 W250 S254 S255 H260 I261 F262 R278 I281 K282 L285L233-I258 HydrophobicContact CD1-CG2 4.43Å; L233-I258 HydrophobicContact CD2-CG1 3.91Å; W250-I258 HydrophobicContact CH2-CD1 4.2Å; W250-I258 HydrophobicContact CH2-CG1 4.11Å; W250-I258 HydrophobicContact CZ3-CG1 4.22Å; S254-I258 VanDerWaalsContact O-CG1 3.28Å; S254-I258 WeakPolarHBondContact O-CG1 3.36Å; S254-I258 PolarHBondContact O-N 3.22Å; S255-I258 PolarHBondContact O-N 3.46Å; I258-H260 VanDerWaalsContact C-N 3.29Å; I258-H260 PolarHBondContact O-N 2.71Å; I258-I261 PolarHBondContact O-N 2.84Å; I258-F262 HydrophobicContact CG2-CD2 3.93Å; I258-F262 HydrophobicContact CG2-CE2 4.01Å; I258-F262 WeakPolarHBondContact O-CD2 3.2Å; I258-F262 PolarHBondContact O-N 3.4Å; I258-R278 HydrophobicContact CG2-CG 3.92Å; I258-I281 HydrophobicContact CD1-CG2 4.48Å; I258-K282 HydrophobicContact CB-CG 4.42Å; I258-K282 HydrophobicContact CD1-CG 4Å; I258-K282 HydrophobicContact CG2-CG 3.99Å; I258-L285 HydrophobicContact CD1-CB 4.33Å; I258-L285 HydrophobicContact CD1-CD1 3.8Å
259D96.9Very high91.5Very high55 Ų5563.4 Ų63.429%0.29438%0.377SS..Hα-helixtrans-56.8-42.6175.7-74.8-42.2000112.4S255 A256 I257 F262 A263 R278 K282S255-D259 PolarHBondContact O-N 2.89Å; A256-D259 PolarHBondContact O-N 3.26Å; I257-D259 VanDerWaalsContact C-N 3.34Å; I257-D259 PolarHBondContact O-N 2.73Å; D259-F262 PolarHBondContact O-N 3.39Å; D259-A263 WeakPolarHBondContact O-CB 3.23Å; D259-A263 PolarHBondContact O-N 3.36Å; D259-R278 VanDerWaalsContact OD1-CD 3.27Å; D259-R278 WeakPolarHBondContact OD1-CD 3.49Å; D259-R278 IonicContact OD1-CZ 3.86Å; D259-R278 IonicContact OD1-NE 3.81Å; D259-R278 IonicContact OD1-NH1 2.87Å; D259-K282 WeakPolarHBondContact OD1-CE 3.23Å; D259-K282 IonicContact OD1-NZ 2.73Å; D259-K282 PolarHBondContact OD1-NZ 3.45Å; D259-K282 IonicContact OD2-NZ 4Å; D259-K282 PolarHBondContact OD2-NZ 3.49Å
260H95.9Very high90.7Very high136 Ų13660.6 Ų60.663%0.6338%0.375SS*.Hα-helixtrans-64.8-40.9178.3-173.470.8000112.6A256 I257 I258 F262 A263 S264A256-H260 PolarHBondContact O-N 3.01Å; I257-H260 PolarHBondContact O-N 3.45Å; I258-H260 VanDerWaalsContact C-N 3.29Å; I258-H260 PolarHBondContact O-N 2.71Å; H260-F262 VanDerWaalsContact C-N 3.33Å; H260-F262 PolarHBondContact O-N 2.81Å; H260-A263 PolarHBondContact O-N 2.92Å; H260-S264 PolarHBondContact O-N 3.42Å
261I95.3Very high89.9Confident9 Ų962.8 Ų62.85%0.04639%0.394CS..Hα-helixtrans-62-41.1175.2-69.4167.2000111L233 F236 M239 L241 I257 I258 S264L233-I261 HydrophobicContact CD1-CB 4.47Å; L233-I261 HydrophobicContact CD1-CD1 4.3Å; L233-I261 HydrophobicContact CD1-CG2 3.92Å; L233-I261 HydrophobicContact CD2-CD1 4.08Å; L233-I261 HydrophobicContact CG-CD1 4.28Å; F236-I261 HydrophobicContact CD1-CG2 4.16Å; F236-I261 HydrophobicContact CE1-CG2 4.28Å; M239-I261 HydrophobicContact CE-CG1 4.25Å; L241-I261 HydrophobicContact CD2-CD1 4.15Å; I257-I261 HydrophobicContact CG2-CD1 4.01Å; I257-I261 WeakPolarHBondContact O-CG1 3.31Å; I257-I261 PolarHBondContact O-N 3.42Å; I258-I261 PolarHBondContact O-N 2.84Å; I261-S264 PolarHBondContact O-OG 3Å
262F96.2Very high89.7Confident14 Ų1461.8 Ų61.86%0.06139%0.394CS..Hα-helixtrans-69.6-40.4176.4-86.8-95.3000112.4L233 F236 I258 D259 H260 S264 K265 A266 A274 L277 R278 I281L233-F262 HydrophobicContact CD1-CD2 4.41Å; L233-F262 HydrophobicContact CD1-CE2 3.83Å; F236-F262 HydrophobicContact CD1-CD1 4.27Å; F236-F262 HydrophobicContact CD1-CD2 4.22Å; F236-F262 AromaticContact CD1-CE1 3.97Å; F236-F262 HydrophobicContact CD1-CE1 3.97Å; F236-F262 AromaticContact CD1-CE2 3.94Å; F236-F262 HydrophobicContact CD1-CE2 3.94Å; F236-F262 HydrophobicContact CD1-CG 4.39Å; F236-F262 AromaticContact CD1-CZ 3.8Å; F236-F262 HydrophobicContact CD1-CZ 3.8Å; F236-F262 AromaticContact CD2-CE1 3.89Å; F236-F262 HydrophobicContact CD2-CE1 3.89Å; F236-F262 HydrophobicContact CD2-CZ 4.15Å; F236-F262 HydrophobicContact CE1-CB 4.36Å; F236-F262 AromaticContact CE1-CD1 3.6Å; F236-F262 HydrophobicContact CE1-CD1 3.6Å; F236-F262 AromaticContact CE1-CD2 3.97Å; F236-F262 HydrophobicContact CE1-CD2 3.97Å; F236-F262 AromaticContact CE1-CE1 3.73Å; F236-F262 HydrophobicContact CE1-CE1 3.73Å; F236-F262 HydrophobicContact CE1-CE2 4.11Å; F236-F262 AromaticContact CE1-CG 3.73Å; F236-F262 HydrophobicContact CE1-CG 3.73Å; F236-F262 AromaticContact CE1-CZ 3.99Å; F236-F262 HydrophobicContact CE1-CZ 3.99Å; F236-F262 AromaticContact CE2-CD1 3.93Å; F236-F262 HydrophobicContact CE2-CD1 3.93Å; F236-F262 AromaticContact CE2-CE1 3.61Å; F236-F262 HydrophobicContact CE2-CE1 3.61Å; F236-F262 HydrophobicContact CE2-CZ 4.3Å; F236-F262 HydrophobicContact CG-CE1 4.05Å; F236-F262 HydrophobicContact CG-CE2 4.44Å; F236-F262 AromaticContact CG-CZ 3.89Å; F236-F262 HydrophobicContact CG-CZ 3.89Å; F236-F262 AromaticContact CZ-CD1 3.38Å; F236-F262 HydrophobicContact CZ-CD1 3.38Å; F236-F262 AromaticContact CZ-CE1 3.53Å; F236-F262 HydrophobicContact CZ-CE1 3.53Å; F236-F262 AromaticContact CZ-CG 3.96Å; F236-F262 HydrophobicContact CZ-CG 3.96Å; F236-F262 HydrophobicContact CZ-CZ 4.22Å; I258-F262 HydrophobicContact CG2-CD2 3.93Å; I258-F262 HydrophobicContact CG2-CE2 4.01Å; I258-F262 WeakPolarHBondContact O-CD2 3.2Å; I258-F262 PolarHBondContact O-N 3.4Å; D259-F262 PolarHBondContact O-N 3.39Å; H260-F262 VanDerWaalsContact C-N 3.33Å; H260-F262 PolarHBondContact O-N 2.81Å; F262-S264 VanDerWaalsContact C-N 3.31Å; F262-S264 PolarHBondContact O-N 3.16Å; F262-K265 PolarHBondContact O-N 3.28Å; F262-A266 PolarHBondContact O-N 2.88Å; F262-A274 HydrophobicContact CD1-CB 4.14Å; F262-A274 WeakPolarHBondContact CD1-O 3.31Å; F262-A274 HydrophobicContact CE1-CB 4.41Å; F262-A274 WeakPolarHBondContact CE1-O 3.49Å; F262-L277 HydrophobicContact CE1-CB 4.31Å; F262-L277 HydrophobicContact CE1-CD2 4.26Å; F262-L277 HydrophobicContact CE1-CG 4.28Å; F262-L277 HydrophobicContact CZ-CB 4.41Å; F262-L277 HydrophobicContact CZ-CD2 4.15Å; F262-L277 HydrophobicContact CZ-CG 3.99Å; F262-R278 HydrophobicContact CB-CG 4.45Å; F262-R278 HydrophobicContact CD1-CB 3.74Å; F262-R278 HydrophobicContact CD1-CG 4.28Å; F262-R278 HydrophobicContact CD2-CB 3.88Å; F262-R278 HydrophobicContact CD2-CG 3.65Å; F262-R278 HydrophobicContact CE1-CB 3.67Å; F262-R278 HydrophobicContact CE2-CB 3.79Å; F262-R278 HydrophobicContact CE2-CG 3.9Å; F262-R278 HydrophobicContact CG-CB 3.85Å; F262-R278 HydrophobicContact CG-CG 3.85Å; F262-R278 VanDerWaalsContact CZ-CA 3.47Å; F262-R278 HydrophobicContact CZ-CB 3.69Å; F262-R278 HydrophobicContact CZ-CG 4.32Å; F262-I281 HydrophobicContact CE2-CD1 4.22Å; F262-I281 HydrophobicContact CZ-CD1 4.01Å
263A93Very high89.6Confident64 Ų6458.8 Ų58.853%0.52937%0.367SS..Hα-helixtrans-62.8-36.5177.700000112.5D259 H260 K265 A266D259-A263 WeakPolarHBondContact O-CB 3.23Å; D259-A263 PolarHBondContact O-N 3.36Å; H260-A263 PolarHBondContact O-N 2.92Å; A263-K265 PolarHBondContact O-N 3.29Å; A263-K265 VanDerWaalsContact O-N 3.15Å; A263-A266 WeakPolarHBondContact O-CB 3.45Å; A263-A266 PolarHBondContact O-N 2.81Å
264S90.1Very high89.5Confident82 Ų8255 Ų5557%0.57335%0.349SS*.THydrogen-bonded Turntrans-65.5-16178.373.80000113.7H260 I261 F262H260-S264 PolarHBondContact O-N 3.42Å; I261-S264 PolarHBondContact O-OG 3Å; F262-S264 VanDerWaalsContact C-N 3.31Å; F262-S264 PolarHBondContact O-N 3.16Å
265K86.4Confident89.4Confident29 Ų2960.2 Ų60.213%0.12637%0.368CS..THydrogen-bonded Turntrans-113.211.9178.2-64.5-158.1172.4-170.10114.7Q128 F236 S237 F262 A263 V267 V268 N269Q128-K265 PolarHBondContact O-NZ 3.23Å; F236-K265 HydrophobicContact CE1-CB 4.21Å; F236-K265 HydrophobicContact CE1-CD 4.09Å; F236-K265 HydrophobicContact CE1-CG 4.39Å; F236-K265 HydrophobicContact CZ-CB 3.89Å; F236-K265 HydrophobicContact CZ-CD 4.23Å; F236-K265 HydrophobicContact CZ-CG 4.5Å; F236-K265 PolarHBondContact O-NZ 2.6Å; S237-K265 VanDerWaalsContact O-CE 3.28Å; S237-K265 WeakPolarHBondContact O-CE 3.35Å; S237-K265 PolarHBondContact O-NZ 3.44Å; F262-K265 PolarHBondContact O-N 3.28Å; A263-K265 PolarHBondContact O-N 3.29Å; A263-K265 VanDerWaalsContact O-N 3.15Å; K265-V267 PolarHBondContact O-N 3.5Å; K265-V268 PolarHBondContact O-N 2.68Å; K265-N269 PolarHBondContact O-N 3.31Å; K265-N269 PolarHBondContact O-ND2 3Å
266A78.7Confident89.5Confident67 Ų6760.9 Ų60.955%0.55437%0.366SS*.THydrogen-bonded Turntrans-64.7-22.9-176.400000114.1F262 A263F262-A266 PolarHBondContact O-N 2.88Å; A263-A266 WeakPolarHBondContact O-CB 3.45Å; A263-A266 PolarHBondContact O-N 2.81Å
267V73.9Confident89.6Confident149 Ų14958.8 Ų58.890%0.90335%0.348SS*.THydrogen-bonded Turntrans-74.4-30.8177.7179.70000111.9K265K265-V267 PolarHBondContact O-N 3.5Å
268V77.1Confident89.6Confident121 Ų12159.5 Ų59.573%0.73335%0.349SS*.THydrogen-bonded Turntrans-93.1-32.7-173.7-177.20000111.6K265K265-V268 PolarHBondContact O-N 2.68Å
269N78.9Confident89.7Confident35 Ų3563.2 Ų63.219%0.18737%0.368CS..SBendtrans-106.9136-173.6-66.3-75.5000111.9M132 K265 A271 A274M132-N269 HydrophobicContact CE-CB 3.99Å; M132-N269 WeakPolarHBondContact CE-OD1 3.28Å; K265-N269 PolarHBondContact O-N 3.31Å; K265-N269 PolarHBondContact O-ND2 3Å; N269-A271 PolarHBondContact O-N 3.04Å; N269-A274 HydrophobicContact CB-CB 4.29Å
270A79.2Confident89.8Confident65 Ų6560.8 Ų60.854%0.53736%0.355SS..  trans-58.6136.417100000110.7I272 P273 A274A270-I272 PolarHBondContact O-N 2.78Å; A270-P273 HydrophobicContact CB-CG 4.11Å; A270-P273 WeakPolarHBondContact O-CD 3.46Å; A270-A274 WeakPolarHBondContact O-CB 3.39Å; A270-A274 PolarHBondContact O-N 3.02Å
271A80.4Confident89.9Confident52 Ų5254.3 Ų54.343%0.4333%0.325SS..Hα-helixtrans-59.1-46.4-169.900000113N269 A274 Y275N269-A271 PolarHBondContact O-N 3.04Å; A271-A274 PolarHBondContact O-N 3.47Å; A271-Y275 HydrophobicContact CB-CD2 4.25Å; A271-Y275 HydrophobicContact CB-CE2 3.68Å; A271-Y275 WeakPolarHBondContact O-CD2 3.5Å; A271-Y275 PolarHBondContact O-N 3.32Å
272I88.9Confident90.1Very high114 Ų11456 Ų5659%0.58533%0.333SS*.Hα-helixtrans-61.9-55.2-175.5-65170.2000112.1A270 A274 Y275 H276A270-I272 PolarHBondContact O-N 2.78Å; I272-A274 VanDerWaalsContact C-N 3.31Å; I272-A274 PolarHBondContact O-N 2.79Å; I272-Y275 PolarHBondContact O-N 2.79Å; I272-H276 PolarHBondContact O-CD2 3.36Å; I272-H276 PolarHBondContact O-N 3.45Å
273P91.6Very high90.2Very high15 Ų1557 Ų5710%0.09734%0.341CS..Hα-helixtrans-48.6-48.9171.1-3538.9000114.7M132 A270 Y275 H276 L277 I306 F308M132-P273 HydrophobicContact CE-CB 4.35Å; M132-P273 HydrophobicContact CG-CB 4.45Å; M132-P273 HydrophobicContact SD-CB 4.38Å; A270-P273 HydrophobicContact CB-CG 4.11Å; A270-P273 WeakPolarHBondContact O-CD 3.46Å; P273-Y275 VanDerWaalsContact C-N 3.35Å; P273-Y275 PolarHBondContact O-N 3.25Å; P273-H276 PolarHBondContact O-N 3.47Å; P273-L277 PolarHBondContact O-N 2.93Å; P273-I306 HydrophobicContact CB-CD1 4.28Å; P273-I306 HydrophobicContact CG-CD1 4.16Å; P273-I306 HydrophobicContact CG-CG2 4.35Å; P273-F308 HydrophobicContact CB-CE1 4.06Å; P273-F308 HydrophobicContact CB-CZ 3.78Å; P273-F308 HydrophobicContact CG-CE1 3.93Å; P273-F308 HydrophobicContact CG-CZ 3.99Å
274A93.6Very high90.4Very high11 Ų1154 Ų549%0.09132%0.316CS..Hα-helixtrans-64.4-39.7-176.600000111.6M132 F262 N269 A270 A271 I272 R278M132-A274 HydrophobicContact CE-CB 4.08Å; F262-A274 HydrophobicContact CD1-CB 4.14Å; F262-A274 WeakPolarHBondContact CD1-O 3.31Å; F262-A274 HydrophobicContact CE1-CB 4.41Å; F262-A274 WeakPolarHBondContact CE1-O 3.49Å; N269-A274 HydrophobicContact CB-CB 4.29Å; A270-A274 WeakPolarHBondContact O-CB 3.39Å; A270-A274 PolarHBondContact O-N 3.02Å; A271-A274 PolarHBondContact O-N 3.47Å; I272-A274 VanDerWaalsContact C-N 3.31Å; I272-A274 PolarHBondContact O-N 2.79Å; A274-R278 VanDerWaalsContact O-CB 3.24Å; A274-R278 WeakPolarHBondContact O-CB 3.4Å; A274-R278 PolarHBondContact O-N 3.07Å
275Y94.8Very high90.8Very high122 Ų12250.2 Ų50.248%0.47829%0.29SS..Hα-helixtrans-64-45.4176.4-67.2-43000112.7A271 I272 P273 L277 R278 D279A271-Y275 HydrophobicContact CB-CD2 4.25Å; A271-Y275 HydrophobicContact CB-CE2 3.68Å; A271-Y275 WeakPolarHBondContact O-CD2 3.5Å; A271-Y275 PolarHBondContact O-N 3.32Å; I272-Y275 PolarHBondContact O-N 2.79Å; P273-Y275 VanDerWaalsContact C-N 3.35Å; P273-Y275 PolarHBondContact O-N 3.25Å; Y275-L277 PolarHBondContact O-N 3.2Å; Y275-R278 WeakPolarHBondContact O-CB 3.39Å; Y275-R278 PolarHBondContact O-N 3.45Å; Y275-D279 WeakPolarHBondContact O-CB 3.48Å; Y275-D279 PolarHBondContact O-N 3.22Å
276H97.6Very high91.3Very high60 Ų6051.5 Ų51.528%0.27830%0.296SS..Hα-helixtrans-66-39179.6-68.8-53.9000112.7I272 P273 L280 F303I272-H276 PolarHBondContact O-CD2 3.36Å; I272-H276 PolarHBondContact O-N 3.45Å; P273-H276 PolarHBondContact O-N 3.47Å; H276-L280 WeakPolarHBondContact O-CB 3.26Å; H276-L280 PolarHBondContact O-N 3Å; H276-L280 VanDerWaalsContact O-N 3.08Å; H276-F303 HydrophobicContact CB-CB 3.84Å; H276-F303 HydrophobicContact CB-CD2 4.43Å
277L98.4Very high92.1Very high0 Ų052 Ų520%029%0.289CS..Hα-helixtrans-64.8-44.5173.2177.561.1000111.6M132 I135 F236 F262 P273 Y275 D279 L280 I281 F303M132-L277 HydrophobicContact CE-CD2 4.37Å; M132-L277 HydrophobicContact SD-CD2 4.01Å; I135-L277 HydrophobicContact CD1-CD2 4.25Å; I135-L277 HydrophobicContact CG2-CD1 3.81Å; I135-L277 HydrophobicContact CG2-CD2 3.84Å; F236-L277 HydrophobicContact CB-CD2 4.21Å; F236-L277 HydrophobicContact CD2-CD2 3.72Å; F236-L277 HydrophobicContact CG-CD2 4.21Å; F262-L277 HydrophobicContact CE1-CB 4.31Å; F262-L277 HydrophobicContact CE1-CD2 4.26Å; F262-L277 HydrophobicContact CE1-CG 4.28Å; F262-L277 HydrophobicContact CZ-CB 4.41Å; F262-L277 HydrophobicContact CZ-CD2 4.15Å; F262-L277 HydrophobicContact CZ-CG 3.99Å; P273-L277 PolarHBondContact O-N 2.93Å; Y275-L277 PolarHBondContact O-N 3.2Å; L277-D279 PolarHBondContact O-N 3.4Å; L277-L280 WeakPolarHBondContact O-CB 3.24Å; L277-L280 PolarHBondContact O-N 3.18Å; L277-I281 HydrophobicContact CD1-CD1 3.93Å; L277-I281 HydrophobicContact CD1-CG1 4.2Å; L277-I281 HydrophobicContact CG-CD1 3.93Å; L277-I281 WeakPolarHBondContact O-CG1 3.31Å; L277-I281 PolarHBondContact O-N 3.41Å; L277-F303 HydrophobicContact CB-CD2 3.92Å; L277-F303 HydrophobicContact CB-CE2 3.84Å; L277-F303 HydrophobicContact CB-CG 4.36Å; L277-F303 HydrophobicContact CB-CZ 4.18Å; L277-F303 HydrophobicContact CD1-CD1 4.21Å; L277-F303 HydrophobicContact CD1-CE1 3.8Å; L277-F303 HydrophobicContact CD1-CE2 4.49Å; L277-F303 HydrophobicContact CD1-CZ 3.98Å; L277-F303 HydrophobicContact CD2-CZ 4.37Å; L277-F303 HydrophobicContact CG-CZ 4.39Å
278R98.2Very high93.1Very high48 Ų4847.9 Ų47.918%0.18126%0.262CS..Hα-helixtrans-58.4-48.3178.2-176.3-165.567.3-162.6-13111.7I258 D259 F262 A274 Y275 L280 I281 K282I258-R278 HydrophobicContact CG2-CG 3.92Å; D259-R278 VanDerWaalsContact OD1-CD 3.27Å; D259-R278 WeakPolarHBondContact OD1-CD 3.49Å; D259-R278 IonicContact OD1-CZ 3.86Å; D259-R278 IonicContact OD1-NE 3.81Å; D259-R278 IonicContact OD1-NH1 2.87Å; F262-R278 HydrophobicContact CB-CG 4.45Å; F262-R278 HydrophobicContact CD1-CB 3.74Å; F262-R278 HydrophobicContact CD1-CG 4.28Å; F262-R278 HydrophobicContact CD2-CB 3.88Å; F262-R278 HydrophobicContact CD2-CG 3.65Å; F262-R278 HydrophobicContact CE1-CB 3.67Å; F262-R278 HydrophobicContact CE2-CB 3.79Å; F262-R278 HydrophobicContact CE2-CG 3.9Å; F262-R278 HydrophobicContact CG-CB 3.85Å; F262-R278 HydrophobicContact CG-CG 3.85Å; F262-R278 VanDerWaalsContact CZ-CA 3.47Å; F262-R278 HydrophobicContact CZ-CB 3.69Å; F262-R278 HydrophobicContact CZ-CG 4.32Å; A274-R278 VanDerWaalsContact O-CB 3.24Å; A274-R278 WeakPolarHBondContact O-CB 3.4Å; A274-R278 PolarHBondContact O-N 3.07Å; Y275-R278 WeakPolarHBondContact O-CB 3.39Å; Y275-R278 PolarHBondContact O-N 3.45Å; R278-L280 VanDerWaalsContact C-N 3.32Å; R278-I281 PolarHBondContact O-N 3.16Å; R278-K282 HydrophobicContact CG-CD 4.29Å; R278-K282 WeakPolarHBondContact O-CB 3.39Å; R278-K282 WeakPolarHBondContact O-CG 3.48Å; R278-K282 PolarHBondContact O-N 3Å
279D98.3Very high94Very high79 Ų7944.2 Ų44.242%0.42224%0.241SC..Hα-helixtrans-68.1-36.7-176.6-65.1-5.3000110.7Y275 L277 K282 S283Y275-D279 WeakPolarHBondContact O-CB 3.48Å; Y275-D279 PolarHBondContact O-N 3.22Å; L277-D279 PolarHBondContact O-N 3.4Å; D279-K282 PolarHBondContact O-N 3.42Å; D279-S283 PolarHBondContact O-N 3.44Å
280L98.8Very high94.8Very high4 Ų447.3 Ų47.32%0.02127%0.265CS..Hα-helixtrans-58.5-52.6169.5179.758.7000111.5H276 L277 R278 K282 S283 M284 A298 F303 F304H276-L280 WeakPolarHBondContact O-CB 3.26Å; H276-L280 PolarHBondContact O-N 3Å; H276-L280 VanDerWaalsContact O-N 3.08Å; L277-L280 WeakPolarHBondContact O-CB 3.24Å; L277-L280 PolarHBondContact O-N 3.18Å; R278-L280 VanDerWaalsContact C-N 3.32Å; L280-K282 VanDerWaalsContact C-N 3.32Å; L280-K282 PolarHBondContact O-N 3.09Å; L280-S283 PolarHBondContact O-N 2.96Å; L280-S283 VanDerWaalsContact O-N 3.13Å; L280-S283 PolarHBondContact O-OG 3.35Å; L280-M284 HydrophobicContact CD1-CE 3.76Å; L280-M284 HydrophobicContact CD2-CE 4.27Å; L280-M284 HydrophobicContact CG-CE 3.86Å; L280-M284 WeakPolarHBondContact O-CG 3.49Å; L280-M284 PolarHBondContact O-N 2.93Å; L280-M284 VanDerWaalsContact O-N 3.1Å; L280-A298 HydrophobicContact CD1-CB 3.93Å; L280-F303 HydrophobicContact CD2-CD1 4.25Å; L280-F304 HydrophobicContact CD2-CE2 3.96Å; L280-F304 HydrophobicContact CD2-CZ 4.11Å
281I98.8Very high95.6Very high0 Ų052.6 Ų52.60%027%0.272CS..Hα-helixtrans-59.1-42.8178.5-71.8171.5000111.1L232 L233 I258 F262 L277 R278 S283 M284 L285L232-I281 HydrophobicContact CB-CD1 3.92Å; L232-I281 HydrophobicContact CB-CG1 4Å; L233-I281 HydrophobicContact CB-CD1 4.32Å; L233-I281 HydrophobicContact CB-CG2 4.25Å; L233-I281 HydrophobicContact CD1-CD1 4.39Å; L233-I281 HydrophobicContact CD1-CG2 4.48Å; I258-I281 HydrophobicContact CD1-CG2 4.48Å; F262-I281 HydrophobicContact CE2-CD1 4.22Å; F262-I281 HydrophobicContact CZ-CD1 4.01Å; L277-I281 HydrophobicContact CD1-CD1 3.93Å; L277-I281 HydrophobicContact CD1-CG1 4.2Å; L277-I281 HydrophobicContact CG-CD1 3.93Å; L277-I281 WeakPolarHBondContact O-CG1 3.31Å; L277-I281 PolarHBondContact O-N 3.41Å; R278-I281 PolarHBondContact O-N 3.16Å; I281-S283 VanDerWaalsContact C-N 3.31Å; I281-S283 PolarHBondContact O-N 3.1Å; I281-M284 WeakPolarHBondContact O-CB 3.32Å; I281-M284 PolarHBondContact O-N 3.41Å; I281-M284 VanDerWaalsContact O-N 3.15Å; I281-L285 HydrophobicContact CG2-CD1 3.58Å; I281-L285 HydrophobicContact CG2-CG 4.25Å; I281-L285 WeakPolarHBondContact O-CB 3.42Å; I281-L285 WeakPolarHBondContact O-CG 3.21Å; I281-L285 PolarHBondContact O-N 3.26Å
282K98.6Very high96.4Very high46 Ų4650.7 Ų50.720%0.225%0.253CS..Hα-helixtrans-60.8-39.6176.5-77.9178.1166.1-171.50112.5S255 I258 D259 R278 D279 L280 M284 L285 H286S255-K282 WeakPolarHBondContact O-CE 3.37Å; S255-K282 WeakPolarHBondContact OG-CE 3.07Å; S255-K282 PolarHBondContact OG-NZ 3.01Å; S255-K282 VanDerWaalsContact OG-NZ 3.1Å; I258-K282 HydrophobicContact CB-CG 4.42Å; I258-K282 HydrophobicContact CD1-CG 4Å; I258-K282 HydrophobicContact CG2-CG 3.99Å; D259-K282 WeakPolarHBondContact OD1-CE 3.23Å; D259-K282 IonicContact OD1-NZ 2.73Å; D259-K282 PolarHBondContact OD1-NZ 3.45Å; D259-K282 IonicContact OD2-NZ 4Å; D259-K282 PolarHBondContact OD2-NZ 3.49Å; R278-K282 HydrophobicContact CG-CD 4.29Å; R278-K282 WeakPolarHBondContact O-CB 3.39Å; R278-K282 WeakPolarHBondContact O-CG 3.48Å; R278-K282 PolarHBondContact O-N 3Å; D279-K282 PolarHBondContact O-N 3.42Å; L280-K282 VanDerWaalsContact C-N 3.32Å; L280-K282 PolarHBondContact O-N 3.09Å; K282-M284 VanDerWaalsContact C-N 3.28Å; K282-M284 PolarHBondContact O-N 3.09Å; K282-L285 CarbonylContact O-C 3.36Å; K282-L285 PolarHBondContact O-N 2.92Å; K282-H286 PolarHBondContact O-N 3.36Å
283S98.6Very high96.9Very high35 Ų3547 Ų4725%0.24523%0.234CC..Hα-helixtrans-68.4-27.4176.972.70000113.3D279 L280 I281 I293D279-S283 PolarHBondContact O-N 3.44Å; L280-S283 PolarHBondContact O-N 2.96Å; L280-S283 VanDerWaalsContact O-N 3.13Å; L280-S283 PolarHBondContact O-OG 3.35Å; I281-S283 VanDerWaalsContact C-N 3.31Å; I281-S283 PolarHBondContact O-N 3.1Å; S283-I293 PolarHBondContact O-N 3.07Å; S283-I293 VanDerWaalsContact OG-CG2 3.31Å; S283-I293 WeakPolarHBondContact OG-CG2 3.25Å
284M98.8Very high97.2Very high0 Ų049.3 Ų49.30%025%0.249CC..Hα-helixtrans-78.3-28.2172.1-68.5177.7176.800113.2L143 L225 L228 L232 L280 I281 K282 R292 I293 A298L143-M284 HydrophobicContact CD1-CE 3.94Å; L143-M284 HydrophobicContact CD2-CE 3.85Å; L143-M284 HydrophobicContact CG-CE 4.27Å; L225-M284 WeakPolarHBondContact O-CB 3.45Å; L228-M284 HydrophobicContact CD2-CE 4.08Å; L228-M284 HydrophobicContact CD2-SD 4.42Å; L228-M284 HydrophobicContact CG-SD 4.3Å; L232-M284 HydrophobicContact CD1-CE 4.3Å; L232-M284 HydrophobicContact CD1-SD 4.09Å; L280-M284 HydrophobicContact CD1-CE 3.76Å; L280-M284 HydrophobicContact CD2-CE 4.27Å; L280-M284 HydrophobicContact CG-CE 3.86Å; L280-M284 WeakPolarHBondContact O-CG 3.49Å; L280-M284 PolarHBondContact O-N 2.93Å; L280-M284 VanDerWaalsContact O-N 3.1Å; I281-M284 WeakPolarHBondContact O-CB 3.32Å; I281-M284 PolarHBondContact O-N 3.41Å; I281-M284 VanDerWaalsContact O-N 3.15Å; K282-M284 VanDerWaalsContact C-N 3.28Å; K282-M284 PolarHBondContact O-N 3.09Å; M284-R292 WeakPolarHBondContact O-CD 3.17Å; M284-R292 WeakPolarHBondContact O-CG 3.48Å; M284-R292 PolarHBondContact O-NE 3.07Å; M284-I293 HydrophobicContact CB-CG2 4.48Å; M284-I293 HydrophobicContact CG-CG2 3.75Å; M284-A298 HydrophobicContact CE-CB 3.97Å
285L98.3Very high97.5Very high3 Ų348.8 Ų48.82%0.01625%0.245CC..THydrogen-bonded Turntrans-101.829.9-176.8-62.1178.8000112.9W226 I230 L233 W250 I258 I281 K282W226-L285 HydrophobicContact CD2-CD2 3.75Å; W226-L285 HydrophobicContact CE3-CB 4.45Å; W226-L285 HydrophobicContact CE3-CD2 3.95Å; W226-L285 HydrophobicContact CG-CD2 4.08Å; W226-L285 HydrophobicContact CZ3-CB 4.39Å; W226-L285 HydrophobicContact CZ3-CD2 4.44Å; W226-L285 WeakPolarHBondContact CZ3-O 3.17Å; W226-L285 WeakPolarHBondContact O-CD2 3.22Å; I230-L285 HydrophobicContact CD1-CD1 3.82Å; I230-L285 HydrophobicContact CD1-CD2 3.53Å; I230-L285 HydrophobicContact CD1-CG 4.36Å; I230-L285 HydrophobicContact CG1-CD2 3.84Å; L233-L285 HydrophobicContact CD2-CD1 4.35Å; W250-L285 HydrophobicContact CH2-CD1 3.85Å; W250-L285 HydrophobicContact CZ2-CD1 4.09Å; I258-L285 HydrophobicContact CD1-CB 4.33Å; I258-L285 HydrophobicContact CD1-CD1 3.8Å; I281-L285 HydrophobicContact CG2-CD1 3.58Å; I281-L285 HydrophobicContact CG2-CG 4.25Å; I281-L285 WeakPolarHBondContact O-CB 3.42Å; I281-L285 WeakPolarHBondContact O-CG 3.21Å; I281-L285 PolarHBondContact O-N 3.26Å; K282-L285 CarbonylContact O-C 3.36Å; K282-L285 PolarHBondContact O-N 2.92Å
286H96.8Very high97.6Very high55 Ų5547 Ų4726%0.25524%0.241SC..  trans-73.4129.1171.8-161.1-72.6000109.9K282 D288 R292K282-H286 PolarHBondContact O-N 3.36Å; H286-D288 PolarHBondContact ND1-N 3.5Å; H286-D288 PolarHBondContact ND1-O 2.8Å; H286-R292 HydrophobicContact CB-CB 4.33Å; H286-R292 PolarHBondContact O-NE 3.25Å; H286-R292 PolarHBondContact O-NH2 2.84Å
287D94.3Very high97.7Very high77 Ų7749.6 Ų49.641%0.41225%0.254SS..SBendtrans-64.9-40.5-176.6-68-63.7000112.4P289D287-P289 VanDerWaalsContact O-CD 3.28Å; D287-P289 WeakPolarHBondContact O-CD 3.32Å
288D94.8Very high97.7Very high64 Ų6449.6 Ų49.634%0.34225%0.254SS..SBendtrans-73.6113.4171.2179.4-7.1000110.1H286 S290 R291 R292H286-D288 PolarHBondContact ND1-N 3.5Å; H286-D288 PolarHBondContact ND1-O 2.8Å; D288-S290 VanDerWaalsContact CG-OG 3.25Å; D288-S290 PolarHBondContact O-N 3.5Å; D288-S290 WeakPolarHBondContact OD1-CB 2.68Å; D288-S290 PolarHBondContact OD1-N 3.43Å; D288-S290 PolarHBondContact OD1-OG 2.9Å; D288-S290 PolarHBondContact OD2-OG 3.36Å; D288-R291 HydrophobicContact CB-CB 4.3Å; D288-R291 HydrophobicContact CB-CG 4.36Å; D288-R291 PolarHBondContact O-N 3.24Å; D288-R291 VanDerWaalsContact O-N 3.16Å; D288-R291 WeakPolarHBondContact OD2-CD 3.49Å; D288-R291 WeakPolarHBondContact OD2-CG 3.34Å; D288-R292 PolarHBondContact O-N 3.35Å
289P96.1Very high97.7Very high44 Ų4449.4 Ų49.429%0.28626%0.257SS..G310 helixtrans-64.2-26.3-177.825.9-34.2000113.2E201 A222 D287 R291 R292E201-P289 HydrophobicContact CG-CG 4.48Å; A222-P289 HydrophobicContact CB-CB 3.89Å; D287-P289 VanDerWaalsContact O-CD 3.28Å; D287-P289 WeakPolarHBondContact O-CD 3.32Å; P289-R291 VanDerWaalsContact C-N 3.25Å; P289-R291 PolarHBondContact O-N 2.88Å; P289-R292 WeakPolarHBondContact O-CB 3.35Å; P289-R292 PolarHBondContact O-N 3.15Å
290S95.6Very high97.7Very high100 Ų10050.1 Ų50.170%0.69927%0.267SS*.G310 helixtrans-72.9-20.6178.672.60000113.3D288D288-S290 VanDerWaalsContact CG-OG 3.25Å; D288-S290 PolarHBondContact O-N 3.5Å; D288-S290 WeakPolarHBondContact OD1-CB 2.68Å; D288-S290 PolarHBondContact OD1-N 3.43Å; D288-S290 PolarHBondContact OD1-OG 2.9Å; D288-S290 PolarHBondContact OD2-OG 3.36Å
291R96.8Very high97.7Very high176 Ų17650.7 Ų50.766%0.66427%0.271SS*.G310 helixtrans-101.2-5.3177.5-65.2-17764.2-167-3.3112.7D288 P289D288-R291 HydrophobicContact CB-CB 4.3Å; D288-R291 HydrophobicContact CB-CG 4.36Å; D288-R291 PolarHBondContact O-N 3.24Å; D288-R291 VanDerWaalsContact O-N 3.16Å; D288-R291 WeakPolarHBondContact OD2-CD 3.49Å; D288-R291 WeakPolarHBondContact OD2-CG 3.34Å; P289-R291 VanDerWaalsContact C-N 3.25Å; P289-R291 PolarHBondContact O-N 2.88Å
292R97.9Very high97.6Very high11 Ų1154 Ų544%0.04229%0.293CS..SBendtrans-71.7135.9177.4-163.5177.4-64.5149.48.4109.2E201 A222 L225 M284 H286 D288 P289E201-R292 IonicContact OE1-CZ 3.83Å; E201-R292 IonicContact OE1-NH1 3.41Å; E201-R292 PolarHBondContact OE1-NH1 3.47Å; E201-R292 IonicContact OE1-NH2 3.53Å; E201-R292 PolarHBondContact OE1-NH2 2.85Å; E201-R292 IonicContact OE2-CZ 2.8Å; E201-R292 IonicContact OE2-NH1 3.23Å; E201-R292 IonicContact OE2-NH2 3.52Å; E201-R292 PolarHBondContact OE2-NH2 3.32Å; A222-R292 VanDerWaalsContact O-CD 3.23Å; A222-R292 WeakPolarHBondContact O-CD 3.41Å; A222-R292 PolarHBondContact O-NH1 3.13Å; L225-R292 HydrophobicContact CB-CG 4.39Å; M284-R292 WeakPolarHBondContact O-CD 3.17Å; M284-R292 WeakPolarHBondContact O-CG 3.48Å; M284-R292 PolarHBondContact O-NE 3.07Å; H286-R292 HydrophobicContact CB-CB 4.33Å; H286-R292 PolarHBondContact O-NE 3.25Å; H286-R292 PolarHBondContact O-NH2 2.84Å; D288-R292 PolarHBondContact O-N 3.35Å; P289-R292 WeakPolarHBondContact O-CB 3.35Å; P289-R292 PolarHBondContact O-N 3.15Å
293I98.6Very high97.6Very high37 Ų3751.8 Ų51.819%0.1928%0.283CS..PPolyproline II helixtrans-61.2131.8-177.5-164.3165.7000110.2L225 S283 M284 M297 A298L225-I293 VanDerWaalsContact CG-O 3.31Å; L225-I293 WeakPolarHBondContact CG-O 3.46Å; S283-I293 PolarHBondContact O-N 3.07Å; S283-I293 VanDerWaalsContact OG-CG2 3.31Å; S283-I293 WeakPolarHBondContact OG-CG2 3.25Å; M284-I293 HydrophobicContact CB-CG2 4.48Å; M284-I293 HydrophobicContact CG-CG2 3.75Å; I293-M297 HydrophobicContact CD1-CB 4.27Å; I293-M297 HydrophobicContact CG1-CB 3.83Å; I293-A298 HydrophobicContact CD1-CB 4.09Å; I293-A298 HydrophobicContact CG1-CB 4.2Å; I293-A298 HydrophobicContact CG2-CB 4.12Å
294P98.6Very high97.6Very high63 Ų6350.9 Ų50.941%0.40928%0.275SS..PPolyproline II helixtrans-77.3161.6170.930.5-34000111.4E296 M297 A298P294-E296 PolarHBondContact O-N 3.13Å; P294-M297 HydrophobicContact CG-CB 3.89Å; P294-M297 HydrophobicContact CG-CG 3.64Å; P294-M297 PolarHBondContact O-N 3.2Å; P294-A298 PolarHBondContact O-N 2.92Å
295A98.6Very high97.4Very high0 Ų055.8 Ų55.80%031%0.309CS..Hα-helixtrans-60.3-41.9-171.700000113.4L143 L146 A147 L225 M297 A298 L299L143-A295 HydrophobicContact CD2-CB 4.12Å; L146-A295 HydrophobicContact CB-CB 3.9Å; A147-A295 HydrophobicContact CB-CB 4.02Å; L225-A295 HydrophobicContact CD1-CB 4.29Å; L225-A295 HydrophobicContact CD2-CB 4.49Å; A295-M297 VanDerWaalsContact C-N 3.31Å; A295-M297 PolarHBondContact O-N 2.75Å; A295-A298 WeakPolarHBondContact O-CB 3.35Å; A295-A298 PolarHBondContact O-N 3.31Å; A295-L299 PolarHBondContact O-N 2.99Å
296E98.3Very high97.2Very high85 Ų8557.3 Ų57.340%0.39732%0.317SS..Hα-helixtrans-62-39.9179-58.875.8-168.100111.6A147 P294 C300A147-E296 WeakPolarHBondContact CA-OE1 3.02Å; A147-E296 HydrophobicContact CB-CG 3.96Å; P294-E296 PolarHBondContact O-N 3.13Å; E296-C300 PolarHBondContact O-SG 2.68Å
297M98.6Very high97Very high114 Ų11460.5 Ų60.556%0.56234%0.343SS*.Hα-helixtrans-75.6-34.2178.3-64.4-57.4-60.500111.5I293 P294 A295 L299 C300I293-M297 HydrophobicContact CD1-CB 4.27Å; I293-M297 HydrophobicContact CG1-CB 3.83Å; P294-M297 HydrophobicContact CG-CB 3.89Å; P294-M297 HydrophobicContact CG-CG 3.64Å; P294-M297 PolarHBondContact O-N 3.2Å; A295-M297 VanDerWaalsContact C-N 3.31Å; A295-M297 PolarHBondContact O-N 2.75Å; M297-L299 VanDerWaalsContact C-N 3.3Å; M297-L299 PolarHBondContact O-N 3.46Å; M297-C300 WeakPolarHBondContact O-CB 3.15Å; M297-C300 PolarHBondContact O-N 3.19Å; M297-C300 VanDerWaalsContact O-N 3.09Å
298A98.7Very high96.8Very high0 Ų059.2 Ų59.20%033%0.334CS..Hα-helixtrans-62.1-37.8174.900000111.9L143 L280 M284 I293 P294 A295 C300 S301 F304L143-A298 HydrophobicContact CD1-CB 3.78Å; L143-A298 HydrophobicContact CD2-CB 3.73Å; L143-A298 HydrophobicContact CG-CB 4.41Å; L280-A298 HydrophobicContact CD1-CB 3.93Å; M284-A298 HydrophobicContact CE-CB 3.97Å; I293-A298 HydrophobicContact CD1-CB 4.09Å; I293-A298 HydrophobicContact CG1-CB 4.2Å; I293-A298 HydrophobicContact CG2-CB 4.12Å; P294-A298 PolarHBondContact O-N 2.92Å; A295-A298 WeakPolarHBondContact O-CB 3.35Å; A295-A298 PolarHBondContact O-N 3.31Å; A298-C300 PolarHBondContact O-N 2.85Å; A298-S301 WeakPolarHBondContact O-CB 3.25Å; A298-S301 PolarHBondContact O-N 3.43Å; A298-F304 VanDerWaalsContact O-CE2 3.3Å; A298-F304 WeakPolarHBondContact O-CE2 3.41Å
299L98.6Very high96.4Very high44 Ų4460.1 Ų60.123%0.2335%0.35CS..THydrogen-bonded Turntrans-59.7-23.1173.7-74.1167.7000113.4R140 L143 E144 A147 A295 M297 S301 F304R140-L299 HydrophobicContact CG-CD2 4.24Å; L143-L299 HydrophobicContact CB-CD1 4.44Å; L143-L299 HydrophobicContact CB-CD2 3.53Å; L143-L299 HydrophobicContact CB-CG 3.77Å; L143-L299 HydrophobicContact CD1-CD2 4.28Å; L143-L299 HydrophobicContact CD1-CG 4.46Å; E144-L299 HydrophobicContact CG-CD1 4.3Å; E144-L299 HydrophobicContact CG-CD2 4.07Å; A147-L299 HydrophobicContact CB-CD1 4.27Å; A295-L299 PolarHBondContact O-N 2.99Å; M297-L299 VanDerWaalsContact C-N 3.3Å; M297-L299 PolarHBondContact O-N 3.46Å; L299-S301 PolarHBondContact O-N 2.85Å; L299-F304 WeakPolarHBondContact O-CD2 3.26Å
300C98.3Very high96Very high95 Ų9559 Ų5964%0.64234%0.342SS*.THydrogen-bonded Turntrans-82.11.9176.5-59.20000113.4E296 M297 A298E296-C300 PolarHBondContact O-SG 2.68Å; M297-C300 WeakPolarHBondContact O-CB 3.15Å; M297-C300 PolarHBondContact O-N 3.19Å; M297-C300 VanDerWaalsContact O-N 3.09Å; A298-C300 PolarHBondContact O-N 2.85Å
301S98.2Very high95.5Very high15 Ų1557.8 Ų57.811%0.10533%0.325CS..  trans-58.6137178.7176.20000111.9A298 L299 F303 F304A298-S301 WeakPolarHBondContact O-CB 3.25Å; A298-S301 PolarHBondContact O-N 3.43Å; L299-S301 PolarHBondContact O-N 2.85Å; S301-F303 PolarHBondContact O-N 3.21Å; S301-F303 WeakPolarHBondContact OG-CB 3.32Å; S301-F303 PolarHBondContact OG-N 3.05Å; S301-F304 WeakPolarHBondContact O-CB 3.45Å; S301-F304 PolarHBondContact O-N 2.86Å
302P97.6Very high94.9Very high70 Ų7050.6 Ų50.646%0.45530%0.3SS..G310 helixtrans-57-21.3173.7-23.932.9000113.6F304 S305P302-F304 PolarHBondContact O-N 3.5Å; P302-F304 VanDerWaalsContact O-N 3.16Å; P302-S305 WeakPolarHBondContact O-CB 3.35Å; P302-S305 PolarHBondContact O-N 3.32Å
303F97.8Very high94.4Very high0 Ų056 Ų560%033%0.326CS..G310 helixtrans-52.2-37.4173.8-179.2-123.5000111.7M132 I135 Q136 H276 L277 L280 S301 S305 I306 F308M132-F303 HydrophobicContact SD-CE2 4.09Å; M132-F303 HydrophobicContact SD-CZ 4.41Å; I135-F303 HydrophobicContact CG2-CE1 4.4Å; I135-F303 HydrophobicContact CG2-CZ 4.27Å; Q136-F303 HydrophobicContact CB-CD1 4.46Å; Q136-F303 HydrophobicContact CB-CE1 3.61Å; Q136-F303 HydrophobicContact CB-CZ 3.66Å; Q136-F303 HydrophobicContact CG-CD1 4.12Å; Q136-F303 HydrophobicContact CG-CE1 3.76Å; Q136-F303 HydrophobicContact CG-CZ 4.12Å; Q136-F303 PolarHBondContact NE2-O 2.58Å; H276-F303 HydrophobicContact CB-CB 3.84Å; H276-F303 HydrophobicContact CB-CD2 4.43Å; L277-F303 HydrophobicContact CB-CD2 3.92Å; L277-F303 HydrophobicContact CB-CE2 3.84Å; L277-F303 HydrophobicContact CB-CG 4.36Å; L277-F303 HydrophobicContact CB-CZ 4.18Å; L277-F303 HydrophobicContact CD1-CD1 4.21Å; L277-F303 HydrophobicContact CD1-CE1 3.8Å; L277-F303 HydrophobicContact CD1-CE2 4.49Å; L277-F303 HydrophobicContact CD1-CZ 3.98Å; L277-F303 HydrophobicContact CD2-CZ 4.37Å; L277-F303 HydrophobicContact CG-CZ 4.39Å; L280-F303 HydrophobicContact CD2-CD1 4.25Å; S301-F303 PolarHBondContact O-N 3.21Å; S301-F303 WeakPolarHBondContact OG-CB 3.32Å; S301-F303 PolarHBondContact OG-N 3.05Å; F303-S305 VanDerWaalsContact C-N 3.29Å; F303-S305 PolarHBondContact O-N 3.19Å; F303-I306 HydrophobicContact CD2-CD1 4.46Å; F303-I306 PolarHBondContact O-N 2.78Å; F303-F308 HydrophobicContact CD2-CE2 4.49Å; F303-F308 AromaticContact CE2-CE2 3.84Å; F303-F308 HydrophobicContact CE2-CE2 3.84Å; F303-F308 HydrophobicContact CE2-CZ 4.14Å; F303-F308 HydrophobicContact CZ-CE2 4.29Å
304F97.6Very high94Very high16 Ų1654.4 Ų54.47%0.0732%0.317CS..G310 helixtrans-78.4-6.6-179.3-67.9-56.3000114.6Q136 A139 R140 L143 L280 A298 L299 S301 P302Q136-F304 HydrophobicContact CG-CD1 3.69Å; Q136-F304 HydrophobicContact CG-CE1 4.01Å; A139-F304 HydrophobicContact CB-CE1 4.02Å; A139-F304 HydrophobicContact CB-CZ 3.9Å; R140-F304 HydrophobicContact CB-CD1 4.04Å; R140-F304 HydrophobicContact CB-CE1 3.68Å; R140-F304 HydrophobicContact CB-CZ 4.46Å; R140-F304 HydrophobicContact CG-CD1 4.46Å; R140-F304 HydrophobicContact CG-CE1 4.46Å; R140-F304 VanDerWaalsContact NH2-CB 3.31Å; R140-F304 PolarHBondContact NH2-O 3.37Å; L143-F304 HydrophobicContact CD1-CE2 3.75Å; L143-F304 HydrophobicContact CD1-CZ 3.66Å; L280-F304 HydrophobicContact CD2-CE2 3.96Å; L280-F304 HydrophobicContact CD2-CZ 4.11Å; A298-F304 VanDerWaalsContact O-CE2 3.3Å; A298-F304 WeakPolarHBondContact O-CE2 3.41Å; L299-F304 WeakPolarHBondContact O-CD2 3.26Å; S301-F304 WeakPolarHBondContact O-CB 3.45Å; S301-F304 PolarHBondContact O-N 2.86Å; P302-F304 PolarHBondContact O-N 3.5Å; P302-F304 VanDerWaalsContact O-N 3.16Å
305S95.7Very high93.5Very high103 Ų10351.8 Ų51.872%0.7230%0.3SS*.G310 helixtrans-92.1-7.1175-59.10000112.7P302 F303P302-S305 WeakPolarHBondContact O-CB 3.35Å; P302-S305 PolarHBondContact O-N 3.32Å; F303-S305 VanDerWaalsContact C-N 3.29Å; F303-S305 PolarHBondContact O-N 3.19Å
306I94.1Very high93.1Very high34 Ų3454.8 Ų54.817%0.17432%0.318CS..SBendtrans-86.2121.7-178.3-53.9172.2000108.8Q136 P273 F303 F308Q136-I306 PolarHBondContact NE2-O 3.02Å; P273-I306 HydrophobicContact CB-CD1 4.28Å; P273-I306 HydrophobicContact CG-CD1 4.16Å; P273-I306 HydrophobicContact CG-CG2 4.35Å; F303-I306 HydrophobicContact CD2-CD1 4.46Å; F303-I306 PolarHBondContact O-N 2.78Å; I306-F308 HydrophobicContact CB-CE2 4.01Å; I306-F308 HydrophobicContact CB-CZ 3.88Å; I306-F308 HydrophobicContact CD1-CZ 4.37Å; I306-F308 HydrophobicContact CG2-CD1 4.36Å; I306-F308 HydrophobicContact CG2-CE1 3.69Å; I306-F308 HydrophobicContact CG2-CE2 3.99Å; I306-F308 HydrophobicContact CG2-CZ 3.45Å; I306-F308 VanDerWaalsContact CG2-CZ 3.45Å; I306-F308 PolarHBondContact O-N 3.22Å
307P91.6Very high92.8Very high123 Ų12352.4 Ų52.480%0.79931%0.307SS*.  trans-74.4123174.929.9-32.3000109.8
308F90.8Very high92.6Very high50 Ų5047.3 Ų47.322%0.21928%0.282CS..  trans-112.2146.8165.9-59.2-66.9000109.4M132 W133 Q136 P273 F303 I306M132-F308 HydrophobicContact CB-CD1 3.84Å; M132-F308 HydrophobicContact CB-CD2 4.2Å; M132-F308 HydrophobicContact CB-CE1 3.62Å; M132-F308 HydrophobicContact CB-CE2 3.98Å; M132-F308 HydrophobicContact CB-CG 4.15Å; M132-F308 HydrophobicContact CB-CZ 3.71Å; M132-F308 HydrophobicContact CG-CE1 4.25Å; M132-F308 HydrophobicContact CG-CZ 4.31Å; W133-F308 HydrophobicContact CB-CB 3.71Å; W133-F308 VanDerWaalsContact CD1-O 3.26Å; W133-F308 HydrophobicContact CG-CB 4.18Å; Q136-F308 HydrophobicContact CB-CD2 4.08Å; Q136-F308 HydrophobicContact CB-CE2 4.25Å; Q136-F308 HydrophobicContact CG-CD2 4.44Å; Q136-F308 HydrophobicContact CG-CE2 4.49Å; P273-F308 HydrophobicContact CB-CE1 4.06Å; P273-F308 HydrophobicContact CB-CZ 3.78Å; P273-F308 HydrophobicContact CG-CE1 3.93Å; P273-F308 HydrophobicContact CG-CZ 3.99Å; F303-F308 HydrophobicContact CD2-CE2 4.49Å; F303-F308 AromaticContact CE2-CE2 3.84Å; F303-F308 HydrophobicContact CE2-CE2 3.84Å; F303-F308 HydrophobicContact CE2-CZ 4.14Å; F303-F308 HydrophobicContact CZ-CE2 4.29Å; I306-F308 HydrophobicContact CB-CE2 4.01Å; I306-F308 HydrophobicContact CB-CZ 3.88Å; I306-F308 HydrophobicContact CD1-CZ 4.37Å; I306-F308 HydrophobicContact CG2-CD1 4.36Å; I306-F308 HydrophobicContact CG2-CE1 3.69Å; I306-F308 HydrophobicContact CG2-CE2 3.99Å; I306-F308 HydrophobicContact CG2-CZ 3.45Å; I306-F308 VanDerWaalsContact CG2-CZ 3.45Å; I306-F308 PolarHBondContact O-N 3.22Å
309A86.8Confident92.4Very high82 Ų8247.4 Ų47.468%0.67828%0.283SS*.PPolyproline II helixtrans-101.5145.8166.500000109
310P87.7Confident92.3Very high20 Ų2045.6 Ų45.613%0.1327%0.274CS..PPolyproline II helixtrans-64.8136.1175.227.4-33.7000110.3W133 D314 L315W133-P310 HydrophobicContact CD2-CB 3.72Å; W133-P310 HydrophobicContact CE3-CB 3.91Å; W133-P310 HydrophobicContact CG-CB 4.27Å; W133-P310 HydrophobicContact CH2-CB 4.22Å; W133-P310 HydrophobicContact CZ2-CB 4.03Å; W133-P310 HydrophobicContact CZ2-CG 4.45Å; W133-P310 HydrophobicContact CZ3-CB 4.16Å; P310-D314 HydrophobicContact CB-CB 4.21Å; P310-L315 HydrophobicContact CB-CD2 3.88Å; P310-L315 HydrophobicContact CB-CG 4.08Å; P310-L315 HydrophobicContact CG-CD2 3.96Å; P310-L315 HydrophobicContact CG-CG 4.37Å
311H85.2Confident92.2Very high75 Ų7541.1 Ų41.135%0.34724%0.244SC..PPolyproline II helixtrans-77162.6171.2-166-105.5000110.6E313 D314 L315H311-E313 PolarHBondContact ND1-N 3.46Å; H311-E313 PolarHBondContact O-N 3.07Å; H311-D314 WeakPolarHBondContact CB-OD2 3.37Å; H311-D314 PolarHBondContact N-OD2 2.7Å; H311-D314 WeakPolarHBondContact O-CB 3.45Å; H311-D314 PolarHBondContact O-N 2.66Å; H311-L315 WeakPolarHBondContact O-CG 3.34Å; H311-L315 PolarHBondContact O-N 3.15Å; H311-L315 VanDerWaalsContact O-N 3.12Å
312I84.6Confident92.1Very high25 Ų2540.4 Ų40.413%0.12824%0.239CC..Hα-helixtrans-57.7-35.3176.8-166171.1000112D314 L315 V316 L326 T402 T417 L419I312-D314 PolarHBondContact O-N 3.48Å; I312-L315 CarbonylContact O-C 3.5Å; I312-L315 PolarHBondContact O-N 3.42Å; I312-V316 WeakPolarHBondContact O-CG2 3.11Å; I312-V316 PolarHBondContact O-N 2.65Å; I312-L326 HydrophobicContact CD1-CD1 4.35Å; I312-T402 HydrophobicContact CD1-CG2 4.08Å; I312-T402 HydrophobicContact CG1-CG2 3.76Å; I312-T417 HydrophobicContact CB-CG2 4.31Å; I312-L419 HydrophobicContact CD1-CD2 3.74Å
313E86.8Confident92Very high125 Ų12537.1 Ų37.158%0.58422%0.217SC*.Hα-helixtrans-62.5-40.8175.5-66.5177.1-179.800112.1H311 L315 V316 M317H311-E313 PolarHBondContact ND1-N 3.46Å; H311-E313 PolarHBondContact O-N 3.07Å; E313-L315 VanDerWaalsContact C-N 3.31Å; E313-L315 PolarHBondContact O-N 2.87Å; E313-V316 PolarHBondContact O-N 3.26Å; E313-M317 HydrophobicContact CB-CE 4.27Å; E313-M317 WeakPolarHBondContact O-CE 3.37Å; E313-M317 WeakPolarHBondContact O-CG 3.47Å; E313-M317 PolarHBondContact O-N 2.79Å
314D89Confident91.9Very high3 Ų337.1 Ų37.12%0.01622%0.217CC..Hα-helixtrans-62.1-43.7176-60.1-41.9000110.4S131 W133 M134 P310 H311 I312 V316 M317 L318S131-D314 WeakPolarHBondContact CB-OD2 3.16Å; S131-D314 PolarHBondContact OG-OD1 2.78Å; S131-D314 PolarHBondContact OG-OD2 3.31Å; W133-D314 HydrophobicContact CE3-CB 3.87Å; W133-D314 HydrophobicContact CZ3-CB 3.95Å; M134-D314 HydrophobicContact CE-CB 3.88Å; M134-D314 VanDerWaalsContact CE-OD1 3.28Å; M134-D314 WeakPolarHBondContact CE-OD1 3.43Å; P310-D314 HydrophobicContact CB-CB 4.21Å; H311-D314 WeakPolarHBondContact CB-OD2 3.37Å; H311-D314 PolarHBondContact N-OD2 2.7Å; H311-D314 WeakPolarHBondContact O-CB 3.45Å; H311-D314 PolarHBondContact O-N 2.66Å; I312-D314 PolarHBondContact O-N 3.48Å; D314-V316 PolarHBondContact O-N 2.92Å; D314-M317 PolarHBondContact O-N 2.93Å; D314-M317 VanDerWaalsContact O-N 3.11Å; D314-L318 PolarHBondContact O-N 2.68Å
315L88.9Confident91.6Very high8 Ų836.6 Ų36.64%0.04222%0.215CC..Hα-helixtrans-70.1-17.2178.4-62.5176.7000113.2P310 H311 I312 E313 F403 P405 Y415P310-L315 HydrophobicContact CB-CD2 3.88Å; P310-L315 HydrophobicContact CB-CG 4.08Å; P310-L315 HydrophobicContact CG-CD2 3.96Å; P310-L315 HydrophobicContact CG-CG 4.37Å; H311-L315 WeakPolarHBondContact O-CG 3.34Å; H311-L315 PolarHBondContact O-N 3.15Å; H311-L315 VanDerWaalsContact O-N 3.12Å; I312-L315 CarbonylContact O-C 3.5Å; I312-L315 PolarHBondContact O-N 3.42Å; E313-L315 VanDerWaalsContact C-N 3.31Å; E313-L315 PolarHBondContact O-N 2.87Å; L315-F403 WeakPolarHBondContact CB-O 3.43Å; L315-F403 WeakPolarHBondContact O-CA 3.43Å; L315-F403 WeakPolarHBondContact O-CB 3.4Å; L315-F403 VanDerWaalsContact O-CD2 3.24Å; L315-F403 WeakPolarHBondContact O-CD2 3.49Å; L315-F403 PolarHBondContact O-N 2.76Å; L315-P405 HydrophobicContact CD2-CG 4.26Å; L315-Y415 HydrophobicContact CD1-CE2 4.08Å; L315-Y415 VanDerWaalsContact CD1-OH 3.25Å; L315-Y415 WeakPolarHBondContact CD1-OH 3.32Å
316V90.1Very high91.3Very high64 Ų6432.8 Ų32.839%0.38819%0.187SC..Hα-helixtrans-85.4-31.4170.1170.10000111I312 E313 D314 Q386 T402 F403I312-V316 WeakPolarHBondContact O-CG2 3.11Å; I312-V316 PolarHBondContact O-N 2.65Å; E313-V316 PolarHBondContact O-N 3.26Å; D314-V316 PolarHBondContact O-N 2.92Å; V316-Q386 PolarHBondContact O-NE2 3.4Å; V316-T402 HydrophobicContact CG2-CG2 3.85Å; V316-F403 WeakPolarHBondContact O-CE2 3.4Å
317M91.4Very high90.8Very high34 Ų3435.2 Ų35.217%0.16720%0.2CC..Hα-helixtrans-87.7-28.2-173.5-72.9-171.2-71.900114.7L121 M134 E313 D314 P319L121-M317 HydrophobicContact CD2-CB 3.81Å; L121-M317 HydrophobicContact CD2-CG 4.47Å; L121-M317 HydrophobicContact CD2-SD 4.18Å; M134-M317 HydrophobicContact CE-CE 4.33Å; E313-M317 HydrophobicContact CB-CE 4.27Å; E313-M317 WeakPolarHBondContact O-CE 3.37Å; E313-M317 WeakPolarHBondContact O-CG 3.47Å; E313-M317 PolarHBondContact O-N 2.79Å; D314-M317 PolarHBondContact O-N 2.93Å; D314-M317 VanDerWaalsContact O-N 3.11Å; M317-P319 WeakPolarHBondContact O-CD 3.2Å
318L94.8Very high90.1Very high7 Ų729.8 Ų29.84%0.03717%0.165CC..SBendtrans-104.7104.4-178.6-62.6-174.2000111.5L121 W133 M134 W166 F173 D314 F403L121-L318 HydrophobicContact CD1-CD2 4.13Å; L121-L318 HydrophobicContact CD2-CD2 4.12Å; W133-L318 HydrophobicContact CH2-CD1 3.84Å; W133-L318 HydrophobicContact CZ3-CD1 3.59Å; M134-L318 HydrophobicContact CE-CD1 3.77Å; M134-L318 HydrophobicContact CE-CD2 4.12Å; M134-L318 HydrophobicContact CE-CG 3.74Å; M134-L318 HydrophobicContact SD-CD1 3.76Å; M134-L318 HydrophobicContact SD-CD2 4.03Å; M134-L318 HydrophobicContact SD-CG 4.1Å; W166-L318 HydrophobicContact CB-CD2 4.26Å; W166-L318 HydrophobicContact CD2-CB 4.37Å; W166-L318 HydrophobicContact CD2-CD1 4.24Å; W166-L318 HydrophobicContact CD2-CD2 3.93Å; W166-L318 HydrophobicContact CD2-CG 4.41Å; W166-L318 HydrophobicContact CE3-CD1 4.13Å; W166-L318 HydrophobicContact CE3-CD2 4.27Å; W166-L318 HydrophobicContact CG-CD2 3.93Å; W166-L318 HydrophobicContact CH2-CD1 3.96Å; W166-L318 HydrophobicContact CZ2-CB 4.13Å; W166-L318 HydrophobicContact CZ2-CD1 4.08Å; W166-L318 HydrophobicContact CZ3-CD1 4Å; F173-L318 HydrophobicContact CZ-CD2 4.17Å; D314-L318 PolarHBondContact O-N 2.68Å; L318-F403 VanDerWaalsContact O-CB 3.26Å; L318-F403 WeakPolarHBondContact O-CB 3.28Å; L318-F403 VanDerWaalsContact O-CD2 3.27Å; L318-F403 WeakPolarHBondContact O-CD2 3.2Å; L318-F403 WeakPolarHBondContact O-CG 3.47Å
319P95.4Very high89.5Confident2 Ų228 Ų281%0.01316%0.157CC..  trans-59.7143.5177.2-22.533.8000112.5D115 V116 W166 A168 M317 K383 F403D115-P319 HydrophobicContact CB-CG 4.38Å; V116-P319 HydrophobicContact CG2-CG 4.18Å; W166-P319 PolarHBondContact NE1-O 3.36Å; A168-P319 VanDerWaalsContact CA-O 3.26Å; A168-P319 WeakPolarHBondContact CA-O 3.34Å; A168-P319 HydrophobicContact CB-CB 4.04Å; A168-P319 WeakPolarHBondContact CB-O 3.36Å; M317-P319 WeakPolarHBondContact O-CD 3.2Å; P319-K383 HydrophobicContact CG-CD 4.17Å; P319-F403 HydrophobicContact CB-CD1 4.36Å; P319-F403 HydrophobicContact CB-CD2 4.45Å; P319-F403 HydrophobicContact CB-CE1 3.99Å; P319-F403 HydrophobicContact CB-CE2 4.09Å; P319-F403 HydrophobicContact CB-CZ 3.85Å; P319-F403 HydrophobicContact CG-CE2 4.03Å; P319-F403 HydrophobicContact CG-CZ 4.06Å
320T96.1Very high89Confident6 Ų626.7 Ų26.74%0.03714%0.139CC..  trans-139.3164166.8680000108.2V322 S382 F403 Y404T320-V322 PolarHBondContact O-N 3.01Å; T320-V322 VanDerWaalsContact O-N 3.13Å; T320-V322 PolarHBondContact OG1-N 3.03Å; T320-V322 PolarHBondContact OG1-O 3.41Å; T320-S382 WeakPolarHBondContact O-CB 3.24Å; T320-S382 PolarHBondContact O-OG 2.88Å; T320-F403 HydrophobicContact CG2-CB 4.39Å; T320-Y404 WeakPolarHBondContact CB-O 3.41Å; T320-Y404 PolarHBondContact OG1-N 3.36Å; T320-Y404 PolarHBondContact OG1-O 3.17Å
321P95.8Very high88.2Confident2 Ų229.7 Ų29.71%0.01315%0.154CC..SBendtrans-62.7-14.5173.9-26.637.4000114.4A168 E169 Y376 A379 L406A168-P321 WeakPolarHBondContact O-CD 3.46Å; E169-P321 WeakPolarHBondContact OE2-CG 3.3Å; P321-Y376 PolarHBondContact O-N 3.4Å; P321-A379 HydrophobicContact CG-CB 4.22Å; P321-L406 HydrophobicContact CG-CD2 4.13Å
322V96.7Very high87.5Confident0 Ų031.9 Ų31.90%017%0.168CC..EExtended strand (participates in β ladder)trans-102.5123.7-178.8-170.30000110.5T320 F373 V374 E375 F403 Y404 L406 Y409T320-V322 PolarHBondContact O-N 3.01Å; T320-V322 VanDerWaalsContact O-N 3.13Å; T320-V322 PolarHBondContact OG1-N 3.03Å; T320-V322 PolarHBondContact OG1-O 3.41Å; V322-F373 HydrophobicContact CG1-CB 4.46Å; V322-V374 CarbonylContact C-O 3.59Å; V322-V374 WeakPolarHBondContact CA-O 3.44Å; V322-E375 HydrophobicContact CG2-CB 4.2Å; V322-E375 HydrophobicContact CG2-CG 4.15Å; V322-F403 CarbonylContact O-C 3.58Å; V322-F403 WeakPolarHBondContact O-CA 3.5Å; V322-Y404 WeakPolarHBondContact CB-O 3.37Å; V322-Y404 PolarHBondContact O-N 3.1Å; V322-L406 HydrophobicContact CG2-CB 4.17Å; V322-L406 HydrophobicContact CG2-CD1 3.48Å; V322-L406 VanDerWaalsContact CG2-CD1 3.48Å; V322-L406 HydrophobicContact CG2-CG 4.46Å; V322-Y409 HydrophobicContact CG1-CD1 4.29Å; V322-Y409 HydrophobicContact CG1-CD2 4.02Å; V322-Y409 HydrophobicContact CG1-CE2 4.49Å; V322-Y409 HydrophobicContact CG1-CG 3.91Å; V322-Y409 HydrophobicContact CG2-CD1 3.85Å; V322-Y409 HydrophobicContact CG2-CG 4.03Å
323L95.8Very high87Confident0 Ų034.2 Ų34.20%018%0.176CC..EExtended strand (participates in β ladder)trans-99.5133.2171.1-165.765.7000109.5L325 F373 V374 Y376 A385 Q386 L389 A401 F403L323-L325 HydrophobicContact CD2-CD2 3.64Å; L323-L325 HydrophobicContact CG-CD2 3.92Å; L323-F373 CarbonylContact O-C 3.55Å; L323-F373 WeakPolarHBondContact O-CA 3.48Å; L323-V374 PolarHBondContact N-O 2.94Å; L323-V374 PolarHBondContact O-N 3.29Å; L323-Y376 HydrophobicContact CB-CE2 4.17Å; L323-Y376 HydrophobicContact CD2-CE2 4.49Å; L323-A385 HydrophobicContact CD2-CB 3.84Å; L323-Q386 HydrophobicContact CD1-CB 3.57Å; L323-Q386 HydrophobicContact CD1-CG 3.86Å; L323-L389 HydrophobicContact CD2-CD1 4.03Å; L323-A401 HydrophobicContact CD1-CB 3.99Å; L323-A401 HydrophobicContact CD2-CB 4.19Å; L323-A401 HydrophobicContact CG-CB 4.21Å; L323-F403 HydrophobicContact CD1-CD1 4.35Å
324R94.1Very high86.4Confident0 Ų028.9 Ų28.90%015%0.151CC..EExtended strand (participates in β ladder)trans-106.3123.3167.8178.3-174.765.3179-0.5109.2L326 V372 F373 A401 T402 Y404 T417R324-L326 HydrophobicContact CG-CD2 4.07Å; R324-V372 CarbonylContact C-O 3.54Å; R324-V372 WeakPolarHBondContact CA-O 3.31Å; R324-F373 HydrophobicContact CB-CD1 3.93Å; R324-F373 HydrophobicContact CB-CE1 3.95Å; R324-F373 HydrophobicContact CG-CD1 4Å; R324-F373 HydrophobicContact CG-CE1 3.65Å; R324-F373 HydrophobicContact CG-CZ 4.02Å; R324-A401 WeakPolarHBondContact O-CA 3.42Å; R324-T402 PolarHBondContact N-O 3.48Å; R324-T402 PolarHBondContact NE-OG1 3Å; R324-T402 PolarHBondContact NH2-OG1 2.99Å; R324-T402 PolarHBondContact O-N 3.45Å; R324-Y404 HydrophobicContact CB-CD2 4.27Å; R324-Y404 HydrophobicContact CB-CG 4.5Å; R324-T417 PolarHBondContact NH1-OG1 3.15Å; R324-T417 PolarHBondContact NH2-OG1 2.66Å
325L92.3Very high85.9Confident6 Ų636 Ų363%0.03118%0.184CC..EExtended strand (participates in β ladder)trans-100.7129.7173.7-50177.2000109.3L323 V328 V347 Q371 V372 L389 V399 A401L323-L325 HydrophobicContact CD2-CD2 3.64Å; L323-L325 HydrophobicContact CG-CD2 3.92Å; L325-V328 HydrophobicContact CB-CG2 3.46Å; L325-V328 VanDerWaalsContact CB-CG2 3.46Å; L325-V328 HydrophobicContact CD1-CG2 4.32Å; L325-V328 HydrophobicContact CG-CG2 4.5Å; L325-V347 HydrophobicContact CD1-CG1 4.2Å; L325-Q371 WeakPolarHBondContact O-CA 3.31Å; L325-V372 HydrophobicContact CB-CB 4.29Å; L325-V372 PolarHBondContact N-O 3.41Å; L325-V372 PolarHBondContact O-N 3.23Å; L325-L389 HydrophobicContact CD1-CD1 4.42Å; L325-L389 HydrophobicContact CD2-CD1 4.06Å; L325-V399 HydrophobicContact CB-CG1 4.44Å; L325-V399 HydrophobicContact CD2-CG1 4.25Å; L325-A401 HydrophobicContact CD2-CB 3.54Å
326L88.8Confident85.7Confident22 Ų2238.6 Ų38.612%0.11520%0.199CC..EExtended strand (participates in β ladder)trans-111.6153.8175.5-53171.6000109.1I312 R324 V328 Q371 V400I312-L326 HydrophobicContact CD1-CD1 4.35Å; R324-L326 HydrophobicContact CG-CD2 4.07Å; L326-V328 VanDerWaalsContact C-N 3.26Å; L326-V328 PolarHBondContact O-N 3.37Å; L326-Q371 HydrophobicContact CD2-CB 4.32Å; L326-Q371 HydrophobicContact CD2-CG 3.67Å; L326-V400 HydrophobicContact CB-CB 4.2Å; L326-V400 HydrophobicContact CD1-CB 4.4Å; L326-V400 HydrophobicContact CD1-CG1 4.28Å; L326-V400 PolarHBondContact N-O 2.96Å; L326-V400 PolarHBondContact O-N 3.13Å
327N84.3Confident85.5Confident86 Ų8641 Ų4146%0.4621%0.205SC..SBendtrans59.133.7-180-51.1-29.8000113.7K397 F398N327-K397 HydrophobicContact CB-CB 4.34Å; N327-F398 WeakPolarHBondContact CB-O 3.46Å; N327-F398 PolarHBondContact ND2-O 3.17Å
328V77.8Confident85.2Confident9 Ų945.9 Ų45.96%0.05523%0.228CC..  trans-94.5-28.6176.7-172.60000111.4L325 L326 V347 V372 F394 V399L325-V328 HydrophobicContact CB-CG2 3.46Å; L325-V328 VanDerWaalsContact CB-CG2 3.46Å; L325-V328 HydrophobicContact CD1-CG2 4.32Å; L325-V328 HydrophobicContact CG-CG2 4.5Å; L326-V328 VanDerWaalsContact C-N 3.26Å; L326-V328 PolarHBondContact O-N 3.37Å; V328-V347 HydrophobicContact CG1-CG2 4.17Å; V328-V372 HydrophobicContact CB-CG2 4.36Å; V328-F394 HydrophobicContact CG1-CD1 3.99Å; V328-F394 HydrophobicContact CG1-CE1 4.07Å; V328-F394 HydrophobicContact CG1-CG 4.33Å; V328-F394 HydrophobicContact CG1-CZ 4.49Å; V328-F394 WeakPolarHBondContact O-CD1 3.45Å; V328-F394 WeakPolarHBondContact O-CE1 3.48Å; V328-V399 HydrophobicContact CG2-CG1 3.98Å; V328-V399 HydrophobicContact CG2-CG2 4.18Å
329L78.1Confident84.7Confident12 Ų1248.9 Ų48.96%0.06324%0.242CC..  trans-120.9140.7-171-53-177.4000111.6L334 V343 V362 V372L329-L334 HydrophobicContact CD1-CD2 4.13Å; L329-V343 HydrophobicContact CD1-CG1 4.2Å; L329-V343 HydrophobicContact CD2-CB 4.4Å; L329-V343 HydrophobicContact CD2-CG1 3.17Å; L329-V343 HydrophobicContact CD2-CG2 4.34Å; L329-V343 HydrophobicContact CG-CG1 4.33Å; L329-V362 HydrophobicContact CD1-CG1 3.34Å; L329-V372 HydrophobicContact CD1-CG2 3.82Å; L329-V372 HydrophobicContact CG-CG2 4.09Å
330D74.6Confident84.2Confident55 Ų5551.1 Ų51.129%0.29425%0.25SS..  trans-82.9150.4156.9-83-68.9000111.2D332 Y333 K397D330-D332 PolarHBondContact O-N 3.08Å; D330-Y333 HydrophobicContact CB-CD2 3.71Å; D330-Y333 HydrophobicContact CB-CE2 3.68Å; D330-Y333 PolarHBondContact O-N 3.37Å; D330-K397 IonicContact OD1-NZ 2.68Å; D330-K397 PolarHBondContact OD1-NZ 3.37Å; D330-K397 IonicContact OD2-NZ 2.83Å; D330-K397 PolarHBondContact OD2-NZ 3Å
331D71Confident83.8Confident82 Ų8256.6 Ų56.644%0.43928%0.276SS..G310 helixtrans-62.9-24.7-176.6-85.4-35.3000112.9L334 R369D331-L334 PolarHBondContact O-N 3.17Å; D331-R369 PolarHBondContact O-NH2 2.94Å; D331-R369 IonicContact OD1-CZ 2.75Å; D331-R369 IonicContact OD1-NE 3.47Å; D331-R369 PolarHBondContact OD1-NE 3.1Å; D331-R369 IonicContact OD1-NH2 3.34Å
332D72.2Confident83.4Confident122 Ų12260.8 Ų60.865%0.65230%0.298SS*.G310 helixtrans-68.9-36.1-178.2-63.1-18.1000111.8D330 L334 E335D330-D332 PolarHBondContact O-N 3.08Å; D332-L334 PolarHBondContact O-N 3.21Å; D332-L334 VanDerWaalsContact O-N 3.1Å; D332-E335 PolarHBondContact O-N 3.26Å
333Y72.3Confident82.8Confident74 Ų7461.6 Ų61.629%0.2930%0.303SS..G310 helixtrans-65-16178.6-60.6-66.6000113.2D330 E339 Y340 V343 D395D330-Y333 HydrophobicContact CB-CD2 3.71Å; D330-Y333 HydrophobicContact CB-CE2 3.68Å; D330-Y333 PolarHBondContact O-N 3.37Å; Y333-E339 HydrophobicContact CD1-CB 4.23Å; Y333-Y340 PolarHBondContact O-N 2.91Å; Y333-V343 HydrophobicContact CD1-CG2 4.37Å; Y333-V343 HydrophobicContact CG-CG2 4.26Å; Y333-D395 PolarHBondContact OH-OD2 3.14Å
334L75.1Confident82.4Confident12 Ų1263.2 Ų63.26%0.06331%0.313CS..G310 helixtrans-87.9-12.9-177.6-62.1176.3000113.1L329 D331 D332 Y340 V362 R369L329-L334 HydrophobicContact CD1-CD2 4.13Å; D331-L334 PolarHBondContact O-N 3.17Å; D332-L334 PolarHBondContact O-N 3.21Å; D332-L334 VanDerWaalsContact O-N 3.1Å; L334-Y340 HydrophobicContact CD2-CD2 3.94Å; L334-Y340 HydrophobicContact CD2-CE2 4.16Å; L334-V362 HydrophobicContact CD2-CG1 3.89Å; L334-R369 HydrophobicContact CD1-CG 3.65Å
335E78.7Confident82.2Confident152 Ų15269.1 Ų69.171%0.7134%0.34SS*.THydrogen-bonded Turntrans-94.5-24.4-176.7-60.6-170.517500112.9D332 R369D332-E335 PolarHBondContact O-N 3.26Å; E335-R369 IonicContact OE1-NH2 3.59Å
336N84.9Confident82.1Confident64 Ų6473.3 Ų73.334%0.34236%0.362SS..  trans-99.5123.3175.5-177.7-10.1000110.5E338 E339 Y340N336-E338 PolarHBondContact O-N 3.46Å; N336-E338 PolarHBondContact OD1-N 2.94Å; N336-E339 HydrophobicContact CB-CB 4.04Å; N336-E339 HydrophobicContact CB-CG 4.08Å; N336-E339 PolarHBondContact ND2-OE1 3.33Å; N336-E339 PolarHBondContact O-N 3.26Å; N336-Y340 WeakPolarHBondContact O-CB 3.49Å; N336-Y340 PolarHBondContact O-N 3.27Å
337E84.8Confident82.1Confident113 Ų11372.6 Ų72.653%0.52836%0.359SS..Hα-helixtrans-64.4-35.2-178.9-70.7-65.2162.600113.2Y340 E341 K364E337-Y340 PolarHBondContact O-N 2.79Å; E337-E341 WeakPolarHBondContact O-CG 3.42Å; E337-E341 PolarHBondContact O-N 2.66Å; E337-K364 IonicContact OE1-NZ 2.68Å; E337-K364 PolarHBondContact OE1-NZ 3.27Å; E337-K364 IonicContact OE2-NZ 3.44Å; E337-K364 PolarHBondContact OE2-NZ 3.25Å
338E85.6Confident82.5Confident138 Ų13873 Ų7365%0.64536%0.357SS*.Hα-helixtrans-68.4-45.8179.1-169.2173.3-169.500110.4N336 Y340 E341 D342N336-E338 PolarHBondContact O-N 3.46Å; N336-E338 PolarHBondContact OD1-N 2.94Å; E338-Y340 VanDerWaalsContact C-N 3.33Å; E338-Y340 PolarHBondContact O-N 3.47Å; E338-E341 PolarHBondContact O-N 3.29Å; E338-D342 PolarHBondContact O-N 2.91Å
339E83.9Confident83.2Confident70 Ų7078.4 Ų78.433%0.32738%0.381SS..Hα-helixtrans-65.2-36.2175.6-69.4171.5-149.100112.4Y333 N336 V343Y333-E339 HydrophobicContact CD1-CB 4.23Å; N336-E339 HydrophobicContact CB-CB 4.04Å; N336-E339 HydrophobicContact CB-CG 4.08Å; N336-E339 PolarHBondContact ND2-OE1 3.33Å; N336-E339 PolarHBondContact O-N 3.26Å; E339-V343 WeakPolarHBondContact O-CB 3.48Å; E339-V343 VanDerWaalsContact O-CG2 3.27Å; E339-V343 WeakPolarHBondContact O-CG2 3.36Å; E339-V343 PolarHBondContact O-N 3.48Å
340Y85.9Confident83.8Confident48 Ų4880.3 Ų80.319%0.18839%0.39CS..Hα-helixtrans-63.7-45.5175.1176.7-94.4000111.7Y333 L334 N336 E337 E338 V344 V362 K364Y333-Y340 PolarHBondContact O-N 2.91Å; L334-Y340 HydrophobicContact CD2-CD2 3.94Å; L334-Y340 HydrophobicContact CD2-CE2 4.16Å; N336-Y340 WeakPolarHBondContact O-CB 3.49Å; N336-Y340 PolarHBondContact O-N 3.27Å; E337-Y340 PolarHBondContact O-N 2.79Å; E338-Y340 VanDerWaalsContact C-N 3.33Å; E338-Y340 PolarHBondContact O-N 3.47Å; Y340-V344 HydrophobicContact CD1-CG2 4.33Å; Y340-V344 HydrophobicContact CE1-CG2 3.92Å; Y340-V344 HydrophobicContact CE2-CG2 4.29Å; Y340-V344 WeakPolarHBondContact O-CB 3.47Å; Y340-V344 VanDerWaalsContact O-CG2 3.26Å; Y340-V344 WeakPolarHBondContact O-CG2 3.39Å; Y340-V344 PolarHBondContact O-N 3.31Å; Y340-V362 HydrophobicContact CE2-CB 3.89Å; Y340-V362 HydrophobicContact CE2-CG1 3.83Å; Y340-V362 PolarHBondContact OH-O 2.94Å; Y340-K364 HydrophobicContact CD2-CD 4.46Å; Y340-K364 VanDerWaalsContact CD2-CE 3.45Å; Y340-K364 HydrophobicContact CD2-CG 4.2Å; Y340-K364 HydrophobicContact CE2-CD 4.29Å; Y340-K364 HydrophobicContact CE2-CG 3.8Å
341E87.6Confident84.7Confident122 Ų12277.7 Ų77.757%0.5738%0.376SS*.Hα-helixtrans-62.9-46.6177.4-75.4-179176.300111.1E337 E338 V343 V344 E345E337-E341 WeakPolarHBondContact O-CG 3.42Å; E337-E341 PolarHBondContact O-N 2.66Å; E338-E341 PolarHBondContact O-N 3.29Å; E341-V343 PolarHBondContact O-N 3.06Å; E341-V344 PolarHBondContact O-N 3.25Å; E341-V344 VanDerWaalsContact O-N 3.17Å; E341-E345 WeakPolarHBondContact O-CG 3.43Å; E341-E345 PolarHBondContact O-N 3.43Å
342D86.9Confident85.8Confident90 Ų9078.5 Ų78.548%0.48138%0.377SS..Hα-helixtrans-56.9-48.4177.6-75.4-13.1000111.8E338 V344 E345 D346E338-D342 PolarHBondContact O-N 2.91Å; D342-V344 VanDerWaalsContact C-N 3.33Å; D342-V344 PolarHBondContact O-N 3.36Å; D342-E345 PolarHBondContact O-N 2.95Å; D342-D346 WeakPolarHBondContact O-CB 3.39Å; D342-D346 PolarHBondContact O-N 3.34Å
343V83.8Confident86.8Confident17 Ų1779.6 Ų79.610%0.10338%0.376CS..Hα-helixtrans-60.1-43.4177.4159.60000111.9L329 Y333 E339 E341 E345 D346 V347L329-V343 HydrophobicContact CD1-CG1 4.2Å; L329-V343 HydrophobicContact CD2-CB 4.4Å; L329-V343 HydrophobicContact CD2-CG1 3.17Å; L329-V343 HydrophobicContact CD2-CG2 4.34Å; L329-V343 HydrophobicContact CG-CG1 4.33Å; Y333-V343 HydrophobicContact CD1-CG2 4.37Å; Y333-V343 HydrophobicContact CG-CG2 4.26Å; E339-V343 WeakPolarHBondContact O-CB 3.48Å; E339-V343 VanDerWaalsContact O-CG2 3.27Å; E339-V343 WeakPolarHBondContact O-CG2 3.36Å; E339-V343 PolarHBondContact O-N 3.48Å; E341-V343 PolarHBondContact O-N 3.06Å; V343-E345 VanDerWaalsContact C-N 3.32Å; V343-D346 PolarHBondContact O-N 3.46Å; V343-V347 VanDerWaalsContact O-CG2 3.31Å; V343-V347 WeakPolarHBondContact O-CG2 3.37Å; V343-V347 PolarHBondContact O-N 2.92Å
344V88.1Confident87.8Confident34 Ų3477.7 Ų77.721%0.20637%0.369CS..Hα-helixtrans-64.4-41180163.10000110.5Y340 E341 D342 K348 L360 V362Y340-V344 HydrophobicContact CD1-CG2 4.33Å; Y340-V344 HydrophobicContact CE1-CG2 3.92Å; Y340-V344 HydrophobicContact CE2-CG2 4.29Å; Y340-V344 WeakPolarHBondContact O-CB 3.47Å; Y340-V344 VanDerWaalsContact O-CG2 3.26Å; Y340-V344 WeakPolarHBondContact O-CG2 3.39Å; Y340-V344 PolarHBondContact O-N 3.31Å; E341-V344 PolarHBondContact O-N 3.25Å; E341-V344 VanDerWaalsContact O-N 3.17Å; D342-V344 VanDerWaalsContact C-N 3.33Å; D342-V344 PolarHBondContact O-N 3.36Å; V344-K348 VanDerWaalsContact O-CB 3.22Å; V344-K348 WeakPolarHBondContact O-CB 3.44Å; V344-K348 PolarHBondContact O-N 2.93Å; V344-K348 VanDerWaalsContact O-N 3.09Å; V344-L360 HydrophobicContact CG1-CD2 3.88Å; V344-L360 HydrophobicContact CG2-CD2 4.33Å; V344-V362 HydrophobicContact CG2-CB 4.24Å; V344-V362 HydrophobicContact CG2-CG2 3.82Å
345E90.5Very high88.6Confident123 Ų12377.7 Ų77.758%0.57537%0.372SS*.Hα-helixtrans-65.3-48.3175.1-69-159.6150.500111.7E341 D342 V343 V347 K348 E349E341-E345 WeakPolarHBondContact O-CG 3.43Å; E341-E345 PolarHBondContact O-N 3.43Å; D342-E345 PolarHBondContact O-N 2.95Å; V343-E345 VanDerWaalsContact C-N 3.32Å; E345-V347 PolarHBondContact O-N 3.33Å; E345-K348 WeakPolarHBondContact O-CB 3.39Å; E345-K348 PolarHBondContact O-N 2.94Å; E345-K348 VanDerWaalsContact O-N 3.11Å; E345-E349 WeakPolarHBondContact O-CG 3.49Å; E345-E349 PolarHBondContact O-N 3.45Å
346D88.8Confident89.2Confident94 Ų9474.3 Ų74.350%0.50336%0.363SS..Hα-helixtrans-57.9-47.7178.9-85-8.1000112.4D342 V343 K348 E349 E350D342-D346 WeakPolarHBondContact O-CB 3.39Å; D342-D346 PolarHBondContact O-N 3.34Å; V343-D346 PolarHBondContact O-N 3.46Å; D346-K348 VanDerWaalsContact C-N 3.3Å; D346-K348 PolarHBondContact O-N 3.29Å; D346-E349 PolarHBondContact O-N 3.35Å; D346-E350 WeakPolarHBondContact O-CB 3.49Å; D346-E350 PolarHBondContact O-N 3.48Å
347V88.8Confident89.7Confident7 Ų772.6 Ų72.64%0.04236%0.355CS..Hα-helixtrans-65.4-38.3178.5177.90000110.6L325 V328 V343 E345 C351 L360 V372 V374L325-V347 HydrophobicContact CD1-CG1 4.2Å; V328-V347 HydrophobicContact CG1-CG2 4.17Å; V343-V347 VanDerWaalsContact O-CG2 3.31Å; V343-V347 WeakPolarHBondContact O-CG2 3.37Å; V343-V347 PolarHBondContact O-N 2.92Å; E345-V347 PolarHBondContact O-N 3.33Å; V347-C351 VanDerWaalsContact O-CB 3.22Å; V347-C351 WeakPolarHBondContact O-CB 3.17Å; V347-C351 PolarHBondContact O-N 3.16Å; V347-C351 PolarHBondContact O-SG 3.4Å; V347-L360 HydrophobicContact CB-CD1 4.26Å; V347-L360 HydrophobicContact CG1-CD1 3.95Å; V347-V372 HydrophobicContact CG1-CG1 3.79Å; V347-V374 HydrophobicContact CG1-CG2 4.46Å
348K92.5Very high90.1Very high96 Ų9671.5 Ų71.542%0.41736%0.355SS..Hα-helixtrans-64.4-47.6177.3-173.4179.4178.1-174.90111.2V344 E345 D346 C351 Q352 L360V344-K348 VanDerWaalsContact O-CB 3.22Å; V344-K348 WeakPolarHBondContact O-CB 3.44Å; V344-K348 PolarHBondContact O-N 2.93Å; V344-K348 VanDerWaalsContact O-N 3.09Å; E345-K348 WeakPolarHBondContact O-CB 3.39Å; E345-K348 PolarHBondContact O-N 2.94Å; E345-K348 VanDerWaalsContact O-N 3.11Å; D346-K348 VanDerWaalsContact C-N 3.3Å; D346-K348 PolarHBondContact O-N 3.29Å; K348-C351 PolarHBondContact O-N 3.39Å; K348-Q352 HydrophobicContact CG-CG 4.48Å; K348-Q352 WeakPolarHBondContact O-CB 2.89Å; K348-Q352 WeakPolarHBondContact O-CG 3.49Å; K348-Q352 PolarHBondContact O-N 2.89Å; K348-L360 HydrophobicContact CB-CD1 4.03Å
349E92.8Very high90.6Very high122 Ų12266.7 Ų66.757%0.5734%0.337SS*.Hα-helixtrans-61.2-43.7177.9-73.2-164.5168.600111.9E345 D346 Q352E345-E349 WeakPolarHBondContact O-CG 3.49Å; E345-E349 PolarHBondContact O-N 3.45Å; D346-E349 PolarHBondContact O-N 3.35Å; E349-Q352 PolarHBondContact O-N 2.88Å
350E90.9Very high91.1Very high51 Ų5165.3 Ų65.324%0.23833%0.332CS..Hα-helixtrans-64.5-43.6177.1-17362.3-157.100111.3D346 K353 Y354 L389 R392D346-E350 WeakPolarHBondContact O-CB 3.49Å; D346-E350 PolarHBondContact O-N 3.48Å; E350-K353 WeakPolarHBondContact O-CB 3.39Å; E350-K353 PolarHBondContact O-N 3.35Å; E350-K353 WeakPolarHBondContact OE2-CE 3.21Å; E350-K353 IonicContact OE2-NZ 2.68Å; E350-K353 PolarHBondContact OE2-NZ 3.02Å; E350-Y354 WeakPolarHBondContact O-CE2 3.38Å; E350-L389 HydrophobicContact CG-CD2 4.18Å; E350-R392 IonicContact OE1-CZ 2.92Å; E350-R392 IonicContact OE1-NH1 2.71Å; E350-R392 PolarHBondContact OE1-NH1 3.41Å
351C93.1Very high91.5Very high1 Ų166 Ų661%0.00734%0.338CS..Hα-helixtrans-68.7-34.4-179.7-72.60000113V347 K348 K353 Y354 V357 V374 Y376V347-C351 VanDerWaalsContact O-CB 3.22Å; V347-C351 WeakPolarHBondContact O-CB 3.17Å; V347-C351 PolarHBondContact O-N 3.16Å; V347-C351 PolarHBondContact O-SG 3.4Å; K348-C351 PolarHBondContact O-N 3.39Å; C351-K353 PolarHBondContact O-N 3.27Å; C351-K353 VanDerWaalsContact O-N 3.11Å; C351-Y354 WeakPolarHBondContact O-CD2 3.09Å; C351-Y354 PolarHBondContact O-N 3.49Å; C351-V357 HydrophobicContact CB-CG2 3.9Å; C351-V374 HydrophobicContact CB-CG1 4.02Å; C351-Y376 VanDerWaalsContact CB-OH 3.23Å; C351-Y376 WeakPolarHBondContact CB-OH 3.28Å; C351-Y376 WeakPolarHBondContact O-CE1 3.49Å; C351-Y376 PolarHBondContact O-OH 2.9Å
352Q95Very high91.7Very high99 Ų9960.3 Ų60.346%0.46331%0.312SS..Hα-helixtrans-62.4-17.3177.3-80177.9-13.900113.6K348 E349 Y354 V357K348-Q352 HydrophobicContact CG-CG 4.48Å; K348-Q352 WeakPolarHBondContact O-CB 2.89Å; K348-Q352 WeakPolarHBondContact O-CG 3.49Å; K348-Q352 PolarHBondContact O-N 2.89Å; E349-Q352 PolarHBondContact O-N 2.88Å; Q352-Y354 PolarHBondContact O-N 3.05Å; Q352-V357 HydrophobicContact CG-CB 4.29Å; Q352-V357 HydrophobicContact CG-CG2 3.9Å
353K93.6Very high91.8Very high144 Ų14456.7 Ų56.763%0.62629%0.294SS*.THydrogen-bonded Turntrans-66.1-22.2174.1-62.5171.5-173.3171.50112.9E350 C351E350-K353 WeakPolarHBondContact O-CB 3.39Å; E350-K353 PolarHBondContact O-N 3.35Å; E350-K353 WeakPolarHBondContact OE2-CE 3.21Å; E350-K353 IonicContact OE2-NZ 2.68Å; E350-K353 PolarHBondContact OE2-NZ 3.02Å; C351-K353 PolarHBondContact O-N 3.27Å; C351-K353 VanDerWaalsContact O-N 3.11Å
354Y93.1Very high91.9Very high34 Ų3459.2 Ų59.213%0.13330%0.303CS..THydrogen-bonded Turntrans-97.3-28.7-177.4-54.9-72.9000113.4E350 C351 Q352 A385 L388 L389 R392E350-Y354 WeakPolarHBondContact O-CE2 3.38Å; C351-Y354 WeakPolarHBondContact O-CD2 3.09Å; C351-Y354 PolarHBondContact O-N 3.49Å; Q352-Y354 PolarHBondContact O-N 3.05Å; Y354-A385 HydrophobicContact CD1-CB 4.36Å; Y354-A385 HydrophobicContact CD2-CB 3.67Å; Y354-A385 HydrophobicContact CE2-CB 4.33Å; Y354-A385 HydrophobicContact CG-CB 3.68Å; Y354-L388 HydrophobicContact CD1-CB 4.5Å; Y354-L388 HydrophobicContact CD1-CD1 3.94Å; Y354-L388 HydrophobicContact CE1-CB 3.56Å; Y354-L388 HydrophobicContact CE1-CD1 3.47Å; Y354-L388 VanDerWaalsContact CE1-CD1 3.47Å; Y354-L388 HydrophobicContact CE1-CG 4.13Å; Y354-L389 HydrophobicContact CE2-CD1 3.97Å; Y354-L389 HydrophobicContact CE2-CD2 3.85Å; Y354-L389 HydrophobicContact CE2-CG 3.81Å; Y354-L389 WeakPolarHBondContact OH-CD2 3.49Å; Y354-R392 VanDerWaalsContact OH-CZ 3.29Å; Y354-R392 PolarHBondContact OH-NH1 3.11Å; Y354-R392 PolarHBondContact OH-NH2 2.98Å
355G91.1Very high91.8Very high13 Ų1365 Ų6513%0.13433%0.328CS..SBendtrans171.7176.9177.400000112.4V357G355-V357 PolarHBondContact O-N 2.74Å
356P91.8Very high91.5Very high81 Ų8164.1 Ų64.153%0.52633%0.327SS..  trans-64120.9-180-18.932.3000111.3Y376 A377 D381P356-Y376 WeakPolarHBondContact O-CA 3.42Å; P356-A377 HydrophobicContact CB-CB 4.13Å; P356-A377 HydrophobicContact CG-CB 4.46Å; P356-A377 PolarHBondContact O-N 3Å; P356-D381 WeakPolarHBondContact CD-OD2 3.5Å
357V94.8Very high91.2Very high28 Ų2862.8 Ų62.817%0.1732%0.323CS..EExtended strand (participates in β ladder)trans-83.8121.3172.8176.80000108.9C351 Q352 G355 L360 V374 Y376C351-V357 HydrophobicContact CB-CG2 3.9Å; Q352-V357 HydrophobicContact CG-CB 4.29Å; Q352-V357 HydrophobicContact CG-CG2 3.9Å; G355-V357 PolarHBondContact O-N 2.74Å; V357-L360 HydrophobicContact CG1-CB 4.48Å; V357-V374 HydrophobicContact CB-CG1 4.5Å; V357-V374 HydrophobicContact CG1-CG1 3.84Å; V357-V374 HydrophobicContact CG2-CG1 3.92Å; V357-Y376 HydrophobicContact CG2-CD1 4.49Å; V357-Y376 HydrophobicContact CG2-CE1 4.16Å
358V94.6Very high90.9Very high89 Ų8962.5 Ų62.554%0.53932%0.322SS..EExtended strand (participates in β ladder)trans-84-46.1178.5175.10000110.4E375 A377V358-E375 HydrophobicContact CB-CB 4.43Å; V358-E375 HydrophobicContact CB-CG 4.17Å; V358-E375 PolarHBondContact N-O 3.36Å; V358-A377 HydrophobicContact CG2-CB 4.07Å
359S95.4Very high90.6Very high37 Ų3762 Ų6226%0.25932%0.318SS..EExtended strand (participates in β ladder)trans-151.3157.8175.665.50000111.3E375 Y409S359-E375 PolarHBondContact N-O 3.22Å; S359-E375 PolarHBondContact O-N 2.9Å; S359-E375 WeakPolarHBondContact OG-CB 3.31Å; S359-E375 PolarHBondContact OG-OE2 3.25Å; S359-Y409 VanDerWaalsContact OG-CE1 3.29Å; S359-Y409 WeakPolarHBondContact OG-CE1 3.49Å; S359-Y409 PolarHBondContact OG-OH 3.23Å
360L94.9Very high90.2Very high41 Ų4156.8 Ų56.822%0.21530%0.297CS..EExtended strand (participates in β ladder)trans-137.5136.4176.8179.2152.9000108.4V344 V347 K348 V357 V362 V372 F373 V374V344-L360 HydrophobicContact CG1-CD2 3.88Å; V344-L360 HydrophobicContact CG2-CD2 4.33Å; V347-L360 HydrophobicContact CB-CD1 4.26Å; V347-L360 HydrophobicContact CG1-CD1 3.95Å; K348-L360 HydrophobicContact CB-CD1 4.03Å; V357-L360 HydrophobicContact CG1-CB 4.48Å; L360-V362 HydrophobicContact CD2-CG2 3.76Å; L360-V372 HydrophobicContact CD1-CG1 4.45Å; L360-V372 HydrophobicContact CG-CG1 4.27Å; L360-F373 CarbonylContact C-O 3.59Å; L360-F373 VanDerWaalsContact CA-O 3.32Å; L360-F373 WeakPolarHBondContact CA-O 3.36Å; L360-V374 HydrophobicContact CD1-CG2 4.22Å; L360-V374 HydrophobicContact CG-CG2 4.43Å
361L93.3Very high90.1Very high63 Ų6355.5 Ų55.533%0.3329%0.291SS..EExtended strand (participates in β ladder)trans-132.6125.5179.9175.966.7000110P363 F373 Y409 L414L361-P363 HydrophobicContact CG-CG 4.29Å; L361-F373 HydrophobicContact CB-CB 4.28Å; L361-F373 PolarHBondContact N-O 3.16Å; L361-F373 PolarHBondContact O-N 3.19Å; L361-Y409 HydrophobicContact CB-CE2 3.85Å; L361-Y409 HydrophobicContact CD2-CE2 3.93Å; L361-L414 HydrophobicContact CD2-CD1 4.13Å; L361-L414 HydrophobicContact CD2-CD2 4.25Å
362V91.9Very high90.1Very high3 Ų355.5 Ų55.52%0.01829%0.291CS..  trans-121.2100.2171.4-176.80000107.9L329 L334 Y340 V344 L360 K364 V372L329-V362 HydrophobicContact CD1-CG1 3.34Å; L334-V362 HydrophobicContact CD2-CG1 3.89Å; Y340-V362 HydrophobicContact CE2-CB 3.89Å; Y340-V362 HydrophobicContact CE2-CG1 3.83Å; Y340-V362 PolarHBondContact OH-O 2.94Å; V344-V362 HydrophobicContact CG2-CB 4.24Å; V344-V362 HydrophobicContact CG2-CG2 3.82Å; L360-V362 HydrophobicContact CD2-CG2 3.76Å; V362-K364 PolarHBondContact O-N 3.23Å; V362-V372 HydrophobicContact CG2-CB 4.37Å; V362-V372 HydrophobicContact CG2-CG1 3.82Å; V362-V372 HydrophobicContact CG2-CG2 4Å
363P89.4Confident90.1Very high14 Ų1450.8 Ų50.89%0.09127%0.269CS..  trans-68.1128.3-179.9-18.132.4000111.5L361 G368 Q371 F373 L414L361-P363 HydrophobicContact CG-CG 4.29Å; P363-G368 WeakPolarHBondContact CG-O 3.41Å; P363-Q371 WeakPolarHBondContact CD-O 3.07Å; P363-F373 HydrophobicContact CG-CD2 4.31Å; P363-F373 HydrophobicContact CG-CE2 4.01Å; P363-L414 HydrophobicContact CB-CD1 4.16Å; P363-L414 HydrophobicContact CG-CD1 3.48Å; P363-L414 VanDerWaalsContact CG-CD1 3.48Å
364K86.8Confident90.2Very high69 Ų6943.9 Ų43.930%0.324%0.239SC..SBendtrans-79.3-22.7172.6-66.9-177.1173.5176.50112.6E337 Y340 V362E337-K364 IonicContact OE1-NZ 2.68Å; E337-K364 PolarHBondContact OE1-NZ 3.27Å; E337-K364 IonicContact OE2-NZ 3.44Å; E337-K364 PolarHBondContact OE2-NZ 3.25Å; Y340-K364 HydrophobicContact CD2-CD 4.46Å; Y340-K364 VanDerWaalsContact CD2-CE 3.45Å; Y340-K364 HydrophobicContact CD2-CG 4.2Å; Y340-K364 HydrophobicContact CE2-CD 4.29Å; Y340-K364 HydrophobicContact CE2-CG 3.8Å; V362-K364 PolarHBondContact O-N 3.23Å
365E85.3Confident90.4Very high156 Ų15643 Ų4373%0.72924%0.236SC*.SBendtrans-122.8166.8-177.2-64.6-174.3-178.300112.2R369E365-R369 PolarHBondContact O-N 2.89Å
366N83.3Confident90.6Very high105 Ų10542.5 Ų42.556%0.56123%0.23SC*.SBendtrans-76.6147.1172.1-75-49.4000111.2R369N366-R369 WeakPolarHBondContact OD1-CB 3.2Å
367P83.9Confident90.5Very high65 Ų6541.1 Ų41.142%0.42223%0.225SC..SBendcis-78.8145.5-330-32.6000113L414P367-L414 HydrophobicContact CB-CB 4.46Å; P367-L414 WeakPolarHBondContact CB-O 3.44Å; P367-L414 HydrophobicContact CG-CB 4.2Å; P367-L414 WeakPolarHBondContact CG-O 3.44Å; P367-L414 WeakPolarHBondContact O-CD1 3.16Å
368G82.8Confident90.3Very high2 Ų241 Ų412%0.02122%0.224CC..SBendtrans102.83.117500000115.5P363 G370 Q371P363-G368 WeakPolarHBondContact CG-O 3.41Å; G368-G370 PolarHBondContact O-N 3.15Å; G368-Q371 VanDerWaalsContact O-CB 3.3Å; G368-Q371 WeakPolarHBondContact O-CB 3.23Å; G368-Q371 PolarHBondContact O-N 3.07Å
369R85.7Confident90.1Very high85 Ų8536.9 Ų36.932%0.32120%0.199SC..THydrogen-bonded Turntrans-50.8134.3170.2-173.1177.3170.21527.3110.5D331 L334 E335 E365 N366 Q371D331-R369 PolarHBondContact O-NH2 2.94Å; D331-R369 IonicContact OD1-CZ 2.75Å; D331-R369 IonicContact OD1-NE 3.47Å; D331-R369 PolarHBondContact OD1-NE 3.1Å; D331-R369 IonicContact OD1-NH2 3.34Å; L334-R369 HydrophobicContact CD1-CG 3.65Å; E335-R369 IonicContact OE1-NH2 3.59Å; E365-R369 PolarHBondContact O-N 2.89Å; N366-R369 WeakPolarHBondContact OD1-CB 3.2Å; R369-Q371 VanDerWaalsContact C-N 3.26Å; R369-Q371 PolarHBondContact O-N 3.37Å
370G83.4Confident89.9Confident13 Ų1336.2 Ų36.213%0.13420%0.198CC..THydrogen-bonded Turntrans75.96.1-178.500000115.3G368G368-G370 PolarHBondContact O-N 3.15Å
371Q89.7Confident89.8Confident24 Ų2435.3 Ų35.311%0.11219%0.194CC..  trans-109.7149.5176.4-51.2-177.2-12.400110.4L325 L326 P363 G368 R369 F373L325-Q371 WeakPolarHBondContact O-CA 3.31Å; L326-Q371 HydrophobicContact CD2-CB 4.32Å; L326-Q371 HydrophobicContact CD2-CG 3.67Å; P363-Q371 WeakPolarHBondContact CD-O 3.07Å; G368-Q371 VanDerWaalsContact O-CB 3.3Å; G368-Q371 WeakPolarHBondContact O-CB 3.23Å; G368-Q371 PolarHBondContact O-N 3.07Å; R369-Q371 VanDerWaalsContact C-N 3.26Å; R369-Q371 PolarHBondContact O-N 3.37Å; Q371-F373 HydrophobicContact CB-CE2 3.77Å; Q371-F373 HydrophobicContact CB-CZ 4.14Å; Q371-F373 VanDerWaalsContact OE1-CZ 3.29Å
372V92.5Very high89.8Confident0 Ų032.3 Ų32.30%018%0.178CC..EExtended strand (participates in β ladder)trans-119.7131.8174.1-172.80000109.8R324 L325 V328 L329 V347 L360 V362 V374R324-V372 CarbonylContact C-O 3.54Å; R324-V372 WeakPolarHBondContact CA-O 3.31Å; L325-V372 HydrophobicContact CB-CB 4.29Å; L325-V372 PolarHBondContact N-O 3.41Å; L325-V372 PolarHBondContact O-N 3.23Å; V328-V372 HydrophobicContact CB-CG2 4.36Å; L329-V372 HydrophobicContact CD1-CG2 3.82Å; L329-V372 HydrophobicContact CG-CG2 4.09Å; V347-V372 HydrophobicContact CG1-CG1 3.79Å; L360-V372 HydrophobicContact CD1-CG1 4.45Å; L360-V372 HydrophobicContact CG-CG1 4.27Å; V362-V372 HydrophobicContact CG2-CB 4.37Å; V362-V372 HydrophobicContact CG2-CG1 3.82Å; V362-V372 HydrophobicContact CG2-CG2 4Å; V372-V374 HydrophobicContact CG1-CG2 4.1Å
373F95.3Very high89.9Confident0 Ų036.1 Ų36.10%019%0.194CC..EExtended strand (participates in β ladder)trans-115.8127.5178.9-58.9-98.5000109.6V322 L323 R324 L360 L361 P363 Q371 Y404 Y409 L414V322-F373 HydrophobicContact CG1-CB 4.46Å; L323-F373 CarbonylContact O-C 3.55Å; L323-F373 WeakPolarHBondContact O-CA 3.48Å; R324-F373 HydrophobicContact CB-CD1 3.93Å; R324-F373 HydrophobicContact CB-CE1 3.95Å; R324-F373 HydrophobicContact CG-CD1 4Å; R324-F373 HydrophobicContact CG-CE1 3.65Å; R324-F373 HydrophobicContact CG-CZ 4.02Å; L360-F373 CarbonylContact C-O 3.59Å; L360-F373 VanDerWaalsContact CA-O 3.32Å; L360-F373 WeakPolarHBondContact CA-O 3.36Å; L361-F373 HydrophobicContact CB-CB 4.28Å; L361-F373 PolarHBondContact N-O 3.16Å; L361-F373 PolarHBondContact O-N 3.19Å; P363-F373 HydrophobicContact CG-CD2 4.31Å; P363-F373 HydrophobicContact CG-CE2 4.01Å; Q371-F373 HydrophobicContact CB-CE2 3.77Å; Q371-F373 HydrophobicContact CB-CZ 4.14Å; Q371-F373 VanDerWaalsContact OE1-CZ 3.29Å; F373-Y404 HydrophobicContact CD1-CD1 4.08Å; F373-Y404 HydrophobicContact CD1-CD2 4.29Å; F373-Y404 HydrophobicContact CD1-CE1 4.43Å; F373-Y404 AromaticContact CD1-CG 3.98Å; F373-Y404 HydrophobicContact CD1-CG 3.98Å; F373-Y404 HydrophobicContact CE1-CD1 4.05Å; F373-Y404 AromaticContact CE1-CD2 3.71Å; F373-Y404 HydrophobicContact CE1-CD2 3.71Å; F373-Y404 HydrophobicContact CE1-CE1 4.07Å; F373-Y404 AromaticContact CE1-CE2 3.76Å; F373-Y404 HydrophobicContact CE1-CE2 3.76Å; F373-Y404 AromaticContact CE1-CG 3.85Å; F373-Y404 HydrophobicContact CE1-CG 3.85Å; F373-Y404 AromaticContact CE1-CZ 3.93Å; F373-Y409 HydrophobicContact CB-CD2 3.91Å; F373-Y409 HydrophobicContact CB-CE2 3.51Å; F373-Y409 HydrophobicContact CD1-CD2 4.42Å; F373-Y409 HydrophobicContact CG-CD2 4.36Å; F373-Y409 HydrophobicContact CG-CE2 4.31Å; F373-L414 HydrophobicContact CD1-CD2 4.47Å; F373-L414 HydrophobicContact CD2-CD2 4.39Å; F373-L414 HydrophobicContact CE1-CD2 4.06Å; F373-L414 HydrophobicContact CE2-CD1 4.35Å; F373-L414 HydrophobicContact CE2-CD2 4Å; F373-L414 HydrophobicContact CZ-CD2 3.82Å
374V96.3Very high90.1Very high0 Ų037.3 Ų37.30%021%0.205CC..EExtended strand (participates in β ladder)trans-126.7112.4-175.6-172.60000108.9V322 L323 V347 C351 V357 L360 V372 Y376V322-V374 CarbonylContact C-O 3.59Å; V322-V374 WeakPolarHBondContact CA-O 3.44Å; L323-V374 PolarHBondContact N-O 2.94Å; L323-V374 PolarHBondContact O-N 3.29Å; V347-V374 HydrophobicContact CG1-CG2 4.46Å; C351-V374 HydrophobicContact CB-CG1 4.02Å; V357-V374 HydrophobicContact CB-CG1 4.5Å; V357-V374 HydrophobicContact CG1-CG1 3.84Å; V357-V374 HydrophobicContact CG2-CG1 3.92Å; L360-V374 HydrophobicContact CD1-CG2 4.22Å; L360-V374 HydrophobicContact CG-CG2 4.43Å; V372-V374 HydrophobicContact CG1-CG2 4.1Å; V374-Y376 HydrophobicContact CB-CE2 4.07Å; V374-Y376 HydrophobicContact CG1-CD2 4.12Å; V374-Y376 HydrophobicContact CG1-CE2 3.62Å
375E96.6Very high90.5Very high16 Ų1634 Ų348%0.07519%0.191CC..EExtended strand (participates in β ladder)trans-87119.3171.6-174.2176.4176.500109.1V322 V358 S359 L406 Y409 R410V322-E375 HydrophobicContact CG2-CB 4.2Å; V322-E375 HydrophobicContact CG2-CG 4.15Å; V358-E375 HydrophobicContact CB-CB 4.43Å; V358-E375 HydrophobicContact CB-CG 4.17Å; V358-E375 PolarHBondContact N-O 3.36Å; S359-E375 PolarHBondContact N-O 3.22Å; S359-E375 PolarHBondContact O-N 2.9Å; S359-E375 WeakPolarHBondContact OG-CB 3.31Å; S359-E375 PolarHBondContact OG-OE2 3.25Å; E375-L406 HydrophobicContact CG-CD1 4.15Å; E375-L406 WeakPolarHBondContact OE1-CD1 3.47Å; E375-Y409 HydrophobicContact CB-CD1 4.39Å; E375-Y409 HydrophobicContact CB-CE1 3.81Å; E375-Y409 WeakPolarHBondContact OE2-CE1 3.36Å; E375-R410 IonicContact OE1-CZ 2.68Å; E375-R410 IonicContact OE1-NE 3.81Å; E375-R410 PolarHBondContact OE1-NE 3.32Å; E375-R410 IonicContact OE1-NH2 2.64Å; E375-R410 PolarHBondContact OE1-NH2 2.97Å
376Y94.8Very high91Very high1 Ų128.1 Ų28.10%0.00416%0.163CC..EExtended strand (participates in β ladder)trans-92.2160171.5-71.1-92.8000110.8P321 L323 C351 P356 V357 V374 N378 D381 A385P321-Y376 PolarHBondContact O-N 3.4Å; L323-Y376 HydrophobicContact CB-CE2 4.17Å; L323-Y376 HydrophobicContact CD2-CE2 4.49Å; C351-Y376 VanDerWaalsContact CB-OH 3.23Å; C351-Y376 WeakPolarHBondContact CB-OH 3.28Å; C351-Y376 WeakPolarHBondContact O-CE1 3.49Å; C351-Y376 PolarHBondContact O-OH 2.9Å; P356-Y376 WeakPolarHBondContact O-CA 3.42Å; V357-Y376 HydrophobicContact CG2-CD1 4.49Å; V357-Y376 HydrophobicContact CG2-CE1 4.16Å; V374-Y376 HydrophobicContact CB-CE2 4.07Å; V374-Y376 HydrophobicContact CG1-CD2 4.12Å; V374-Y376 HydrophobicContact CG1-CE2 3.62Å; Y376-N378 PolarHBondContact O-N 3.42Å; Y376-D381 HydrophobicContact CD1-CB 3.75Å; Y376-D381 HydrophobicContact CE1-CB 4.5Å; Y376-D381 HydrophobicContact CG-CB 4.15Å; Y376-A385 HydrophobicContact CE1-CB 4.47Å; Y376-A385 HydrophobicContact CE2-CB 4.08Å; Y376-A385 VanDerWaalsContact OH-CB 3.27Å; Y376-A385 WeakPolarHBondContact OH-CB 2.98Å
377A90.6Very high91.4Very high52 Ų5231.1 Ų31.143%0.4317%0.171SC..SBendtrans-63.4-21.917700000114P356 V358P356-A377 HydrophobicContact CB-CB 4.13Å; P356-A377 HydrophobicContact CG-CB 4.46Å; P356-A377 PolarHBondContact O-N 3Å; V358-A377 HydrophobicContact CG2-CB 4.07Å
378N89.3Confident91.8Very high27 Ų2732.4 Ų32.414%0.14417%0.174CC..SBendtrans-154.8158.217564.389.8000110.7E169 Y376 G380 D381E169-N378 VanDerWaalsContact OE1-CA 3.31Å; E169-N378 WeakPolarHBondContact OE1-CA 3.43Å; Y376-N378 PolarHBondContact O-N 3.42Å; N378-G380 PolarHBondContact O-N 2.77Å; N378-G380 VanDerWaalsContact OD1-CA 3.27Å; N378-G380 WeakPolarHBondContact OD1-CA 3.35Å; N378-G380 PolarHBondContact OD1-N 3.32Å; N378-D381 PolarHBondContact ND2-OD2 3.49Å; N378-D381 PolarHBondContact O-N 2.95Å; N378-D381 PolarHBondContact OD1-N 2.95Å; N378-D381 VanDerWaalsContact OD1-N 3.15Å
379A92Very high92.2Very high1 Ų133 Ų331%0.00818%0.176CC..Hα-helixtrans-67.8-17.5179.500000114.4A168 E169 P321 D381 S382 K383A168-A379 HydrophobicContact CB-CB 3.23Å; E169-A379 PolarHBondContact OE1-N 3.32Å; P321-A379 HydrophobicContact CG-CB 4.22Å; A379-D381 VanDerWaalsContact C-N 3.35Å; A379-S382 WeakPolarHBondContact CA-OG 3.14Å; A379-S382 PolarHBondContact O-OG 3.49Å; A379-K383 WeakPolarHBondContact O-CB 3.47Å; A379-K383 PolarHBondContact O-N 3.03Å
380G90.4Very high92.3Very high24 Ų2431.9 Ų31.925%0.24718%0.18CC..Hα-helixtrans-64.4-41.7174.400000112.1N378 A384N378-G380 PolarHBondContact O-N 2.77Å; N378-G380 VanDerWaalsContact OD1-CA 3.27Å; N378-G380 WeakPolarHBondContact OD1-CA 3.35Å; N378-G380 PolarHBondContact OD1-N 3.32Å; G380-A384 PolarHBondContact O-N 2.93Å; G380-A384 VanDerWaalsContact O-N 3.09Å
381D92.1Very high92.5Very high22 Ų2233.4 Ų33.412%0.11820%0.195CC..Hα-helixtrans-73-42.4-179.5-61.1-19.1000110.9P356 Y376 N378 A379 K383 A384 A385P356-D381 WeakPolarHBondContact CD-OD2 3.5Å; Y376-D381 HydrophobicContact CD1-CB 3.75Å; Y376-D381 HydrophobicContact CE1-CB 4.5Å; Y376-D381 HydrophobicContact CG-CB 4.15Å; N378-D381 PolarHBondContact ND2-OD2 3.49Å; N378-D381 PolarHBondContact O-N 2.95Å; N378-D381 PolarHBondContact OD1-N 2.95Å; N378-D381 VanDerWaalsContact OD1-N 3.15Å; A379-D381 VanDerWaalsContact C-N 3.35Å; D381-K383 VanDerWaalsContact C-N 3.29Å; D381-K383 PolarHBondContact O-N 3.44Å; D381-A384 WeakPolarHBondContact O-CB 3.48Å; D381-A384 PolarHBondContact O-N 3.23Å; D381-A385 WeakPolarHBondContact O-CB 3.37Å; D381-A385 PolarHBondContact O-N 2.86Å
382S94.9Very high92.4Very high0 Ų037.1 Ų37.10%021%0.208CC..Hα-helixtrans-61.6-37174.470.90000112T320 A379 A385 Q386T320-S382 WeakPolarHBondContact O-CB 3.24Å; T320-S382 PolarHBondContact O-OG 2.88Å; A379-S382 WeakPolarHBondContact CA-OG 3.14Å; A379-S382 PolarHBondContact O-OG 3.49Å; S382-A385 PolarHBondContact O-N 3.49Å; S382-Q386 WeakPolarHBondContact O-CB 3.34Å; S382-Q386 PolarHBondContact O-N 3.16Å
383K94Very high91.8Very high83 Ų8343.8 Ų43.836%0.36124%0.241SC..Hα-helixtrans-67.6-38.7175.5-173.2175.8-170.7170.70112.3D115 P319 A379 D381 K387 F403D115-K383 IonicContact OD1-NZ 2.66Å; P319-K383 HydrophobicContact CG-CD 4.17Å; A379-K383 WeakPolarHBondContact O-CB 3.47Å; A379-K383 PolarHBondContact O-N 3.03Å; D381-K383 VanDerWaalsContact C-N 3.29Å; D381-K383 PolarHBondContact O-N 3.44Å; K383-K387 WeakPolarHBondContact O-CB 3.43Å; K383-K387 PolarHBondContact O-N 3Å; K383-F403 HydrophobicContact CB-CE1 4.33Å; K383-F403 HydrophobicContact CB-CZ 4.17Å; K383-F403 HydrophobicContact CG-CZ 4.25Å
384A92.8Very high90.8Very high39 Ų3947.5 Ų47.532%0.32226%0.257SS..Hα-helixtrans-64.4-43.8173.800000111.2G380 D381 L388G380-A384 PolarHBondContact O-N 2.93Å; G380-A384 VanDerWaalsContact O-N 3.09Å; D381-A384 WeakPolarHBondContact O-CB 3.48Å; D381-A384 PolarHBondContact O-N 3.23Å; A384-L388 WeakPolarHBondContact O-CG 3.35Å; A384-L388 PolarHBondContact O-N 3.48Å
385A94.6Very high89.6Confident0 Ų052 Ų520%028%0.281CS..Hα-helixtrans-62.1-50.1175.200000111.7L323 Y354 Y376 D381 S382 K387 L388 L389L323-A385 HydrophobicContact CD2-CB 3.84Å; Y354-A385 HydrophobicContact CD1-CB 4.36Å; Y354-A385 HydrophobicContact CD2-CB 3.67Å; Y354-A385 HydrophobicContact CE2-CB 4.33Å; Y354-A385 HydrophobicContact CG-CB 3.68Å; Y376-A385 HydrophobicContact CE1-CB 4.47Å; Y376-A385 HydrophobicContact CE2-CB 4.08Å; Y376-A385 VanDerWaalsContact OH-CB 3.27Å; Y376-A385 WeakPolarHBondContact OH-CB 2.98Å; D381-A385 WeakPolarHBondContact O-CB 3.37Å; D381-A385 PolarHBondContact O-N 2.86Å; S382-A385 PolarHBondContact O-N 3.49Å; A385-K387 VanDerWaalsContact C-N 3.29Å; A385-K387 PolarHBondContact O-N 2.97Å; A385-L388 PolarHBondContact O-N 3.02Å; A385-L389 HydrophobicContact CB-CD1 4.08Å; A385-L389 VanDerWaalsContact O-CB 3.26Å; A385-L389 WeakPolarHBondContact O-CB 3.39Å; A385-L389 WeakPolarHBondContact O-CG 3.49Å; A385-L389 PolarHBondContact O-N 3.37Å
386Q95.4Very high88.5Confident31 Ų3154.5 Ų54.515%0.14531%0.311CS..Hα-helixtrans-53.9-44.9179-172.9-111.830.800112.3V316 L323 S382 L388 T390 A401 F403V316-Q386 PolarHBondContact O-NE2 3.4Å; L323-Q386 HydrophobicContact CD1-CB 3.57Å; L323-Q386 HydrophobicContact CD1-CG 3.86Å; S382-Q386 WeakPolarHBondContact O-CB 3.34Å; S382-Q386 PolarHBondContact O-N 3.16Å; Q386-L388 VanDerWaalsContact C-N 3.32Å; Q386-L388 PolarHBondContact O-N 3.2Å; Q386-T390 VanDerWaalsContact O-CB 3.23Å; Q386-T390 WeakPolarHBondContact O-CB 3.35Å; Q386-T390 PolarHBondContact O-N 2.92Å; Q386-T390 VanDerWaalsContact O-N 3.14Å; Q386-T390 PolarHBondContact O-OG1 2.93Å; Q386-A401 HydrophobicContact CG-CB 4.19Å; Q386-A401 WeakPolarHBondContact CG-O 3.4Å; Q386-F403 HydrophobicContact CB-CE1 4.06Å; Q386-F403 HydrophobicContact CB-CZ 3.96Å; Q386-F403 HydrophobicContact CG-CE1 4.35Å; Q386-F403 HydrophobicContact CG-CE2 4.26Å; Q386-F403 HydrophobicContact CG-CZ 3.98Å
387K93Very high87.9Confident169 Ų16958 Ų5874%0.73533%0.327SS*.Hα-helixtrans-64.9-34.1179.6-176.7178.8178.6-177.20112.9K383 A385K383-K387 WeakPolarHBondContact O-CB 3.43Å; K383-K387 PolarHBondContact O-N 3Å; A385-K387 VanDerWaalsContact C-N 3.29Å; A385-K387 PolarHBondContact O-N 2.97Å
388L92.3Very high87.6Confident92 Ų9261.8 Ų61.848%0.48233%0.334SS..Hα-helixtrans-97.8-25-172.6-71171.3000113.4Y354 A384 A385 Q386 R392Y354-L388 HydrophobicContact CD1-CB 4.5Å; Y354-L388 HydrophobicContact CD1-CD1 3.94Å; Y354-L388 HydrophobicContact CE1-CB 3.56Å; Y354-L388 HydrophobicContact CE1-CD1 3.47Å; Y354-L388 VanDerWaalsContact CE1-CD1 3.47Å; Y354-L388 HydrophobicContact CE1-CG 4.13Å; A384-L388 WeakPolarHBondContact O-CG 3.35Å; A384-L388 PolarHBondContact O-N 3.48Å; A385-L388 PolarHBondContact O-N 3.02Å; Q386-L388 VanDerWaalsContact C-N 3.32Å; Q386-L388 PolarHBondContact O-N 3.2Å; L388-R392 WeakPolarHBondContact O-CD 3.42Å; L388-R392 WeakPolarHBondContact O-CG 3.36Å; L388-R392 PolarHBondContact O-NE 3.33Å
389L90.5Very high87.6Confident13 Ų1361 Ų617%0.06833%0.33CS..Hα-helixtrans-88.3-36.7178.8-68.6174000112.3L323 L325 E350 Y354 A385 G391 R392L323-L389 HydrophobicContact CD2-CD1 4.03Å; L325-L389 HydrophobicContact CD1-CD1 4.42Å; L325-L389 HydrophobicContact CD2-CD1 4.06Å; E350-L389 HydrophobicContact CG-CD2 4.18Å; Y354-L389 HydrophobicContact CE2-CD1 3.97Å; Y354-L389 HydrophobicContact CE2-CD2 3.85Å; Y354-L389 HydrophobicContact CE2-CG 3.81Å; Y354-L389 WeakPolarHBondContact OH-CD2 3.49Å; A385-L389 HydrophobicContact CB-CD1 4.08Å; A385-L389 VanDerWaalsContact O-CB 3.26Å; A385-L389 WeakPolarHBondContact O-CB 3.39Å; A385-L389 WeakPolarHBondContact O-CG 3.49Å; A385-L389 PolarHBondContact O-N 3.37Å; L389-G391 PolarHBondContact O-N 3.34Å; L389-R392 WeakPolarHBondContact O-CB 3.29Å; L389-R392 PolarHBondContact O-N 2.87Å; L389-R392 VanDerWaalsContact O-N 3.08Å
390T89.1Confident87.5Confident63 Ų6363.4 Ų63.439%0.38734%0.344SS..THydrogen-bonded Turntrans-58127.9176.8-61.50000110.4Q386 R392 A401Q386-T390 VanDerWaalsContact O-CB 3.23Å; Q386-T390 WeakPolarHBondContact O-CB 3.35Å; Q386-T390 PolarHBondContact O-N 2.92Å; Q386-T390 VanDerWaalsContact O-N 3.14Å; Q386-T390 PolarHBondContact O-OG1 2.93Å; T390-R392 VanDerWaalsContact C-N 3.32Å; T390-A401 VanDerWaalsContact OG1-CB 3.27Å; T390-A401 WeakPolarHBondContact OG1-CB 3.35Å; T390-A401 PolarHBondContact OG1-N 3.2Å; T390-A401 PolarHBondContact OG1-O 3.34Å
391G85.9Confident87.6Confident44 Ų4462.4 Ų62.445%0.45433%0.333SS..THydrogen-bonded Turntrans81.91.8179.600000114.9L389 F398 V399L389-G391 PolarHBondContact O-N 3.34Å; G391-F398 WeakPolarHBondContact O-CD1 3.29Å; G391-V399 PolarHBondContact N-O 3.31Å
392R87.6Confident87.7Confident102 Ų10261.3 Ų61.339%0.38533%0.328SS..  trans-70.4149.7166.9-70.6-167.4179.7-170.82.1110.5E350 Y354 L388 L389 T390 F398 V399E350-R392 IonicContact OE1-CZ 2.92Å; E350-R392 IonicContact OE1-NH1 2.71Å; E350-R392 PolarHBondContact OE1-NH1 3.41Å; Y354-R392 VanDerWaalsContact OH-CZ 3.29Å; Y354-R392 PolarHBondContact OH-NH1 3.11Å; Y354-R392 PolarHBondContact OH-NH2 2.98Å; L388-R392 WeakPolarHBondContact O-CD 3.42Å; L388-R392 WeakPolarHBondContact O-CG 3.36Å; L388-R392 PolarHBondContact O-NE 3.33Å; L389-R392 WeakPolarHBondContact O-CB 3.29Å; L389-R392 PolarHBondContact O-N 2.87Å; L389-R392 VanDerWaalsContact O-N 3.08Å; T390-R392 VanDerWaalsContact C-N 3.32Å; R392-F398 WeakPolarHBondContact O-CA 3.38Å; R392-V399 PolarHBondContact O-N 2.95Å
393M80.8Confident87.7Confident141 Ų14161.5 Ų61.570%0.69533%0.328SS*.EExtended strand (participates in β ladder)trans-85.2130.3169.5-70.1-164.8-55.700110K397 F398M393-K397 CarbonylContact C-O 3.59Å; M393-K397 VanDerWaalsContact CA-O 3.31Å; M393-K397 WeakPolarHBondContact CA-O 3.49Å; M393-F398 HydrophobicContact CG-CD1 4.27Å; M393-F398 HydrophobicContact CG-CE1 3.97Å; M393-F398 HydrophobicContact CG-CZ 4.42Å
394F73.1Confident87.7Confident78 Ų7857.5 Ų57.534%0.34231%0.311SS..EExtended strand (participates in β ladder)trans-132.4121.7168.5-164.2-88.9000106.9V328 G396 K397 V399V328-F394 HydrophobicContact CG1-CD1 3.99Å; V328-F394 HydrophobicContact CG1-CE1 4.07Å; V328-F394 HydrophobicContact CG1-CG 4.33Å; V328-F394 HydrophobicContact CG1-CZ 4.49Å; V328-F394 WeakPolarHBondContact O-CD1 3.45Å; V328-F394 WeakPolarHBondContact O-CE1 3.48Å; F394-G396 VanDerWaalsContact C-N 3.26Å; F394-G396 PolarHBondContact O-N 3.37Å; F394-G396 VanDerWaalsContact O-N 3.16Å; F394-K397 PolarHBondContact N-O 3.02Å; F394-K397 PolarHBondContact O-N 3.17Å; F394-V399 HydrophobicContact CB-CG2 3.72Å
395D71Confident87.7Confident94 Ų9456.8 Ų56.850%0.50330%0.303SS..THydrogen-bonded Turntrans4644.9-174.8-152.15.7000114.7Y333 K397Y333-D395 PolarHBondContact OH-OD2 3.14Å; D395-K397 PolarHBondContact O-N 3.42Å; D395-K397 VanDerWaalsContact O-N 3.15Å
396G75.4Confident87.6Confident69 Ų6957.2 Ų57.271%0.71131%0.305SS*.THydrogen-bonded Turntrans73.9-0.7-179.300000115.8F394F394-G396 VanDerWaalsContact C-N 3.26Å; F394-G396 PolarHBondContact O-N 3.37Å; F394-G396 VanDerWaalsContact O-N 3.16Å
397K80.7Confident87.5Confident74 Ų7457.9 Ų57.932%0.32231%0.313SS..EExtended strand (participates in β ladder)trans-105148.6175.8-63.7173.2-171.7154.90111.4N327 D330 M393 F394 D395N327-K397 HydrophobicContact CB-CB 4.34Å; D330-K397 IonicContact OD1-NZ 2.68Å; D330-K397 PolarHBondContact OD1-NZ 3.37Å; D330-K397 IonicContact OD2-NZ 2.83Å; D330-K397 PolarHBondContact OD2-NZ 3Å; M393-K397 CarbonylContact C-O 3.59Å; M393-K397 VanDerWaalsContact CA-O 3.31Å; M393-K397 WeakPolarHBondContact CA-O 3.49Å; F394-K397 PolarHBondContact N-O 3.02Å; F394-K397 PolarHBondContact O-N 3.17Å; D395-K397 PolarHBondContact O-N 3.42Å; D395-K397 VanDerWaalsContact O-N 3.15Å
398F85.8Confident87.3Confident132 Ų13250.1 Ų50.158%0.57928%0.281SS*.EExtended strand (participates in β ladder)trans-81.6123.8172.2-71.3-76.5000110.5N327 G391 R392 M393 V400N327-F398 WeakPolarHBondContact CB-O 3.46Å; N327-F398 PolarHBondContact ND2-O 3.17Å; G391-F398 WeakPolarHBondContact O-CD1 3.29Å; R392-F398 WeakPolarHBondContact O-CA 3.38Å; M393-F398 HydrophobicContact CG-CD1 4.27Å; M393-F398 HydrophobicContact CG-CE1 3.97Å; M393-F398 HydrophobicContact CG-CZ 4.42Å; F398-V400 PolarHBondContact O-N 2.85Å
399V87.9Confident87.4Confident11 Ų1146.8 Ų46.87%0.06726%0.262CS..  trans-69.7129.5173.3179.40000109.3L325 V328 G391 R392 F394L325-V399 HydrophobicContact CB-CG1 4.44Å; L325-V399 HydrophobicContact CD2-CG1 4.25Å; V328-V399 HydrophobicContact CG2-CG1 3.98Å; V328-V399 HydrophobicContact CG2-CG2 4.18Å; G391-V399 PolarHBondContact N-O 3.31Å; R392-V399 PolarHBondContact O-N 2.95Å; F394-V399 HydrophobicContact CB-CG2 3.72Å
400V89.4Confident87.5Confident51 Ų5154 Ų5431%0.30929%0.288SS..EExtended strand (participates in β ladder)trans-109.1117.9169.7179.70000107.7L326 F398 T402L326-V400 HydrophobicContact CB-CB 4.2Å; L326-V400 HydrophobicContact CD1-CB 4.4Å; L326-V400 HydrophobicContact CD1-CG1 4.28Å; L326-V400 PolarHBondContact N-O 2.96Å; L326-V400 PolarHBondContact O-N 3.13Å; F398-V400 PolarHBondContact O-N 2.85Å; V400-T402 HydrophobicContact CG1-CG2 4.22Å
401A92.9Very high87.6Confident2 Ų259.8 Ų59.82%0.01730%0.303CS..EExtended strand (participates in β ladder)trans-107.3122.5177.600000110.6L323 R324 L325 Q386 T390L323-A401 HydrophobicContact CD1-CB 3.99Å; L323-A401 HydrophobicContact CD2-CB 4.19Å; L323-A401 HydrophobicContact CG-CB 4.21Å; R324-A401 WeakPolarHBondContact O-CA 3.42Å; L325-A401 HydrophobicContact CD2-CB 3.54Å; Q386-A401 HydrophobicContact CG-CB 4.19Å; Q386-A401 WeakPolarHBondContact CG-O 3.4Å; T390-A401 VanDerWaalsContact OG1-CB 3.27Å; T390-A401 WeakPolarHBondContact OG1-CB 3.35Å; T390-A401 PolarHBondContact OG1-N 3.2Å; T390-A401 PolarHBondContact OG1-O 3.34Å
402T94.3Very high87.6Confident0 Ų060.3 Ų60.30%031%0.308CS..EExtended strand (participates in β ladder)trans-121.2148.8176.565.70000109I312 V316 R324 V400I312-T402 HydrophobicContact CD1-CG2 4.08Å; I312-T402 HydrophobicContact CG1-CG2 3.76Å; V316-T402 HydrophobicContact CG2-CG2 3.85Å; R324-T402 PolarHBondContact N-O 3.48Å; R324-T402 PolarHBondContact NE-OG1 3Å; R324-T402 PolarHBondContact NH2-OG1 2.99Å; R324-T402 PolarHBondContact O-N 3.45Å; V400-T402 HydrophobicContact CG1-CG2 4.22Å
403F95.5Very high87.6Confident3 Ų362.5 Ų62.51%0.01332%0.318CS..EExtended strand (participates in β ladder)trans-65.7157.4166.1-56.5-70.6000110.5L315 V316 L318 P319 T320 V322 L323 K383 Q386L315-F403 WeakPolarHBondContact CB-O 3.43Å; L315-F403 WeakPolarHBondContact O-CA 3.43Å; L315-F403 WeakPolarHBondContact O-CB 3.4Å; L315-F403 VanDerWaalsContact O-CD2 3.24Å; L315-F403 WeakPolarHBondContact O-CD2 3.49Å; L315-F403 PolarHBondContact O-N 2.76Å; V316-F403 WeakPolarHBondContact O-CE2 3.4Å; L318-F403 VanDerWaalsContact O-CB 3.26Å; L318-F403 WeakPolarHBondContact O-CB 3.28Å; L318-F403 VanDerWaalsContact O-CD2 3.27Å; L318-F403 WeakPolarHBondContact O-CD2 3.2Å; L318-F403 WeakPolarHBondContact O-CG 3.47Å; P319-F403 HydrophobicContact CB-CD1 4.36Å; P319-F403 HydrophobicContact CB-CD2 4.45Å; P319-F403 HydrophobicContact CB-CE1 3.99Å; P319-F403 HydrophobicContact CB-CE2 4.09Å; P319-F403 HydrophobicContact CB-CZ 3.85Å; P319-F403 HydrophobicContact CG-CE2 4.03Å; P319-F403 HydrophobicContact CG-CZ 4.06Å; T320-F403 HydrophobicContact CG2-CB 4.39Å; V322-F403 CarbonylContact O-C 3.58Å; V322-F403 WeakPolarHBondContact O-CA 3.5Å; L323-F403 HydrophobicContact CD1-CD1 4.35Å; K383-F403 HydrophobicContact CB-CE1 4.33Å; K383-F403 HydrophobicContact CB-CZ 4.17Å; K383-F403 HydrophobicContact CG-CZ 4.25Å; Q386-F403 HydrophobicContact CB-CE1 4.06Å; Q386-F403 HydrophobicContact CB-CZ 3.96Å; Q386-F403 HydrophobicContact CG-CE1 4.35Å; Q386-F403 HydrophobicContact CG-CE2 4.26Å; Q386-F403 HydrophobicContact CG-CZ 3.98Å
404Y93.6Very high87.8Confident0 Ų056.9 Ų56.90%029%0.29CS..EExtended strand (participates in β ladder)trans-134.5137.9178.6-161.3-98.2000110.2T320 V322 R324 F373 L406 A408 Y413 L414 Y415T320-Y404 WeakPolarHBondContact CB-O 3.41Å; T320-Y404 PolarHBondContact OG1-N 3.36Å; T320-Y404 PolarHBondContact OG1-O 3.17Å; V322-Y404 WeakPolarHBondContact CB-O 3.37Å; V322-Y404 PolarHBondContact O-N 3.1Å; R324-Y404 HydrophobicContact CB-CD2 4.27Å; R324-Y404 HydrophobicContact CB-CG 4.5Å; F373-Y404 HydrophobicContact CD1-CD1 4.08Å; F373-Y404 HydrophobicContact CD1-CD2 4.29Å; F373-Y404 HydrophobicContact CD1-CE1 4.43Å; F373-Y404 AromaticContact CD1-CG 3.98Å; F373-Y404 HydrophobicContact CD1-CG 3.98Å; F373-Y404 HydrophobicContact CE1-CD1 4.05Å; F373-Y404 AromaticContact CE1-CD2 3.71Å; F373-Y404 HydrophobicContact CE1-CD2 3.71Å; F373-Y404 HydrophobicContact CE1-CE1 4.07Å; F373-Y404 AromaticContact CE1-CE2 3.76Å; F373-Y404 HydrophobicContact CE1-CE2 3.76Å; F373-Y404 AromaticContact CE1-CG 3.85Å; F373-Y404 HydrophobicContact CE1-CG 3.85Å; F373-Y404 AromaticContact CE1-CZ 3.93Å; Y404-L406 PolarHBondContact O-N 3.26Å; Y404-L406 VanDerWaalsContact O-N 3.1Å; Y404-A408 HydrophobicContact CE1-CB 3.84Å; Y404-Y413 PolarHBondContact OH-O 3.22Å; Y404-L414 WeakPolarHBondContact OH-CA 3.48Å; Y404-Y415 HydrophobicContact CD2-CE1 4.49Å; Y404-Y415 HydrophobicContact CE1-CE1 4.41Å; Y404-Y415 HydrophobicContact CE2-CD1 4.07Å; Y404-Y415 AromaticContact CE2-CE1 3.47Å; Y404-Y415 HydrophobicContact CE2-CE1 3.47Å; Y404-Y415 VanDerWaalsContact CE2-CE1 3.47Å; Y404-Y415 HydrophobicContact CE2-CE2 4.11Å; Y404-Y415 AromaticContact CE2-CZ 3.48Å; Y404-Y415 VanDerWaalsContact CE2-CZ 3.48Å; Y404-Y415 AromaticContact CZ-CD1 3.82Å; Y404-Y415 AromaticContact CZ-CE1 3.42Å; Y404-Y415 VanDerWaalsContact CZ-CE1 3.42Å; Y404-Y415 AromaticContact CZ-CZ 3.97Å; Y404-Y415 WeakPolarHBondContact OH-CD1 3.38Å; Y404-Y415 WeakPolarHBondContact OH-CE1 3.44Å; Y404-Y415 PolarHBondContact OH-N 3.47Å
405P93Very high88Confident23 Ų2354.9 Ų54.915%0.14928%0.281CS..  trans-59.8121.9-177.9-23.934.1000111.4E171 L315 S407 A408 Y409 Y415E171-P405 WeakPolarHBondContact OE1-CA 3.4Å; E171-P405 WeakPolarHBondContact OE1-CB 3.5Å; L315-P405 HydrophobicContact CD2-CG 4.26Å; P405-S407 VanDerWaalsContact C-N 3.26Å; P405-S407 PolarHBondContact O-N 2.66Å; P405-A408 HydrophobicContact CB-CB 3.91Å; P405-A408 WeakPolarHBondContact O-CB 3.38Å; P405-A408 PolarHBondContact O-N 3.1Å; P405-Y409 PolarHBondContact O-N 2.68Å; P405-Y415 WeakPolarHBondContact CD-OH 3.05Å
406L93.4Very high87.8Confident10 Ų1056.7 Ų56.75%0.05229%0.286CS..Hα-helixtrans-57-42.2178.1178.263.7000110.8E171 P321 V322 E375 Y404 A408 Y409 R410E171-L406 PolarHBondContact OE1-N 2.99Å; P321-L406 HydrophobicContact CG-CD2 4.13Å; V322-L406 HydrophobicContact CG2-CB 4.17Å; V322-L406 HydrophobicContact CG2-CD1 3.48Å; V322-L406 VanDerWaalsContact CG2-CD1 3.48Å; V322-L406 HydrophobicContact CG2-CG 4.46Å; E375-L406 HydrophobicContact CG-CD1 4.15Å; E375-L406 WeakPolarHBondContact OE1-CD1 3.47Å; Y404-L406 PolarHBondContact O-N 3.26Å; Y404-L406 VanDerWaalsContact O-N 3.1Å; L406-A408 VanDerWaalsContact C-N 3.32Å; L406-A408 PolarHBondContact O-N 3.12Å; L406-Y409 PolarHBondContact O-N 3.35Å; L406-R410 HydrophobicContact CD1-CG 4.13Å; L406-R410 WeakPolarHBondContact O-CB 3.28Å; L406-R410 WeakPolarHBondContact O-CG 3.34Å; L406-R410 PolarHBondContact O-N 3.2Å
407S91.5Very high86.9Confident44 Ų4454.6 Ų54.631%0.30826%0.259SS..Hα-helixtrans-65.6-32176.659.90000113.3E171 P405 R411E171-S407 WeakPolarHBondContact OE2-CB 3.27Å; E171-S407 PolarHBondContact OE2-N 3.23Å; E171-S407 PolarHBondContact OE2-OG 3.23Å; P405-S407 VanDerWaalsContact C-N 3.26Å; P405-S407 PolarHBondContact O-N 2.66Å; S407-R411 WeakPolarHBondContact O-CG 3.38Å; S407-R411 PolarHBondContact O-N 3Å; S407-R411 PolarHBondContact O-NE 2.9Å; S407-R411 VanDerWaalsContact O-NE 3.16Å; S407-R411 PolarHBondContact O-NH2 3.27Å; S407-R411 PolarHBondContact OG-NH2 3.37Å
408A90.8Very high85.2Confident6 Ų658.6 Ų58.65%0.0528%0.283CS..Hα-helixtrans-71.5-48.3173.600000110.9Y404 P405 L406 R410 R411 G412 Y413Y404-A408 HydrophobicContact CE1-CB 3.84Å; P405-A408 HydrophobicContact CB-CB 3.91Å; P405-A408 WeakPolarHBondContact O-CB 3.38Å; P405-A408 PolarHBondContact O-N 3.1Å; L406-A408 VanDerWaalsContact C-N 3.32Å; L406-A408 PolarHBondContact O-N 3.12Å; A408-R410 PolarHBondContact O-N 3.42Å; A408-R411 PolarHBondContact O-N 3.39Å; A408-R411 VanDerWaalsContact O-N 3.15Å; A408-G412 PolarHBondContact O-N 3.29Å; A408-Y413 HydrophobicContact CB-CD1 4.28Å; A408-Y413 PolarHBondContact O-N 2.72Å
409Y92.9Very high83Confident23 Ų2361 Ų619%0.0930%0.302CS..Hα-helixtrans-55.6-50.5178179.7-108.5000112.4V322 S359 L361 F373 E375 P405 L406 R411 G412V322-Y409 HydrophobicContact CG1-CD1 4.29Å; V322-Y409 HydrophobicContact CG1-CD2 4.02Å; V322-Y409 HydrophobicContact CG1-CE2 4.49Å; V322-Y409 HydrophobicContact CG1-CG 3.91Å; V322-Y409 HydrophobicContact CG2-CD1 3.85Å; V322-Y409 HydrophobicContact CG2-CG 4.03Å; S359-Y409 VanDerWaalsContact OG-CE1 3.29Å; S359-Y409 WeakPolarHBondContact OG-CE1 3.49Å; S359-Y409 PolarHBondContact OG-OH 3.23Å; L361-Y409 HydrophobicContact CB-CE2 3.85Å; L361-Y409 HydrophobicContact CD2-CE2 3.93Å; F373-Y409 HydrophobicContact CB-CD2 3.91Å; F373-Y409 HydrophobicContact CB-CE2 3.51Å; F373-Y409 HydrophobicContact CD1-CD2 4.42Å; F373-Y409 HydrophobicContact CG-CD2 4.36Å; F373-Y409 HydrophobicContact CG-CE2 4.31Å; E375-Y409 HydrophobicContact CB-CD1 4.39Å; E375-Y409 HydrophobicContact CB-CE1 3.81Å; E375-Y409 WeakPolarHBondContact OE2-CE1 3.36Å; P405-Y409 PolarHBondContact O-N 2.68Å; L406-Y409 PolarHBondContact O-N 3.35Å; Y409-R411 PolarHBondContact O-N 3.27Å; Y409-G412 PolarHBondContact O-N 3.36Å
410R92.1Very high82.8Confident165 Ų16563.5 Ų63.562%0.62331%0.313SS*.Hα-helixtrans-65.5-24179.9-72.5-178.1174.5167.63.3114.1E375 L406 A408 G412E375-R410 IonicContact OE1-CZ 2.68Å; E375-R410 IonicContact OE1-NE 3.81Å; E375-R410 PolarHBondContact OE1-NE 3.32Å; E375-R410 IonicContact OE1-NH2 2.64Å; E375-R410 PolarHBondContact OE1-NH2 2.97Å; L406-R410 HydrophobicContact CD1-CG 4.13Å; L406-R410 WeakPolarHBondContact O-CB 3.28Å; L406-R410 WeakPolarHBondContact O-CG 3.34Å; L406-R410 PolarHBondContact O-N 3.2Å; A408-R410 PolarHBondContact O-N 3.42Å; R410-G412 VanDerWaalsContact C-N 3.31Å
411R91.5Very high82.4Confident184 Ų18464.2 Ų64.269%0.69431%0.313SS*.THydrogen-bonded Turntrans-86-1.7173.2-72.5-172.7-64.7-108.3-5.1113S407 A408 Y409 Y413S407-R411 WeakPolarHBondContact O-CG 3.38Å; S407-R411 PolarHBondContact O-N 3Å; S407-R411 PolarHBondContact O-NE 2.9Å; S407-R411 VanDerWaalsContact O-NE 3.16Å; S407-R411 PolarHBondContact O-NH2 3.27Å; S407-R411 PolarHBondContact OG-NH2 3.37Å; A408-R411 PolarHBondContact O-N 3.39Å; A408-R411 VanDerWaalsContact O-N 3.15Å; Y409-R411 PolarHBondContact O-N 3.27Å; R411-Y413 PolarHBondContact O-N 3.29Å
412G87.4Confident81.9Confident55 Ų5567.6 Ų67.657%0.56733%0.33SS*.THydrogen-bonded Turntrans67.517.1-172.700000113.4A408 Y409 R410 L414A408-G412 PolarHBondContact O-N 3.29Å; Y409-G412 PolarHBondContact O-N 3.36Å; R410-G412 VanDerWaalsContact C-N 3.31Å; G412-L414 PolarHBondContact O-N 3.37Å
413Y87.2Confident81.1Confident148 Ų14871.6 Ų71.658%0.5835%0.349SS*.  trans-82.6102.1177.4-174.8-105.5000108.9Y404 A408 R411 Y415Y404-Y413 PolarHBondContact OH-O 3.22Å; A408-Y413 HydrophobicContact CB-CD1 4.28Å; A408-Y413 PolarHBondContact O-N 2.72Å; R411-Y413 PolarHBondContact O-N 3.29Å; Y413-Y415 AromaticContact CD1-CD1 3.9Å; Y413-Y415 HydrophobicContact CD1-CD1 3.9Å; Y413-Y415 AromaticContact CE1-CD1 3.65Å; Y413-Y415 HydrophobicContact CE1-CD1 3.65Å; Y413-Y415 HydrophobicContact CE1-CG 4.31Å
414L84.3Confident80.2Confident23 Ų2375.9 Ų75.912%0.1237%0.37CS..  trans-103.8124.7174.2-52.3-179.7000108.4L361 P363 P367 F373 Y404 G412L361-L414 HydrophobicContact CD2-CD1 4.13Å; L361-L414 HydrophobicContact CD2-CD2 4.25Å; P363-L414 HydrophobicContact CB-CD1 4.16Å; P363-L414 HydrophobicContact CG-CD1 3.48Å; P363-L414 VanDerWaalsContact CG-CD1 3.48Å; P367-L414 HydrophobicContact CB-CB 4.46Å; P367-L414 WeakPolarHBondContact CB-O 3.44Å; P367-L414 HydrophobicContact CG-CB 4.2Å; P367-L414 WeakPolarHBondContact CG-O 3.44Å; P367-L414 WeakPolarHBondContact O-CD1 3.16Å; F373-L414 HydrophobicContact CD1-CD2 4.47Å; F373-L414 HydrophobicContact CD2-CD2 4.39Å; F373-L414 HydrophobicContact CE1-CD2 4.06Å; F373-L414 HydrophobicContact CE2-CD1 4.35Å; F373-L414 HydrophobicContact CE2-CD2 4Å; F373-L414 HydrophobicContact CZ-CD2 3.82Å; Y404-L414 WeakPolarHBondContact OH-CA 3.48Å; G412-L414 PolarHBondContact O-N 3.37Å
415Y77.1Confident79.3Confident35 Ų3580.9 Ų80.914%0.13740%0.395CS..  trans-113137.2175.655.4-92.5000110.4L315 Y404 P405 Y413 T417L315-Y415 HydrophobicContact CD1-CE2 4.08Å; L315-Y415 VanDerWaalsContact CD1-OH 3.25Å; L315-Y415 WeakPolarHBondContact CD1-OH 3.32Å; Y404-Y415 HydrophobicContact CD2-CE1 4.49Å; Y404-Y415 HydrophobicContact CE1-CE1 4.41Å; Y404-Y415 HydrophobicContact CE2-CD1 4.07Å; Y404-Y415 AromaticContact CE2-CE1 3.47Å; Y404-Y415 HydrophobicContact CE2-CE1 3.47Å; Y404-Y415 VanDerWaalsContact CE2-CE1 3.47Å; Y404-Y415 HydrophobicContact CE2-CE2 4.11Å; Y404-Y415 AromaticContact CE2-CZ 3.48Å; Y404-Y415 VanDerWaalsContact CE2-CZ 3.48Å; Y404-Y415 AromaticContact CZ-CD1 3.82Å; Y404-Y415 AromaticContact CZ-CE1 3.42Å; Y404-Y415 VanDerWaalsContact CZ-CE1 3.42Å; Y404-Y415 AromaticContact CZ-CZ 3.97Å; Y404-Y415 WeakPolarHBondContact OH-CD1 3.38Å; Y404-Y415 WeakPolarHBondContact OH-CE1 3.44Å; Y404-Y415 PolarHBondContact OH-N 3.47Å; P405-Y415 WeakPolarHBondContact CD-OH 3.05Å; Y413-Y415 AromaticContact CD1-CD1 3.9Å; Y413-Y415 HydrophobicContact CD1-CD1 3.9Å; Y413-Y415 AromaticContact CE1-CD1 3.65Å; Y413-Y415 HydrophobicContact CE1-CD1 3.65Å; Y413-Y415 HydrophobicContact CE1-CG 4.31Å; Y415-T417 WeakPolarHBondContact CD2-OG1 3.27Å; Y415-T417 VanDerWaalsContact CE2-OG1 3.29Å; Y415-T417 WeakPolarHBondContact CE2-OG1 3.38Å; Y415-T417 PolarHBondContact O-N 2.96Å; Y415-T417 VanDerWaalsContact O-N 3.12Å
416Q66.3Low78.4Confident132 Ų13285.1 Ų85.162%0.61741%0.413SS*.  trans-73101.7169.7-157.5167.617.800106.5L418Q416-L418 PolarHBondContact O-N 2.62Å
417T57.2Low77.2Confident25 Ų2590.8 Ų90.815%0.15344%0.44CS..  trans-65.6111.9173.6-49.90000106.8I312 R324 Y415 L419I312-T417 HydrophobicContact CB-CG2 4.31Å; R324-T417 PolarHBondContact NH1-OG1 3.15Å; R324-T417 PolarHBondContact NH2-OG1 2.66Å; Y415-T417 WeakPolarHBondContact CD2-OG1 3.27Å; Y415-T417 VanDerWaalsContact CE2-OG1 3.29Å; Y415-T417 WeakPolarHBondContact CE2-OG1 3.38Å; Y415-T417 PolarHBondContact O-N 2.96Å; Y415-T417 VanDerWaalsContact O-N 3.12Å; T417-L419 PolarHBondContact O-N 3.35Å
418L45.3Very low76Confident158 Ų15894.8 Ų94.883%0.82745%0.451SS*.  trans-62.7115.1164.7-70.5163000105.7Q416Q416-L418 PolarHBondContact O-N 2.62Å
419L40Very low74.7Confident183 Ų183102.8 Ų102.896%0.95849%0.488SS*.  trans-61.70175.8-79164.7000111.7I312 T417I312-L419 HydrophobicContact CD1-CD2 3.74Å; T417-L419 PolarHBondContact O-N 3.35Å

Retrieved 419 of 419 residues in 82.1 ms (Link to these results)

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