A0A096MUV9_PAPAN Loading...

Delta(14)-sterol reductase LBR

Catalyzes the reduction of the C14-unsaturated bond of lanosterol, as part of the metabolic pathway leading to cholesterol biosynthesis. Plays a critical role in myeloid cell cholesterol biosynthesis which is essential to both myeloid cell growth and functional maturation. Mediates the activation of NADPH oxidases, perhaps by maintaining critical levels of cholesterol required for membrane lipid raft formation during neutrophil differentiation. Anchors the lamina and the heterochromatin to the inner nuclear membrane.

AlphaFold DB , UniProt , Accession A0A096MUV9, Species PAPAN (Papio anubis, Olive baboon), Gene LBR, Length 615 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
1M43.9Very low73.4Confident233 Ų23391.5 Ų91.5100%1.14851%0.508SS*.  0129.20-69.7-168.4167.900107.6S3M1-S3 PolarHBondContact O-N 2.98Å
2P51.1Low74.9Confident88 Ų8883.9 Ų83.957%0.57147%0.466SS*.  trans-60.1126.9175.423.5-29.1000108.7R4P2-R4 PolarHBondContact O-N 3.41Å
3S58.5Low75.9Confident101 Ų10182.8 Ų82.871%0.70645%0.45SS*.  trans-67.8111.6-176.154.60000109.8M1 K5M1-S3 PolarHBondContact O-N 2.98Å; S3-K5 PolarHBondContact O-N 3.38Å
4R72.6Confident76.8Confident108 Ų10876.9 Ų76.941%0.40842%0.418SS..  trans-59.2119172.4-179.1-176.9173.8156.416.8109.6P2 F6 D8P2-R4 PolarHBondContact O-N 3.41Å; R4-F6 WeakPolarHBondContact CG-O 3.37Å; R4-F6 PolarHBondContact NE-O 2.97Å; R4-F6 PolarHBondContact NH2-O 3.29Å; R4-D8 IonicContact CZ-OD1 2.94Å; R4-D8 IonicContact CZ-OD2 3.25Å; R4-D8 IonicContact NH1-OD1 3.49Å; R4-D8 IonicContact NH1-OD2 3.92Å; R4-D8 PolarHBondContact NH1-OD2 3.03Å; R4-D8 IonicContact NH2-OD1 2.64Å; R4-D8 PolarHBondContact NH2-OD1 2.94Å; R4-D8 IonicContact NH2-OD2 3.09Å; R4-D8 PolarHBondContact NH2-OD2 3.11Å; R4-D8 VanDerWaalsContact NH2-OD2 3.09Å
5K78.4Confident77.5Confident136 Ų13678.1 Ų78.159%0.59141%0.414SS*.  trans-84.2-27.2-176.5-77.6-159-167.41180115.5S3 Y37 E51S3-K5 PolarHBondContact O-N 3.38Å; K5-Y37 PolarHBondContact N-OH 3.1Å; K5-E51 WeakPolarHBondContact CD-OE1 3.42Å; K5-E51 WeakPolarHBondContact CE-OE1 3.44Å; K5-E51 WeakPolarHBondContact CG-OE1 3.35Å; K5-E51 IonicContact NZ-OE1 3.74Å; K5-E51 PolarHBondContact NZ-OE1 3.21Å
6F82.9Confident77.8Confident21 Ų2176.9 Ų76.99%0.09240%0.402CS..SBendtrans-131.9141.8-175.8-54.5-77.5000111.5R4 E10 V12 I27 Y37 I54 P56R4-F6 WeakPolarHBondContact CG-O 3.37Å; R4-F6 PolarHBondContact NE-O 2.97Å; R4-F6 PolarHBondContact NH2-O 3.29Å; F6-E10 WeakPolarHBondContact CA-OE2 3.44Å; F6-V12 HydrophobicContact CB-CG1 4.49Å; F6-V12 HydrophobicContact CD1-CG1 3.61Å; F6-V12 HydrophobicContact CE1-CG1 4.05Å; F6-V12 HydrophobicContact CG-CG1 4.19Å; F6-I27 HydrophobicContact CB-CD1 3.17Å; F6-I27 HydrophobicContact CG-CD1 3.94Å; F6-Y37 HydrophobicContact CB-CE1 4.17Å; F6-I54 HydrophobicContact CD2-CG2 3.89Å; F6-I54 HydrophobicContact CE1-CG2 4.34Å; F6-I54 HydrophobicContact CE2-CB 4Å; F6-I54 HydrophobicContact CE2-CG2 3.54Å; F6-I54 HydrophobicContact CG-CG2 4.43Å; F6-I54 HydrophobicContact CZ-CG2 3.78Å; F6-P56 HydrophobicContact CE1-CB 4.37Å
7A82.6Confident77.7Confident52 Ų5276.6 Ų76.643%0.4341%0.406SS..  trans-88.4160.1-175.500000113.1E10 I27A7-E10 HydrophobicContact CB-CB 4.39Å; A7-E10 PolarHBondContact N-OE2 3.38Å; A7-E10 VanDerWaalsContact O-CB 3.27Å; A7-E10 WeakPolarHBondContact O-CB 3.44Å; A7-E10 PolarHBondContact O-N 2.92Å; A7-I27 WeakPolarHBondContact O-CB 3.37Å
8D84Confident77.2Confident84 Ų8477.8 Ų77.845%0.44944%0.439SS..THydrogen-bonded Turntrans-68.5136.3172.7-62.5-42.7000109R4 E10 S29R4-D8 IonicContact CZ-OD1 2.94Å; R4-D8 IonicContact CZ-OD2 3.25Å; R4-D8 IonicContact NH1-OD1 3.49Å; R4-D8 IonicContact NH1-OD2 3.92Å; R4-D8 PolarHBondContact NH1-OD2 3.03Å; R4-D8 IonicContact NH2-OD1 2.64Å; R4-D8 PolarHBondContact NH2-OD1 2.94Å; R4-D8 IonicContact NH2-OD2 3.09Å; R4-D8 PolarHBondContact NH2-OD2 3.11Å; R4-D8 VanDerWaalsContact NH2-OD2 3.09Å; D8-E10 VanDerWaalsContact C-N 3.25Å; D8-E10 PolarHBondContact O-N 3.5Å; D8-S29 VanDerWaalsContact OD1-CA 3.32Å; D8-S29 WeakPolarHBondContact OD1-CA 3.47Å
9G80.4Confident77Confident43 Ų4375.5 Ų75.544%0.44343%0.429SS..THydrogen-bonded Turntrans78.5-1-172.700000114.7I27G9-I27 PolarHBondContact N-O 3.15Å
10E86.5Confident77.1Confident77 Ų7776.4 Ų76.436%0.3644%0.44SS..  trans-74.8130.8177.1-167.3-178.8171.100110.9F6 A7 D8 V12 I27F6-E10 WeakPolarHBondContact CA-OE2 3.44Å; A7-E10 HydrophobicContact CB-CB 4.39Å; A7-E10 PolarHBondContact N-OE2 3.38Å; A7-E10 VanDerWaalsContact O-CB 3.27Å; A7-E10 WeakPolarHBondContact O-CB 3.44Å; A7-E10 PolarHBondContact O-N 2.92Å; D8-E10 VanDerWaalsContact C-N 3.25Å; D8-E10 PolarHBondContact O-N 3.5Å; E10-V12 HydrophobicContact CB-CG1 4.48Å; E10-V12 HydrophobicContact CG-CG1 4.03Å; E10-I27 PolarHBondContact O-N 2.85Å; E10-I27 VanDerWaalsContact O-N 3.08Å
11V87Confident77.3Confident64 Ų6477.1 Ų77.139%0.38844%0.442SS..EExtended strand (participates in β ladder)trans-83.9117.6174.5-1760000109E24 V25 L57V11-E24 HydrophobicContact CG1-CB 4.41Å; V11-V25 CarbonylContact C-O 3.56Å; V11-V25 WeakPolarHBondContact CA-O 3.41Å; V11-L57 HydrophobicContact CB-CD1 4.24Å; V11-L57 HydrophobicContact CG1-CD1 4.24Å; V11-L57 WeakPolarHBondContact O-CD1 3.19Å; V11-L57 WeakPolarHBondContact O-CG 3.46Å
12V90.4Very high79.4Confident0 Ų068 Ų680%040%0.395CS..EExtended strand (participates in β ladder)trans-128175.1-177.7-61.50000110.5F6 E10 E24 V25 I27 I54F6-V12 HydrophobicContact CB-CG1 4.49Å; F6-V12 HydrophobicContact CD1-CG1 3.61Å; F6-V12 HydrophobicContact CE1-CG1 4.05Å; F6-V12 HydrophobicContact CG-CG1 4.19Å; E10-V12 HydrophobicContact CB-CG1 4.48Å; E10-V12 HydrophobicContact CG-CG1 4.03Å; V12-E24 WeakPolarHBondContact O-CA 3.49Å; V12-V25 HydrophobicContact CG2-CG2 3.61Å; V12-V25 PolarHBondContact N-O 3.26Å; V12-V25 PolarHBondContact O-N 3.31Å; V12-I27 HydrophobicContact CB-CD1 4.43Å; V12-I27 HydrophobicContact CG1-CD1 3.8Å; V12-I27 HydrophobicContact CG2-CD1 3.74Å; V12-I27 HydrophobicContact CG2-CG1 3.76Å; V12-I54 HydrophobicContact CB-CG2 3.84Å; V12-I54 HydrophobicContact CG1-CG2 4.42Å; V12-I54 HydrophobicContact CG2-CG2 3.51Å
13R87.8Confident81Confident70 Ų7067.1 Ų67.126%0.26438%0.381SS..EExtended strand (participates in β ladder)trans-99.2105.1173.6-75.8-79.7179.7158.5-5.5109.1Y22 Y23 E24 I54 K55 L57 F60R13-Y22 HydrophobicContact CB-CD1 4.46Å; R13-Y22 PolarHBondContact NH1-O 3.27Å; R13-Y22 VanDerWaalsContact NH1-O 3.12Å; R13-Y22 WeakPolarHBondContact O-CD1 3.33Å; R13-Y23 CarbonylContact C-O 3.29Å; R13-Y23 WeakPolarHBondContact CA-O 3.38Å; R13-E24 IonicContact CZ-OE1 3.6Å; R13-E24 IonicContact NE-OE1 3.88Å; R13-E24 IonicContact NH2-OE1 2.78Å; R13-E24 PolarHBondContact NH2-OE1 3.39Å; R13-I54 CarbonylContact O-C 3.42Å; R13-I54 WeakPolarHBondContact O-CA 3.44Å; R13-K55 WeakPolarHBondContact CA-O 3.39Å; R13-K55 HydrophobicContact CB-CB 4.34Å; R13-K55 WeakPolarHBondContact CB-O 3.48Å; R13-K55 PolarHBondContact N-O 3.47Å; R13-K55 PolarHBondContact O-N 2.87Å; R13-L57 HydrophobicContact CG-CD2 4.23Å; R13-F60 HydrophobicContact CB-CD2 4.43Å; R13-F60 HydrophobicContact CB-CE2 4.28Å; R13-F60 HydrophobicContact CG-CD2 4.21Å
14G89.1Confident82.5Confident0 Ų065 Ų650%036%0.36CS..EExtended strand (participates in β ladder)trans-94.9138.6176.800000111.9Y22 Y23G14-Y22 CarbonylContact O-C 3.38Å; G14-Y22 WeakPolarHBondContact O-CA 3.35Å; G14-Y23 PolarHBondContact N-O 3.34Å; G14-Y23 PolarHBondContact O-N 2.73Å
15R86.7Confident83.3Confident94 Ų9460 Ų6036%0.35534%0.341SS..EExtended strand (participates in β ladder)trans-78.5134.1176.1-169.4-171.4178.1175.9-1.4110.3S19 L21 Y22 Y41 L49 D53R15-S19 PolarHBondContact NE-O 2.93Å; R15-L21 WeakPolarHBondContact CA-O 3.43Å; R15-Y22 HydrophobicContact CB-CD1 3.98Å; R15-Y22 HydrophobicContact CB-CE1 3.74Å; R15-Y22 HydrophobicContact CB-CE2 4.46Å; R15-Y22 HydrophobicContact CB-CG 4.46Å; R15-Y22 HydrophobicContact CG-CE1 4.46Å; R15-Y22 HydrophobicContact CG-CE2 4.34Å; R15-Y41 PolarHBondContact O-OH 3.48Å; R15-L49 VanDerWaalsContact O-CD2 3.27Å; R15-L49 WeakPolarHBondContact O-CD2 3.45Å; R15-D53 HydrophobicContact CB-CB 3.86Å; R15-D53 VanDerWaalsContact CB-O 3.28Å; R15-D53 WeakPolarHBondContact CB-O 3.33Å; R15-D53 WeakPolarHBondContact CD-OD1 3.37Å; R15-D53 IonicContact CZ-OD1 3.73Å; R15-D53 PolarHBondContact N-O 3.41Å; R15-D53 IonicContact NE-OD1 2.77Å; R15-D53 IonicContact NH1-OD1 3.56Å; R15-D53 PolarHBondContact NH1-OD1 3.2Å
16W82.8Confident83.9Confident60 Ų6057.8 Ų57.823%0.22733%0.333CS..PPolyproline II helixtrans-74.8132.5175.9-172.7-89.5000111.6G18 S19 L21 Y23 Y41 T45 L47W16-G18 PolarHBondContact O-N 3.48Å; W16-S19 PolarHBondContact O-N 2.72Å; W16-L21 PolarHBondContact N-O 3Å; W16-L21 VanDerWaalsContact N-O 3.11Å; W16-Y23 HydrophobicContact CB-CD2 4.04Å; W16-Y23 HydrophobicContact CB-CE2 3.83Å; W16-Y41 AromaticContact CE3-CD1 3.91Å; W16-Y41 HydrophobicContact CE3-CD1 3.91Å; W16-Y41 AromaticContact CE3-CE1 3.45Å; W16-Y41 HydrophobicContact CE3-CE1 3.45Å; W16-Y41 VanDerWaalsContact CE3-CE1 3.45Å; W16-Y41 HydrophobicContact CE3-CE2 4.31Å; W16-Y41 AromaticContact CE3-CZ 3.66Å; W16-Y41 AromaticContact CZ3-CD1 3.85Å; W16-Y41 HydrophobicContact CZ3-CD1 3.85Å; W16-Y41 HydrophobicContact CZ3-CD2 4.23Å; W16-Y41 AromaticContact CZ3-CE1 3.84Å; W16-Y41 HydrophobicContact CZ3-CE1 3.84Å; W16-Y41 HydrophobicContact CZ3-CE2 4.23Å; W16-Y41 HydrophobicContact CZ3-CG 4.05Å; W16-T45 HydrophobicContact CH2-CG2 4.46Å; W16-L47 HydrophobicContact CE3-CD1 4.38Å; W16-L47 HydrophobicContact CH2-CD1 4.28Å; W16-L47 HydrophobicContact CZ3-CD1 4.09Å
17P77Confident84.2Confident71 Ų7156.8 Ų56.846%0.46133%0.328SS..THydrogen-bonded Turntrans-55.6127.1178.2-25.734.4000112.2S19 L47 L49P17-S19 VanDerWaalsContact C-N 3.3Å; P17-S19 PolarHBondContact O-N 3.31Å; P17-L47 HydrophobicContact CG-CD1 3.96Å; P17-L49 HydrophobicContact CG-CD2 4.36Å
18G67.9Low84.4Confident98 Ų9857.3 Ų57.3100%1.0132%0.324SS*.THydrogen-bonded Turntrans77.76-177.800000115.5W16W16-G18 PolarHBondContact O-N 3.48Å
19S74.3Confident84.5Confident34 Ų3456 Ų5624%0.23832%0.321CS..SBendtrans-123.4161.8175.2-179.60000111.4R15 W16 P17 L21R15-S19 PolarHBondContact NE-O 2.93Å; W16-S19 PolarHBondContact O-N 2.72Å; P17-S19 VanDerWaalsContact C-N 3.3Å; P17-S19 PolarHBondContact O-N 3.31Å; S19-L21 PolarHBondContact OG-N 3.3Å
20S77.9Confident84.7Confident93 Ų9355.7 Ų55.765%0.6531%0.308SS*.SBendtrans-93.83.9170.661.10000113.1
21L81.1Confident84.7Confident93 Ų9355.2 Ų55.249%0.48731%0.308SS..  trans-93.6144.6-174.4-61.5174.3000112.2R15 W16 S19 Y23R15-L21 WeakPolarHBondContact CA-O 3.43Å; W16-L21 PolarHBondContact N-O 3Å; W16-L21 VanDerWaalsContact N-O 3.11Å; S19-L21 PolarHBondContact OG-N 3.3Å; L21-Y23 HydrophobicContact CB-CE2 3.73Å; L21-Y23 WeakPolarHBondContact CD1-OH 3.24Å
22Y88Confident84Confident41 Ų4156 Ų5616%0.16132%0.316CS..EExtended strand (participates in β ladder)trans-113.8125.6-179.8-74.1-98.8000111.3R13 G14 R15 D53 K55 F60R13-Y22 HydrophobicContact CB-CD1 4.46Å; R13-Y22 PolarHBondContact NH1-O 3.27Å; R13-Y22 VanDerWaalsContact NH1-O 3.12Å; R13-Y22 WeakPolarHBondContact O-CD1 3.33Å; G14-Y22 CarbonylContact O-C 3.38Å; G14-Y22 WeakPolarHBondContact O-CA 3.35Å; R15-Y22 HydrophobicContact CB-CD1 3.98Å; R15-Y22 HydrophobicContact CB-CE1 3.74Å; R15-Y22 HydrophobicContact CB-CE2 4.46Å; R15-Y22 HydrophobicContact CB-CG 4.46Å; R15-Y22 HydrophobicContact CG-CE1 4.46Å; R15-Y22 HydrophobicContact CG-CE2 4.34Å; Y22-D53 WeakPolarHBondContact CE1-O 3.42Å; Y22-K55 HydrophobicContact CD1-CB 4.31Å; Y22-K55 HydrophobicContact CD1-CD 4.2Å; Y22-K55 HydrophobicContact CD1-CG 4.25Å; Y22-K55 HydrophobicContact CE1-CB 4.23Å; Y22-K55 HydrophobicContact CE1-CD 3.72Å; Y22-K55 HydrophobicContact CE1-CG 3.71Å; Y22-K55 HydrophobicContact CE2-CD 4.24Å; Y22-K55 WeakPolarHBondContact OH-CE 3.44Å; Y22-F60 HydrophobicContact CD1-CE2 4.46Å; Y22-F60 HydrophobicContact CD2-CE2 4.4Å; Y22-F60 AromaticContact CD2-CZ 3.75Å; Y22-F60 HydrophobicContact CD2-CZ 3.75Å; Y22-F60 HydrophobicContact CE2-CZ 4.33Å; Y22-F60 HydrophobicContact CG-CE2 4.07Å; Y22-F60 AromaticContact CG-CZ 3.87Å; Y22-F60 HydrophobicContact CG-CZ 3.87Å
23Y86Confident83.3Confident69 Ų6961.9 Ų61.927%0.27135%0.352SS..EExtended strand (participates in β ladder)trans-115.9157.4-177-61-90.4000111.3R13 G14 W16 L21 V25 Y41 S529R13-Y23 CarbonylContact C-O 3.29Å; R13-Y23 WeakPolarHBondContact CA-O 3.38Å; G14-Y23 PolarHBondContact N-O 3.34Å; G14-Y23 PolarHBondContact O-N 2.73Å; W16-Y23 HydrophobicContact CB-CD2 4.04Å; W16-Y23 HydrophobicContact CB-CE2 3.83Å; L21-Y23 HydrophobicContact CB-CE2 3.73Å; L21-Y23 WeakPolarHBondContact CD1-OH 3.24Å; Y23-V25 PolarHBondContact O-N 2.99Å; Y23-Y41 HydrophobicContact CD2-CE1 4.41Å; Y23-S529 PolarHBondContact OH-O 3.36Å; Y23-S529 VanDerWaalsContact OH-O 3.1Å
24E88.4Confident82.7Confident58 Ų5861.1 Ų61.127%0.27136%0.357SS..EExtended strand (participates in β ladder)trans-71.1123.7174.5-71.3171.4-171.700109.8V11 V12 R13 K42 L57V11-E24 HydrophobicContact CG1-CB 4.41Å; V12-E24 WeakPolarHBondContact O-CA 3.49Å; R13-E24 IonicContact CZ-OE1 3.6Å; R13-E24 IonicContact NE-OE1 3.88Å; R13-E24 IonicContact NH2-OE1 2.78Å; R13-E24 PolarHBondContact NH2-OE1 3.39Å; E24-K42 WeakPolarHBondContact OE2-CE 3.42Å; E24-K42 IonicContact OE2-NZ 3.59Å; E24-K42 PolarHBondContact OE2-NZ 3.25Å; E24-L57 HydrophobicContact CG-CD2 4.05Å
25V89.9Confident82.3Confident2 Ų264.2 Ų64.21%0.01237%0.372CS..EExtended strand (participates in β ladder)trans-134.4150.3-179.4-56.60000109.4V11 V12 Y23 V39 K40 Y41V11-V25 CarbonylContact C-O 3.56Å; V11-V25 WeakPolarHBondContact CA-O 3.41Å; V12-V25 HydrophobicContact CG2-CG2 3.61Å; V12-V25 PolarHBondContact N-O 3.26Å; V12-V25 PolarHBondContact O-N 3.31Å; Y23-V25 PolarHBondContact O-N 2.99Å; V25-V39 HydrophobicContact CB-CB 3.95Å; V25-V39 HydrophobicContact CB-CG2 4.13Å; V25-V39 HydrophobicContact CG1-CG2 4.28Å; V25-V39 HydrophobicContact CG2-CB 3.79Å; V25-V39 HydrophobicContact CG2-CG1 4.01Å; V25-V39 HydrophobicContact CG2-CG2 4.08Å; V25-K40 CarbonylContact C-O 3.53Å; V25-K40 VanDerWaalsContact CA-O 3.26Å; V25-K40 WeakPolarHBondContact CA-O 3.13Å; V25-Y41 HydrophobicContact CG1-CD1 3.38Å; V25-Y41 HydrophobicContact CG1-CD2 3.9Å; V25-Y41 HydrophobicContact CG1-CE1 3.34Å; V25-Y41 HydrophobicContact CG1-CE2 3.85Å; V25-Y41 HydrophobicContact CG1-CG 3.67Å
26E90.4Very high82.3Confident89 Ų8961.5 Ų61.542%0.41636%0.364SS..EExtended strand (participates in β ladder)trans-101.4132.3174.1-174.7178.8179.900109V39 K40E26-V39 CarbonylContact O-C 3.52Å; E26-V39 VanDerWaalsContact O-CA 3.32Å; E26-V39 WeakPolarHBondContact O-CA 3.47Å; E26-K40 PolarHBondContact N-O 3.27Å; E26-K40 PolarHBondContact O-N 3.32Å
27I89.7Confident82.5Confident0 Ų058.7 Ų58.70%035%0.353CS..EExtended strand (participates in β ladder)trans-80.2126178.4-65.4166.7000109.4F6 A7 G9 E10 V12 Y37 V39F6-I27 HydrophobicContact CB-CD1 3.17Å; F6-I27 HydrophobicContact CG-CD1 3.94Å; A7-I27 WeakPolarHBondContact O-CB 3.37Å; G9-I27 PolarHBondContact N-O 3.15Å; E10-I27 PolarHBondContact O-N 2.85Å; E10-I27 VanDerWaalsContact O-N 3.08Å; V12-I27 HydrophobicContact CB-CD1 4.43Å; V12-I27 HydrophobicContact CG1-CD1 3.8Å; V12-I27 HydrophobicContact CG2-CD1 3.74Å; V12-I27 HydrophobicContact CG2-CG1 3.76Å; I27-Y37 HydrophobicContact CD1-CD1 4.33Å; I27-Y37 HydrophobicContact CG2-CD1 3.91Å; I27-V39 HydrophobicContact CG1-CG1 4.13Å
28L87.6Confident83.1Confident64 Ų6456.7 Ų56.734%0.33534%0.34SS..EExtended strand (participates in β ladder)trans-95.8-44.3178.7-64.2-179.3000112.5T38 K40 E46L28-T38 HydrophobicContact CB-CG2 4.31Å; L28-T38 HydrophobicContact CD1-CG2 4.29Å; L28-T38 PolarHBondContact N-O 3.27Å; L28-K40 HydrophobicContact CD1-CB 3.93Å; L28-K40 HydrophobicContact CD1-CD 4.42Å; L28-K40 HydrophobicContact CD2-CB 4.22Å; L28-K40 HydrophobicContact CD2-CD 4.37Å; L28-K40 HydrophobicContact CG-CB 4Å; L28-E46 HydrophobicContact CD1-CG 3.88Å
29S85.2Confident84.1Confident55 Ų5552 Ų5239%0.38529%0.292SS..EExtended strand (participates in β ladder)trans-157.4159.3-179.363.50000111.6D8 T38D8-S29 VanDerWaalsContact OD1-CA 3.32Å; D8-S29 WeakPolarHBondContact OD1-CA 3.47Å; S29-T38 PolarHBondContact N-O 3.44Å; S29-T38 PolarHBondContact O-N 2.88Å; S29-T38 WeakPolarHBondContact OG-CB 3.34Å; S29-T38 PolarHBondContact OG-OG1 2.92Å
30H85.9Confident84.8Confident37 Ų3754.2 Ų54.217%0.17130%0.297CS..EExtended strand (participates in β ladder)trans-127119.9174.9171.2-101.4000110S32 Y37H30-S32 PolarHBondContact O-N 3.13Å; H30-Y37 HydrophobicContact CB-CD1 3.87Å; H30-Y37 HydrophobicContact CB-CE1 3.77Å; H30-Y37 AromaticContact CD2-CD1 3.78Å; H30-Y37 AromaticContact CD2-CD2 3.76Å; H30-Y37 AromaticContact CD2-CE1 3.45Å; H30-Y37 VanDerWaalsContact CD2-CE1 3.45Å; H30-Y37 WeakPolarHBondContact CD2-CE1 3.26Å; H30-Y37 AromaticContact CD2-CE2 3.44Å; H30-Y37 VanDerWaalsContact CD2-CE2 3.44Å; H30-Y37 WeakPolarHBondContact CD2-CE2 3.31Å; H30-Y37 AromaticContact CD2-CG 3.93Å; H30-Y37 AromaticContact CD2-CZ 3.26Å; H30-Y37 AromaticContact CG-CE1 3.78Å; H30-Y37 AromaticContact CG-CZ 3.96Å; H30-Y37 AromaticContact NE2-CE2 3.89Å; H30-Y37 AromaticContact NE2-CZ 3.85Å
31D85Confident85.2Confident68 Ų6850.3 Ų50.336%0.36427%0.268SS..EExtended strand (participates in β ladder)trans-88.7108.1173.8178.210.6000110.2T33 S34 Q35 L36D31-T33 VanDerWaalsContact CG-OG1 3.32Å; D31-T33 PolarHBondContact O-N 3.1Å; D31-T33 PolarHBondContact OD1-N 2.85Å; D31-T33 PolarHBondContact OD1-OG1 2.95Å; D31-T33 PolarHBondContact OD2-OG1 3.47Å; D31-S34 WeakPolarHBondContact CB-OG 3.28Å; D31-S34 PolarHBondContact O-N 3.46Å; D31-S34 WeakPolarHBondContact OD2-CB 3.46Å; D31-S34 PolarHBondContact OD2-OG 2.89Å; D31-Q35 WeakPolarHBondContact O-CA 3.37Å; D31-Q35 PolarHBondContact O-N 3.4Å; D31-L36 PolarHBondContact N-O 3.27Å
32S73.7Confident85.1Confident80 Ų8054 Ų5456%0.55928%0.281SS*.THydrogen-bonded Turntrans-63.9-20.1-179.762.70000114.4H30 Q35H30-S32 PolarHBondContact O-N 3.13Å; S32-Q35 PolarHBondContact O-NE2 3.25Å
33T75Confident84.1Confident124 Ų12454.7 Ų54.776%0.76129%0.287SS*.THydrogen-bonded Turntrans-85.3-39.3-17961.70000112.6D31D31-T33 VanDerWaalsContact CG-OG1 3.32Å; D31-T33 PolarHBondContact O-N 3.1Å; D31-T33 PolarHBondContact OD1-N 2.85Å; D31-T33 PolarHBondContact OD1-OG1 2.95Å; D31-T33 PolarHBondContact OD2-OG1 3.47Å
34S75.3Confident83.5Confident53 Ų5353.4 Ų53.437%0.37130%0.295SS..THydrogen-bonded Turntrans-95.2-10.3178.961.30000114.2D31 L36D31-S34 WeakPolarHBondContact CB-OG 3.28Å; D31-S34 PolarHBondContact O-N 3.46Å; D31-S34 WeakPolarHBondContact OD2-CB 3.46Å; D31-S34 PolarHBondContact OD2-OG 2.89Å; S34-L36 PolarHBondContact O-N 3.16Å
35Q80.1Confident83.1Confident66 Ų6652.1 Ų52.131%0.30829%0.291SS..THydrogen-bonded Turntrans57.431.4-174.6-58.8-71.5-54.500112.7D31 S32D31-Q35 WeakPolarHBondContact O-CA 3.37Å; D31-Q35 PolarHBondContact O-N 3.4Å; S32-Q35 PolarHBondContact O-NE2 3.25Å
36L86.9Confident83.1Confident36 Ų3657.4 Ų57.419%0.18832%0.316CS..EExtended strand (participates in β ladder)trans-105.7142.1178-64.7174000110.5D31 S34 E48 K50D31-L36 PolarHBondContact N-O 3.27Å; S34-L36 PolarHBondContact O-N 3.16Å; L36-E48 HydrophobicContact CB-CB 4.44Å; L36-E48 HydrophobicContact CD1-CB 4.39Å; L36-K50 HydrophobicContact CD2-CB 4.4Å; L36-K50 HydrophobicContact CD2-CG 3.53Å
37Y87.7Confident82.9Confident1 Ų155.5 Ų55.50%0.00431%0.308CS..EExtended strand (participates in β ladder)trans-106.1123.7173.4-74.9-90.7000109.1K5 F6 I27 H30 V39 E48 L49 E51 I54K5-Y37 PolarHBondContact N-OH 3.1Å; F6-Y37 HydrophobicContact CB-CE1 4.17Å; I27-Y37 HydrophobicContact CD1-CD1 4.33Å; I27-Y37 HydrophobicContact CG2-CD1 3.91Å; H30-Y37 HydrophobicContact CB-CD1 3.87Å; H30-Y37 HydrophobicContact CB-CE1 3.77Å; H30-Y37 AromaticContact CD2-CD1 3.78Å; H30-Y37 AromaticContact CD2-CD2 3.76Å; H30-Y37 AromaticContact CD2-CE1 3.45Å; H30-Y37 VanDerWaalsContact CD2-CE1 3.45Å; H30-Y37 WeakPolarHBondContact CD2-CE1 3.26Å; H30-Y37 AromaticContact CD2-CE2 3.44Å; H30-Y37 VanDerWaalsContact CD2-CE2 3.44Å; H30-Y37 WeakPolarHBondContact CD2-CE2 3.31Å; H30-Y37 AromaticContact CD2-CG 3.93Å; H30-Y37 AromaticContact CD2-CZ 3.26Å; H30-Y37 AromaticContact CG-CE1 3.78Å; H30-Y37 AromaticContact CG-CZ 3.96Å; H30-Y37 AromaticContact NE2-CE2 3.89Å; H30-Y37 AromaticContact NE2-CZ 3.85Å; Y37-V39 PolarHBondContact O-N 2.96Å; Y37-E48 CarbonylContact O-C 3.58Å; Y37-E48 WeakPolarHBondContact O-CA 3.35Å; Y37-L49 PolarHBondContact N-O 2.94Å; Y37-L49 PolarHBondContact O-N 3.28Å; Y37-E51 HydrophobicContact CD2-CB 4.47Å; Y37-E51 HydrophobicContact CE2-CB 4.05Å; Y37-E51 HydrophobicContact CE2-CG 3.97Å; Y37-I54 VanDerWaalsContact CB-CD1 3.46Å; Y37-I54 HydrophobicContact CD1-CD1 4.47Å; Y37-I54 HydrophobicContact CD2-CD1 3.8Å; Y37-I54 HydrophobicContact CG-CD1 3.67Å
38T88.4Confident82.9Confident30 Ų3061.9 Ų61.918%0.18434%0.338CS..EExtended strand (participates in β ladder)trans-80117.5169.3-54.90000107.9L28 S29L28-T38 HydrophobicContact CB-CG2 4.31Å; L28-T38 HydrophobicContact CD1-CG2 4.29Å; L28-T38 PolarHBondContact N-O 3.27Å; S29-T38 PolarHBondContact N-O 3.44Å; S29-T38 PolarHBondContact O-N 2.88Å; S29-T38 WeakPolarHBondContact OG-CB 3.34Å; S29-T38 PolarHBondContact OG-OG1 2.92Å
39V90.4Very high82.9Confident0 Ų059.1 Ų59.10%032%0.323CS..EExtended strand (participates in β ladder)trans-119.9145.3-178.1-55.10000111.4V25 E26 I27 Y37 Y41 E46 L47 L49 I54V25-V39 HydrophobicContact CB-CB 3.95Å; V25-V39 HydrophobicContact CB-CG2 4.13Å; V25-V39 HydrophobicContact CG1-CG2 4.28Å; V25-V39 HydrophobicContact CG2-CB 3.79Å; V25-V39 HydrophobicContact CG2-CG1 4.01Å; V25-V39 HydrophobicContact CG2-CG2 4.08Å; E26-V39 CarbonylContact O-C 3.52Å; E26-V39 VanDerWaalsContact O-CA 3.32Å; E26-V39 WeakPolarHBondContact O-CA 3.47Å; I27-V39 HydrophobicContact CG1-CG1 4.13Å; Y37-V39 PolarHBondContact O-N 2.96Å; V39-Y41 HydrophobicContact CG2-CD2 4.37Å; V39-Y41 HydrophobicContact CG2-CE2 3.76Å; V39-E46 WeakPolarHBondContact O-CA 3.42Å; V39-L47 WeakPolarHBondContact CG2-O 3.42Å; V39-L47 PolarHBondContact N-O 2.97Å; V39-L47 PolarHBondContact O-N 3.3Å; V39-L49 HydrophobicContact CG1-CD1 4.44Å; V39-L49 HydrophobicContact CG2-CD1 3.57Å; V39-L49 HydrophobicContact CG2-CG 3.84Å; V39-I54 HydrophobicContact CG1-CD1 4.09Å
40K88.1Confident82.9Confident79 Ų7962.6 Ų62.634%0.34333%0.332SS..EExtended strand (participates in β ladder)trans-108.6122.6176-170.6172.3-176.8169.30110.6V25 E26 L28 T45 E46V25-K40 CarbonylContact C-O 3.53Å; V25-K40 VanDerWaalsContact CA-O 3.26Å; V25-K40 WeakPolarHBondContact CA-O 3.13Å; E26-K40 PolarHBondContact N-O 3.27Å; E26-K40 PolarHBondContact O-N 3.32Å; L28-K40 HydrophobicContact CD1-CB 3.93Å; L28-K40 HydrophobicContact CD1-CD 4.42Å; L28-K40 HydrophobicContact CD2-CB 4.22Å; L28-K40 HydrophobicContact CD2-CD 4.37Å; L28-K40 HydrophobicContact CG-CB 4Å; K40-T45 WeakPolarHBondContact CA-O 3.44Å; K40-E46 HydrophobicContact CB-CG 4.42Å; K40-E46 HydrophobicContact CG-CG 4.27Å
41Y86.6Confident82.9Confident11 Ų1162.8 Ų62.84%0.04333%0.333CS..EExtended strand (participates in β ladder)trans-80.4157.7174.9-72.2-100.9000110.7R15 W16 Y23 V25 V39 D43 G44 T45 L47R15-Y41 PolarHBondContact O-OH 3.48Å; W16-Y41 AromaticContact CE3-CD1 3.91Å; W16-Y41 HydrophobicContact CE3-CD1 3.91Å; W16-Y41 AromaticContact CE3-CE1 3.45Å; W16-Y41 HydrophobicContact CE3-CE1 3.45Å; W16-Y41 VanDerWaalsContact CE3-CE1 3.45Å; W16-Y41 HydrophobicContact CE3-CE2 4.31Å; W16-Y41 AromaticContact CE3-CZ 3.66Å; W16-Y41 AromaticContact CZ3-CD1 3.85Å; W16-Y41 HydrophobicContact CZ3-CD1 3.85Å; W16-Y41 HydrophobicContact CZ3-CD2 4.23Å; W16-Y41 AromaticContact CZ3-CE1 3.84Å; W16-Y41 HydrophobicContact CZ3-CE1 3.84Å; W16-Y41 HydrophobicContact CZ3-CE2 4.23Å; W16-Y41 HydrophobicContact CZ3-CG 4.05Å; Y23-Y41 HydrophobicContact CD2-CE1 4.41Å; V25-Y41 HydrophobicContact CG1-CD1 3.38Å; V25-Y41 HydrophobicContact CG1-CD2 3.9Å; V25-Y41 HydrophobicContact CG1-CE1 3.34Å; V25-Y41 HydrophobicContact CG1-CE2 3.85Å; V25-Y41 HydrophobicContact CG1-CG 3.67Å; V39-Y41 HydrophobicContact CG2-CD2 4.37Å; V39-Y41 HydrophobicContact CG2-CE2 3.76Å; Y41-D43 WeakPolarHBondContact CB-OD1 3.49Å; Y41-D43 PolarHBondContact O-N 2.9Å; Y41-G44 PolarHBondContact O-N 3.4Å; Y41-T45 WeakPolarHBondContact CD2-O 3.42Å; Y41-T45 PolarHBondContact N-O 3.28Å; Y41-L47 HydrophobicContact CD2-CD1 4.25Å; Y41-L47 HydrophobicContact CE2-CB 4.07Å; Y41-L47 HydrophobicContact CE2-CD1 3.61Å; Y41-L47 HydrophobicContact CE2-CG 4.23Å
42K78.3Confident82.8Confident172 Ų17266.2 Ų66.275%0.74835%0.351SS*.THydrogen-bonded Turntrans-55.8-20.7177.6-75.9-175.3165.4178.10114.7E24 G44E24-K42 WeakPolarHBondContact OE2-CE 3.42Å; E24-K42 IonicContact OE2-NZ 3.59Å; E24-K42 PolarHBondContact OE2-NZ 3.25Å; K42-G44 VanDerWaalsContact C-N 3.34Å
43D66.7Low83.4Confident54 Ų5464.3 Ų64.329%0.28933%0.334SS..THydrogen-bonded Turntrans-86.7-3.6177.460.95.4000114Y41 T45 K601Y41-D43 WeakPolarHBondContact CB-OD1 3.49Å; Y41-D43 PolarHBondContact O-N 2.9Å; D43-T45 VanDerWaalsContact CG-OG1 3.24Å; D43-T45 WeakPolarHBondContact OD1-CB 3.41Å; D43-T45 PolarHBondContact OD1-N 3.47Å; D43-T45 PolarHBondContact OD1-OG1 2.9Å; D43-T45 PolarHBondContact OD2-OG1 2.88Å; D43-K601 PolarHBondContact O-NZ 2.98Å
44G73.9Confident84Confident43 Ų4358.9 Ų58.944%0.44330%0.301SS..SBendtrans93.62.6-179.100000114.6Y41 K42Y41-G44 PolarHBondContact O-N 3.4Å; K42-G44 VanDerWaalsContact C-N 3.34Å
45T81Confident84.6Confident30 Ų3060 Ų6018%0.18430%0.299CS..  trans-73.9131.8179.2-45.80000110.7W16 K40 Y41 D43 L47W16-T45 HydrophobicContact CH2-CG2 4.46Å; K40-T45 WeakPolarHBondContact CA-O 3.44Å; Y41-T45 WeakPolarHBondContact CD2-O 3.42Å; Y41-T45 PolarHBondContact N-O 3.28Å; D43-T45 VanDerWaalsContact CG-OG1 3.24Å; D43-T45 WeakPolarHBondContact OD1-CB 3.41Å; D43-T45 PolarHBondContact OD1-N 3.47Å; D43-T45 PolarHBondContact OD1-OG1 2.9Å; D43-T45 PolarHBondContact OD2-OG1 2.88Å; T45-L47 HydrophobicContact CG2-CD1 4.34Å; T45-L47 HydrophobicContact CG2-CG 4.15Å
46E89.1Confident84.8Confident114 Ų11459.5 Ų59.553%0.53330%0.301SS..EExtended strand (participates in β ladder)trans-104.8127.3174.7-66.2178.3-173.100109.9L28 V39 K40L28-E46 HydrophobicContact CD1-CG 3.88Å; V39-E46 WeakPolarHBondContact O-CA 3.42Å; K40-E46 HydrophobicContact CB-CG 4.42Å; K40-E46 HydrophobicContact CG-CG 4.27Å
47L86.8Confident84.6Confident49 Ų4961.6 Ų61.626%0.25731%0.312SS..EExtended strand (participates in β ladder)trans-139.9147.9-178.7-72.1170.2000110.7W16 P17 V39 Y41 T45W16-L47 HydrophobicContact CE3-CD1 4.38Å; W16-L47 HydrophobicContact CH2-CD1 4.28Å; W16-L47 HydrophobicContact CZ3-CD1 4.09Å; P17-L47 HydrophobicContact CG-CD1 3.96Å; V39-L47 WeakPolarHBondContact CG2-O 3.42Å; V39-L47 PolarHBondContact N-O 2.97Å; V39-L47 PolarHBondContact O-N 3.3Å; Y41-L47 HydrophobicContact CD2-CD1 4.25Å; Y41-L47 HydrophobicContact CE2-CB 4.07Å; Y41-L47 HydrophobicContact CE2-CD1 3.61Å; Y41-L47 HydrophobicContact CE2-CG 4.23Å; T45-L47 HydrophobicContact CG2-CD1 4.34Å; T45-L47 HydrophobicContact CG2-CG 4.15Å
48E89.3Confident84Confident133 Ų13366.3 Ų66.362%0.62134%0.341SS*.EExtended strand (participates in β ladder)trans-89.8121.8171.8-66.7177.6-179.200110L36 Y37L36-E48 HydrophobicContact CB-CB 4.44Å; L36-E48 HydrophobicContact CD1-CB 4.39Å; Y37-E48 CarbonylContact O-C 3.58Å; Y37-E48 WeakPolarHBondContact O-CA 3.35Å
49L86.7Confident83.3Confident6 Ų667.8 Ų67.83%0.03135%0.353CS..EExtended strand (participates in β ladder)trans-117144.1178-64.6-177000111R15 P17 Y37 V39 I54R15-L49 VanDerWaalsContact O-CD2 3.27Å; R15-L49 WeakPolarHBondContact O-CD2 3.45Å; P17-L49 HydrophobicContact CG-CD2 4.36Å; Y37-L49 PolarHBondContact N-O 2.94Å; Y37-L49 PolarHBondContact O-N 3.28Å; V39-L49 HydrophobicContact CG1-CD1 4.44Å; V39-L49 HydrophobicContact CG2-CD1 3.57Å; V39-L49 HydrophobicContact CG2-CG 3.84Å; L49-I54 HydrophobicContact CB-CD1 4.15Å; L49-I54 HydrophobicContact CB-CG1 4.11Å; L49-I54 HydrophobicContact CD1-CG1 4.22Å
50K87.1Confident82.1Confident129 Ų12972.4 Ų72.456%0.56137%0.373SS*.EExtended strand (participates in β ladder)trans-72152.3168.3-68.8179.9179.7-178.20109.8L36 N52 D53L36-K50 HydrophobicContact CD2-CB 4.4Å; L36-K50 HydrophobicContact CD2-CG 3.53Å; K50-N52 PolarHBondContact O-N 2.99Å; K50-N52 VanDerWaalsContact O-N 3.14Å; K50-D53 WeakPolarHBondContact O-CA 3.43Å; K50-D53 WeakPolarHBondContact O-CB 3.35Å; K50-D53 PolarHBondContact O-N 3.19Å
51E84.3Confident80.5Confident41 Ų4178.9 Ų78.919%0.19240%0.395CS..G310 helixtrans-53.8-36.7178.4-165.9-173.6168.800113.5K5 Y37 D53 I54K5-E51 WeakPolarHBondContact CD-OE1 3.42Å; K5-E51 WeakPolarHBondContact CE-OE1 3.44Å; K5-E51 WeakPolarHBondContact CG-OE1 3.35Å; K5-E51 IonicContact NZ-OE1 3.74Å; K5-E51 PolarHBondContact NZ-OE1 3.21Å; Y37-E51 HydrophobicContact CD2-CB 4.47Å; Y37-E51 HydrophobicContact CE2-CB 4.05Å; Y37-E51 HydrophobicContact CE2-CG 3.97Å; E51-D53 PolarHBondContact O-N 3.01Å; E51-I54 PolarHBondContact O-N 3.04Å; E51-I54 VanDerWaalsContact O-N 3.11Å
52N84.1Confident78.8Confident140 Ų14087.2 Ų87.275%0.74944%0.435SS*.G310 helixtrans-64.7-22.3177.4-69.9-24000114.1K50 I54K50-N52 PolarHBondContact O-N 2.99Å; K50-N52 VanDerWaalsContact O-N 3.14Å; N52-I54 VanDerWaalsContact C-N 3.31Å
53D86.1Confident77Confident40 Ų4090.7 Ų90.721%0.21444%0.443CS..G310 helixtrans-93.57.6-179.9-72.1-40.5000111.6R15 Y22 K50 E51R15-D53 HydrophobicContact CB-CB 3.86Å; R15-D53 VanDerWaalsContact CB-O 3.28Å; R15-D53 WeakPolarHBondContact CB-O 3.33Å; R15-D53 WeakPolarHBondContact CD-OD1 3.37Å; R15-D53 IonicContact CZ-OD1 3.73Å; R15-D53 PolarHBondContact N-O 3.41Å; R15-D53 IonicContact NE-OD1 2.77Å; R15-D53 IonicContact NH1-OD1 3.56Å; R15-D53 PolarHBondContact NH1-OD1 3.2Å; Y22-D53 WeakPolarHBondContact CE1-O 3.42Å; K50-D53 WeakPolarHBondContact O-CA 3.43Å; K50-D53 WeakPolarHBondContact O-CB 3.35Å; K50-D53 PolarHBondContact O-N 3.19Å; E51-D53 PolarHBondContact O-N 3.01Å
54I87Confident75.8Confident10 Ų1098.2 Ų98.25%0.05147%0.473CS..EExtended strand (participates in β ladder)trans-117.4134.9175.4-59.4175.8000109.7F6 V12 R13 Y37 V39 L49 E51 N52F6-I54 HydrophobicContact CD2-CG2 3.89Å; F6-I54 HydrophobicContact CE1-CG2 4.34Å; F6-I54 HydrophobicContact CE2-CB 4Å; F6-I54 HydrophobicContact CE2-CG2 3.54Å; F6-I54 HydrophobicContact CG-CG2 4.43Å; F6-I54 HydrophobicContact CZ-CG2 3.78Å; V12-I54 HydrophobicContact CB-CG2 3.84Å; V12-I54 HydrophobicContact CG1-CG2 4.42Å; V12-I54 HydrophobicContact CG2-CG2 3.51Å; R13-I54 CarbonylContact O-C 3.42Å; R13-I54 WeakPolarHBondContact O-CA 3.44Å; Y37-I54 VanDerWaalsContact CB-CD1 3.46Å; Y37-I54 HydrophobicContact CD1-CD1 4.47Å; Y37-I54 HydrophobicContact CD2-CD1 3.8Å; Y37-I54 HydrophobicContact CG-CD1 3.67Å; V39-I54 HydrophobicContact CG1-CD1 4.09Å; L49-I54 HydrophobicContact CB-CD1 4.15Å; L49-I54 HydrophobicContact CB-CG1 4.11Å; L49-I54 HydrophobicContact CD1-CG1 4.22Å; E51-I54 PolarHBondContact O-N 3.04Å; E51-I54 VanDerWaalsContact O-N 3.11Å; N52-I54 VanDerWaalsContact C-N 3.31Å
55K87.7Confident74.1Confident76 Ų7699.6 Ų99.633%0.3349%0.487SS..EExtended strand (participates in β ladder)trans-128.6145.7177.9-74.3-175.7176.6178.40110.7R13 Y22 F60R13-K55 WeakPolarHBondContact CA-O 3.39Å; R13-K55 HydrophobicContact CB-CB 4.34Å; R13-K55 WeakPolarHBondContact CB-O 3.48Å; R13-K55 PolarHBondContact N-O 3.47Å; R13-K55 PolarHBondContact O-N 2.87Å; Y22-K55 HydrophobicContact CD1-CB 4.31Å; Y22-K55 HydrophobicContact CD1-CD 4.2Å; Y22-K55 HydrophobicContact CD1-CG 4.25Å; Y22-K55 HydrophobicContact CE1-CB 4.23Å; Y22-K55 HydrophobicContact CE1-CD 3.72Å; Y22-K55 HydrophobicContact CE1-CG 3.71Å; Y22-K55 HydrophobicContact CE2-CD 4.24Å; Y22-K55 WeakPolarHBondContact OH-CE 3.44Å; K55-F60 HydrophobicContact CB-CE2 4.02Å; K55-F60 HydrophobicContact CD-CE2 3.67Å; K55-F60 HydrophobicContact CD-CZ 3.72Å; K55-F60 HydrophobicContact CG-CE2 4.47Å
56P85.5Confident72.1Confident55 Ų55102 Ų10236%0.35752%0.518SS..  trans-65.5151.9173.624.6-30.4000110.9F6 T58 S59F6-P56 HydrophobicContact CE1-CB 4.37Å; P56-T58 PolarHBondContact O-N 2.99Å; P56-S59 WeakPolarHBondContact CD-OG 3.3Å; P56-S59 VanDerWaalsContact CG-OG 3.3Å; P56-S59 WeakPolarHBondContact CG-OG 3.39Å; P56-S59 WeakPolarHBondContact O-CB 3.46Å; P56-S59 PolarHBondContact O-N 3.26Å; P56-S59 PolarHBondContact O-OG 3.07Å
57L81.2Confident69.8Low80 Ų80101.5 Ų101.542%0.41953%0.527SS..G310 helixtrans-54.8-29179.3-79.4164.3000113.3V11 R13 E24 S59V11-L57 HydrophobicContact CB-CD1 4.24Å; V11-L57 HydrophobicContact CG1-CD1 4.24Å; V11-L57 WeakPolarHBondContact O-CD1 3.19Å; V11-L57 WeakPolarHBondContact O-CG 3.46Å; R13-L57 HydrophobicContact CG-CD2 4.23Å; E24-L57 HydrophobicContact CG-CD2 4.05Å; L57-S59 VanDerWaalsContact C-N 3.29Å; L57-S59 PolarHBondContact O-N 3.5Å
58T75.6Confident67.6Low101 Ų101106.4 Ų106.462%0.6256%0.56SS**G310 helixtrans-71.5-19.6-178.751.80000114P56 F60 R61P56-T58 PolarHBondContact O-N 2.99Å; T58-F60 PolarHBondContact O-N 3.3Å; T58-F60 VanDerWaalsContact O-N 3.11Å; T58-R61 PolarHBondContact O-N 3.21Å
59S73.8Confident65.1Low61 Ų61104.8 Ų104.843%0.42756%0.563SS.*G310 helixtrans-61.8-22.3-176.2-38.20000114.3P56 L57P56-S59 WeakPolarHBondContact CD-OG 3.3Å; P56-S59 VanDerWaalsContact CG-OG 3.3Å; P56-S59 WeakPolarHBondContact CG-OG 3.39Å; P56-S59 WeakPolarHBondContact O-CB 3.46Å; P56-S59 PolarHBondContact O-N 3.26Å; P56-S59 PolarHBondContact O-OG 3.07Å; L57-S59 VanDerWaalsContact C-N 3.29Å; L57-S59 PolarHBondContact O-N 3.5Å
60F65.9Low62.6Low97 Ų97110 Ų11043%0.42560%0.6SS.*G310 helixtrans-118.716-170.5-66.6-80.8000113.6R13 Y22 K55 T58 Q62R13-F60 HydrophobicContact CB-CD2 4.43Å; R13-F60 HydrophobicContact CB-CE2 4.28Å; R13-F60 HydrophobicContact CG-CD2 4.21Å; Y22-F60 HydrophobicContact CD1-CE2 4.46Å; Y22-F60 HydrophobicContact CD2-CE2 4.4Å; Y22-F60 AromaticContact CD2-CZ 3.75Å; Y22-F60 HydrophobicContact CD2-CZ 3.75Å; Y22-F60 HydrophobicContact CE2-CZ 4.33Å; Y22-F60 HydrophobicContact CG-CE2 4.07Å; Y22-F60 AromaticContact CG-CZ 3.87Å; Y22-F60 HydrophobicContact CG-CZ 3.87Å; K55-F60 HydrophobicContact CB-CE2 4.02Å; K55-F60 HydrophobicContact CD-CE2 3.67Å; K55-F60 HydrophobicContact CD-CZ 3.72Å; K55-F60 HydrophobicContact CG-CE2 4.47Å; T58-F60 PolarHBondContact O-N 3.3Å; T58-F60 VanDerWaalsContact O-N 3.11Å; F60-Q62 PolarHBondContact O-N 3.07Å; F60-Q62 VanDerWaalsContact O-N 3.09Å
61R53.3Low60Low215 Ų215109.4 Ų109.481%0.81161%0.612SS**  trans-62.2115.2172.6-91.1-174.4170.8-176.1-1.2109.8T58 R63T58-R61 PolarHBondContact O-N 3.21Å; R61-R63 PolarHBondContact O-N 3.38Å
62Q51Low57.8Low186 Ų186113.2 Ų113.287%0.86964%0.641SS**  trans-53.2125.3165-82.2179.5-27.800108.6F60 K64F60-Q62 PolarHBondContact O-N 3.07Å; F60-Q62 VanDerWaalsContact O-N 3.09Å; Q62-K64 PolarHBondContact O-N 3.33Å
63R41.4Very low55.4Low245 Ų245112.1 Ų112.193%0.92564%0.644SS**  trans-54108.6166.4-88.9179.1166.6173.8-4.3107.7R61 G65R61-R63 PolarHBondContact O-N 3.38Å; R63-G65 VanDerWaalsContact C-N 3.34Å; R63-G65 PolarHBondContact O-N 3.21Å
64K41.7Very low53Low211 Ų211121.9 Ų121.992%0.91768%0.678SS**  trans-61.7102.7158.2-84.5-175.6174-178.10105.9Q62 G66Q62-K64 PolarHBondContact O-N 3.33Å; K64-G66 PolarHBondContact O-N 3.37Å
65G38Very low50.6Low72 Ų72133 Ų13374%0.74272%0.719SS**  trans-63.6101.7177.100000109.9R63 S67R63-G65 VanDerWaalsContact C-N 3.34Å; R63-G65 PolarHBondContact O-N 3.21Å; G65-S67 PolarHBondContact O-N 3.46Å
66G39.5Very low48Very low81 Ų81141.8 Ų141.884%0.83575%0.75SS**  trans-76.9102.9158.400000108.1K64K64-G66 PolarHBondContact O-N 3.37Å
67S39.3Very low45.5Very low103 Ų103142.8 Ų142.872%0.7277%0.77SS**  trans-136.180.3165.463.20000109.1G65 S69G65-S67 PolarHBondContact O-N 3.46Å; S67-S69 VanDerWaalsContact C-N 3.31Å; S67-S69 PolarHBondContact O-N 3.49Å
68T40.8Very low43.2Very low152 Ų152144.2 Ų144.293%0.93379%0.787SS**  trans-72.691.2151.826.80000107.4
69S37.4Very low41.2Very low99 Ų99150.4 Ų150.469%0.69280%0.799SS**  trans-133.1117.1156.567.40000108.4S67 S71S67-S69 VanDerWaalsContact C-N 3.31Å; S67-S69 PolarHBondContact O-N 3.49Å; S69-S71 PolarHBondContact O-N 3.41Å
70S33.9Very low39.2Very low117 Ų117152 Ų15282%0.81881%0.81SS**PPolyproline II helixtrans-57119.1-177.547.80000111.9
71S33Very low37.5Very low116 Ų116158.7 Ų158.781%0.81183%0.833SS**PPolyproline II helixtrans-80.4127.2162.9-68.30000109.3S69S69-S71 PolarHBondContact O-N 3.41Å
72P37.8Very low36.5Very low121 Ų121153.1 Ų153.179%0.78683%0.827SS**PPolyproline II helixtrans-71.3135.8-179.9-12.327000111.3R74P72-R74 PolarHBondContact O-N 2.87Å
73S33.5Very low35.6Very low116 Ų116155.2 Ų155.281%0.81183%0.827SS**PPolyproline II helixtrans-54.6129.1173.748.30000112.3
74R36.7Very low35.2Very low246 Ų246148.2 Ų148.293%0.92882%0.815SS**  trans-119112.9158.9-81.4-170.9-176.7-179.22.5110.6P72P72-R74 PolarHBondContact O-N 2.87Å
75R35Very low34.8Very low242 Ų242149.5 Ų149.591%0.91381%0.814SS**  trans-46.8137172.7-70.5171167.4178.9-5.2112.2
76R33.3Very low34.9Very low261 Ų261151.4 Ų151.499%0.98582%0.816SS**  trans-74.4116.4156.8-81.7-179.3171.6-176.3-2.5108.3
77G32.7Very low35.3Very low76 Ų76153.8 Ų153.878%0.78482%0.817SS**  trans-128.9125.8167.500000108.6
78S33.8Very low34.8Very low110 Ų110152.6 Ų152.677%0.76982%0.821SS**  trans-81166.5-175.650.90000113.1
79R32.7Very low34.6Very low231 Ų231156.7 Ų156.787%0.87282%0.819SS**  trans97.4107.9157.5-68.8179.5169.6163.3-2.3119.3
80S31.6Very low35Very low96 Ų96157.3 Ų157.367%0.67182%0.821SS**  45.8123.1124.171.60000121.2
81R32.1Very low35.7Very low236 Ų236156.9 Ų156.989%0.89182%0.815SS**  166.1131.3103.6-96.4177.6176.1161.9-2.3112.5
82S31.1Very low35.6Very low99 Ų99161.7 Ų161.769%0.69282%0.822SS**  trans1.7147.3149.257.90000123.9
83R32.9Very low35.2Very low230 Ų230161.4 Ų161.487%0.86882%0.823SS**  trans88.9111.3135.2-87.4178.1179.3175.9-0.1120.4
84S32.6Very low35.1Very low97 Ų97160 Ų16068%0.67882%0.818SS**  105.7141116.782.20000120.3
85R33.3Very low34.7Very low238 Ų238160.2 Ų160.290%0.89882%0.819SS**  trans80.9104150.3-72.1173.2172.9-176.4-2.6119.5
86S39.7Very low34.5Very low112 Ų112160.5 Ų160.578%0.78382%0.82SS**  trans-61.8154.8137.3-40.70000109.4
87P47.5Very low34.3Very low131 Ų131153.9 Ų153.985%0.85181%0.814SS**  -152.3172.575.237.2-16.6000115.5
88G30.5Very low34.1Very low78 Ų78155.2 Ų155.280%0.80482%0.817SS**  trans131.994.9152.600000117.4
89R35.1Very low33.9Very low238 Ų238155.4 Ų155.490%0.89882%0.819SS**  trans-78.7174.9159.8-136.7-170.6177.1-175.80.8107.8
90P46.7Very low33.8Very low112 Ų112149.7 Ų149.773%0.72782%0.821SS**  cis-151.4-148.32050.8-27000115.3
91P47.9Very low33.7Very low108 Ų108150.5 Ų150.570%0.70183%0.827SS**  trans-112.8167.3-131.822.64.1000113.1
92K31.3Very low33.5Very low218 Ų218148.6 Ų148.695%0.94883%0.827SS**  trans-139.2132.3158.2-85.5-168.6177.9175.70112
93S30.1Very low33.4Very low115 Ų115153 Ų15380%0.80484%0.837SS**  trans-92161.7-177.345.10000112.3
94A30.4Very low33.1Very low87 Ų87146.8 Ų146.872%0.71984%0.835SS**  trans72.4116.1150.300000119.6
95R28.7Very low32.8Very low250 Ų250149.5 Ų149.594%0.94384%0.841SS**  -176.5147.496.2-100.3176.1176.1176-1.3112.8
96R30.9Very low32.6Very low248 Ų248145.5 Ų145.594%0.93684%0.837SS**  trans-61.8144.7167-73.2170.9164.9169.6-5.9111.1
97S29.5Very low32.1Very low121 Ų121149.6 Ų149.685%0.84684%0.84SS**  trans-161.3129.4138.836.90000110.2
98A28.6Very low31.2Very low104 Ų104152.1 Ų152.186%0.8684%0.84SS**  trans-73.1145.7172.900000110.6
99S29Very low31Very low115 Ų115153 Ų15380%0.80484%0.84SS**  trans-151.3117.8154.1550000108.8
100A29.9Very low30.6Very low110 Ų110153.5 Ų153.591%0.90984%0.842SS**  trans-62139.917200000110.9
101S30Very low29.6Very low114 Ų114159.4 Ų159.480%0.79785%0.85SS**  trans-140.1117.8159.560.30000109.2
102H27.6Very low28.6Very low195 Ų195163.6 Ų163.690%0.90386%0.86SS**  trans-44.1133.3170.1-90.3-88.5000113
103Q29.8Very low28.4Very low192 Ų192159.2 Ų159.290%0.89785%0.851SS**  trans-132.5119.3153.7-112.2173.7-3.900109.2
104A27Very low28.1Very low99 Ų99162.2 Ų162.282%0.81885%0.853SS**  trans-67.7134.4179.500000110.7
105N26Very low27.9Very low154 Ų154163.2 Ų163.282%0.82485%0.85SS**  trans-92.9106.2-177.3-143.2-19.4000108.1
106I29.1Very low27.7Very low155 Ų155160.8 Ų160.880%0.79585%0.846SS**  trans-89.5104.3168.4-65.6177.3000107.4E108I106-E108 PolarHBondContact O-N 2.94Å
107K28.6Very low27.6Very low197 Ų197156.5 Ų156.586%0.85784%0.841SS**  trans-76.5109.2165.2-91.9178.3171.6178.10108.7
108E27.6Very low27.4Very low184 Ų184157.1 Ų157.186%0.8684%0.84SS**  trans-84.6114.3161.7-102.1-177.5167.500109.7I106I106-E108 PolarHBondContact O-N 2.94Å
109A26.6Very low27.5Very low97 Ų97158 Ų15880%0.80284%0.836SS**  trans-76.7115.7169.700000109.6R111A109-R111 PolarHBondContact O-N 3.3Å
110R27.2Very low27.4Very low248 Ų248160.5 Ų160.594%0.93684%0.84SS**PPolyproline II helixtrans-79.9116.1167.2-85.6-177.6172176.3-1.7109.3
111R26.8Very low27.4Very low237 Ų237162.9 Ų162.989%0.89484%0.836SS**PPolyproline II helixtrans-75.1120.6165-77.3176.4172.3171.3-3.3109A109A109-R111 PolarHBondContact O-N 3.3Å
112E25.7Very low27.3Very low196 Ų196165.2 Ų165.292%0.91684%0.838SS**PPolyproline II helixtrans-77.6131.9162.9-70.1-179.2163.900108.7
113V27.7Very low27.2Very low125 Ų125164.7 Ų164.776%0.75883%0.833SS**  trans-115.8111.4172.61770000107.3V115V113-V115 HydrophobicContact CG1-CG2 4.32Å
114E23.2Very low27.2Very low178 Ų178161.6 Ų161.683%0.83283%0.83SS**  trans-80.8122.3174.9-157.6178.6-16400109.1
115V26.5Very low27.2Very low109 Ų109166.6 Ų166.666%0.66183%0.834SS**  trans-110.2110.5177-179.50000108.7V113V113-V115 HydrophobicContact CG1-CG2 4.32Å
116K23.4Very low27.3Very low199 Ų199162.8 Ų162.887%0.86583%0.831SS**  trans-74.4127.8167.9-81.7177.7175175.80109.3
117L29.5Very low27.2Very low157 Ų157162.6 Ų162.682%0.82283%0.832SS**  trans-111.3123.4172.2-73.3164.9000109.1
118T25.8Very low27.2Very low135 Ų135159 Ų15983%0.82883%0.831SS**PPolyproline II helixtrans-93.4135166.11.50000108.9
119P30.9Very low27.3Very low121 Ų121156.6 Ų156.679%0.78682%0.823SS**PPolyproline II helixtrans-81.6128.2177.930.5-29.9000111.1
120L25.9Very low27.4Very low168 Ų168157.4 Ų157.488%0.8882%0.823SS**PPolyproline II helixtrans-89.5123.2166.3-88.6160.4000109.4L122L120-L122 PolarHBondContact O-N 3.46Å
121I29.5Very low27.4Very low160 Ų160155.9 Ų155.982%0.82182%0.817SS**  trans-76.7113.2171.4-63.4169.7000107.9
122L29.3Very low27.3Very low163 Ų163155.7 Ų155.785%0.85382%0.818SS**PPolyproline II helixtrans-83.8124.8169.2-83.1158000109.6L120L120-L122 PolarHBondContact O-N 3.46Å
123K25.1Very low27.6Very low184 Ų184152.8 Ų152.880%0.881%0.809SS**PPolyproline II helixtrans-68.4145.5171.3-72.4-177.8177.7179.70110.4F125K123-F125 PolarHBondContact O-N 2.95Å
124P29.5Very low27.7Very low128 Ų128150.5 Ų150.583%0.83181%0.81SS**PPolyproline II helixtrans-75.3126.5-179.929.8-31.6000110.9
125F27.9Very low27.8Very low204 Ų204151.3 Ų151.390%0.89581%0.814SS**PPolyproline II helixtrans-78.8135.2165.1-100.5-91.4000109.6K123K123-F125 PolarHBondContact O-N 2.95Å
126G27.7Very low27.9Very low74 Ų74151.7 Ų151.776%0.76382%0.822SS**PPolyproline II helixtrans-65.1142.3-169.200000115
127N28Very low28Very low151 Ų151151.6 Ų151.681%0.80782%0.824SS**PPolyproline II helixtrans-66125171.1-71.1-26.7000111.3I129N127-I129 HydrophobicContact CB-CG1 4.44Å
128S28.6Very low27.8Very low121 Ų121152.7 Ų152.785%0.84683%0.825SS**  trans-97.9100.6153.943.70000108.7S130S128-S130 PolarHBondContact O-N 3.24Å
129I29.1Very low27.9Very low133 Ų133152.9 Ų152.968%0.68283%0.826SS**  trans-79.4111.1170.3-65.3169.6000107.1N127 R131N127-I129 HydrophobicContact CB-CG1 4.44Å; I129-R131 HydrophobicContact CG2-CG 3.93Å
130S28.3Very low27.7Very low115 Ų115155 Ų15580%0.80483%0.826SS**  trans-91.5108.1156.867.60000108.4S128S128-S130 PolarHBondContact O-N 3.24Å
131R27.6Very low27.8Very low215 Ų215157 Ų15781%0.81182%0.821SS**  trans-76.5121.2164.8-75.3179.2-179.8171.4-1107.3I129I129-R131 HydrophobicContact CG2-CG 3.93Å
132Y24.9Very low27.5Very low233 Ų233155.5 Ų155.591%0.91482%0.815SS**  trans-91.1104.2161.8-136.6-92.4000106.5
133N31.2Very low27.4Very low135 Ų135154.2 Ų154.272%0.72281%0.809SS**PPolyproline II helixtrans-92.7129.3168-89.40.4000107.7
134G29.8Very low27.6Very low77 Ų77151.4 Ų151.479%0.79481%0.807SS**PPolyproline II helixtrans-67.2135.8162.400000109.7
135E26.6Very low28.1Very low195 Ų195150.1 Ų150.191%0.91180%0.799SS**PPolyproline II helixtrans-70.3148.6174.3-71.7174.7147.700111.9
136S26.6Very low28Very low118 Ų118148.7 Ų148.783%0.82580%0.795SS**  trans-142.3110.9141.458.30000108.4
137E26.9Very low27.9Very low196 Ų196154.7 Ų154.792%0.91680%0.799SS**  trans29.9136.3155.7-67.4-177.6155.700123.2
138H25.9Very low27.7Very low181 Ų181154.3 Ų154.384%0.83880%0.797SS**  trans-62.1149178.7-78.2-86.8000115.8
139T27.2Very low27.6Very low139 Ų139155.6 Ų155.685%0.85380%0.8SS**  trans-141.3147.7136-55.90000109
140E26.8Very low27.4Very low165 Ų165156.9 Ų156.977%0.77180%0.803SS**  trans-73.3165.9-151.9-60.1171.8134.400118.2
141R26.8Very low27.3Very low210 Ų210161 Ų16179%0.79281%0.81SS**  106.6101.3127.3-116179.4169.8172-2.4119.4
142N24.8Very low27.1Very low128 Ų128158.2 Ų158.268%0.68480%0.804SS**  55.9128.4120.8-6710.3000123.3
143D27.1Very low26.9Very low136 Ų136155.4 Ų155.473%0.72780%0.797SS**  trans103.795.7133.9-61-21.1000121.7
144V28.8Very low26.5Very low126 Ų126155.5 Ų155.576%0.76480%0.797SS**  39166.8121.7-123.90000122.3
145P39.7Very low26.3Very low100 Ų100159.1 Ų159.165%0.64980%0.798SS**  -131.6-167.3-97.746-27.9000115.6
146H25.8Very low26.1Very low175 Ų175155.2 Ų155.281%0.8179%0.792SS**  trans80.3124.2158.4-83.8-31.8000119
147K24.8Very low26.2Very low199 Ų199156.2 Ų156.287%0.86578%0.783SS**  174.9156.383.6-123170.7-175.71770112.3
148N25.3Very low26.1Very low143 Ų143154.1 Ų154.177%0.76577%0.773SS**  trans-51.4161.4178.9-59.9-28.3000116.5
149T25.5Very low26.1Very low148 Ų148150 Ų15091%0.90877%0.765SS**  -155.9135.7122.7-60.80000110.4
150Q25.9Very low25.9Very low160 Ų160148.7 Ų148.775%0.74876%0.762SS**  trans-77.2156.4175.9-70167.1-49.300111.6
151E25.2Very low25.9Very low201 Ų201151.5 Ų151.594%0.93977%0.767SS**  trans-149.8133.8133.4-117.3173.1-166.400111.9
152K23.3Very low25.9Very low158 Ų158149.4 Ų149.469%0.68777%0.769SS**  trans-83.8154-178.7-74.1169169.5175.60110.1
153F21.7Very low25.8Very low173 Ų173148.1 Ų148.176%0.75977%0.771SS**  164.7154.492.7-100-95.8000105.7
154N21.8Very low25.6Very low138 Ų138147.2 Ų147.274%0.73877%0.77SS**  cis-160.9154.7-16.6-124.37.8000108.1
155L25.4Very low25.4Very low153 Ų153149.9 Ų149.980%0.80177%0.774SS**  trans-78.2159.1176.7-125.785.7000113.1
156S22.7Very low24.6Very low112 Ų112156.2 Ų156.278%0.78379%0.787SS**  trans-133.3103.5133.846.80000106.5
157Q28.1Very low24.5Very low139 Ų139153.5 Ų153.565%0.6579%0.787SS**  58.5131.191.7-92.3-173.4-45.300111.9
158E25.8Very low24.3Very low152 Ų152152.2 Ų152.271%0.7179%0.789SS**  cis-177.2167.110.2-131162-164.100104.5
159S25.3Very low24.3Very low95 Ų95156.8 Ų156.866%0.66480%0.796SS**  cis-173.2122.127.236.40000104.3
160S24.1Very low24.4Very low111 Ų111155.8 Ų155.878%0.77679%0.792SS**  87.1125.574.576.10000114.7
161Y26.2Very low24.3Very low225 Ų225158.2 Ų158.288%0.88279%0.794SS**  trans-66.9155.2169.3-78.2-103.8000112
162I25.4Very low24.3Very low165 Ų165158.1 Ų158.185%0.84679%0.785SS**  trans-135.2131.9145.5-66.4-174.7000110.6
163S23.2Very low24.4Very low102 Ų102158.3 Ų158.371%0.71379%0.789SS**  trans-86.6150.2169.81600000111
164T23.9Very low24.7Very low117 Ų117158.5 Ų158.572%0.71879%0.792SS**  trans169.1146.5147.6290000106
165Q24.7Very low24.9Very low181 Ų181157.4 Ų157.485%0.84679%0.79SS**  cis-169.315215.4-131163.3-10.700106.6
166Y22Very low24.9Very low233 Ų233159.6 Ų159.691%0.91479%0.793SS**  trans-77.9142.7166.7-94.7-94.3000111
167S23.1Very low25.1Very low118 Ų118162.4 Ų162.483%0.82580%0.798SS**  trans-150.1140.7154.264.60000111.9
168L22.7Very low25Very low173 Ų173165.3 Ų165.391%0.90681%0.809SS**  trans-84.6151.7-177.4-70.9157.3000111.5
169R24.6Very low25.1Very low239 Ų239166.9 Ų166.990%0.90282%0.816SS**  trans-59.3158.7179.2-92.9-175.6179.6-176.61.2115.3
170P28.1Very low25.5Very low126 Ų126169.8 Ų169.882%0.81882%0.823SS**  -150.7145.793.534.4-13.7000119.5
171R22.6Very low25.9Very low212 Ų212170.6 Ų170.680%0.882%0.818SS**  trans46.5126.7141-145.9-176.1-172.9170.4-0.1124.7
172R26Very low26.2Very low198 Ų198164.6 Ų164.675%0.74781%0.809SS**  trans54.9147.9153.2-90.9-178.8171.1179.9-4.8117.3
173E25.4Very low26.6Very low163 Ų163165.5 Ų165.576%0.76281%0.807SS**  cis-159.2-170.633.3-134155.7-13900111.2
174E26.8Very low27.2Very low176 Ų176167.3 Ų167.382%0.82280%0.804SS**  trans-96.5161.6-152.3-99.2170.2-163.400118
175V26.8Very low27.8Very low116 Ų116168.9 Ų168.970%0.70380%0.803SS**  trans85.1103.4138.5168.20000121.1
176K25.5Very low28.2Very low198 Ų198168.7 Ų168.786%0.86180%0.8SS**  163118113-91.7-177.8-172.6172.80112
177L26.6Very low28.6Very low171 Ų171165.9 Ų165.990%0.89579%0.792SS**  trans-140.1119.2152.9-147.598.4000107.9
178K25.5Very low29.4Very low201 Ų201165.5 Ų165.587%0.87478%0.78SS**  trans-136146.4164.4-95.8-173.1175-176.80106.4
179E29.2Very low29.9Very low184 Ų184160.7 Ų160.786%0.8677%0.765SS**  trans9757.2174.5-57-17316500117.9
180I32.7Very low30.1Very low157 Ų157157.8 Ų157.881%0.80576%0.759SS**  trans-147.173.5139.2-49.2178000107.6
181D32.9Very low30.2Very low127 Ų127159.5 Ų159.568%0.67976%0.756SS**  trans-147.981.2170.8-148.40.7000110
182S33.7Very low30.6Very low100 Ų100156.5 Ų156.570%0.69976%0.756SS**SBendtrans-163.2-0.3169.854.80000113.4
183K33.3Very low30.9Very low183 Ų183151.1 Ų151.180%0.79675%0.753SS**SBendtrans-110.8-13.9177.8-82.6-178.4175.2176.80114.7
184E36.1Very low31.2Very low141 Ų141149 Ų14966%0.65975%0.751SS**SBendtrans-84.9-27.1177.8-85.6179.815200113.8K186 F187 I188E184-K186 VanDerWaalsContact C-N 3.29Å; E184-K186 PolarHBondContact O-N 3.39Å; E184-F187 PolarHBondContact O-N 3.41Å; E184-I188 WeakPolarHBondContact O-CG1 3.49Å
185E36.8Very low31.2Very low149 Ų149150.2 Ų150.270%0.69675%0.748SS**Hα-helixtrans-69.4-21.3-178.3-72-171.5144.800114.5
186K33Very low31.2Very low178 Ų178150.1 Ų150.177%0.77475%0.748SS**Hα-helixtrans-87.2-19.2179.8-80.5-178.1177.7176.10114.6E184E184-K186 VanDerWaalsContact C-N 3.29Å; E184-K186 PolarHBondContact O-N 3.39Å
187F30.4Very low31.5Very low173 Ų173150.5 Ų150.576%0.75975%0.75SS**Hα-helixtrans-83-33.8174-98.7-90.8000111.7E184 A189 K190E184-F187 PolarHBondContact O-N 3.41Å; F187-A189 PolarHBondContact O-N 2.86Å; F187-K190 PolarHBondContact O-N 2.85Å
188I38Very low31.4Very low110 Ų110149.6 Ų149.656%0.56474%0.741SS**Hα-helixtrans-70.1-34-179.8-61.5170.8000111.9E184 K190 L192E184-I188 WeakPolarHBondContact O-CG1 3.49Å; I188-K190 VanDerWaalsContact C-N 3.33Å; I188-K190 PolarHBondContact O-N 3.33Å; I188-L192 PolarHBondContact O-N 3.41Å
189A35.1Very low31.6Very low72 Ų72145.6 Ų145.660%0.59573%0.733SS**Hα-helixtrans-71.8-22.7-179.600000114.2F187F187-A189 PolarHBondContact O-N 2.86Å
190K28.7Very low31.4Very low179 Ų179142.1 Ų142.178%0.77873%0.725SS**Hα-helixtrans-91.6-20.5-177.9-155.6172.7-178-179.30113F187 I188F187-K190 PolarHBondContact O-N 2.85Å; I188-K190 VanDerWaalsContact C-N 3.33Å; I188-K190 PolarHBondContact O-N 3.33Å
191E29.2Very low31.2Very low162 Ų162140.3 Ų140.376%0.75772%0.724SS**Hα-helixtrans-86.2-17.2175.3-143.9170.5-17500112.6
192L31.6Very low31.2Very low149 Ų149140 Ų14078%0.7872%0.721SS**THydrogen-bonded Turntrans-81.3-8.6179.6-138.384000114.7I188I188-L192 PolarHBondContact O-N 3.41Å
193A32Very low31.2Very low85 Ų85146 Ų14670%0.70273%0.728SS**THydrogen-bonded Turntrans-104.80.5-172.700000115.2
194V30.8Very low31.6Very low117 Ų117141.8 Ų141.871%0.70973%0.727SS**  trans-124.225.9-177.7-1710000113.1T196V194-T196 PolarHBondContact O-N 3.47Å
195R27.2Very low32.6Very low202 Ų202139.7 Ų139.776%0.76272%0.716SS**  trans-9781.5162.3-75.5-166-171-169.25.5111.1
196T27.2Very low33.8Very low115 Ų115138.2 Ų138.271%0.70671%0.713SS**  trans-37.8131.1155.5-29.20000110.8V194 E198V194-T196 PolarHBondContact O-N 3.47Å; T196-E198 PolarHBondContact O-N 3.32Å
197F32.7Very low36Very low205 Ų205133.2 Ų133.290%0.89969%0.694SS**  trans-5.483.3165-85.8-99.3000115.7V199F197-V199 PolarHBondContact O-N 3.48Å
198E24.6Very low38.4Very low152 Ų152126.9 Ų126.971%0.7167%0.667SS**  trans-79.897.6161.1-83.2-176.2154.800107.3T196 T200T196-E198 PolarHBondContact O-N 3.32Å; E198-T200 PolarHBondContact O-N 2.95Å; E198-T200 VanDerWaalsContact O-N 3.15Å
199V28.9Very low40.5Very low117 Ų117123.3 Ų123.371%0.70965%0.648SS**  trans-49.3118.3157.2175.90000106.5F197F197-V199 PolarHBondContact O-N 3.48Å
200T24.7Very low42.7Very low111 Ų111123.1 Ų123.168%0.68165%0.653SS**  trans-47.2126.3170.323.10000108.3E198 I202E198-T200 PolarHBondContact O-N 2.95Å; E198-T200 VanDerWaalsContact O-N 3.15Å; T200-I202 PolarHBondContact O-N 3.3Å
201P27.8Very low45.4Very low120 Ų120115 Ų11578%0.77962%0.62SS**  trans-63113.2178.725.3-30.5000106.3R203P201-R203 PolarHBondContact O-N 3.01Å
202I33.7Very low48.2Very low121 Ų121109.4 Ų109.462%0.62160%0.596SS**  trans-44.8114.3165.8-64.3167000104.5T200 A204T200-I202 PolarHBondContact O-N 3.3Å; I202-A204 PolarHBondContact O-N 3.43Å
203R34.6Very low50.9Low224 Ų224107.2 Ų107.285%0.84559%0.591SS**  trans-41115.1171.3-97.8179.8173167.6-1.3105.7P201 K205P201-R203 PolarHBondContact O-N 3.01Å; R203-K205 PolarHBondContact O-N 3.41Å
204A40Very low53.6Low95 Ų95104.1 Ų104.179%0.78557%0.568SS**  trans-55.897.6175.900000105.9I202 D206I202-A204 PolarHBondContact O-N 3.43Å; A204-D206 PolarHBondContact O-N 3.47Å
205K57Low56.5Low97 Ų9798.6 Ų98.642%0.42253%0.534SS..  trans-62.5128.1168.4-81.2-179.4-178.3176.80103.8R203 L207 P358 S360R203-K205 PolarHBondContact O-N 3.41Å; K205-L207 PolarHBondContact O-N 2.87Å; K205-P358 WeakPolarHBondContact CE-O 3.46Å; K205-P358 PolarHBondContact NZ-O 3.47Å; K205-S360 VanDerWaalsContact CD-O 3.28Å; K205-S360 WeakPolarHBondContact CD-O 3.17Å; K205-S360 WeakPolarHBondContact CE-O 3.36Å; K205-S360 PolarHBondContact NZ-O 3.2Å
206D63.7Low59.5Low119 Ų11994.4 Ų94.464%0.63652%0.521SS*.  trans-48.6107.6171.3-60.7-35.7000106.9A204 E208 Y589A204-D206 PolarHBondContact O-N 3.47Å; D206-E208 PolarHBondContact O-N 3.14Å; D206-Y589 PolarHBondContact OD2-OH 2.82Å
207L78.2Confident62.5Low72 Ų7294.8 Ų94.838%0.37752%0.519SS..  trans-73.9121-177-63.4173.5000107.2K205 V212 Y366K205-L207 PolarHBondContact O-N 2.87Å; L207-V212 HydrophobicContact CD1-CG2 4.32Å; L207-Y366 HydrophobicContact CB-CE2 4.1Å; L207-Y366 HydrophobicContact CD2-CD1 4.29Å; L207-Y366 HydrophobicContact CD2-CD2 4.05Å; L207-Y366 HydrophobicContact CD2-CE1 4.28Å; L207-Y366 HydrophobicContact CD2-CE2 4.05Å; L207-Y366 HydrophobicContact CD2-CG 4.17Å
208E80.3Confident65.3Low41 Ų4187 Ų8719%0.19249%0.486CS..SBendtrans-74.7171.9177.1-60179.9141.700110.1D206 G210 G211 Y366 R586D206-E208 PolarHBondContact O-N 3.14Å; E208-G210 VanDerWaalsContact C-N 3.29Å; E208-G210 PolarHBondContact O-N 3.42Å; E208-G211 PolarHBondContact O-N 2.89Å; E208-G211 VanDerWaalsContact O-N 3.16Å; E208-Y366 PolarHBondContact N-OH 3.45Å; E208-Y366 VanDerWaalsContact N-OH 3.11Å; E208-R586 VanDerWaalsContact CD-NE 3.33Å; E208-R586 IonicContact OE1-CZ 3.22Å; E208-R586 IonicContact OE1-NE 3.14Å; E208-R586 PolarHBondContact OE1-NE 2.82Å; E208-R586 IonicContact OE1-NH2 2.83Å; E208-R586 PolarHBondContact OE1-NH2 3.14Å; E208-R586 IonicContact OE2-CZ 3.2Å; E208-R586 VanDerWaalsContact OE2-CZ 3.3Å; E208-R586 IonicContact OE2-NE 3.22Å; E208-R586 PolarHBondContact OE2-NE 3.39Å; E208-R586 IonicContact OE2-NH2 2.61Å; E208-R586 PolarHBondContact OE2-NH2 2.89Å
209F82.5Confident68.6Low35 Ų3581 Ų8115%0.15446%0.458CS..THydrogen-bonded Turntrans59.532.3175.8-53.8-84.4000115.1G211 G214 V215 I218 F369 I370 M455 H582F209-G211 VanDerWaalsContact C-N 3.26Å; F209-G211 PolarHBondContact O-N 3.38Å; F209-G214 CarbonylContact O-C 3.57Å; F209-G214 WeakPolarHBondContact O-CA 3.41Å; F209-V215 HydrophobicContact CB-CG2 4.02Å; F209-I218 HydrophobicContact CB-CD1 4.11Å; F209-I218 HydrophobicContact CD1-CD1 4.31Å; F209-F369 HydrophobicContact CB-CE1 4.46Å; F209-F369 HydrophobicContact CD1-CE1 4.46Å; F209-F369 HydrophobicContact CD2-CE1 4.17Å; F209-F369 HydrophobicContact CG-CE1 4.1Å; F209-I370 HydrophobicContact CD2-CD1 3.85Å; F209-I370 HydrophobicContact CE2-CD1 3.6Å; F209-M455 HydrophobicContact CE1-CE 3.69Å; F209-M455 HydrophobicContact CE1-SD 3.94Å; F209-M455 HydrophobicContact CE2-CE 4.45Å; F209-M455 HydrophobicContact CE2-SD 3.97Å; F209-M455 HydrophobicContact CZ-CE 3.48Å; F209-M455 VanDerWaalsContact CZ-CE 3.48Å; F209-M455 HydrophobicContact CZ-SD 3.53Å; F209-M455 VanDerWaalsContact CZ-SD 3.53Å; F209-H582 AromaticContact CE1-CE1 3.53Å; F209-H582 AromaticContact CZ-CE1 3.86Å
210G80.7Confident71.6Confident68 Ų6881.1 Ų81.170%0.70145%0.449SS*.THydrogen-bonded Turntrans72.320.1179.300000113.7E208E208-G210 VanDerWaalsContact C-N 3.29Å; E208-G210 PolarHBondContact O-N 3.42Å
211G86.9Confident74.8Confident9 Ų977.3 Ų77.39%0.09343%0.432CS..Hα-helixtrans70.5-159179.700000113.5E208 F209 G214 V215E208-G211 PolarHBondContact O-N 2.89Å; E208-G211 VanDerWaalsContact O-N 3.16Å; F209-G211 VanDerWaalsContact C-N 3.26Å; F209-G211 PolarHBondContact O-N 3.38Å; G211-G214 PolarHBondContact O-N 3.21Å; G211-V215 WeakPolarHBondContact O-CB 3.38Å; G211-V215 WeakPolarHBondContact O-CG2 3.28Å; G211-V215 PolarHBondContact O-N 3.23Å
212V87.4Confident77.9Confident43 Ų4374.2 Ų74.226%0.26141%0.409SS..Hα-helixtrans-60.1-44.2-175.3-174.20000113L207 V215 F216 N363 V365L207-V212 HydrophobicContact CD1-CG2 4.32Å; V212-V215 PolarHBondContact O-N 2.97Å; V212-F216 WeakPolarHBondContact O-CB 3.37Å; V212-F216 PolarHBondContact O-N 3.28Å; V212-N363 VanDerWaalsContact CG2-ND2 3.31Å; V212-N363 WeakPolarHBondContact CG2-ND2 3.41Å; V212-V365 HydrophobicContact CG1-CB 4.15Å; V212-V365 HydrophobicContact CG1-CG1 4.15Å
213P88.8Confident80.7Confident104 Ų10469.2 Ų69.268%0.67538%0.384SS*.Hα-helixtrans-65.3-41.2179-20.533.9000112.5F216 L217P213-F216 PolarHBondContact O-N 3.5Å; P213-L217 WeakPolarHBondContact O-CB 3.48Å; P213-L217 PolarHBondContact O-N 2.94Å
214G88.6Confident83.5Confident20 Ų2062.8 Ų62.821%0.20637%0.37CS..Hα-helixtrans-64.8-45177.500000111.9F209 G211 F216 L217 I218F209-G214 CarbonylContact O-C 3.57Å; F209-G214 WeakPolarHBondContact O-CA 3.41Å; G211-G214 PolarHBondContact O-N 3.21Å; G214-F216 VanDerWaalsContact C-N 3.34Å; G214-F216 PolarHBondContact O-N 3.31Å; G214-L217 PolarHBondContact O-N 3.03Å; G214-I218 VanDerWaalsContact O-CG1 3.23Å; G214-I218 WeakPolarHBondContact O-CG1 3.42Å; G214-I218 PolarHBondContact O-N 3.17Å
215V91Very high86Confident0 Ų062 Ų620%035%0.349CS..Hα-helixtrans-57.5-45173.7162.10000112.2F209 G211 V212 I218 M219 V365 Y366 F369F209-V215 HydrophobicContact CB-CG2 4.02Å; G211-V215 WeakPolarHBondContact O-CB 3.38Å; G211-V215 WeakPolarHBondContact O-CG2 3.28Å; G211-V215 PolarHBondContact O-N 3.23Å; V212-V215 PolarHBondContact O-N 2.97Å; V215-I218 PolarHBondContact O-N 3.19Å; V215-M219 HydrophobicContact CG1-CE 4.1Å; V215-M219 WeakPolarHBondContact O-CB 3.3Å; V215-M219 PolarHBondContact O-N 3.2Å; V215-V365 HydrophobicContact CG1-CG1 4.45Å; V215-Y366 HydrophobicContact CG2-CD2 3.77Å; V215-Y366 HydrophobicContact CG2-CE2 4Å; V215-F369 HydrophobicContact CB-CB 4.48Å; V215-F369 HydrophobicContact CB-CD1 4.24Å; V215-F369 HydrophobicContact CB-CG 4.3Å; V215-F369 HydrophobicContact CG1-CB 3.23Å; V215-F369 HydrophobicContact CG1-CD1 3.76Å; V215-F369 HydrophobicContact CG1-CD2 3.93Å; V215-F369 HydrophobicContact CG1-CG 3.38Å; V215-F369 HydrophobicContact CG2-CD1 3.61Å; V215-F369 HydrophobicContact CG2-CE1 4.01Å; V215-F369 HydrophobicContact CG2-CG 4.16Å
216F89.6Confident87.7Confident114 Ų11457.3 Ų57.350%0.533%0.328SS..Hα-helixtrans-62.3-45.9177.5-169.4-90.8000111.1V212 P213 G214 I218 M219 F220V212-F216 WeakPolarHBondContact O-CB 3.37Å; V212-F216 PolarHBondContact O-N 3.28Å; P213-F216 PolarHBondContact O-N 3.5Å; G214-F216 VanDerWaalsContact C-N 3.34Å; G214-F216 PolarHBondContact O-N 3.31Å; F216-I218 VanDerWaalsContact C-N 3.32Å; F216-I218 PolarHBondContact O-N 3.03Å; F216-M219 PolarHBondContact O-N 2.94Å; F216-F220 AromaticContact CD1-CD2 3.98Å; F216-F220 HydrophobicContact CD1-CD2 3.98Å; F216-F220 HydrophobicContact CD1-CE2 4.24Å; F216-F220 HydrophobicContact CD2-CD2 4.28Å; F216-F220 AromaticContact CD2-CE2 3.8Å; F216-F220 HydrophobicContact CD2-CE2 3.8Å; F216-F220 AromaticContact CE1-CD2 3.73Å; F216-F220 HydrophobicContact CE1-CD2 3.73Å; F216-F220 AromaticContact CE1-CE2 3.82Å; F216-F220 HydrophobicContact CE1-CE2 3.82Å; F216-F220 HydrophobicContact CE2-CD2 4.08Å; F216-F220 AromaticContact CE2-CE2 3.35Å; F216-F220 HydrophobicContact CE2-CE2 3.35Å; F216-F220 HydrophobicContact CE2-CZ 4.21Å; F216-F220 HydrophobicContact CG-CD2 4.25Å; F216-F220 HydrophobicContact CG-CE2 4.23Å; F216-F220 AromaticContact CZ-CD2 3.79Å; F216-F220 HydrophobicContact CZ-CD2 3.79Å; F216-F220 AromaticContact CZ-CE2 3.35Å; F216-F220 HydrophobicContact CZ-CE2 3.35Å; F216-F220 HydrophobicContact CZ-CZ 4.15Å; F216-F220 WeakPolarHBondContact O-CD2 3.38Å; F216-F220 PolarHBondContact O-N 3.26Å
217L91.9Very high89Confident124 Ų12453.2 Ų53.265%0.64931%0.305SS*.Hα-helixtrans-60.6-41177.1-176.5145.6000112.1P213 G214 G221P213-L217 WeakPolarHBondContact O-CB 3.48Å; P213-L217 PolarHBondContact O-N 2.94Å; G214-L217 PolarHBondContact O-N 3.03Å; L217-G221 WeakPolarHBondContact O-CA 3.3Å; L217-G221 PolarHBondContact O-N 3.43Å
218I91.6Very high89.6Confident42 Ų4251.6 Ų51.622%0.21530%0.296CS..Hα-helixtrans-67.1-41.9178.3-68.2166.5000110.8F209 G214 V215 F216 F220 L222 F369F209-I218 HydrophobicContact CB-CD1 4.11Å; F209-I218 HydrophobicContact CD1-CD1 4.31Å; G214-I218 VanDerWaalsContact O-CG1 3.23Å; G214-I218 WeakPolarHBondContact O-CG1 3.42Å; G214-I218 PolarHBondContact O-N 3.17Å; V215-I218 PolarHBondContact O-N 3.19Å; F216-I218 VanDerWaalsContact C-N 3.32Å; F216-I218 PolarHBondContact O-N 3.03Å; I218-F220 PolarHBondContact O-N 2.95Å; I218-L222 HydrophobicContact CG2-CD1 3.37Å; I218-L222 HydrophobicContact CG2-CG 3.77Å; I218-L222 WeakPolarHBondContact O-CB 3.33Å; I218-L222 WeakPolarHBondContact O-CG 3.29Å; I218-L222 PolarHBondContact O-N 2.86Å; I218-F369 HydrophobicContact CB-CE2 4.31Å; I218-F369 HydrophobicContact CB-CZ 4.37Å; I218-F369 HydrophobicContact CG2-CE2 3.72Å; I218-F369 HydrophobicContact CG2-CZ 3.74Å
219M92.3Very high90.1Very high24 Ų2450 Ų5012%0.11829%0.289CS..Hα-helixtrans-61.3-41.2-176.8-167.6-175.2-42.900113V215 F216 P223 V365 F368 F369 F454V215-M219 HydrophobicContact CG1-CE 4.1Å; V215-M219 WeakPolarHBondContact O-CB 3.3Å; V215-M219 PolarHBondContact O-N 3.2Å; F216-M219 PolarHBondContact O-N 2.94Å; M219-P223 WeakPolarHBondContact O-CD 3.48Å; M219-P223 WeakPolarHBondContact O-CG 3.48Å; M219-V365 HydrophobicContact CE-CG1 4.26Å; M219-F368 HydrophobicContact CE-CD1 3.9Å; M219-F368 HydrophobicContact CE-CE1 4.36Å; M219-F368 HydrophobicContact SD-CD1 3.86Å; M219-F368 HydrophobicContact SD-CE1 3.72Å; M219-F369 HydrophobicContact CE-CB 4.25Å; M219-F454 HydrophobicContact CB-CD1 4.48Å; M219-F454 HydrophobicContact CB-CE1 4.31Å; M219-F454 HydrophobicContact CG-CD1 3.8Å; M219-F454 HydrophobicContact CG-CE1 3.75Å; M219-F454 HydrophobicContact CG-CG 4.3Å; M219-F454 HydrophobicContact CG-CZ 4.21Å
220F92.1Very high90.5Very high120 Ų12048.3 Ų48.353%0.52628%0.282SS..Hα-helixtrans-91.7-34177.1-67-79.7000112.7F216 I218 V224F216-F220 AromaticContact CD1-CD2 3.98Å; F216-F220 HydrophobicContact CD1-CD2 3.98Å; F216-F220 HydrophobicContact CD1-CE2 4.24Å; F216-F220 HydrophobicContact CD2-CD2 4.28Å; F216-F220 AromaticContact CD2-CE2 3.8Å; F216-F220 HydrophobicContact CD2-CE2 3.8Å; F216-F220 AromaticContact CE1-CD2 3.73Å; F216-F220 HydrophobicContact CE1-CD2 3.73Å; F216-F220 AromaticContact CE1-CE2 3.82Å; F216-F220 HydrophobicContact CE1-CE2 3.82Å; F216-F220 HydrophobicContact CE2-CD2 4.08Å; F216-F220 AromaticContact CE2-CE2 3.35Å; F216-F220 HydrophobicContact CE2-CE2 3.35Å; F216-F220 HydrophobicContact CE2-CZ 4.21Å; F216-F220 HydrophobicContact CG-CD2 4.25Å; F216-F220 HydrophobicContact CG-CE2 4.23Å; F216-F220 AromaticContact CZ-CD2 3.79Å; F216-F220 HydrophobicContact CZ-CD2 3.79Å; F216-F220 AromaticContact CZ-CE2 3.35Å; F216-F220 HydrophobicContact CZ-CE2 3.35Å; F216-F220 HydrophobicContact CZ-CZ 4.15Å; F216-F220 WeakPolarHBondContact O-CD2 3.38Å; F216-F220 PolarHBondContact O-N 3.26Å; I218-F220 PolarHBondContact O-N 2.95Å; F220-V224 VanDerWaalsContact O-CG2 3.31Å; F220-V224 WeakPolarHBondContact O-CG2 3.49Å; F220-V224 PolarHBondContact O-N 3.36Å
221G92.8Very high90.9Very high31 Ų3146 Ų4632%0.3225%0.253SS..Hα-helixtrans-70.8-41.8-176.500000113.3L217 V224 F225L217-G221 WeakPolarHBondContact O-CA 3.3Å; L217-G221 PolarHBondContact O-N 3.43Å; G221-V224 PolarHBondContact O-N 2.82Å; G221-F225 WeakPolarHBondContact O-CB 3.5Å; G221-F225 PolarHBondContact O-N 2.9Å
222L92.4Very high91Very high55 Ų5546 Ų4629%0.28825%0.251SS..Hα-helixtrans-63.6-46.7-178.3-73.2179.6000113.4I218 F225 L226 F458 W463I218-L222 HydrophobicContact CG2-CD1 3.37Å; I218-L222 HydrophobicContact CG2-CG 3.77Å; I218-L222 WeakPolarHBondContact O-CB 3.33Å; I218-L222 WeakPolarHBondContact O-CG 3.29Å; I218-L222 PolarHBondContact O-N 2.86Å; L222-F225 PolarHBondContact O-N 3.36Å; L222-L226 WeakPolarHBondContact O-CB 3.48Å; L222-L226 PolarHBondContact O-N 3.29Å; L222-F458 HydrophobicContact CB-CE1 3.8Å; L222-F458 HydrophobicContact CB-CZ 4.38Å; L222-F458 HydrophobicContact CD1-CD1 4.48Å; L222-F458 HydrophobicContact CD1-CE1 4.39Å; L222-W463 HydrophobicContact CB-CZ3 4.21Å; L222-W463 HydrophobicContact CD2-CH2 3.74Å; L222-W463 HydrophobicContact CD2-CZ3 3.75Å; L222-W463 HydrophobicContact CG-CZ3 4.49Å
223P93.6Very high91Very high17 Ų1744 Ų4411%0.1124%0.239CC..Hα-helixtrans-58.6-47.7174.2-24.633.5000112.4M219 F225 L226 F227 T334 F454 F458M219-P223 WeakPolarHBondContact O-CD 3.48Å; M219-P223 WeakPolarHBondContact O-CG 3.48Å; P223-F225 VanDerWaalsContact C-N 3.31Å; P223-F225 PolarHBondContact O-N 3.12Å; P223-L226 WeakPolarHBondContact O-CB 3.38Å; P223-L226 PolarHBondContact O-N 3.49Å; P223-F227 WeakPolarHBondContact O-CD2 3.46Å; P223-F227 PolarHBondContact O-N 3.46Å; P223-F227 VanDerWaalsContact O-N 3.13Å; P223-T334 HydrophobicContact CB-CG2 4.21Å; P223-T334 HydrophobicContact CG-CG2 4.47Å; P223-F454 HydrophobicContact CG-CZ 4.32Å; P223-F458 HydrophobicContact CB-CE2 4.22Å; P223-F458 HydrophobicContact CB-CZ 4.25Å; P223-F458 HydrophobicContact CG-CE2 3.8Å; P223-F458 HydrophobicContact CG-CZ 3.88Å
224V92.3Very high90.8Very high88 Ų8844.7 Ų44.753%0.53323%0.231SC..Hα-helixtrans-59.7-45.7179172.50000110.6F220 G221 L226 F227 L228F220-V224 VanDerWaalsContact O-CG2 3.31Å; F220-V224 WeakPolarHBondContact O-CG2 3.49Å; F220-V224 PolarHBondContact O-N 3.36Å; G221-V224 PolarHBondContact O-N 2.82Å; V224-L226 PolarHBondContact O-N 3.27Å; V224-F227 PolarHBondContact O-N 3.5Å; V224-L228 HydrophobicContact CG1-CD1 3.9Å; V224-L228 HydrophobicContact CG1-CG 4.32Å; V224-L228 VanDerWaalsContact O-CG 3.32Å; V224-L228 WeakPolarHBondContact O-CG 3.35Å; V224-L228 PolarHBondContact O-N 2.84Å
225F92Very high90.5Very high78 Ų7845.6 Ų45.634%0.34223%0.23SC..Hα-helixtrans-63.9-40-179.9-179.2-96.7000112.7G221 L222 P223 L228 L229 W463 F571G221-F225 WeakPolarHBondContact O-CB 3.5Å; G221-F225 PolarHBondContact O-N 2.9Å; L222-F225 PolarHBondContact O-N 3.36Å; P223-F225 VanDerWaalsContact C-N 3.31Å; P223-F225 PolarHBondContact O-N 3.12Å; F225-L228 PolarHBondContact O-N 3.49Å; F225-L229 HydrophobicContact CD1-CD1 3.92Å; F225-L229 HydrophobicContact CD1-CG 4.31Å; F225-L229 HydrophobicContact CE1-CD1 3.23Å; F225-L229 HydrophobicContact CE1-CD2 4.46Å; F225-L229 HydrophobicContact CE1-CG 3.8Å; F225-L229 HydrophobicContact CE2-CG 4.36Å; F225-L229 HydrophobicContact CZ-CD1 3.63Å; F225-L229 HydrophobicContact CZ-CD2 4.03Å; F225-L229 HydrophobicContact CZ-CG 3.83Å; F225-L229 WeakPolarHBondContact O-CG 3.3Å; F225-L229 PolarHBondContact O-N 3.43Å; F225-W463 AromaticContact CD1-CH2 3.91Å; F225-W463 HydrophobicContact CD1-CH2 3.91Å; F225-W463 HydrophobicContact CD1-CZ3 4.47Å; F225-W463 HydrophobicContact CE1-CH2 4.23Å; F225-F571 HydrophobicContact CD1-CZ 4.44Å; F225-F571 HydrophobicContact CE1-CD2 4.48Å; F225-F571 AromaticContact CE1-CE1 3.88Å; F225-F571 HydrophobicContact CE1-CE1 3.88Å; F225-F571 AromaticContact CE1-CE2 3.6Å; F225-F571 HydrophobicContact CE1-CE2 3.6Å; F225-F571 AromaticContact CE1-CZ 3.26Å; F225-F571 HydrophobicContact CE1-CZ 3.26Å; F225-F571 HydrophobicContact CZ-CD2 4.11Å; F225-F571 HydrophobicContact CZ-CE1 4.43Å; F225-F571 AromaticContact CZ-CE2 3.45Å; F225-F571 HydrophobicContact CZ-CE2 3.45Å; F225-F571 VanDerWaalsContact CZ-CE2 3.45Å; F225-F571 AromaticContact CZ-CZ 3.67Å; F225-F571 HydrophobicContact CZ-CZ 3.67Å
226L92.6Very high89.7Confident0 Ų055.5 Ų55.50%027%0.273CS..Hα-helixtrans-55.4-51.5171.4169.170.5000111.2L222 P223 V224 L228 L229 L230 F458 V462 W463 F466 I467L222-L226 WeakPolarHBondContact O-CB 3.48Å; L222-L226 PolarHBondContact O-N 3.29Å; P223-L226 WeakPolarHBondContact O-CB 3.38Å; P223-L226 PolarHBondContact O-N 3.49Å; V224-L226 PolarHBondContact O-N 3.27Å; L226-L228 VanDerWaalsContact C-N 3.35Å; L226-L228 PolarHBondContact O-N 3Å; L226-L229 PolarHBondContact O-N 3.33Å; L226-L230 HydrophobicContact CD1-CD1 4.02Å; L226-L230 HydrophobicContact CD1-CG 4.29Å; L226-L230 HydrophobicContact CG-CD1 4.21Å; L226-L230 WeakPolarHBondContact O-CG 3.28Å; L226-L230 PolarHBondContact O-N 3.02Å; L226-F458 HydrophobicContact CD2-CZ 4.35Å; L226-V462 HydrophobicContact CD2-CG1 3.35Å; L226-W463 HydrophobicContact CB-CZ3 4.4Å; L226-F466 HydrophobicContact CD1-CB 4.07Å; L226-I467 HydrophobicContact CD1-CD1 3.34Å; L226-I467 HydrophobicContact CD1-CG1 3.62Å
227F91.4Very high89.1Confident32 Ų3253.6 Ų53.614%0.1427%0.268CS..Hα-helixtrans-63.5-40.9179.8-75.5-70.6000112.2P223 V224 L229 L230 L231 L327 A330 L331P223-F227 WeakPolarHBondContact O-CD2 3.46Å; P223-F227 PolarHBondContact O-N 3.46Å; P223-F227 VanDerWaalsContact O-N 3.13Å; V224-F227 PolarHBondContact O-N 3.5Å; F227-L229 PolarHBondContact O-N 3.49Å; F227-L230 PolarHBondContact O-N 2.8Å; F227-L231 VanDerWaalsContact O-CB 3.32Å; F227-L231 WeakPolarHBondContact O-CB 3.39Å; F227-L231 WeakPolarHBondContact O-CG 3.44Å; F227-L231 PolarHBondContact O-N 3.28Å; F227-L327 HydrophobicContact CD1-CD2 4.28Å; F227-A330 HydrophobicContact CE1-CB 3.98Å; F227-A330 HydrophobicContact CZ-CB 4.18Å; F227-L331 HydrophobicContact CE1-CB 4.17Å; F227-L331 HydrophobicContact CE2-CD1 4.32Å; F227-L331 HydrophobicContact CZ-CB 3.78Å; F227-L331 HydrophobicContact CZ-CD1 3.99Å
228L90.8Very high88.4Confident38 Ų3847.8 Ų47.820%0.19924%0.238CC..Hα-helixtrans-59.5-46.2176.1-71.4172000111.4V224 F225 L226 L230 L231 I232 F243 P245V224-L228 HydrophobicContact CG1-CD1 3.9Å; V224-L228 HydrophobicContact CG1-CG 4.32Å; V224-L228 VanDerWaalsContact O-CG 3.32Å; V224-L228 WeakPolarHBondContact O-CG 3.35Å; V224-L228 PolarHBondContact O-N 2.84Å; F225-L228 PolarHBondContact O-N 3.49Å; L226-L228 VanDerWaalsContact C-N 3.35Å; L226-L228 PolarHBondContact O-N 3Å; L228-L230 PolarHBondContact O-N 2.72Å; L228-L231 PolarHBondContact O-N 3.19Å; L228-I232 WeakPolarHBondContact O-CB 3.36Å; L228-I232 WeakPolarHBondContact O-CD1 3.46Å; L228-I232 WeakPolarHBondContact O-CG1 3.45Å; L228-I232 PolarHBondContact O-N 2.94Å; L228-F243 HydrophobicContact CD1-CE2 4.3Å; L228-F243 HydrophobicContact CD2-CE2 4.27Å; L228-P245 HydrophobicContact CD2-CG 3.84Å
229L90.7Very high87.7Confident8 Ų847.2 Ų47.24%0.04224%0.238CC..Hα-helixtrans-60.6-45.9176.9-76.7-178.7000112.4F225 L226 F227 I232 C233 I467 F470 L568 F571F225-L229 HydrophobicContact CD1-CD1 3.92Å; F225-L229 HydrophobicContact CD1-CG 4.31Å; F225-L229 HydrophobicContact CE1-CD1 3.23Å; F225-L229 HydrophobicContact CE1-CD2 4.46Å; F225-L229 HydrophobicContact CE1-CG 3.8Å; F225-L229 HydrophobicContact CE2-CG 4.36Å; F225-L229 HydrophobicContact CZ-CD1 3.63Å; F225-L229 HydrophobicContact CZ-CD2 4.03Å; F225-L229 HydrophobicContact CZ-CG 3.83Å; F225-L229 WeakPolarHBondContact O-CG 3.3Å; F225-L229 PolarHBondContact O-N 3.43Å; L226-L229 PolarHBondContact O-N 3.33Å; F227-L229 PolarHBondContact O-N 3.49Å; L229-I232 PolarHBondContact O-N 3.48Å; L229-C233 WeakPolarHBondContact O-CB 3.39Å; L229-C233 PolarHBondContact O-N 2.89Å; L229-I467 HydrophobicContact CD1-CD1 3.97Å; L229-F470 HydrophobicContact CB-CE2 4.2Å; L229-L568 HydrophobicContact CD2-CD1 3.75Å; L229-F571 HydrophobicContact CD1-CD1 3.53Å; L229-F571 HydrophobicContact CD1-CE1 3.49Å; L229-F571 VanDerWaalsContact CD1-CE1 3.49Å; L229-F571 HydrophobicContact CD1-CE2 4.49Å; L229-F571 HydrophobicContact CD1-CG 4.1Å; L229-F571 HydrophobicContact CD1-CZ 4.03Å
230L90.6Very high86.8Confident0 Ų050.6 Ų50.60%026%0.256CS..Hα-helixtrans-65.8-38.3179.2-66.4178.7000112L226 F227 L228 C233 K234 F326 L327 A330 F470 F473L226-L230 HydrophobicContact CD1-CD1 4.02Å; L226-L230 HydrophobicContact CD1-CG 4.29Å; L226-L230 HydrophobicContact CG-CD1 4.21Å; L226-L230 WeakPolarHBondContact O-CG 3.28Å; L226-L230 PolarHBondContact O-N 3.02Å; F227-L230 PolarHBondContact O-N 2.8Å; L228-L230 PolarHBondContact O-N 2.72Å; L230-C233 PolarHBondContact O-N 3.5Å; L230-K234 WeakPolarHBondContact O-CB 3.28Å; L230-K234 PolarHBondContact O-N 3.24Å; L230-K234 VanDerWaalsContact O-N 3.1Å; L230-F326 HydrophobicContact CD1-CD1 4.46Å; L230-F326 HydrophobicContact CD1-CE1 4.28Å; L230-F326 HydrophobicContact CD2-CD1 4.3Å; L230-F326 HydrophobicContact CD2-CE1 3.74Å; L230-L327 HydrophobicContact CB-CD2 3.55Å; L230-L327 HydrophobicContact CD1-CD2 4.02Å; L230-L327 HydrophobicContact CG-CD2 4.45Å; L230-A330 HydrophobicContact CD1-CB 4.22Å; L230-F470 HydrophobicContact CD2-CD2 3.98Å; L230-F470 HydrophobicContact CD2-CE2 4.12Å; L230-F473 HydrophobicContact CD2-CD1 4.13Å; L230-F473 HydrophobicContact CD2-CE1 4.18Å
231L89.8Confident85.8Confident20 Ų2052.2 Ų52.211%0.10527%0.269CS..Hα-helixtrans-68.3-42.6177.1-73.1171.9000112.1F227 L228 C233 K234 P245 L247 P248 L327F227-L231 VanDerWaalsContact O-CB 3.32Å; F227-L231 WeakPolarHBondContact O-CB 3.39Å; F227-L231 WeakPolarHBondContact O-CG 3.44Å; F227-L231 PolarHBondContact O-N 3.28Å; L228-L231 PolarHBondContact O-N 3.19Å; L231-C233 VanDerWaalsContact C-N 3.33Å; L231-K234 PolarHBondContact O-N 3.13Å; L231-P245 HydrophobicContact CB-CB 3.98Å; L231-P245 HydrophobicContact CB-CG 4.05Å; L231-L247 HydrophobicContact CD1-CD2 4.07Å; L231-P248 HydrophobicContact CD2-CG 4.12Å; L231-L327 HydrophobicContact CD2-CD1 3.67Å
232I88.7Confident84.7Confident9 Ų953.8 Ų53.85%0.04627%0.27CS..Hα-helixtrans-61.4-44.6175-67.6163.6000109.9L228 L229 K234 Q235 F243 P245 L568L228-I232 WeakPolarHBondContact O-CB 3.36Å; L228-I232 WeakPolarHBondContact O-CD1 3.46Å; L228-I232 WeakPolarHBondContact O-CG1 3.45Å; L228-I232 PolarHBondContact O-N 2.94Å; L229-I232 PolarHBondContact O-N 3.48Å; I232-K234 VanDerWaalsContact C-N 3.27Å; I232-K234 PolarHBondContact O-N 3.5Å; I232-Q235 WeakPolarHBondContact O-CB 3.48Å; I232-Q235 PolarHBondContact O-N 3.27Å; I232-Q235 VanDerWaalsContact O-N 3.17Å; I232-F243 HydrophobicContact CD1-CD2 4.31Å; I232-P245 HydrophobicContact CG1-CB 4.24Å; I232-P245 HydrophobicContact CG1-CG 4.09Å; I232-L568 HydrophobicContact CB-CD2 4.47Å; I232-L568 HydrophobicContact CG2-CD1 4.26Å; I232-L568 HydrophobicContact CG2-CD2 3.91Å
233C86.9Confident83.8Confident1 Ų157.3 Ų57.31%0.00728%0.283CS..Hα-helixtrans-64.9-29.2179.9-168.40000113.5L229 L230 L231 Q235 F470 F473 Y474 L568L229-C233 WeakPolarHBondContact O-CB 3.39Å; L229-C233 PolarHBondContact O-N 2.89Å; L230-C233 PolarHBondContact O-N 3.5Å; L231-C233 VanDerWaalsContact C-N 3.33Å; C233-Q235 VanDerWaalsContact C-N 3.26Å; C233-Q235 PolarHBondContact O-N 3.35Å; C233-F470 HydrophobicContact CB-CE2 3.78Å; C233-F470 HydrophobicContact CB-CZ 3.68Å; C233-F473 HydrophobicContact CB-CD1 4.02Å; C233-F473 HydrophobicContact CB-CE1 3.88Å; C233-Y474 VanDerWaalsContact SG-CA 3.58Å; C233-L568 HydrophobicContact CB-CD2 3.7Å
234K85.6Confident82.7Confident118 Ų11861.2 Ų61.251%0.51331%0.309SS..Hα-helixtrans-74.5-15.4178.2-168.8174.1179.1179.60112.9L230 L231 I232 L327L230-K234 WeakPolarHBondContact O-CB 3.28Å; L230-K234 PolarHBondContact O-N 3.24Å; L230-K234 VanDerWaalsContact O-N 3.1Å; L231-K234 PolarHBondContact O-N 3.13Å; I232-K234 VanDerWaalsContact C-N 3.27Å; I232-K234 PolarHBondContact O-N 3.5Å; K234-L327 HydrophobicContact CD-CD1 4.41Å
235Q81.8Confident81.9Confident38 Ų3857.2 Ų57.218%0.17829%0.285CS..SBendtrans-69.6155.8178.6-62.5-174.213.400111.7I232 C233 D237 P245 H478I232-Q235 WeakPolarHBondContact O-CB 3.48Å; I232-Q235 PolarHBondContact O-N 3.27Å; I232-Q235 VanDerWaalsContact O-N 3.17Å; C233-Q235 VanDerWaalsContact C-N 3.26Å; C233-Q235 PolarHBondContact O-N 3.35Å; Q235-D237 VanDerWaalsContact C-N 3.25Å; Q235-D237 PolarHBondContact O-N 2.95Å; Q235-P245 VanDerWaalsContact NE2-CA 3.33Å; Q235-P245 VanDerWaalsContact NE2-CB 3.25Å; Q235-H478 PolarHBondContact O-CE1 3.19Å
236K74.8Confident81.2Confident208 Ų20858.5 Ų58.590%0.90430%0.301SS*.SBendtrans-59.3-39.1174.8-69.4-174.5178.4-178.10111.8H478K236-H478 PolarHBondContact O-NE2 2.98Å
237D76.2Confident80.5Confident75 Ų7565 Ų6540%0.40134%0.335SS..SBendtrans-115.1103.4172.5177.621.4000110.1Q235 S239 N242 H566Q235-D237 VanDerWaalsContact C-N 3.25Å; Q235-D237 PolarHBondContact O-N 2.95Å; D237-S239 PolarHBondContact O-N 3.35Å; D237-S239 PolarHBondContact OD1-N 3.3Å; D237-N242 PolarHBondContact O-ND2 3.4Å; D237-N242 PolarHBondContact OD2-ND2 3.5Å; D237-N242 VanDerWaalsContact OD2-ND2 3.11Å; D237-H566 IonicContact OD1-CE1 3.6Å; D237-H566 PolarHBondContact OD1-CE1 2.92Å
238P77.3Confident80Confident2 Ų265.1 Ų65.11%0.01334%0.339CS..  trans-82.835.5-175.334.6-35.2000111.9Y474 H478 H566 L568P238-Y474 HydrophobicContact CG-CD2 4.46Å; P238-Y474 HydrophobicContact CG-CE2 3.82Å; P238-H478 VanDerWaalsContact CD-NE2 3.29Å; P238-H478 WeakPolarHBondContact CD-NE2 3.46Å; P238-H566 HydrophobicContact CG-CB 4.4Å; P238-L568 HydrophobicContact CB-CD2 4.14Å
239S76.4Confident79.5Confident29 Ų2964.9 Ų64.920%0.20334%0.343CS..  trans-72.7140.2174.5-174.60000111.4D237 L241 N242D237-S239 PolarHBondContact O-N 3.35Å; D237-S239 PolarHBondContact OD1-N 3.3Å; S239-L241 PolarHBondContact O-N 2.94Å; S239-L241 VanDerWaalsContact O-N 3.13Å; S239-L241 PolarHBondContact OG-N 2.93Å; S239-N242 PolarHBondContact O-N 3.29Å
240L74.6Confident78.7Confident95 Ų9571.6 Ų71.650%0.49738%0.377SS..THydrogen-bonded Turntrans-63.4-15172.4-66179.4000112.8N242 I567 L568L240-N242 VanDerWaalsContact C-N 3.3Å; L240-I567 HydrophobicContact CD1-CG2 3.48Å; L240-I567 VanDerWaalsContact CD1-CG2 3.48Å; L240-I567 HydrophobicContact CG-CG2 3.98Å; L240-L568 HydrophobicContact CD2-CD1 3.9Å
241L70.3Confident78Confident154 Ų15479.9 Ų79.981%0.80641%0.41SS*.THydrogen-bonded Turntrans-73-21.2177.1-63.9173.3000112.9S239 F243S239-L241 PolarHBondContact O-N 2.94Å; S239-L241 VanDerWaalsContact O-N 3.13Å; S239-L241 PolarHBondContact OG-N 2.93Å; L241-F243 PolarHBondContact O-N 3.49Å
242N69.7Low77.5Confident64 Ų6483.5 Ų83.534%0.34243%0.426SS..SBendtrans-83.733.2179.2-64-33.6000112.4D237 S239 L240 P244D237-N242 PolarHBondContact O-ND2 3.4Å; D237-N242 PolarHBondContact OD2-ND2 3.5Å; D237-N242 VanDerWaalsContact OD2-ND2 3.11Å; S239-N242 PolarHBondContact O-N 3.29Å; L240-N242 VanDerWaalsContact C-N 3.3Å; N242-P244 CarbonylContact O-C 3.54Å
243F73.1Confident77.2Confident129 Ų12984.4 Ų84.457%0.56643%0.431SS*.PPolyproline II helixtrans-91.2136.2178.5-169.6-89.4000110.9L228 I232 L241L228-F243 HydrophobicContact CD1-CE2 4.3Å; L228-F243 HydrophobicContact CD2-CE2 4.27Å; I232-F243 HydrophobicContact CD1-CD2 4.31Å; L241-F243 PolarHBondContact O-N 3.49Å
244P70.6Confident77.3Confident99 Ų9989.1 Ų89.164%0.64345%0.449SS*.SBendcis-82.2146.1-0.831.9-33.6000113.1N242N242-P244 CarbonylContact O-C 3.54Å
245P76.9Confident77.4Confident5 Ų586 Ų863%0.03244%0.436CS..PPolyproline II helixtrans-64.4151.117429.5-36000111.3L228 L231 I232 Q235 L247L228-P245 HydrophobicContact CD2-CG 3.84Å; L231-P245 HydrophobicContact CB-CB 3.98Å; L231-P245 HydrophobicContact CB-CG 4.05Å; I232-P245 HydrophobicContact CG1-CB 4.24Å; I232-P245 HydrophobicContact CG1-CG 4.09Å; Q235-P245 VanDerWaalsContact NE2-CA 3.33Å; Q235-P245 VanDerWaalsContact NE2-CB 3.25Å; P245-L247 PolarHBondContact O-N 3.28Å; P245-L247 VanDerWaalsContact O-N 3.14Å
246P76.2Confident77.9Confident104 Ų10489 Ų8968%0.67546%0.457SS*.PPolyproline II helixtrans-62120.2174.126.1-31.8000109.1
247L79.3Confident78.7Confident136 Ų13688.4 Ų88.471%0.71245%0.449SS*.PPolyproline II helixtrans-78.1123-179.9-64.4175.4000109L231 P245L231-L247 HydrophobicContact CD1-CD2 4.07Å; P245-L247 PolarHBondContact O-N 3.28Å; P245-L247 VanDerWaalsContact O-N 3.14Å
248P79.3Confident79.6Confident35 Ų3584.9 Ų84.923%0.22743%0.43CS..PPolyproline II helixtrans-66.5155173.129.1-34000109.9L231 L253L231-P248 HydrophobicContact CD2-CG 4.12Å; P248-L253 HydrophobicContact CB-CD2 4.44Å; P248-L253 HydrophobicContact CB-CG 4.45Å; P248-L253 HydrophobicContact CG-CD1 4.11Å; P248-L253 HydrophobicContact CG-CD2 3.59Å; P248-L253 HydrophobicContact CG-CG 3.85Å
249A80.4Confident80.4Confident34 Ų3486.9 Ų86.928%0.28144%0.439SS..PPolyproline II helixtrans-66.1147.4176.600000110.7Y251 E252 L253A249-Y251 HydrophobicContact CB-CD1 3.62Å; A249-Y251 HydrophobicContact CB-CE1 3.16Å; A249-Y251 HydrophobicContact CB-CE2 4.37Å; A249-Y251 HydrophobicContact CB-CG 4.39Å; A249-Y251 PolarHBondContact O-N 2.87Å; A249-Y251 VanDerWaalsContact O-N 3.13Å; A249-E252 HydrophobicContact CB-CG 4.2Å; A249-E252 WeakPolarHBondContact O-CB 3.36Å; A249-E252 PolarHBondContact O-N 2.86Å; A249-L253 PolarHBondContact O-N 2.95Å
250L75.3Confident81.3Confident148 Ų14887.2 Ų87.278%0.77545%0.447SS*.Hα-helixtrans-58.6-31-175.7-67.9176.7000113.2E252 L253 W254L250-E252 VanDerWaalsContact C-N 3.29Å; L250-E252 PolarHBondContact O-N 3.36Å; L250-L253 HydrophobicContact CD2-CD1 4.38Å; L250-L253 PolarHBondContact O-N 3.41Å; L250-W254 PolarHBondContact O-N 3.02Å
251Y74.1Confident82.2Confident175 Ų17585.8 Ų85.869%0.68644%0.442SS*.Hα-helixtrans-70.8-23.4176.466.7-98.9000112.8A249 L253A249-Y251 HydrophobicContact CB-CD1 3.62Å; A249-Y251 HydrophobicContact CB-CE1 3.16Å; A249-Y251 HydrophobicContact CB-CE2 4.37Å; A249-Y251 HydrophobicContact CB-CG 4.39Å; A249-Y251 PolarHBondContact O-N 2.87Å; A249-Y251 VanDerWaalsContact O-N 3.13Å; Y251-L253 VanDerWaalsContact C-N 3.35Å
252E80.1Confident83.4Confident95 Ų9579.2 Ų79.244%0.44441%0.407SS..Hα-helixtrans-79.7-23.6176.2-58.8178.5173.900111.6A249 L250 Q328A249-E252 HydrophobicContact CB-CG 4.2Å; A249-E252 WeakPolarHBondContact O-CB 3.36Å; A249-E252 PolarHBondContact O-N 2.86Å; L250-E252 VanDerWaalsContact C-N 3.29Å; L250-E252 PolarHBondContact O-N 3.36Å; E252-Q328 PolarHBondContact O-NE2 3.49Å
253L82.2Confident84.6Confident28 Ų2878.9 Ų78.915%0.14740%0.404CS..Hα-helixtrans-82.3-19.9178.6-68.9174.9000113.2P248 A249 L250 Y251 L327 Q328 L331P248-L253 HydrophobicContact CB-CD2 4.44Å; P248-L253 HydrophobicContact CB-CG 4.45Å; P248-L253 HydrophobicContact CG-CD1 4.11Å; P248-L253 HydrophobicContact CG-CD2 3.59Å; P248-L253 HydrophobicContact CG-CG 3.85Å; A249-L253 PolarHBondContact O-N 2.95Å; L250-L253 HydrophobicContact CD2-CD1 4.38Å; L250-L253 PolarHBondContact O-N 3.41Å; Y251-L253 VanDerWaalsContact C-N 3.35Å; L253-L327 HydrophobicContact CD2-CB 4.25Å; L253-Q328 WeakPolarHBondContact O-CA 3.23Å; L253-Q328 WeakPolarHBondContact O-CG 3.31Å; L253-L331 HydrophobicContact CB-CD2 3.83Å; L253-L331 WeakPolarHBondContact O-CD2 3.24Å
254W88.6Confident85.7Confident101 Ų10177.4 Ų77.438%0.38340%0.402SS..  trans-114.5115.1-177.5-174.2-95.5000112.4L250 F259 L331 V335L250-W254 PolarHBondContact O-N 3.02Å; W254-F259 HydrophobicContact CH2-CB 4.26Å; W254-F259 HydrophobicContact CH2-CD1 4.23Å; W254-F259 AromaticContact CH2-CD2 3.97Å; W254-F259 HydrophobicContact CH2-CD2 3.97Å; W254-F259 HydrophobicContact CH2-CE2 4.37Å; W254-F259 AromaticContact CH2-CG 3.89Å; W254-F259 HydrophobicContact CH2-CG 3.89Å; W254-F259 HydrophobicContact CZ2-CB 4.33Å; W254-F259 HydrophobicContact CZ2-CD1 4.3Å; W254-F259 HydrophobicContact CZ2-CG 4.21Å; W254-L331 HydrophobicContact CE3-CD2 4.04Å; W254-L331 HydrophobicContact CE3-CG 4.27Å; W254-V335 HydrophobicContact CH2-CB 4.48Å; W254-V335 HydrophobicContact CH2-CG1 4.26Å; W254-V335 HydrophobicContact CZ3-CB 4.19Å; W254-V335 HydrophobicContact CZ3-CG1 4.4Å; W254-V335 HydrophobicContact CZ3-CG2 3.84Å
255E89.2Confident86.8Confident52 Ų5275.1 Ų75.124%0.24338%0.381CS..  trans-125.8122.8169.2-169.417416000110.8R257 V258 F259 Y321 H325 Q328E255-R257 VanDerWaalsContact C-N 3.25Å; E255-R257 HydrophobicContact CG-CB 4.27Å; E255-R257 PolarHBondContact O-N 2.92Å; E255-V258 HydrophobicContact CB-CB 4.2Å; E255-V258 HydrophobicContact CB-CG2 3.99Å; E255-V258 HydrophobicContact CG-CG2 4.23Å; E255-V258 PolarHBondContact O-N 3.32Å; E255-F259 PolarHBondContact O-N 3.48Å; E255-F259 VanDerWaalsContact O-N 3.1Å; E255-Y321 PolarHBondContact OE1-OH 3.24Å; E255-H325 IonicContact OE2-CD2 3.32Å; E255-H325 PolarHBondContact OE2-CD2 3.42Å; E255-H325 VanDerWaalsContact OE2-CD2 3.32Å; E255-H325 IonicContact OE2-NE2 3.56Å; E255-Q328 PolarHBondContact OE2-OE1 3.04Å
256T91.5Very high87.7Confident102 Ų10276.2 Ų76.263%0.62639%0.385SS*.Hα-helixtrans-65.9-30.6-175.4-57.50000112G260T256-G260 PolarHBondContact O-N 2.91Å
257R92.6Very high88.6Confident194 Ų19476.4 Ų76.473%0.73238%0.38SS*.Hα-helixtrans-65.9-45.8176.6-64.2178.9179-175.20.6111.2E255 F259 G260 V261E255-R257 VanDerWaalsContact C-N 3.25Å; E255-R257 HydrophobicContact CG-CB 4.27Å; E255-R257 PolarHBondContact O-N 2.92Å; R257-F259 PolarHBondContact O-N 3.42Å; R257-G260 WeakPolarHBondContact O-CA 3.28Å; R257-G260 PolarHBondContact O-N 3.35Å; R257-G260 VanDerWaalsContact O-N 3.11Å; R257-V261 WeakPolarHBondContact O-CG2 3.5Å; R257-V261 PolarHBondContact O-N 3.48Å
258V93.2Very high89.3Confident1 Ų172.4 Ų72.41%0.00636%0.359CS..Hα-helixtrans-61.7-44.2177.2174.10000111.3E255 G260 V261 Y262 Y321 H325 Q328 F329E255-V258 HydrophobicContact CB-CB 4.2Å; E255-V258 HydrophobicContact CB-CG2 3.99Å; E255-V258 HydrophobicContact CG-CG2 4.23Å; E255-V258 PolarHBondContact O-N 3.32Å; V258-G260 VanDerWaalsContact C-N 3.3Å; V258-G260 PolarHBondContact O-N 3.3Å; V258-V261 PolarHBondContact O-N 3.35Å; V258-V261 VanDerWaalsContact O-N 3.16Å; V258-Y262 PolarHBondContact O-N 2.95Å; V258-Y321 HydrophobicContact CG2-CE1 3.94Å; V258-Y321 WeakPolarHBondContact CG2-OH 3.4Å; V258-H325 HydrophobicContact CG2-CB 3.88Å; V258-Q328 HydrophobicContact CB-CB 4.45Å; V258-Q328 HydrophobicContact CG1-CB 3.99Å; V258-Q328 VanDerWaalsContact CG2-OE1 3.31Å; V258-F329 HydrophobicContact CG1-CB 4.39Å; V258-F329 HydrophobicContact CG1-CD1 3.66Å; V258-F329 HydrophobicContact CG1-CD2 3.63Å; V258-F329 HydrophobicContact CG1-CE1 3.71Å; V258-F329 HydrophobicContact CG1-CE2 3.65Å; V258-F329 HydrophobicContact CG1-CG 3.62Å; V258-F329 HydrophobicContact CG1-CZ 3.71Å
259F94.3Very high90.1Very high45 Ų4570.8 Ų70.820%0.19735%0.348CS..Hα-helixtrans-59.9-41.2173.4-175.6-114.7000112W254 E255 R257 V261 Y262 L263 G332 F336W254-F259 HydrophobicContact CH2-CB 4.26Å; W254-F259 HydrophobicContact CH2-CD1 4.23Å; W254-F259 AromaticContact CH2-CD2 3.97Å; W254-F259 HydrophobicContact CH2-CD2 3.97Å; W254-F259 HydrophobicContact CH2-CE2 4.37Å; W254-F259 AromaticContact CH2-CG 3.89Å; W254-F259 HydrophobicContact CH2-CG 3.89Å; W254-F259 HydrophobicContact CZ2-CB 4.33Å; W254-F259 HydrophobicContact CZ2-CD1 4.3Å; W254-F259 HydrophobicContact CZ2-CG 4.21Å; E255-F259 PolarHBondContact O-N 3.48Å; E255-F259 VanDerWaalsContact O-N 3.1Å; R257-F259 PolarHBondContact O-N 3.42Å; F259-V261 PolarHBondContact O-N 2.87Å; F259-Y262 PolarHBondContact O-N 3.34Å; F259-L263 HydrophobicContact CD1-CD1 3.97Å; F259-L263 HydrophobicContact CD1-CG 4.43Å; F259-L263 HydrophobicContact CE1-CD1 3.54Å; F259-L263 HydrophobicContact CE1-CG 4.1Å; F259-L263 HydrophobicContact CE2-CD2 4.46Å; F259-L263 HydrophobicContact CE2-CG 4.43Å; F259-L263 HydrophobicContact CZ-CD1 3.97Å; F259-L263 HydrophobicContact CZ-CD2 4.09Å; F259-L263 HydrophobicContact CZ-CG 4.09Å; F259-L263 WeakPolarHBondContact O-CG 3.42Å; F259-L263 PolarHBondContact O-N 3.49Å; F259-G332 WeakPolarHBondContact CE2-O 3.36Å; F259-F336 HydrophobicContact CE2-CB 4.29Å
260G95.2Very high90.7Very high35 Ų3570.5 Ų70.536%0.36134%0.342SS..Hα-helixtrans-59.5-41.3173.100000113.5T256 R257 V258 L263 L264T256-G260 PolarHBondContact O-N 2.91Å; R257-G260 WeakPolarHBondContact O-CA 3.28Å; R257-G260 PolarHBondContact O-N 3.35Å; R257-G260 VanDerWaalsContact O-N 3.11Å; V258-G260 VanDerWaalsContact C-N 3.3Å; V258-G260 PolarHBondContact O-N 3.3Å; G260-L263 PolarHBondContact O-N 3.48Å; G260-L264 WeakPolarHBondContact O-CB 3.44Å; G260-L264 PolarHBondContact O-N 3.14Å
261V93.9Very high91.6Very high66 Ų6668.5 Ų68.540%0.433%0.332SS..Hα-helixtrans-65.4-41.2175.5175.70000111.3R257 V258 F259 L264 W265 F329R257-V261 WeakPolarHBondContact O-CG2 3.5Å; R257-V261 PolarHBondContact O-N 3.48Å; V258-V261 PolarHBondContact O-N 3.35Å; V258-V261 VanDerWaalsContact O-N 3.16Å; F259-V261 PolarHBondContact O-N 2.87Å; V261-L264 WeakPolarHBondContact O-CB 3.2Å; V261-L264 PolarHBondContact O-N 3.24Å; V261-W265 PolarHBondContact O-N 2.82Å; V261-F329 HydrophobicContact CB-CE1 4.18Å; V261-F329 HydrophobicContact CB-CZ 4.25Å; V261-F329 HydrophobicContact CG1-CE1 4.01Å; V261-F329 HydrophobicContact CG1-CZ 3.98Å
262Y95.3Very high92.6Very high16 Ų1661 Ų616%0.06330%0.303CS..Hα-helixtrans-62.1-43.3174.8175.8-93.8000112.2V258 F259 L264 W265 F266 A333 F336V258-Y262 PolarHBondContact O-N 2.95Å; F259-Y262 PolarHBondContact O-N 3.34Å; Y262-L264 VanDerWaalsContact C-N 3.35Å; Y262-W265 WeakPolarHBondContact O-CB 3.35Å; Y262-W265 PolarHBondContact O-N 3.24Å; Y262-F266 PolarHBondContact O-N 3.33Å; Y262-A333 HydrophobicContact CD2-CB 4.2Å; Y262-A333 HydrophobicContact CE1-CB 4.37Å; Y262-A333 HydrophobicContact CE2-CB 3.54Å; Y262-F336 HydrophobicContact CD1-CB 4.41Å; Y262-F336 HydrophobicContact CE1-CB 3.68Å; Y262-F336 AromaticContact CE1-CD1 3.79Å; Y262-F336 HydrophobicContact CE1-CD1 3.79Å; Y262-F336 HydrophobicContact CE1-CD2 4.38Å; Y262-F336 AromaticContact CE1-CG 3.69Å; Y262-F336 HydrophobicContact CE1-CG 3.69Å
263L95.6Very high93.1Very high56 Ų5657 Ų5729%0.29328%0.284SS..Hα-helixtrans-63.3-41.8175.1-70.7179000111.7F259 G260 W265 F266 L267 F336F259-L263 HydrophobicContact CD1-CD1 3.97Å; F259-L263 HydrophobicContact CD1-CG 4.43Å; F259-L263 HydrophobicContact CE1-CD1 3.54Å; F259-L263 HydrophobicContact CE1-CG 4.1Å; F259-L263 HydrophobicContact CE2-CD2 4.46Å; F259-L263 HydrophobicContact CE2-CG 4.43Å; F259-L263 HydrophobicContact CZ-CD1 3.97Å; F259-L263 HydrophobicContact CZ-CD2 4.09Å; F259-L263 HydrophobicContact CZ-CG 4.09Å; F259-L263 WeakPolarHBondContact O-CG 3.42Å; F259-L263 PolarHBondContact O-N 3.49Å; G260-L263 PolarHBondContact O-N 3.48Å; L263-W265 VanDerWaalsContact C-N 3.33Å; L263-W265 PolarHBondContact O-N 2.82Å; L263-F266 PolarHBondContact O-N 3Å; L263-L267 WeakPolarHBondContact O-CB 3.5Å; L263-L267 VanDerWaalsContact O-CG 3.26Å; L263-L267 WeakPolarHBondContact O-CG 3.29Å; L263-L267 PolarHBondContact O-N 2.76Å; L263-F336 HydrophobicContact CD2-CD2 3.66Å; L263-F336 HydrophobicContact CD2-CE2 3.83Å
264L95.1Very high93.6Very high98 Ų9859.9 Ų59.951%0.51330%0.299SS..Hα-helixtrans-59.5-44.6174.7178.562.7000111.3G260 V261 Y262 F266 L267 I268G260-L264 WeakPolarHBondContact O-CB 3.44Å; G260-L264 PolarHBondContact O-N 3.14Å; V261-L264 WeakPolarHBondContact O-CB 3.2Å; V261-L264 PolarHBondContact O-N 3.24Å; Y262-L264 VanDerWaalsContact C-N 3.35Å; L264-F266 PolarHBondContact O-N 2.92Å; L264-L267 PolarHBondContact O-N 2.95Å; L264-I268 HydrophobicContact CD1-CD1 4.1Å; L264-I268 HydrophobicContact CD1-CG1 4.26Å; L264-I268 HydrophobicContact CG-CD1 3.91Å; L264-I268 HydrophobicContact CG-CG1 4.49Å; L264-I268 VanDerWaalsContact O-CG1 3.28Å; L264-I268 WeakPolarHBondContact O-CG1 3.19Å; L264-I268 PolarHBondContact O-N 2.96Å
265W94.7Very high93.6Very high52 Ų5257.8 Ų57.820%0.19730%0.295CS..Hα-helixtrans-55.6-50.5173.7164.1-106.2000111.7V261 Y262 L263 L267 I268 Q269 T305 P391 I394 G395 V398V261-W265 PolarHBondContact O-N 2.82Å; Y262-W265 WeakPolarHBondContact O-CB 3.35Å; Y262-W265 PolarHBondContact O-N 3.24Å; L263-W265 VanDerWaalsContact C-N 3.33Å; L263-W265 PolarHBondContact O-N 2.82Å; W265-L267 VanDerWaalsContact C-N 3.33Å; W265-L267 PolarHBondContact O-N 3.48Å; W265-I268 PolarHBondContact O-N 2.73Å; W265-Q269 HydrophobicContact CD2-CG 4.21Å; W265-Q269 HydrophobicContact CE3-CG 4.47Å; W265-Q269 HydrophobicContact CH2-CG 4.17Å; W265-Q269 HydrophobicContact CZ2-CG 3.82Å; W265-Q269 HydrophobicContact CZ3-CG 4.47Å; W265-Q269 WeakPolarHBondContact O-CG 3.44Å; W265-Q269 PolarHBondContact O-N 2.95Å; W265-T305 HydrophobicContact CH2-CG2 3.78Å; W265-T305 HydrophobicContact CZ3-CG2 3.71Å; W265-P391 PolarHBondContact NE1-O 3.44Å; W265-I394 HydrophobicContact CH2-CB 4.41Å; W265-I394 HydrophobicContact CH2-CG2 3.86Å; W265-I394 HydrophobicContact CZ2-CB 4.42Å; W265-I394 HydrophobicContact CZ2-CG2 4.35Å; W265-G395 VanDerWaalsContact CZ2-CA 3.47Å; W265-V398 HydrophobicContact CH2-CG2 3.85Å; W265-V398 HydrophobicContact CZ3-CG2 4.23Å
266F95.4Very high93.5Very high27 Ų2760.5 Ų60.512%0.11832%0.317CS..Hα-helixtrans-59-44.9178.4-172-87.9000111.5Y262 L263 L264 Q269 V270 F336 F386 P391 L461Y262-F266 PolarHBondContact O-N 3.33Å; L263-F266 PolarHBondContact O-N 3Å; L264-F266 PolarHBondContact O-N 2.92Å; F266-Q269 PolarHBondContact O-N 2.87Å; F266-V270 HydrophobicContact CD1-CG2 3.93Å; F266-V270 HydrophobicContact CE1-CG2 3.71Å; F266-V270 HydrophobicContact CZ-CG2 4.47Å; F266-V270 WeakPolarHBondContact O-CG2 3.2Å; F266-V270 PolarHBondContact O-N 3.24Å; F266-F336 AromaticContact CD1-CZ 3.97Å; F266-F336 HydrophobicContact CD1-CZ 3.97Å; F266-F336 AromaticContact CD2-CE1 3.74Å; F266-F336 HydrophobicContact CD2-CE1 3.74Å; F266-F336 AromaticContact CD2-CZ 3.91Å; F266-F336 HydrophobicContact CD2-CZ 3.91Å; F266-F336 HydrophobicContact CE1-CE1 4.45Å; F266-F336 AromaticContact CE1-CZ 3.81Å; F266-F336 HydrophobicContact CE1-CZ 3.81Å; F266-F336 AromaticContact CE2-CE1 3.52Å; F266-F336 HydrophobicContact CE2-CE1 3.52Å; F266-F336 AromaticContact CE2-CZ 3.74Å; F266-F336 HydrophobicContact CE2-CZ 3.74Å; F266-F336 HydrophobicContact CG-CE1 4.28Å; F266-F336 HydrophobicContact CG-CZ 4.01Å; F266-F336 AromaticContact CZ-CE1 3.91Å; F266-F336 HydrophobicContact CZ-CE1 3.91Å; F266-F336 AromaticContact CZ-CZ 3.69Å; F266-F336 HydrophobicContact CZ-CZ 3.69Å; F266-F386 HydrophobicContact CD2-CE1 4.3Å; F266-F386 HydrophobicContact CE1-CE1 4.11Å; F266-F386 HydrophobicContact CE2-CD1 4.46Å; F266-F386 AromaticContact CE2-CE1 3.66Å; F266-F386 HydrophobicContact CE2-CE1 3.66Å; F266-F386 HydrophobicContact CZ-CD1 4.24Å; F266-F386 AromaticContact CZ-CE1 3.55Å; F266-F386 HydrophobicContact CZ-CE1 3.55Å; F266-P391 HydrophobicContact CD2-CB 4.15Å; F266-P391 HydrophobicContact CD2-CG 4.28Å; F266-P391 HydrophobicContact CE2-CG 4.2Å; F266-L461 HydrophobicContact CE2-CD1 4.37Å; F266-L461 HydrophobicContact CE2-CD2 4.32Å
267L94.9Very high93.3Very high109 Ų10959.2 Ų59.257%0.57131%0.306SS*.Hα-helixtrans-64.6-39.6178.8-71171.9000112.9L263 L264 W265 Q269 V270 L271L263-L267 WeakPolarHBondContact O-CB 3.5Å; L263-L267 VanDerWaalsContact O-CG 3.26Å; L263-L267 WeakPolarHBondContact O-CG 3.29Å; L263-L267 PolarHBondContact O-N 2.76Å; L264-L267 PolarHBondContact O-N 2.95Å; W265-L267 VanDerWaalsContact C-N 3.33Å; W265-L267 PolarHBondContact O-N 3.48Å; L267-Q269 VanDerWaalsContact C-N 3.32Å; L267-Q269 PolarHBondContact O-N 3.36Å; L267-V270 WeakPolarHBondContact O-CB 3.49Å; L267-V270 PolarHBondContact O-N 2.97Å; L267-L271 PolarHBondContact O-N 3.44Å
268I94.9Very high93.1Very high52 Ų5251.6 Ų51.627%0.26729%0.287SS..Hα-helixtrans-61.1-44.4174.6-71.9167.4000110.1L264 W265 V270 L271 F272L264-I268 HydrophobicContact CD1-CD1 4.1Å; L264-I268 HydrophobicContact CD1-CG1 4.26Å; L264-I268 HydrophobicContact CG-CD1 3.91Å; L264-I268 HydrophobicContact CG-CG1 4.49Å; L264-I268 VanDerWaalsContact O-CG1 3.28Å; L264-I268 WeakPolarHBondContact O-CG1 3.19Å; L264-I268 PolarHBondContact O-N 2.96Å; W265-I268 PolarHBondContact O-N 2.73Å; I268-V270 VanDerWaalsContact C-N 3.34Å; I268-V270 PolarHBondContact O-N 2.82Å; I268-L271 WeakPolarHBondContact O-CB 3.49Å; I268-L271 PolarHBondContact O-N 3.36Å; I268-F272 HydrophobicContact CG2-CD2 4.17Å; I268-F272 HydrophobicContact CG2-CE1 4.11Å; I268-F272 HydrophobicContact CG2-CE2 3.6Å; I268-F272 HydrophobicContact CG2-CZ 3.57Å; I268-F272 WeakPolarHBondContact O-CG 3.45Å; I268-F272 PolarHBondContact O-N 2.97Å
269Q95.5Very high92.9Very high0 Ų057.6 Ų57.60%031%0.313CS..Hα-helixtrans-64.8-38.5176.9-65.6-55.6-33.400111.9W265 F266 L267 F272 Y273 T305 F386W265-Q269 HydrophobicContact CD2-CG 4.21Å; W265-Q269 HydrophobicContact CE3-CG 4.47Å; W265-Q269 HydrophobicContact CH2-CG 4.17Å; W265-Q269 HydrophobicContact CZ2-CG 3.82Å; W265-Q269 HydrophobicContact CZ3-CG 4.47Å; W265-Q269 WeakPolarHBondContact O-CG 3.44Å; W265-Q269 PolarHBondContact O-N 2.95Å; F266-Q269 PolarHBondContact O-N 2.87Å; L267-Q269 VanDerWaalsContact C-N 3.32Å; L267-Q269 PolarHBondContact O-N 3.36Å; Q269-F272 PolarHBondContact O-N 3.39Å; Q269-Y273 WeakPolarHBondContact O-CB 3.49Å; Q269-Y273 PolarHBondContact O-N 3.23Å; Q269-T305 PolarHBondContact NE2-OG1 2.73Å; Q269-F386 HydrophobicContact CB-CE2 4.12Å; Q269-F386 HydrophobicContact CB-CZ 3.86Å; Q269-F386 WeakPolarHBondContact O-CE2 3.47Å
270V94.1Very high92.9Very high28 Ų2859 Ų5917%0.1733%0.326CS..Hα-helixtrans-60.2-45.5172.3171.40000110.7F266 L267 I268 F272 Y273 L274 F381 F386F266-V270 HydrophobicContact CD1-CG2 3.93Å; F266-V270 HydrophobicContact CE1-CG2 3.71Å; F266-V270 HydrophobicContact CZ-CG2 4.47Å; F266-V270 WeakPolarHBondContact O-CG2 3.2Å; F266-V270 PolarHBondContact O-N 3.24Å; L267-V270 WeakPolarHBondContact O-CB 3.49Å; L267-V270 PolarHBondContact O-N 2.97Å; I268-V270 VanDerWaalsContact C-N 3.34Å; I268-V270 PolarHBondContact O-N 2.82Å; V270-F272 VanDerWaalsContact C-N 3.33Å; V270-F272 PolarHBondContact O-N 2.86Å; V270-Y273 WeakPolarHBondContact O-CB 3.4Å; V270-Y273 PolarHBondContact O-N 3.26Å; V270-L274 HydrophobicContact CG1-CD1 3.97Å; V270-L274 HydrophobicContact CG1-CG 4.37Å; V270-L274 WeakPolarHBondContact O-CG 3.16Å; V270-L274 PolarHBondContact O-N 2.98Å; V270-F381 HydrophobicContact CG1-CE2 4.33Å; V270-F381 HydrophobicContact CG2-CE2 4.4Å; V270-F381 HydrophobicContact CG2-CZ 4.07Å; V270-F386 HydrophobicContact CB-CZ 4.29Å; V270-F386 HydrophobicContact CG2-CE1 3.8Å; V270-F386 HydrophobicContact CG2-CE2 4.11Å; V270-F386 HydrophobicContact CG2-CZ 3.45Å; V270-F386 VanDerWaalsContact CG2-CZ 3.45Å
271L94.1Very high92.6Very high106 Ų10658.1 Ų58.156%0.55531%0.313SS*.Hα-helixtrans-58.4-45.9178.2-179.465.1000111.3L267 I268 Y273 L274 L275L267-L271 PolarHBondContact O-N 3.44Å; I268-L271 WeakPolarHBondContact O-CB 3.49Å; I268-L271 PolarHBondContact O-N 3.36Å; L271-Y273 VanDerWaalsContact C-N 3.32Å; L271-Y273 PolarHBondContact O-N 2.93Å; L271-L274 PolarHBondContact O-N 3.44Å; L271-L275 PolarHBondContact O-N 3.29Å
272F93.9Very high92.4Very high19 Ų1959.9 Ų59.98%0.08332%0.317CS..Hα-helixtrans-65.3-36.4178-65.2-10000112.5I268 Q269 V270 L274 L275 N297 A301 L304 T305 V308I268-F272 HydrophobicContact CG2-CD2 4.17Å; I268-F272 HydrophobicContact CG2-CE1 4.11Å; I268-F272 HydrophobicContact CG2-CE2 3.6Å; I268-F272 HydrophobicContact CG2-CZ 3.57Å; I268-F272 WeakPolarHBondContact O-CG 3.45Å; I268-F272 PolarHBondContact O-N 2.97Å; Q269-F272 PolarHBondContact O-N 3.39Å; V270-F272 VanDerWaalsContact C-N 3.33Å; V270-F272 PolarHBondContact O-N 2.86Å; F272-L274 VanDerWaalsContact C-N 3.33Å; F272-L274 PolarHBondContact O-N 2.95Å; F272-L275 HydrophobicContact CD1-CD1 4.31Å; F272-L275 WeakPolarHBondContact O-CB 3.25Å; F272-L275 PolarHBondContact O-N 3.34Å; F272-N297 PolarHBondContact O-ND2 3.36Å; F272-A301 HydrophobicContact CB-CB 3.95Å; F272-L304 HydrophobicContact CD1-CD2 3.33Å; F272-L304 HydrophobicContact CD1-CG 4.17Å; F272-L304 HydrophobicContact CD2-CB 4.37Å; F272-L304 HydrophobicContact CD2-CD2 4.16Å; F272-L304 HydrophobicContact CD2-CG 4.31Å; F272-L304 HydrophobicContact CE1-CD2 3.21Å; F272-L304 HydrophobicContact CE1-CG 3.69Å; F272-L304 HydrophobicContact CE2-CB 4.13Å; F272-L304 HydrophobicContact CE2-CD2 4.05Å; F272-L304 HydrophobicContact CE2-CG 3.83Å; F272-L304 HydrophobicContact CG-CD2 3.83Å; F272-L304 HydrophobicContact CG-CG 4.47Å; F272-L304 HydrophobicContact CZ-CB 4.31Å; F272-L304 HydrophobicContact CZ-CD2 3.6Å; F272-L304 HydrophobicContact CZ-CG 3.5Å; F272-L304 VanDerWaalsContact CZ-CG 3.5Å; F272-T305 WeakPolarHBondContact CE2-OG1 3.31Å; F272-V308 HydrophobicContact CZ-CG2 4.24Å
273Y91.6Very high92Very high11 Ų1159.5 Ų59.54%0.04332%0.318CS..Hα-helixtrans-64.3-37.6174.2-179.8-83.8000112.3Q269 V270 L271 L275 N297 F381 Y385 F386 R390Q269-Y273 WeakPolarHBondContact O-CB 3.49Å; Q269-Y273 PolarHBondContact O-N 3.23Å; V270-Y273 WeakPolarHBondContact O-CB 3.4Å; V270-Y273 PolarHBondContact O-N 3.26Å; L271-Y273 VanDerWaalsContact C-N 3.32Å; L271-Y273 PolarHBondContact O-N 2.93Å; Y273-L275 VanDerWaalsContact C-N 3.25Å; Y273-L275 PolarHBondContact O-N 3.11Å; Y273-N297 WeakPolarHBondContact CA-ND2 3.5Å; Y273-N297 PolarHBondContact O-ND2 3.48Å; Y273-F381 AromaticContact CD1-CD2 3.3Å; Y273-F381 HydrophobicContact CD1-CD2 3.3Å; Y273-F381 AromaticContact CD1-CE2 3.54Å; Y273-F381 HydrophobicContact CD1-CE2 3.54Å; Y273-F381 HydrophobicContact CE1-CB 4.49Å; Y273-F381 AromaticContact CE1-CD2 3.38Å; Y273-F381 HydrophobicContact CE1-CD2 3.38Å; Y273-F381 AromaticContact CE1-CE2 3.95Å; Y273-F381 HydrophobicContact CE1-CE2 3.95Å; Y273-F381 HydrophobicContact CE1-CG 4.29Å; Y273-F381 HydrophobicContact CG-CD2 4.19Å; Y273-F381 AromaticContact CG-CE2 3.97Å; Y273-F381 HydrophobicContact CG-CE2 3.97Å; Y273-Y385 AromaticContact CE2-CD1 3.88Å; Y273-Y385 HydrophobicContact CE2-CD1 3.88Å; Y273-Y385 AromaticContact CE2-CE1 3.92Å; Y273-Y385 HydrophobicContact CE2-CE1 3.92Å; Y273-F386 AromaticContact CD2-CD2 3.83Å; Y273-F386 HydrophobicContact CD2-CD2 3.83Å; Y273-F386 AromaticContact CG-CD2 3.85Å; Y273-F386 HydrophobicContact CG-CD2 3.85Å; Y273-F386 HydrophobicContact CG-CE2 4.43Å; Y273-R390 HydrophobicContact CD2-CG 4.45Å
274L90.9Very high91.5Very high88 Ų8858.8 Ų58.846%0.46132%0.316SS..Hα-helixtrans-74.5-14.2-178.8-67.6175.5000113.5V270 L271 F272 F381V270-L274 HydrophobicContact CG1-CD1 3.97Å; V270-L274 HydrophobicContact CG1-CG 4.37Å; V270-L274 WeakPolarHBondContact O-CG 3.16Å; V270-L274 PolarHBondContact O-N 2.98Å; L271-L274 PolarHBondContact O-N 3.44Å; F272-L274 VanDerWaalsContact C-N 3.33Å; F272-L274 PolarHBondContact O-N 2.95Å; L274-F381 HydrophobicContact CD2-CD2 4.26Å
275L90.6Very high91Very high56 Ų5657.8 Ų57.829%0.29332%0.315SS..SBendtrans-55.8136.7177.5-68.2175000111.1L271 F272 Y273 I277 R295 L304L271-L275 PolarHBondContact O-N 3.29Å; F272-L275 HydrophobicContact CD1-CD1 4.31Å; F272-L275 WeakPolarHBondContact O-CB 3.25Å; F272-L275 PolarHBondContact O-N 3.34Å; Y273-L275 VanDerWaalsContact C-N 3.25Å; Y273-L275 PolarHBondContact O-N 3.11Å; L275-I277 HydrophobicContact CB-CD1 4.2Å; L275-I277 HydrophobicContact CB-CG1 4.26Å; L275-I277 HydrophobicContact CD1-CD1 4.31Å; L275-I277 PolarHBondContact O-N 2.94Å; L275-R295 PolarHBondContact O-NH1 3.38Å; L275-L304 HydrophobicContact CD1-CD2 3.89Å
276P86Confident90.4Very high109 Ų10956.8 Ų56.871%0.70831%0.313SS*.SBendtrans-7845.2-179.434.9-37.1000112.8
277I87.9Confident89.6Confident76 Ų7662.2 Ų62.239%0.3934%0.342SS..  trans-115.9140.3-176.1-56.7173.8000108.3L275 R295 N297 Y300L275-I277 HydrophobicContact CB-CD1 4.2Å; L275-I277 HydrophobicContact CB-CG1 4.26Å; L275-I277 HydrophobicContact CD1-CD1 4.31Å; L275-I277 PolarHBondContact O-N 2.94Å; I277-R295 WeakPolarHBondContact O-CD 3.29Å; I277-R295 WeakPolarHBondContact O-CG 3.39Å; I277-N297 VanDerWaalsContact O-CB 3.28Å; I277-N297 WeakPolarHBondContact O-CB 3.32Å; I277-Y300 HydrophobicContact CG2-CD1 4.24Å; I277-Y300 HydrophobicContact CG2-CD2 3.79Å; I277-Y300 HydrophobicContact CG2-CE1 4.48Å; I277-Y300 HydrophobicContact CG2-CE2 4.05Å; I277-Y300 HydrophobicContact CG2-CG 3.89Å
278G87.2Confident88.7Confident33 Ų3360.1 Ų60.134%0.3433%0.332SS..SBendtrans103.3164.317400000115.1L296G278-L296 VanDerWaalsContact CA-O 3.31Å; G278-L296 WeakPolarHBondContact CA-O 3.2Å
279K90.7Very high87.9Confident128 Ų12860.2 Ų60.256%0.55735%0.345SS*.EExtended strand (participates in β ladder)trans-74.8138.8-176.3-178.8-171.6170.6-1540110V281 L296 E439K279-V281 HydrophobicContact CD-CG2 3.83Å; K279-V281 HydrophobicContact CG-CG2 3.99Å; K279-L296 PolarHBondContact O-N 3.46Å; K279-E439 IonicContact NZ-OE2 2.68Å; K279-E439 PolarHBondContact NZ-OE2 2.88Å
280V92.2Very high87.5Confident75 Ų7565.9 Ų65.946%0.45537%0.367SS..EExtended strand (participates in β ladder)trans-92126.2170.2-1780000109.1K293 Y294 R295V280-K293 HydrophobicContact CG1-CB 3.91Å; V280-K293 HydrophobicContact CG1-CD 4.41Å; V280-K293 HydrophobicContact CG1-CG 4.42Å; V280-Y294 CarbonylContact C-O 3.47Å; V280-Y294 VanDerWaalsContact CA-O 3.32Å; V280-Y294 WeakPolarHBondContact CA-O 3.33Å; V280-R295 HydrophobicContact CG2-CB 4.44Å
281V90.3Very high87.2Confident16 Ų1671.2 Ų71.210%0.09738%0.384CS..EExtended strand (participates in β ladder)trans-122.2146.9179.4-179.50000110K279 Y294 L296 E439 L442K279-V281 HydrophobicContact CD-CG2 3.83Å; K279-V281 HydrophobicContact CG-CG2 3.99Å; V281-Y294 PolarHBondContact N-O 3.5Å; V281-Y294 PolarHBondContact O-N 3.2Å; V281-L296 HydrophobicContact CB-CD1 4.16Å; V281-L296 HydrophobicContact CB-CG 4.34Å; V281-L296 HydrophobicContact CG2-CD1 3.49Å; V281-L296 VanDerWaalsContact CG2-CD1 3.49Å; V281-L296 HydrophobicContact CG2-CG 3.97Å; V281-E439 HydrophobicContact CG1-CG 4.04Å; V281-L442 HydrophobicContact CG1-CD1 4.36Å
282E89.7Confident87Confident102 Ų10268 Ų6848%0.47737%0.367SS..EExtended strand (participates in β ladder)trans-84.4130.8173.6-62.6-172.7165.100110.4R291E282-R291 HydrophobicContact CB-CB 4.39Å; E282-R291 VanDerWaalsContact OE2-CD 3.31Å; E282-R291 WeakPolarHBondContact OE2-CD 3.16Å; E282-R291 IonicContact OE2-NH1 2.77Å; E282-R291 PolarHBondContact OE2-NH1 3.18Å
283G87.3Confident86.9Confident8 Ų873.8 Ų73.88%0.08239%0.392CS..EExtended strand (participates in β ladder)trans-72.3-173.5171.500000112.8L292G283-L292 PolarHBondContact N-O 2.84Å
284T84.9Confident86.9Confident42 Ų4273.5 Ų73.526%0.25839%0.391SS..EExtended strand (participates in β ladder)trans-67.4151.6176.653.40000111.6L286 T443 I448T284-L286 PolarHBondContact O-N 3.44Å; T284-T443 HydrophobicContact CG2-CG2 4.47Å; T284-I448 HydrophobicContact CG2-CD1 3.79Å; T284-I448 HydrophobicContact CG2-CG1 4.16Å
285P84.3Confident86.9Confident76 Ų7673.5 Ų73.549%0.49438%0.384SS..EExtended strand (participates in β ladder)trans-66.3128.5176.627.5-33.4000110.3R291P285-R291 HydrophobicContact CB-CG 4.39Å
286L82.9Confident87Confident31 Ų3171.9 Ų71.916%0.16238%0.376CS..  trans-69.9174170.8-82.271.1000110.2T284 D288 G289 R290 L292T284-L286 PolarHBondContact O-N 3.44Å; L286-D288 PolarHBondContact O-N 3.17Å; L286-G289 WeakPolarHBondContact O-CA 3.2Å; L286-G289 PolarHBondContact O-N 3.24Å; L286-R290 PolarHBondContact N-O 3.37Å; L286-L292 HydrophobicContact CD1-CD1 3.92Å; L286-L292 HydrophobicContact CD1-CG 3.86Å; L286-L292 HydrophobicContact CD2-CD1 4.3Å
287I76.7Confident87.3Confident142 Ų14266.8 Ų66.873%0.72834%0.343SS*.THydrogen-bonded Turntrans-55.1-37.5176.6-58172.3000111G289 P358I287-G289 PolarHBondContact O-N 3.33Å; I287-P358 HydrophobicContact CD1-CG 4.45Å
288D76.1Confident87.5Confident65 Ų6563.2 Ų63.235%0.34833%0.325SS..THydrogen-bonded Turntrans-73.2-3.7176.1-65.8-11.4000114.3L286 R290 N354L286-D288 PolarHBondContact O-N 3.17Å; D288-R290 HydrophobicContact CB-CG 4.17Å; D288-R290 PolarHBondContact O-N 2.87Å; D288-R290 IonicContact OD2-CZ 2.84Å; D288-R290 IonicContact OD2-NE 3.22Å; D288-R290 PolarHBondContact OD2-NE 3.41Å; D288-R290 IonicContact OD2-NH2 2.93Å; D288-R290 PolarHBondContact OD2-NH2 3.43Å; D288-N354 PolarHBondContact OD1-ND2 3.2Å; D288-N354 VanDerWaalsContact OD2-CB 3.26Å; D288-N354 WeakPolarHBondContact OD2-CB 3.42Å; D288-N354 PolarHBondContact OD2-ND2 2.89Å
289G79.6Confident87.7Confident53 Ų5364.3 Ų64.355%0.54632%0.32SS..SBendtrans76.6-6.1-171.800000114.8L286 I287L286-G289 WeakPolarHBondContact O-CA 3.2Å; L286-G289 PolarHBondContact O-N 3.24Å; I287-G289 PolarHBondContact O-N 3.33Å
290R86.1Confident87.9Confident120 Ų12064.4 Ų64.445%0.45332%0.318SS..  trans-61.8144.2172.4-66.4-174.7-74.2153.65.6110.3L286 D288 D355L286-R290 PolarHBondContact N-O 3.37Å; D288-R290 HydrophobicContact CB-CG 4.17Å; D288-R290 PolarHBondContact O-N 2.87Å; D288-R290 IonicContact OD2-CZ 2.84Å; D288-R290 IonicContact OD2-NE 3.22Å; D288-R290 PolarHBondContact OD2-NE 3.41Å; D288-R290 IonicContact OD2-NH2 2.93Å; D288-R290 PolarHBondContact OD2-NH2 3.43Å; R290-D355 IonicContact CZ-OD1 3.31Å; R290-D355 IonicContact NH2-OD1 2.77Å; R290-D355 PolarHBondContact NH2-OD1 3.03Å
291R88.5Confident88Confident140 Ų14061 Ų6153%0.52830%0.298SS..EExtended strand (participates in β ladder)trans-116.4124.3173.3-69.1-175.7179.2-161.9-2.8110.2E282 P285E282-R291 HydrophobicContact CB-CB 4.39Å; E282-R291 VanDerWaalsContact OE2-CD 3.31Å; E282-R291 WeakPolarHBondContact OE2-CD 3.16Å; E282-R291 IonicContact OE2-NH1 2.77Å; E282-R291 PolarHBondContact OE2-NH1 3.18Å; P285-R291 HydrophobicContact CB-CG 4.39Å
292L89.8Confident88.2Confident38 Ų3861.3 Ų61.320%0.19930%0.298CS..EExtended strand (participates in β ladder)trans-79.4140.9177.3-65.5174.2000110.2G283 L286 Y294 N375G283-L292 PolarHBondContact N-O 2.84Å; L286-L292 HydrophobicContact CD1-CD1 3.92Å; L286-L292 HydrophobicContact CD1-CG 3.86Å; L286-L292 HydrophobicContact CD2-CD1 4.3Å; L292-Y294 HydrophobicContact CB-CD2 4.48Å; L292-Y294 HydrophobicContact CB-CE2 3.67Å; L292-Y294 WeakPolarHBondContact O-CD2 3.46Å; L292-N375 HydrophobicContact CD1-CB 3.97Å
293K91.6Very high88.5Confident140 Ų14060.4 Ų60.461%0.60930%0.295SS*.EExtended strand (participates in β ladder)trans-93.6135.9176.1-64.9-177.6-177.9179.70109.5V280 R377V280-K293 HydrophobicContact CG1-CB 3.91Å; V280-K293 HydrophobicContact CG1-CD 4.41Å; V280-K293 HydrophobicContact CG1-CG 4.42Å; K293-R377 PolarHBondContact O-NH1 2.9Å; K293-R377 VanDerWaalsContact O-NH1 3.11Å
294Y91.5Very high88.9Confident5 Ų563.1 Ų63.12%0.0231%0.307CS..EExtended strand (participates in β ladder)trans-125.9134179.1-64.3-93000109.2V280 V281 L292 R377 D382 Y385 L442V280-Y294 CarbonylContact C-O 3.47Å; V280-Y294 VanDerWaalsContact CA-O 3.32Å; V280-Y294 WeakPolarHBondContact CA-O 3.33Å; V281-Y294 PolarHBondContact N-O 3.5Å; V281-Y294 PolarHBondContact O-N 3.2Å; L292-Y294 HydrophobicContact CB-CD2 4.48Å; L292-Y294 HydrophobicContact CB-CE2 3.67Å; L292-Y294 WeakPolarHBondContact O-CD2 3.46Å; Y294-R377 PolarHBondContact OH-NH2 2.76Å; Y294-D382 HydrophobicContact CE1-CB 4.12Å; Y294-D382 VanDerWaalsContact CE1-OD2 3.31Å; Y294-D382 WeakPolarHBondContact CE1-OD2 3.16Å; Y294-D382 PolarHBondContact OH-OD2 3.5Å; Y294-Y385 AromaticContact CD1-CD1 3.85Å; Y294-Y385 HydrophobicContact CD1-CD1 3.85Å; Y294-Y385 HydrophobicContact CD1-CD2 4.25Å; Y294-Y385 HydrophobicContact CD1-CE1 4.2Å; Y294-Y385 AromaticContact CD1-CG 3.83Å; Y294-Y385 HydrophobicContact CD1-CG 3.83Å; Y294-Y385 HydrophobicContact CE1-CD1 4.45Å; Y294-Y385 HydrophobicContact CE1-CD2 4.49Å; Y294-Y385 HydrophobicContact CE1-CG 4.06Å; Y294-L442 HydrophobicContact CD1-CD2 3.74Å; Y294-L442 HydrophobicContact CD2-CD1 4.02Å; Y294-L442 HydrophobicContact CD2-CD2 3.72Å; Y294-L442 HydrophobicContact CE1-CD2 3.98Å; Y294-L442 HydrophobicContact CE2-CD2 3.99Å; Y294-L442 HydrophobicContact CG-CD1 4.19Å; Y294-L442 HydrophobicContact CG-CD2 3.6Å
295R91.6Very high89.4Confident88 Ų8861.3 Ų61.333%0.33230%0.297SS..EExtended strand (participates in β ladder)trans-93.8119.5173.2-178.1175.3-71.8156.1-1.3108.7L275 I277 V280 N297L275-R295 PolarHBondContact O-NH1 3.38Å; I277-R295 WeakPolarHBondContact O-CD 3.29Å; I277-R295 WeakPolarHBondContact O-CG 3.39Å; V280-R295 HydrophobicContact CG2-CB 4.44Å; R295-N297 PolarHBondContact O-N 2.96Å
296L91.6Very high89.9Confident22 Ų2260.2 Ų60.212%0.11529%0.291CS..EExtended strand (participates in β ladder)trans-87.498.9-179.8-51.7-171.1000109.1G278 K279 V281 Y385 E438 E439 L442G278-L296 VanDerWaalsContact CA-O 3.31Å; G278-L296 WeakPolarHBondContact CA-O 3.2Å; K279-L296 PolarHBondContact O-N 3.46Å; V281-L296 HydrophobicContact CB-CD1 4.16Å; V281-L296 HydrophobicContact CB-CG 4.34Å; V281-L296 HydrophobicContact CG2-CD1 3.49Å; V281-L296 VanDerWaalsContact CG2-CD1 3.49Å; V281-L296 HydrophobicContact CG2-CG 3.97Å; L296-Y385 WeakPolarHBondContact CD2-OH 3.44Å; L296-E438 VanDerWaalsContact CA-OE2 3.28Å; L296-E438 WeakPolarHBondContact CA-OE2 3.41Å; L296-E438 WeakPolarHBondContact CB-OE2 3.38Å; L296-E438 HydrophobicContact CD2-CG 4.01Å; L296-E439 HydrophobicContact CD1-CB 3.91Å; L296-E439 HydrophobicContact CD1-CG 4.49Å; L296-L442 HydrophobicContact CD2-CD1 4.42Å
297N93Very high90.4Very high3 Ų361.5 Ų61.52%0.01631%0.305CS..  trans-131.315.8-179.867.5-1.3000113.9F272 Y273 I277 R295 F299 Y300 A301 R390 E438F272-N297 PolarHBondContact O-ND2 3.36Å; Y273-N297 WeakPolarHBondContact CA-ND2 3.5Å; Y273-N297 PolarHBondContact O-ND2 3.48Å; I277-N297 VanDerWaalsContact O-CB 3.28Å; I277-N297 WeakPolarHBondContact O-CB 3.32Å; R295-N297 PolarHBondContact O-N 2.96Å; N297-F299 PolarHBondContact O-N 3.1Å; N297-Y300 PolarHBondContact O-N 3.48Å; N297-A301 WeakPolarHBondContact O-CB 3.47Å; N297-A301 PolarHBondContact O-N 2.76Å; N297-R390 PolarHBondContact OD1-NH2 3.45Å; N297-E438 PolarHBondContact N-OE2 3.41Å
298G91.5Very high91.3Very high0 Ų057.8 Ų57.80%029%0.289CS..Hα-helixtrans-63.4-44.9-173.500000113.8Y300 A301 F302 R390 E438G298-Y300 VanDerWaalsContact C-N 3.33Å; G298-Y300 PolarHBondContact O-N 3.31Å; G298-A301 PolarHBondContact O-N 3.37Å; G298-F302 WeakPolarHBondContact O-CB 3.32Å; G298-F302 PolarHBondContact O-N 2.62Å; G298-R390 VanDerWaalsContact CA-NH2 3.33Å; G298-R390 VanDerWaalsContact N-CZ 3.35Å; G298-E438 PolarHBondContact N-OE2 3.4Å
299F93Very high92.1Very high57 Ų5755.6 Ų55.625%0.2528%0.278CS..Hα-helixtrans-63.8-38.5178.2-168-106.3000112.5N297 F302 I303 V432 W436N297-F299 PolarHBondContact O-N 3.1Å; F299-F302 PolarHBondContact O-N 2.69Å; F299-I303 HydrophobicContact CD1-CD1 3.75Å; F299-I303 HydrophobicContact CE1-CD1 3.46Å; F299-I303 VanDerWaalsContact CE1-CD1 3.46Å; F299-I303 HydrophobicContact CE1-CG1 4.25Å; F299-I303 HydrophobicContact CZ-CD1 4.15Å; F299-I303 WeakPolarHBondContact O-CG1 3.45Å; F299-I303 PolarHBondContact O-N 3.1Å; F299-V432 HydrophobicContact CE2-CG1 4.18Å; F299-W436 HydrophobicContact CD1-CE3 4.18Å; F299-W436 HydrophobicContact CD1-CZ3 4.06Å; F299-W436 AromaticContact CD2-CE3 3.92Å; F299-W436 HydrophobicContact CD2-CE3 3.92Å; F299-W436 HydrophobicContact CE1-CE3 4.02Å; F299-W436 AromaticContact CE1-CZ3 3.64Å; F299-W436 HydrophobicContact CE1-CZ3 3.64Å; F299-W436 AromaticContact CE2-CE3 3.77Å; F299-W436 HydrophobicContact CE2-CE3 3.77Å; F299-W436 HydrophobicContact CE2-CZ3 4.17Å; F299-W436 HydrophobicContact CG-CE3 4.12Å; F299-W436 HydrophobicContact CG-CZ3 4.47Å; F299-W436 AromaticContact CZ-CE3 3.82Å; F299-W436 HydrophobicContact CZ-CE3 3.82Å; F299-W436 AromaticContact CZ-CZ3 3.72Å; F299-W436 HydrophobicContact CZ-CZ3 3.72Å
300Y93.6Very high92.7Very high130 Ų13054.9 Ų54.951%0.5127%0.27SS..Hα-helixtrans-67.7-42.1175.5-62.9-70.5000112.1I277 N297 G298 F302 I303 L304I277-Y300 HydrophobicContact CG2-CD1 4.24Å; I277-Y300 HydrophobicContact CG2-CD2 3.79Å; I277-Y300 HydrophobicContact CG2-CE1 4.48Å; I277-Y300 HydrophobicContact CG2-CE2 4.05Å; I277-Y300 HydrophobicContact CG2-CG 3.89Å; N297-Y300 PolarHBondContact O-N 3.48Å; G298-Y300 VanDerWaalsContact C-N 3.33Å; G298-Y300 PolarHBondContact O-N 3.31Å; Y300-F302 VanDerWaalsContact C-N 3.25Å; Y300-F302 PolarHBondContact O-N 3.16Å; Y300-I303 PolarHBondContact O-N 3.19Å; Y300-L304 WeakPolarHBondContact O-CB 3.31Å; Y300-L304 PolarHBondContact O-N 3.12Å
301A94.3Very high93.1Very high3 Ų351.5 Ų51.53%0.02527%0.268CS..Hα-helixtrans-60.6-37.6174.800000111.5F272 N297 G298 L304 T305 I394F272-A301 HydrophobicContact CB-CB 3.95Å; N297-A301 WeakPolarHBondContact O-CB 3.47Å; N297-A301 PolarHBondContact O-N 2.76Å; G298-A301 PolarHBondContact O-N 3.37Å; A301-L304 PolarHBondContact O-N 2.98Å; A301-T305 VanDerWaalsContact O-CB 3.3Å; A301-T305 WeakPolarHBondContact O-CB 3.37Å; A301-T305 PolarHBondContact O-N 3.45Å; A301-T305 PolarHBondContact O-OG1 2.84Å; A301-I394 HydrophobicContact CB-CD1 4.29Å
302F95.2Very high93.2Very high22 Ų2246.2 Ų46.210%0.09625%0.252CS..Hα-helixtrans-66.5-44174.8175.7-99.1000113.2G298 F299 Y300 L304 T305 S306 I394 V397 L428 V432 L435G298-F302 WeakPolarHBondContact O-CB 3.32Å; G298-F302 PolarHBondContact O-N 2.62Å; F299-F302 PolarHBondContact O-N 2.69Å; Y300-F302 VanDerWaalsContact C-N 3.25Å; Y300-F302 PolarHBondContact O-N 3.16Å; F302-L304 VanDerWaalsContact C-N 3.34Å; F302-L304 PolarHBondContact O-N 2.91Å; F302-T305 PolarHBondContact O-N 3.21Å; F302-S306 WeakPolarHBondContact O-CB 3.45Å; F302-S306 PolarHBondContact O-N 3.15Å; F302-S306 PolarHBondContact O-OG 3.36Å; F302-I394 HydrophobicContact CB-CD1 4.36Å; F302-I394 HydrophobicContact CD2-CG1 4.44Å; F302-I394 HydrophobicContact CD2-CG2 4.17Å; F302-V397 HydrophobicContact CE2-CB 4.32Å; F302-V397 HydrophobicContact CE2-CG1 4.01Å; F302-V397 HydrophobicContact CE2-CG2 4.34Å; F302-V397 HydrophobicContact CZ-CG1 4.43Å; F302-L428 HydrophobicContact CE2-CD1 4.41Å; F302-L428 HydrophobicContact CZ-CD1 3.77Å; F302-V432 HydrophobicContact CE1-CG2 3.94Å; F302-V432 HydrophobicContact CZ-CG2 4.11Å; F302-L435 HydrophobicContact CB-CD1 3.59Å; F302-L435 HydrophobicContact CD2-CD1 3.9Å; F302-L435 HydrophobicContact CG-CD1 3.76Å
303I95.1Very high93.2Very high83 Ų8347.8 Ų47.843%0.42626%0.26SS..Hα-helixtrans-60.9-46.1174.5-69.2167000110.3F299 Y300 T305 S306 A307F299-I303 HydrophobicContact CD1-CD1 3.75Å; F299-I303 HydrophobicContact CE1-CD1 3.46Å; F299-I303 VanDerWaalsContact CE1-CD1 3.46Å; F299-I303 HydrophobicContact CE1-CG1 4.25Å; F299-I303 HydrophobicContact CZ-CD1 4.15Å; F299-I303 WeakPolarHBondContact O-CG1 3.45Å; F299-I303 PolarHBondContact O-N 3.1Å; Y300-I303 PolarHBondContact O-N 3.19Å; I303-T305 PolarHBondContact O-N 2.57Å; I303-S306 PolarHBondContact O-N 3.03Å; I303-A307 WeakPolarHBondContact O-CB 3.48Å; I303-A307 PolarHBondContact O-N 3.43Å
304L95.4Very high93.2Very high65 Ų6550.2 Ų50.234%0.3427%0.271SS..Hα-helixtrans-65.7-40.5-178.9-17258.2000111.6F272 L275 Y300 A301 F302 A307 V308F272-L304 HydrophobicContact CD1-CD2 3.33Å; F272-L304 HydrophobicContact CD1-CG 4.17Å; F272-L304 HydrophobicContact CD2-CB 4.37Å; F272-L304 HydrophobicContact CD2-CD2 4.16Å; F272-L304 HydrophobicContact CD2-CG 4.31Å; F272-L304 HydrophobicContact CE1-CD2 3.21Å; F272-L304 HydrophobicContact CE1-CG 3.69Å; F272-L304 HydrophobicContact CE2-CB 4.13Å; F272-L304 HydrophobicContact CE2-CD2 4.05Å; F272-L304 HydrophobicContact CE2-CG 3.83Å; F272-L304 HydrophobicContact CG-CD2 3.83Å; F272-L304 HydrophobicContact CG-CG 4.47Å; F272-L304 HydrophobicContact CZ-CB 4.31Å; F272-L304 HydrophobicContact CZ-CD2 3.6Å; F272-L304 HydrophobicContact CZ-CG 3.5Å; F272-L304 VanDerWaalsContact CZ-CG 3.5Å; L275-L304 HydrophobicContact CD1-CD2 3.89Å; Y300-L304 WeakPolarHBondContact O-CB 3.31Å; Y300-L304 PolarHBondContact O-N 3.12Å; A301-L304 PolarHBondContact O-N 2.98Å; F302-L304 VanDerWaalsContact C-N 3.34Å; F302-L304 PolarHBondContact O-N 2.91Å; L304-A307 PolarHBondContact O-N 3.24Å; L304-V308 WeakPolarHBondContact O-CG2 3.26Å; L304-V308 PolarHBondContact O-N 2.91Å
305T95.4Very high93.2Very high5 Ų557.3 Ų57.33%0.03131%0.305CS..Hα-helixtrans-62-46.2173.4-580000111.2W265 Q269 F272 A301 F302 I303 A307 V308 I309 I394 V398W265-T305 HydrophobicContact CH2-CG2 3.78Å; W265-T305 HydrophobicContact CZ3-CG2 3.71Å; Q269-T305 PolarHBondContact NE2-OG1 2.73Å; F272-T305 WeakPolarHBondContact CE2-OG1 3.31Å; A301-T305 VanDerWaalsContact O-CB 3.3Å; A301-T305 WeakPolarHBondContact O-CB 3.37Å; A301-T305 PolarHBondContact O-N 3.45Å; A301-T305 PolarHBondContact O-OG1 2.84Å; F302-T305 PolarHBondContact O-N 3.21Å; I303-T305 PolarHBondContact O-N 2.57Å; T305-A307 VanDerWaalsContact C-N 3.29Å; T305-A307 PolarHBondContact O-N 3.28Å; T305-V308 PolarHBondContact O-N 3.01Å; T305-I309 HydrophobicContact CG2-CD1 3.83Å; T305-I309 WeakPolarHBondContact O-CG1 3.04Å; T305-I309 PolarHBondContact O-N 3.33Å; T305-I394 HydrophobicContact CG2-CG2 3.8Å; T305-V398 HydrophobicContact CG2-CG2 4.26Å
306S94.6Very high92.8Very high53 Ų5355.9 Ų55.937%0.37132%0.317SS..Hα-helixtrans-59.8-39.7175.8-61.30000111.9F302 I303 I309 G310F302-S306 WeakPolarHBondContact O-CB 3.45Å; F302-S306 PolarHBondContact O-N 3.15Å; F302-S306 PolarHBondContact O-OG 3.36Å; I303-S306 PolarHBondContact O-N 3.03Å; S306-I309 PolarHBondContact O-N 3.17Å; S306-G310 PolarHBondContact O-N 3.24Å
307A95.3Very high92.6Very high57 Ų5758.3 Ų58.347%0.47133%0.332SS..Hα-helixtrans-66.3-42.4176.300000112.2I303 L304 T305 G310 A311I303-A307 WeakPolarHBondContact O-CB 3.48Å; I303-A307 PolarHBondContact O-N 3.43Å; L304-A307 PolarHBondContact O-N 3.24Å; T305-A307 VanDerWaalsContact C-N 3.29Å; T305-A307 PolarHBondContact O-N 3.28Å; A307-G310 PolarHBondContact O-N 3.46Å; A307-A311 WeakPolarHBondContact O-CB 3.12Å; A307-A311 PolarHBondContact O-N 2.63Å
308V94.3Very high92.1Very high64 Ų6464.6 Ų64.639%0.38836%0.362SS..Hα-helixtrans-62.7-43.3175.9169.30000111F272 L304 T305 A311 S312F272-V308 HydrophobicContact CZ-CG2 4.24Å; L304-V308 WeakPolarHBondContact O-CG2 3.26Å; L304-V308 PolarHBondContact O-N 2.91Å; T305-V308 PolarHBondContact O-N 3.01Å; V308-A311 PolarHBondContact O-N 2.68Å; V308-S312 WeakPolarHBondContact O-CB 3.33Å; V308-S312 PolarHBondContact O-N 3.3Å; V308-S312 PolarHBondContact O-OG 3Å
309I93.5Very high91.9Very high20 Ų2066.1 Ų66.110%0.10337%0.369CS..Hα-helixtrans-67-44.7177.6-67.5167.5000110.7T305 S306 A311 S312 L313 F319 V398 L401T305-I309 HydrophobicContact CG2-CD1 3.83Å; T305-I309 WeakPolarHBondContact O-CG1 3.04Å; T305-I309 PolarHBondContact O-N 3.33Å; S306-I309 PolarHBondContact O-N 3.17Å; I309-A311 VanDerWaalsContact C-N 3.34Å; I309-A311 PolarHBondContact O-N 3.09Å; I309-S312 WeakPolarHBondContact O-CB 3.31Å; I309-S312 PolarHBondContact O-N 3.14Å; I309-S312 VanDerWaalsContact O-N 3.15Å; I309-L313 HydrophobicContact CG2-CD1 4.17Å; I309-L313 HydrophobicContact CG2-CG 4.49Å; I309-L313 WeakPolarHBondContact O-CG 3.34Å; I309-L313 PolarHBondContact O-N 3.1Å; I309-F319 HydrophobicContact CG2-CE1 4.32Å; I309-F319 HydrophobicContact CG2-CZ 3.98Å; I309-V398 HydrophobicContact CD1-CB 4.12Å; I309-V398 HydrophobicContact CD1-CG1 3.76Å; I309-V398 HydrophobicContact CD1-CG2 3.29Å; I309-L401 HydrophobicContact CG2-CD2 3.85Å
310G92.3Very high91.6Very high37 Ų3766 Ų6638%0.38137%0.369SS..Hα-helixtrans-59.9-42.1176.200000112.8S306 A307 L313 F314S306-G310 PolarHBondContact O-N 3.24Å; A307-G310 PolarHBondContact O-N 3.46Å; G310-L313 PolarHBondContact O-N 3.04Å; G310-F314 PolarHBondContact O-N 2.82Å
311A93.6Very high91.3Very high50 Ų5063.7 Ų63.741%0.41336%0.36SS..Hα-helixtrans-64.8-39.9173.900000112A307 V308 I309 F314 Q315A307-A311 WeakPolarHBondContact O-CB 3.12Å; A307-A311 PolarHBondContact O-N 2.63Å; V308-A311 PolarHBondContact O-N 2.68Å; I309-A311 VanDerWaalsContact C-N 3.34Å; I309-A311 PolarHBondContact O-N 3.09Å; A311-F314 PolarHBondContact O-N 3.49Å; A311-Q315 WeakPolarHBondContact O-CG 3.28Å; A311-Q315 PolarHBondContact O-N 3.47Å
312S92Very high91.1Very high29 Ų2965.1 Ų65.120%0.20337%0.368CS..Hα-helixtrans-65.1-39.4176.6-57.30000111.7V308 I309 Q315 G316 V317V308-S312 WeakPolarHBondContact O-CB 3.33Å; V308-S312 PolarHBondContact O-N 3.3Å; V308-S312 PolarHBondContact O-OG 3Å; I309-S312 WeakPolarHBondContact O-CB 3.31Å; I309-S312 PolarHBondContact O-N 3.14Å; I309-S312 VanDerWaalsContact O-N 3.15Å; S312-Q315 PolarHBondContact O-N 2.91Å; S312-G316 PolarHBondContact O-N 2.89Å; S312-V317 WeakPolarHBondContact O-CB 3.49Å; S312-V317 WeakPolarHBondContact O-CG2 3.31Å; S312-V317 PolarHBondContact O-N 3.5Å
313L89.9Confident91Very high70 Ų7065.6 Ų65.637%0.36637%0.369SS..Hα-helixtrans-63.5-42173-74.2169.7000111.5I309 G310 Q315 G316 F319 L405I309-L313 HydrophobicContact CG2-CD1 4.17Å; I309-L313 HydrophobicContact CG2-CG 4.49Å; I309-L313 WeakPolarHBondContact O-CG 3.34Å; I309-L313 PolarHBondContact O-N 3.1Å; G310-L313 PolarHBondContact O-N 3.04Å; L313-Q315 VanDerWaalsContact C-N 3.28Å; L313-Q315 PolarHBondContact O-N 3.39Å; L313-G316 PolarHBondContact O-N 3.29Å; L313-F319 HydrophobicContact CB-CE2 4.48Å; L313-F319 HydrophobicContact CD2-CD2 3.31Å; L313-F319 HydrophobicContact CD2-CE2 3.38Å; L313-F319 HydrophobicContact CD2-CG 4.44Å; L313-F319 HydrophobicContact CG-CD2 4.01Å; L313-F319 HydrophobicContact CG-CE2 3.54Å; L313-F319 HydrophobicContact CG-CZ 4.41Å; L313-L405 HydrophobicContact CD2-CD1 3.77Å
314F90.3Very high90.7Very high191 Ų19164.2 Ų64.284%0.83837%0.367SS*.Hα-helixtrans-64.3-32.9176.3-173.4-95.4000112.7G310 A311 G316G310-F314 PolarHBondContact O-N 2.82Å; A311-F314 PolarHBondContact O-N 3.49Å; F314-G316 PolarHBondContact O-N 3.4Å
315Q91.3Very high90.6Very high155 Ų15563 Ų6372%0.72436%0.359SS*.THydrogen-bonded Turntrans-76.7-1.9173.5-70.7177.6-1.600113.7A311 S312 L313A311-Q315 WeakPolarHBondContact O-CG 3.28Å; A311-Q315 PolarHBondContact O-N 3.47Å; S312-Q315 PolarHBondContact O-N 2.91Å; L313-Q315 VanDerWaalsContact C-N 3.28Å; L313-Q315 PolarHBondContact O-N 3.39Å
316G84.3Confident90.4Very high57 Ų5762.9 Ų62.959%0.58836%0.359SS*.THydrogen-bonded Turntrans78.622.6178.700000114.5S312 L313 F314 E318S312-G316 PolarHBondContact O-N 2.89Å; L313-G316 PolarHBondContact O-N 3.29Å; F314-G316 PolarHBondContact O-N 3.4Å; G316-E318 PolarHBondContact O-N 3.13Å
317V86Confident90.3Very high73 Ų7361.2 Ų61.244%0.44235%0.345SS..  trans-65.4124.6175.5177.70000110.1S312 F319S312-V317 WeakPolarHBondContact O-CB 3.49Å; S312-V317 WeakPolarHBondContact O-CG2 3.31Å; S312-V317 PolarHBondContact O-N 3.5Å; V317-F319 HydrophobicContact CB-CE2 4.27Å; V317-F319 HydrophobicContact CG1-CE2 4.37Å; V317-F319 VanDerWaalsContact O-CD2 3.24Å; V317-F319 WeakPolarHBondContact O-CD2 3.43Å; V317-F319 PolarHBondContact O-N 3.34Å
318E84.3Confident90.2Very high135 Ų13559.8 Ų59.863%0.63133%0.329SS*.  trans-79.1102179.4-68.4-151.3127.200112.4G316 H320 K409G316-E318 PolarHBondContact O-N 3.13Å; E318-H320 PolarHBondContact O-N 2.93Å; E318-K409 IonicContact OE1-NZ 2.73Å; E318-K409 PolarHBondContact OE1-NZ 3.12Å; E318-K409 IonicContact OE2-NZ 3.53Å
319F86.3Confident90.3Very high33 Ų3357.5 Ų57.515%0.14531%0.314CS..THydrogen-bonded Turntrans-72.5-12.5176.1-74.2-85.4000114.4I309 L313 V317 Y321 V322 V402 L405I309-F319 HydrophobicContact CG2-CE1 4.32Å; I309-F319 HydrophobicContact CG2-CZ 3.98Å; L313-F319 HydrophobicContact CB-CE2 4.48Å; L313-F319 HydrophobicContact CD2-CD2 3.31Å; L313-F319 HydrophobicContact CD2-CE2 3.38Å; L313-F319 HydrophobicContact CD2-CG 4.44Å; L313-F319 HydrophobicContact CG-CD2 4.01Å; L313-F319 HydrophobicContact CG-CE2 3.54Å; L313-F319 HydrophobicContact CG-CZ 4.41Å; V317-F319 HydrophobicContact CB-CE2 4.27Å; V317-F319 HydrophobicContact CG1-CE2 4.37Å; V317-F319 VanDerWaalsContact O-CD2 3.24Å; V317-F319 WeakPolarHBondContact O-CD2 3.43Å; V317-F319 PolarHBondContact O-N 3.34Å; F319-Y321 PolarHBondContact O-N 3.33Å; F319-V322 PolarHBondContact O-N 3.48Å; F319-V402 HydrophobicContact CB-CG2 4.13Å; F319-V402 HydrophobicContact CD1-CG2 4.17Å; F319-V402 WeakPolarHBondContact O-CG1 3.42Å; F319-L405 HydrophobicContact CB-CD1 4.29Å
320H86.4Confident90.3Very high55 Ų5556.6 Ų56.626%0.25531%0.309SS..Hα-helixtrans-57.2-23.5175.2-17578.8000112.9E318 V322 Y323 S324 K409E318-H320 PolarHBondContact O-N 2.93Å; H320-V322 PolarHBondContact O-N 2.91Å; H320-Y323 AromaticContact CE1-CD1 3.79Å; H320-Y323 PolarHBondContact O-N 3.46Å; H320-S324 PolarHBondContact O-N 3.48Å; H320-S324 PolarHBondContact O-OG 3.49Å; H320-K409 HydrophobicContact CB-CD 4.13Å
321Y88.4Confident90.4Very high80 Ų8056.8 Ų56.831%0.31430%0.301SS..Hα-helixtrans-55.8-36.3172.6-174.8-101.8000112.8E255 V258 F319 S324 H325E255-Y321 PolarHBondContact OE1-OH 3.24Å; V258-Y321 HydrophobicContact CG2-CE1 3.94Å; V258-Y321 WeakPolarHBondContact CG2-OH 3.4Å; F319-Y321 PolarHBondContact O-N 3.33Å; Y321-S324 VanDerWaalsContact CA-OG 3.31Å; Y321-S324 WeakPolarHBondContact CA-OG 3.48Å; Y321-S324 PolarHBondContact O-OG 2.86Å; Y321-H325 AromaticContact CD2-CE1 3.41Å; Y321-H325 VanDerWaalsContact CD2-CE1 3.41Å; Y321-H325 WeakPolarHBondContact CD2-CE1 3.17Å; Y321-H325 AromaticContact CD2-ND1 3.47Å; Y321-H325 WeakPolarHBondContact CD2-ND1 3.47Å; Y321-H325 AromaticContact CE2-CE1 3.13Å; Y321-H325 WeakPolarHBondContact CE2-CE1 3.1Å; Y321-H325 AromaticContact CE2-ND1 3.37Å; Y321-H325 WeakPolarHBondContact CE2-ND1 3.33Å; Y321-H325 AromaticContact CE2-NE2 3.77Å; Y321-H325 AromaticContact CG-ND1 3.94Å; Y321-H325 AromaticContact CZ-CE1 3.87Å; Y321-H325 AromaticContact CZ-ND1 3.75Å; Y321-H325 PolarHBondContact O-N 2.84Å; Y321-H325 PolarHBondContact O-ND1 3.24Å
322V90.3Very high90.5Very high33 Ų3354.5 Ų54.520%0.228%0.282CS..Hα-helixtrans-70.4-37.7180176.10000111.7F319 H320 F326 F329 V402F319-V322 PolarHBondContact O-N 3.48Å; H320-V322 PolarHBondContact O-N 2.91Å; V322-F326 WeakPolarHBondContact O-CA 3.07Å; V322-F326 PolarHBondContact O-N 2.92Å; V322-F326 VanDerWaalsContact O-N 3.17Å; V322-F329 HydrophobicContact CB-CE2 4.22Å; V322-F329 HydrophobicContact CG1-CD2 4.28Å; V322-F329 HydrophobicContact CG1-CE2 4.16Å; V322-F329 HydrophobicContact CG2-CE2 4.12Å; V322-F329 HydrophobicContact CG2-CZ 4.23Å; V322-V402 HydrophobicContact CB-CG1 3.81Å; V322-V402 HydrophobicContact CB-CG2 4.16Å; V322-V402 HydrophobicContact CG1-CG1 4.07Å; V322-V402 HydrophobicContact CG1-CG2 4.22Å
323Y91.7Very high90.7Very high33 Ų3353.1 Ų53.113%0.12927%0.273CS..Hα-helixtrans-67.3-46.6174.7172.1-103.5000112.2H320 H325 F326 M403 A406 I410 F473 V476 S477H320-Y323 AromaticContact CE1-CD1 3.79Å; H320-Y323 PolarHBondContact O-N 3.46Å; Y323-H325 VanDerWaalsContact C-N 3.27Å; Y323-H325 PolarHBondContact O-N 3.03Å; Y323-F326 VanDerWaalsContact O-CB 3.3Å; Y323-F326 WeakPolarHBondContact O-CB 3.42Å; Y323-F326 PolarHBondContact O-N 3.4Å; Y323-M403 HydrophobicContact CD2-CE 4.27Å; Y323-M403 HydrophobicContact CD2-SD 3.56Å; Y323-M403 VanDerWaalsContact CD2-SD 3.56Å; Y323-M403 HydrophobicContact CE2-SD 4.13Å; Y323-A406 HydrophobicContact CD1-CB 4.06Å; Y323-A406 HydrophobicContact CD2-CB 4.12Å; Y323-A406 HydrophobicContact CG-CB 3.71Å; Y323-I410 HydrophobicContact CD1-CD1 3.91Å; Y323-I410 HydrophobicContact CE1-CD1 3.3Å; Y323-F473 HydrophobicContact CD2-CD2 4.28Å; Y323-F473 HydrophobicContact CD2-CE2 4.17Å; Y323-F473 AromaticContact CE2-CD2 3.88Å; Y323-F473 HydrophobicContact CE2-CD2 3.88Å; Y323-F473 AromaticContact CE2-CE2 3.66Å; Y323-F473 HydrophobicContact CE2-CE2 3.66Å; Y323-V476 HydrophobicContact CD2-CG1 4.41Å; Y323-V476 HydrophobicContact CE1-CG1 4.17Å; Y323-V476 HydrophobicContact CE2-CB 4.04Å; Y323-V476 HydrophobicContact CE2-CG1 3.66Å; Y323-V476 HydrophobicContact CE2-CG2 4.23Å; Y323-V476 WeakPolarHBondContact OH-CG1 3.31Å; Y323-S477 PolarHBondContact OH-OG 3.35Å
324S89.9Confident91Very high53 Ų5350.4 Ų50.437%0.37126%0.259SS..Hα-helixtrans-61.7-35-178.743.90000112.9H320 Y321H320-S324 PolarHBondContact O-N 3.48Å; H320-S324 PolarHBondContact O-OG 3.49Å; Y321-S324 VanDerWaalsContact CA-OG 3.31Å; Y321-S324 WeakPolarHBondContact CA-OG 3.48Å; Y321-S324 PolarHBondContact O-OG 2.86Å
325H91.9Very high91.2Very high40 Ų4043.8 Ų43.819%0.18523%0.234CC..THydrogen-bonded Turntrans-10422.4-180-54.279.9000112.9E255 V258 Y321 Y323 L327 Q328 F329E255-H325 IonicContact OE2-CD2 3.32Å; E255-H325 PolarHBondContact OE2-CD2 3.42Å; E255-H325 VanDerWaalsContact OE2-CD2 3.32Å; E255-H325 IonicContact OE2-NE2 3.56Å; V258-H325 HydrophobicContact CG2-CB 3.88Å; Y321-H325 AromaticContact CD2-CE1 3.41Å; Y321-H325 VanDerWaalsContact CD2-CE1 3.41Å; Y321-H325 WeakPolarHBondContact CD2-CE1 3.17Å; Y321-H325 AromaticContact CD2-ND1 3.47Å; Y321-H325 WeakPolarHBondContact CD2-ND1 3.47Å; Y321-H325 AromaticContact CE2-CE1 3.13Å; Y321-H325 WeakPolarHBondContact CE2-CE1 3.1Å; Y321-H325 AromaticContact CE2-ND1 3.37Å; Y321-H325 WeakPolarHBondContact CE2-ND1 3.33Å; Y321-H325 AromaticContact CE2-NE2 3.77Å; Y321-H325 AromaticContact CG-ND1 3.94Å; Y321-H325 AromaticContact CZ-CE1 3.87Å; Y321-H325 AromaticContact CZ-ND1 3.75Å; Y321-H325 PolarHBondContact O-N 2.84Å; Y321-H325 PolarHBondContact O-ND1 3.24Å; Y323-H325 VanDerWaalsContact C-N 3.27Å; Y323-H325 PolarHBondContact O-N 3.03Å; H325-L327 VanDerWaalsContact C-N 3.3Å; H325-L327 PolarHBondContact O-N 2.82Å; H325-Q328 HydrophobicContact CB-CB 4.34Å; H325-Q328 HydrophobicContact CB-CG 4.45Å; H325-Q328 PolarHBondContact CD2-OE1 3.3Å; H325-Q328 WeakPolarHBondContact O-CA 3.32Å; H325-Q328 WeakPolarHBondContact O-CB 3.43Å; H325-Q328 PolarHBondContact O-N 3.33Å; H325-F329 HydrophobicContact CB-CD2 4.29Å; H325-F329 HydrophobicContact CB-CE2 4.29Å; H325-F329 WeakPolarHBondContact O-CD2 3.38Å; H325-F329 PolarHBondContact O-N 3.1Å
326F92.6Very high91.5Very high3 Ų337.8 Ų37.81%0.01321%0.206CC..Hα-helixtrans-56.1-40.1-173.3-168.7-119.7000113.7L230 V322 Y323 Q328 F329 A330 I399 M403 F466 F473L230-F326 HydrophobicContact CD1-CD1 4.46Å; L230-F326 HydrophobicContact CD1-CE1 4.28Å; L230-F326 HydrophobicContact CD2-CD1 4.3Å; L230-F326 HydrophobicContact CD2-CE1 3.74Å; V322-F326 WeakPolarHBondContact O-CA 3.07Å; V322-F326 PolarHBondContact O-N 2.92Å; V322-F326 VanDerWaalsContact O-N 3.17Å; Y323-F326 VanDerWaalsContact O-CB 3.3Å; Y323-F326 WeakPolarHBondContact O-CB 3.42Å; Y323-F326 PolarHBondContact O-N 3.4Å; F326-Q328 PolarHBondContact O-N 3.03Å; F326-F329 PolarHBondContact O-N 3.32Å; F326-A330 PolarHBondContact O-N 3.08Å; F326-I399 HydrophobicContact CE2-CD1 4.29Å; F326-I399 HydrophobicContact CE2-CG2 3.6Å; F326-I399 HydrophobicContact CZ-CG2 4.08Å; F326-M403 HydrophobicContact CD1-CE 4.14Å; F326-M403 HydrophobicContact CD2-CE 3.54Å; F326-M403 HydrophobicContact CE1-CE 4Å; F326-M403 HydrophobicContact CE2-CE 3.4Å; F326-M403 VanDerWaalsContact CE2-CE 3.4Å; F326-M403 HydrophobicContact CG-CE 3.92Å; F326-M403 HydrophobicContact CZ-CE 3.63Å; F326-F466 HydrophobicContact CD2-CD1 4.15Å; F326-F466 HydrophobicContact CD2-CE1 4.09Å; F326-F466 AromaticContact CE1-CD1 3.97Å; F326-F466 HydrophobicContact CE1-CD1 3.97Å; F326-F466 AromaticContact CE2-CD1 3.52Å; F326-F466 HydrophobicContact CE2-CD1 3.52Å; F326-F466 AromaticContact CE2-CE1 3.78Å; F326-F466 HydrophobicContact CE2-CE1 3.78Å; F326-F466 HydrophobicContact CZ-CB 4.32Å; F326-F466 AromaticContact CZ-CD1 3.44Å; F326-F466 HydrophobicContact CZ-CD1 3.44Å; F326-F466 VanDerWaalsContact CZ-CD1 3.44Å; F326-F466 HydrophobicContact CZ-CE1 4.17Å; F326-F466 HydrophobicContact CZ-CG 4.26Å; F326-F473 HydrophobicContact CB-CE2 4.42Å; F326-F473 AromaticContact CD1-CD2 3.78Å; F326-F473 HydrophobicContact CD1-CD2 3.78Å; F326-F473 AromaticContact CD1-CE2 3.63Å; F326-F473 HydrophobicContact CD1-CE2 3.63Å; F326-F473 HydrophobicContact CD1-CG 4.37Å; F326-F473 HydrophobicContact CD1-CZ 4.1Å; F326-F473 AromaticContact CE1-CD2 3.93Å; F326-F473 HydrophobicContact CE1-CD2 3.93Å; F326-F473 HydrophobicContact CE1-CE2 4.22Å; F326-F473 HydrophobicContact CE1-CG 4.14Å; F326-F473 HydrophobicContact CG-CD2 4.47Å; F326-F473 HydrophobicContact CG-CE2 4.26Å
327L92.4Very high92Very high17 Ų1735.1 Ų35.19%0.08918%0.178CC..Hα-helixtrans-64.8-37.9175.1-67.7172.7000112.4F227 L230 L231 K234 L253 H325 A330 L331F227-L327 HydrophobicContact CD1-CD2 4.28Å; L230-L327 HydrophobicContact CB-CD2 3.55Å; L230-L327 HydrophobicContact CD1-CD2 4.02Å; L230-L327 HydrophobicContact CG-CD2 4.45Å; L231-L327 HydrophobicContact CD2-CD1 3.67Å; K234-L327 HydrophobicContact CD-CD1 4.41Å; L253-L327 HydrophobicContact CD2-CB 4.25Å; H325-L327 VanDerWaalsContact C-N 3.3Å; H325-L327 PolarHBondContact O-N 2.82Å; L327-A330 WeakPolarHBondContact O-CB 3.32Å; L327-A330 PolarHBondContact O-N 2.87Å; L327-L331 PolarHBondContact O-N 3.48Å
328Q93.7Very high92.5Very high28 Ų2834.6 Ų34.613%0.13118%0.175CC..Hα-helixtrans-71.3-35.8178.9-55.3179.6-13.700111E252 L253 E255 V258 H325 F326 A330 L331 G332E252-Q328 PolarHBondContact O-NE2 3.49Å; L253-Q328 WeakPolarHBondContact O-CA 3.23Å; L253-Q328 WeakPolarHBondContact O-CG 3.31Å; E255-Q328 PolarHBondContact OE2-OE1 3.04Å; V258-Q328 HydrophobicContact CB-CB 4.45Å; V258-Q328 HydrophobicContact CG1-CB 3.99Å; V258-Q328 VanDerWaalsContact CG2-OE1 3.31Å; H325-Q328 HydrophobicContact CB-CB 4.34Å; H325-Q328 HydrophobicContact CB-CG 4.45Å; H325-Q328 PolarHBondContact CD2-OE1 3.3Å; H325-Q328 WeakPolarHBondContact O-CA 3.32Å; H325-Q328 WeakPolarHBondContact O-CB 3.43Å; H325-Q328 PolarHBondContact O-N 3.33Å; F326-Q328 PolarHBondContact O-N 3.03Å; Q328-A330 VanDerWaalsContact C-N 3.35Å; Q328-L331 PolarHBondContact O-N 3Å; Q328-G332 PolarHBondContact O-N 3.45Å
329F94.9Very high93.1Very high16 Ų1632.5 Ų32.57%0.0717%0.171CC..Hα-helixtrans-61.3-42.6169.4-83.2-72000111.5V258 V261 V322 H325 F326 L331 G332 A333 F466V258-F329 HydrophobicContact CG1-CB 4.39Å; V258-F329 HydrophobicContact CG1-CD1 3.66Å; V258-F329 HydrophobicContact CG1-CD2 3.63Å; V258-F329 HydrophobicContact CG1-CE1 3.71Å; V258-F329 HydrophobicContact CG1-CE2 3.65Å; V258-F329 HydrophobicContact CG1-CG 3.62Å; V258-F329 HydrophobicContact CG1-CZ 3.71Å; V261-F329 HydrophobicContact CB-CE1 4.18Å; V261-F329 HydrophobicContact CB-CZ 4.25Å; V261-F329 HydrophobicContact CG1-CE1 4.01Å; V261-F329 HydrophobicContact CG1-CZ 3.98Å; V322-F329 HydrophobicContact CB-CE2 4.22Å; V322-F329 HydrophobicContact CG1-CD2 4.28Å; V322-F329 HydrophobicContact CG1-CE2 4.16Å; V322-F329 HydrophobicContact CG2-CE2 4.12Å; V322-F329 HydrophobicContact CG2-CZ 4.23Å; H325-F329 HydrophobicContact CB-CD2 4.29Å; H325-F329 HydrophobicContact CB-CE2 4.29Å; H325-F329 WeakPolarHBondContact O-CD2 3.38Å; H325-F329 PolarHBondContact O-N 3.1Å; F326-F329 PolarHBondContact O-N 3.32Å; F329-L331 VanDerWaalsContact C-N 3.35Å; F329-L331 PolarHBondContact O-N 3.47Å; F329-G332 PolarHBondContact O-N 2.93Å; F329-A333 VanDerWaalsContact O-CB 3.3Å; F329-A333 WeakPolarHBondContact O-CB 3.19Å; F329-A333 PolarHBondContact O-N 3.31Å; F329-F466 VanDerWaalsContact C-CZ 3.48Å; F329-F466 HydrophobicContact CB-CE1 3.89Å; F329-F466 HydrophobicContact CB-CZ 3.91Å
330A94.7Very high93.5Very high0 Ų031.8 Ų31.80%017%0.169CC..Hα-helixtrans-62.7-40.6176.400000112F227 L230 F326 L327 Q328 T334 F466F227-A330 HydrophobicContact CE1-CB 3.98Å; F227-A330 HydrophobicContact CZ-CB 4.18Å; L230-A330 HydrophobicContact CD1-CB 4.22Å; F326-A330 PolarHBondContact O-N 3.08Å; L327-A330 WeakPolarHBondContact O-CB 3.32Å; L327-A330 PolarHBondContact O-N 2.87Å; Q328-A330 VanDerWaalsContact C-N 3.35Å; A330-T334 WeakPolarHBondContact O-CB 3.43Å; A330-T334 PolarHBondContact O-N 3.17Å; A330-T334 PolarHBondContact O-OG1 3.31Å; A330-F466 HydrophobicContact CB-CD1 3.71Å; A330-F466 HydrophobicContact CB-CE1 3.7Å; A330-F466 HydrophobicContact CB-CG 4.18Å; A330-F466 HydrophobicContact CB-CZ 4.13Å; A330-F466 VanDerWaalsContact N-CE1 3.35Å
331L94.6Very high93.9Very high41 Ų4129.2 Ų29.222%0.21516%0.157CC..Hα-helixtrans-68.8-45.1175.7-17563.2000112.2F227 L253 W254 L327 Q328 F329 A333 T334 V335F227-L331 HydrophobicContact CE1-CB 4.17Å; F227-L331 HydrophobicContact CE2-CD1 4.32Å; F227-L331 HydrophobicContact CZ-CB 3.78Å; F227-L331 HydrophobicContact CZ-CD1 3.99Å; L253-L331 HydrophobicContact CB-CD2 3.83Å; L253-L331 WeakPolarHBondContact O-CD2 3.24Å; W254-L331 HydrophobicContact CE3-CD2 4.04Å; W254-L331 HydrophobicContact CE3-CG 4.27Å; L327-L331 PolarHBondContact O-N 3.48Å; Q328-L331 PolarHBondContact O-N 3Å; F329-L331 VanDerWaalsContact C-N 3.35Å; F329-L331 PolarHBondContact O-N 3.47Å; L331-A333 VanDerWaalsContact C-N 3.32Å; L331-A333 PolarHBondContact O-N 3.34Å; L331-T334 WeakPolarHBondContact O-CB 3.47Å; L331-T334 PolarHBondContact O-N 3.37Å; L331-T334 VanDerWaalsContact O-N 3.14Å; L331-V335 HydrophobicContact CD1-CG2 4.42Å; L331-V335 WeakPolarHBondContact O-CG2 3.32Å; L331-V335 PolarHBondContact O-N 3.17Å
332G95.4Very high94.2Very high2 Ų228.9 Ų28.92%0.02116%0.163CC..Hα-helixtrans-57.6-44.9175.600000112.1F259 Q328 F329 V335 F336F259-G332 WeakPolarHBondContact CE2-O 3.36Å; Q328-G332 PolarHBondContact O-N 3.45Å; F329-G332 PolarHBondContact O-N 2.93Å; G332-V335 PolarHBondContact O-N 2.75Å; G332-F336 WeakPolarHBondContact O-CB 3.29Å; G332-F336 PolarHBondContact O-N 3.34Å
333A95.9Very high94.4Very high0 Ų032.2 Ų32.20%017%0.173CC..Hα-helixtrans-64-41.5174.800000111.9Y262 F329 L331 F336 C337 V462 F466Y262-A333 HydrophobicContact CD2-CB 4.2Å; Y262-A333 HydrophobicContact CE1-CB 4.37Å; Y262-A333 HydrophobicContact CE2-CB 3.54Å; F329-A333 VanDerWaalsContact O-CB 3.3Å; F329-A333 WeakPolarHBondContact O-CB 3.19Å; F329-A333 PolarHBondContact O-N 3.31Å; L331-A333 VanDerWaalsContact C-N 3.32Å; L331-A333 PolarHBondContact O-N 3.34Å; A333-F336 PolarHBondContact O-N 2.88Å; A333-C337 PolarHBondContact O-N 3.1Å; A333-C337 PolarHBondContact O-SG 3.31Å; A333-V462 HydrophobicContact CB-CG2 3.82Å; A333-F466 HydrophobicContact CB-CE2 3.91Å; A333-F466 HydrophobicContact CB-CZ 4.31Å
334T95.9Very high94.5Very high13 Ų1331 Ų318%0.0817%0.168CC..Hα-helixtrans-61.8-46.9176.6-59.90000111.9P223 A330 L331 F336 C337 V338 F458P223-T334 HydrophobicContact CB-CG2 4.21Å; P223-T334 HydrophobicContact CG-CG2 4.47Å; A330-T334 WeakPolarHBondContact O-CB 3.43Å; A330-T334 PolarHBondContact O-N 3.17Å; A330-T334 PolarHBondContact O-OG1 3.31Å; L331-T334 WeakPolarHBondContact O-CB 3.47Å; L331-T334 PolarHBondContact O-N 3.37Å; L331-T334 VanDerWaalsContact O-N 3.14Å; T334-F336 VanDerWaalsContact C-N 3.33Å; T334-F336 PolarHBondContact O-N 3.3Å; T334-C337 WeakPolarHBondContact O-CB 3.36Å; T334-C337 PolarHBondContact O-N 2.92Å; T334-V338 WeakPolarHBondContact O-CG2 3.36Å; T334-V338 PolarHBondContact O-N 2.93Å; T334-F458 HydrophobicContact CG2-CE2 4.16Å
335V95.6Very high94.6Very high52 Ų5231 Ų3132%0.31516%0.161SC..Hα-helixtrans-61.5-44.3176.51710000110.5W254 L331 G332 C337 V338 V339W254-V335 HydrophobicContact CH2-CB 4.48Å; W254-V335 HydrophobicContact CH2-CG1 4.26Å; W254-V335 HydrophobicContact CZ3-CB 4.19Å; W254-V335 HydrophobicContact CZ3-CG1 4.4Å; W254-V335 HydrophobicContact CZ3-CG2 3.84Å; L331-V335 HydrophobicContact CD1-CG2 4.42Å; L331-V335 WeakPolarHBondContact O-CG2 3.32Å; L331-V335 PolarHBondContact O-N 3.17Å; G332-V335 PolarHBondContact O-N 2.75Å; V335-C337 VanDerWaalsContact C-N 3.34Å; V335-C337 PolarHBondContact O-N 3.41Å; V335-V338 PolarHBondContact O-N 3.09Å; V335-V339 WeakPolarHBondContact O-CG2 3.35Å; V335-V339 PolarHBondContact O-N 3.29Å
336F96.1Very high94.6Very high30 Ų3034.5 Ų34.513%0.13218%0.178CC..Hα-helixtrans-59.4-43.3175.5-179.7-99.3000112.2F259 Y262 L263 F266 G332 A333 T334 V339 L340 L461F259-F336 HydrophobicContact CE2-CB 4.29Å; Y262-F336 HydrophobicContact CD1-CB 4.41Å; Y262-F336 HydrophobicContact CE1-CB 3.68Å; Y262-F336 AromaticContact CE1-CD1 3.79Å; Y262-F336 HydrophobicContact CE1-CD1 3.79Å; Y262-F336 HydrophobicContact CE1-CD2 4.38Å; Y262-F336 AromaticContact CE1-CG 3.69Å; Y262-F336 HydrophobicContact CE1-CG 3.69Å; L263-F336 HydrophobicContact CD2-CD2 3.66Å; L263-F336 HydrophobicContact CD2-CE2 3.83Å; F266-F336 AromaticContact CD1-CZ 3.97Å; F266-F336 HydrophobicContact CD1-CZ 3.97Å; F266-F336 AromaticContact CD2-CE1 3.74Å; F266-F336 HydrophobicContact CD2-CE1 3.74Å; F266-F336 AromaticContact CD2-CZ 3.91Å; F266-F336 HydrophobicContact CD2-CZ 3.91Å; F266-F336 HydrophobicContact CE1-CE1 4.45Å; F266-F336 AromaticContact CE1-CZ 3.81Å; F266-F336 HydrophobicContact CE1-CZ 3.81Å; F266-F336 AromaticContact CE2-CE1 3.52Å; F266-F336 HydrophobicContact CE2-CE1 3.52Å; F266-F336 AromaticContact CE2-CZ 3.74Å; F266-F336 HydrophobicContact CE2-CZ 3.74Å; F266-F336 HydrophobicContact CG-CE1 4.28Å; F266-F336 HydrophobicContact CG-CZ 4.01Å; F266-F336 AromaticContact CZ-CE1 3.91Å; F266-F336 HydrophobicContact CZ-CE1 3.91Å; F266-F336 AromaticContact CZ-CZ 3.69Å; F266-F336 HydrophobicContact CZ-CZ 3.69Å; G332-F336 WeakPolarHBondContact O-CB 3.29Å; G332-F336 PolarHBondContact O-N 3.34Å; A333-F336 PolarHBondContact O-N 2.88Å; T334-F336 VanDerWaalsContact C-N 3.33Å; T334-F336 PolarHBondContact O-N 3.3Å; F336-V339 PolarHBondContact O-N 3.31Å; F336-L340 HydrophobicContact CE1-CD2 4.18Å; F336-L340 VanDerWaalsContact O-CB 3.29Å; F336-L340 WeakPolarHBondContact O-CB 3.41Å; F336-L340 PolarHBondContact O-N 2.94Å; F336-L461 HydrophobicContact CD1-CD1 3.92Å; F336-L461 HydrophobicContact CE1-CD1 3.81Å
337C95.7Very high94.5Very high0 Ų037.2 Ų37.20%019%0.189CC..Hα-helixtrans-61-46176.2-72.10000112.5A333 T334 V335 V339 L340 S341 A457 L461 V462A333-C337 PolarHBondContact O-N 3.1Å; A333-C337 PolarHBondContact O-SG 3.31Å; T334-C337 WeakPolarHBondContact O-CB 3.36Å; T334-C337 PolarHBondContact O-N 2.92Å; V335-C337 VanDerWaalsContact C-N 3.34Å; V335-C337 PolarHBondContact O-N 3.41Å; C337-V339 VanDerWaalsContact C-N 3.33Å; C337-V339 PolarHBondContact O-N 3.13Å; C337-L340 PolarHBondContact O-N 3.48Å; C337-S341 WeakPolarHBondContact O-CB 3.46Å; C337-S341 PolarHBondContact O-N 3.13Å; C337-S341 PolarHBondContact O-OG 3.34Å; C337-A457 PolarHBondContact SG-O 2.9Å; C337-A457 VanDerWaalsContact SG-O 3.39Å; C337-L461 WeakPolarHBondContact SG-CB 3.24Å; C337-V462 HydrophobicContact CB-CG2 4.42Å; C337-V462 VanDerWaalsContact SG-CG2 3.54Å
338V95.6Very high94.4Very high63 Ų6336.5 Ų36.538%0.38219%0.185SC..Hα-helixtrans-59.1-46.9177.2173.20000110.4T334 V335 L340 S341 V342 F454T334-V338 WeakPolarHBondContact O-CG2 3.36Å; T334-V338 PolarHBondContact O-N 2.93Å; V335-V338 PolarHBondContact O-N 3.09Å; V338-L340 PolarHBondContact O-N 3.2Å; V338-S341 PolarHBondContact O-N 3.15Å; V338-V342 WeakPolarHBondContact O-CG2 3.47Å; V338-V342 PolarHBondContact O-N 3.15Å; V338-F454 HydrophobicContact CG2-CD2 4.47Å; V338-F454 HydrophobicContact CG2-CE2 3.82Å
339V96.4Very high94.1Very high91 Ų9139.9 Ų39.955%0.55220%0.203SC*.Hα-helixtrans-61.8-44.1177.4172.80000111.3V335 F336 C337 V342 Y343V335-V339 WeakPolarHBondContact O-CG2 3.35Å; V335-V339 PolarHBondContact O-N 3.29Å; F336-V339 PolarHBondContact O-N 3.31Å; C337-V339 VanDerWaalsContact C-N 3.33Å; C337-V339 PolarHBondContact O-N 3.13Å; V339-V342 PolarHBondContact O-N 3.37Å; V339-Y343 PolarHBondContact O-N 3.24Å
340L95.1Very high93.7Very high17 Ų1748.2 Ų48.29%0.08924%0.239CC..Hα-helixtrans-61.1-44.8176.9179.960.9000111.1F336 C337 V338 Y343 L344 L383 F452 A457 L461F336-L340 HydrophobicContact CE1-CD2 4.18Å; F336-L340 VanDerWaalsContact O-CB 3.29Å; F336-L340 WeakPolarHBondContact O-CB 3.41Å; F336-L340 PolarHBondContact O-N 2.94Å; C337-L340 PolarHBondContact O-N 3.48Å; V338-L340 PolarHBondContact O-N 3.2Å; L340-Y343 HydrophobicContact CD1-CD1 4.29Å; L340-Y343 WeakPolarHBondContact O-CB 3.46Å; L340-Y343 PolarHBondContact O-N 3.09Å; L340-L344 HydrophobicContact CD1-CD1 4.41Å; L340-L344 HydrophobicContact CD1-CG 4.38Å; L340-L344 HydrophobicContact CG-CD1 4.04Å; L340-L344 HydrophobicContact CG-CG 4.46Å; L340-L344 WeakPolarHBondContact O-CB 3.31Å; L340-L344 WeakPolarHBondContact O-CG 3.16Å; L340-L344 PolarHBondContact O-N 2.9Å; L340-L383 HydrophobicContact CD1-CD2 4.11Å; L340-F452 HydrophobicContact CD2-CE1 4.41Å; L340-F452 HydrophobicContact CD2-CZ 4.47Å; L340-A457 HydrophobicContact CD2-CB 4.38Å; L340-L461 HydrophobicContact CD2-CD1 3.94Å
341S95.1Very high93.2Very high1 Ų149.2 Ų49.21%0.00725%0.248CC..Hα-helixtrans-64.3-39.4177.5-56.80000112.6C337 V338 L344 Y345 F454C337-S341 WeakPolarHBondContact O-CB 3.46Å; C337-S341 PolarHBondContact O-N 3.13Å; C337-S341 PolarHBondContact O-OG 3.34Å; V338-S341 PolarHBondContact O-N 3.15Å; S341-L344 PolarHBondContact O-N 3.33Å; S341-Y345 WeakPolarHBondContact O-CB 3.46Å; S341-Y345 PolarHBondContact O-N 3.41Å; S341-F454 WeakPolarHBondContact OG-CA 3.29Å; S341-F454 PolarHBondContact OG-N 2.83Å
342V95.2Very high92.6Very high73 Ų7350.8 Ų50.844%0.44226%0.261SS..Hα-helixtrans-61.4-45.9172.7171.30000110.5V338 V339 L344 Y345 M346 F368V338-V342 WeakPolarHBondContact O-CG2 3.47Å; V338-V342 PolarHBondContact O-N 3.15Å; V339-V342 PolarHBondContact O-N 3.37Å; V342-L344 PolarHBondContact O-N 2.88Å; V342-Y345 PolarHBondContact O-N 3.32Å; V342-M346 HydrophobicContact CG1-CG 4.34Å; V342-M346 WeakPolarHBondContact O-CB 3.43Å; V342-M346 VanDerWaalsContact O-CG 3.28Å; V342-M346 WeakPolarHBondContact O-CG 3.09Å; V342-M346 PolarHBondContact O-N 2.84Å; V342-F368 HydrophobicContact CG2-CE2 3.88Å; V342-F368 HydrophobicContact CG2-CZ 4.28Å
343Y94.9Very high91.7Very high103 Ų10358.5 Ų58.540%0.40430%0.296SS..Hα-helixtrans-59.2-46.3175.6166-102.8000112.2V339 L340 Y345 M346 R347 L383V339-Y343 PolarHBondContact O-N 3.24Å; L340-Y343 HydrophobicContact CD1-CD1 4.29Å; L340-Y343 WeakPolarHBondContact O-CB 3.46Å; L340-Y343 PolarHBondContact O-N 3.09Å; Y343-Y345 PolarHBondContact O-N 3.39Å; Y343-M346 PolarHBondContact O-N 2.87Å; Y343-R347 WeakPolarHBondContact O-CB 3.24Å; Y343-R347 PolarHBondContact O-N 2.74Å; Y343-L383 HydrophobicContact CE1-CD2 4.2Å
344L93.4Very high90.8Very high7 Ų762.8 Ų62.84%0.03732%0.319CS..Hα-helixtrans-61.5-43.5178.1-69.7168.6000111.7L340 S341 V342 R347 S348 P376 L383 F452L340-L344 HydrophobicContact CD1-CD1 4.41Å; L340-L344 HydrophobicContact CD1-CG 4.38Å; L340-L344 HydrophobicContact CG-CD1 4.04Å; L340-L344 HydrophobicContact CG-CG 4.46Å; L340-L344 WeakPolarHBondContact O-CB 3.31Å; L340-L344 WeakPolarHBondContact O-CG 3.16Å; L340-L344 PolarHBondContact O-N 2.9Å; S341-L344 PolarHBondContact O-N 3.33Å; V342-L344 PolarHBondContact O-N 2.88Å; L344-R347 PolarHBondContact O-N 2.68Å; L344-S348 WeakPolarHBondContact O-CB 2.97Å; L344-S348 PolarHBondContact O-N 3.33Å; L344-P376 HydrophobicContact CD2-CB 3.76Å; L344-P376 HydrophobicContact CD2-CG 3.65Å; L344-L383 HydrophobicContact CD2-CD2 3.9Å; L344-F452 HydrophobicContact CD1-CD1 3.28Å; L344-F452 HydrophobicContact CD1-CE1 3.47Å; L344-F452 VanDerWaalsContact CD1-CE1 3.47Å; L344-F452 HydrophobicContact CD1-CG 4.13Å; L344-F452 HydrophobicContact CD1-CZ 4.42Å; L344-F452 HydrophobicContact CD2-CD1 3.85Å; L344-F452 HydrophobicContact CD2-CE1 4.33Å; L344-F452 HydrophobicContact CG-CD1 4.2Å
345Y92.6Very high90.1Very high55 Ų5564.2 Ų64.222%0.21633%0.326CS..Hα-helixtrans-63.8-50.3177.1-174-98.7000111.4S341 V342 Y343 R347 S348 L349 A364 D367 F368S341-Y345 WeakPolarHBondContact O-CB 3.46Å; S341-Y345 PolarHBondContact O-N 3.41Å; V342-Y345 PolarHBondContact O-N 3.32Å; Y343-Y345 PolarHBondContact O-N 3.39Å; Y345-R347 VanDerWaalsContact C-N 3.29Å; Y345-R347 PolarHBondContact O-N 3.41Å; Y345-S348 WeakPolarHBondContact O-CB 3.38Å; Y345-S348 PolarHBondContact O-N 2.93Å; Y345-S348 VanDerWaalsContact O-N 3.09Å; Y345-S348 PolarHBondContact O-OG 2.81Å; Y345-L349 HydrophobicContact CE1-CD2 4.38Å; Y345-L349 PolarHBondContact O-N 3.13Å; Y345-A364 WeakPolarHBondContact OH-CA 3.29Å; Y345-A364 VanDerWaalsContact OH-CB 3.26Å; Y345-A364 WeakPolarHBondContact OH-CB 3.38Å; Y345-D367 HydrophobicContact CE2-CB 4.03Å; Y345-F368 HydrophobicContact CD2-CB 4.09Å; Y345-F368 HydrophobicContact CD2-CD2 4.43Å; Y345-F368 HydrophobicContact CE2-CB 4.43Å; Y345-F368 HydrophobicContact CG-CD2 4.15Å
346M91.9Very high89.4Confident112 Ų11263 Ų6355%0.55232%0.318SS*.Hα-helixtrans-60.1-39178.5-71.2-61-69.200112.6V342 Y343 L349V342-M346 HydrophobicContact CG1-CG 4.34Å; V342-M346 WeakPolarHBondContact O-CB 3.43Å; V342-M346 VanDerWaalsContact O-CG 3.28Å; V342-M346 WeakPolarHBondContact O-CG 3.09Å; V342-M346 PolarHBondContact O-N 2.84Å; Y343-M346 PolarHBondContact O-N 2.87Å; M346-L349 WeakPolarHBondContact O-CB 3.33Å; M346-L349 HydrophobicContact SD-CD1 4.17Å
347R90.3Very high88.7Confident61 Ų6161.8 Ų61.823%0.2331%0.313CS..Hα-helixtrans-65.5-42.1174.8176.2-173.9151.2128.213.2111.7Y343 L344 Y345 L349 K350 E373 R377Y343-R347 WeakPolarHBondContact O-CB 3.24Å; Y343-R347 PolarHBondContact O-N 2.74Å; L344-R347 PolarHBondContact O-N 2.68Å; Y345-R347 VanDerWaalsContact C-N 3.29Å; Y345-R347 PolarHBondContact O-N 3.41Å; R347-L349 PolarHBondContact O-N 3.23Å; R347-K350 PolarHBondContact O-N 3.33Å; R347-E373 IonicContact CZ-OE1 3.69Å; R347-E373 IonicContact CZ-OE2 3.8Å; R347-E373 IonicContact NE-OE1 3.55Å; R347-E373 IonicContact NE-OE2 2.95Å; R347-E373 PolarHBondContact NE-OE2 3.02Å; R347-E373 IonicContact NH2-OE1 2.97Å; R347-E373 PolarHBondContact NH2-OE1 3.33Å; R347-E373 IonicContact NH2-OE2 3.81Å; R347-R377 PolarHBondContact NH1-O 3.15Å; R347-R377 PolarHBondContact NH2-O 3.22Å
348S89.4Confident87.7Confident2 Ų264.4 Ų64.41%0.01433%0.33CS..Hα-helixtrans-63-22-178.777.40000113.6L344 Y345 K350 A351 R372L344-S348 WeakPolarHBondContact O-CB 2.97Å; L344-S348 PolarHBondContact O-N 3.33Å; Y345-S348 WeakPolarHBondContact O-CB 3.38Å; Y345-S348 PolarHBondContact O-N 2.93Å; Y345-S348 VanDerWaalsContact O-N 3.09Å; Y345-S348 PolarHBondContact O-OG 2.81Å; S348-K350 PolarHBondContact O-N 2.83Å; S348-A351 WeakPolarHBondContact O-CB 3.46Å; S348-A351 PolarHBondContact O-N 3.32Å; S348-A351 VanDerWaalsContact O-N 3.14Å; S348-R372 WeakPolarHBondContact OG-CB 3.29Å; S348-R372 WeakPolarHBondContact OG-CD 3.26Å
349L87.4Confident86.8Confident98 Ų9862.3 Ų62.351%0.51332%0.32SS..THydrogen-bonded Turntrans-64.3-24.5173.5-60.8178000112.8Y345 M346 R347Y345-L349 HydrophobicContact CE1-CD2 4.38Å; Y345-L349 PolarHBondContact O-N 3.13Å; M346-L349 WeakPolarHBondContact O-CB 3.33Å; M346-L349 HydrophobicContact SD-CD1 4.17Å; R347-L349 PolarHBondContact O-N 3.23Å
350K87.1Confident86Confident191 Ų19158.6 Ų58.683%0.8330%0.298SS*.THydrogen-bonded Turntrans-97.6-2.7176.7-60.2-179.4-177.81780112.7R347 S348R347-K350 PolarHBondContact O-N 3.33Å; S348-K350 PolarHBondContact O-N 2.83Å
351A83.5Confident85.2Confident22 Ų2258.7 Ų58.718%0.18230%0.3CS..SBendtrans-75.7142.2-176.100000111.3S348S348-A351 WeakPolarHBondContact O-CB 3.46Å; S348-A351 PolarHBondContact O-N 3.32Å; S348-A351 VanDerWaalsContact O-N 3.14Å
352P81.9Confident84.3Confident74 Ų7460.9 Ų60.948%0.48132%0.322SS..  trans-68.2152.8176.130.1-34.7000111N354 D355P352-N354 PolarHBondContact O-N 2.92Å; P352-D355 HydrophobicContact CG-CB 4.2Å; P352-D355 VanDerWaalsContact CG-OD2 3.24Å; P352-D355 WeakPolarHBondContact CG-OD2 3.31Å; P352-D355 PolarHBondContact O-N 3.39Å
353Q77.9Confident83.9Confident164 Ų16460.5 Ų60.577%0.76632%0.318SS*.G310 helixtrans-54.6-30.5-176.6-160.2111.76.100113.5D355 L356Q353-D355 VanDerWaalsContact C-N 3.33Å; Q353-D355 PolarHBondContact O-N 3.38Å; Q353-L356 HydrophobicContact CB-CD1 4.47Å; Q353-L356 HydrophobicContact CG-CD1 4.11Å; Q353-L356 WeakPolarHBondContact O-CB 3.42Å; Q353-L356 WeakPolarHBondContact O-CG 3.33Å; Q353-L356 PolarHBondContact O-N 2.97Å
354N76.6Confident83.6Confident89 Ų8958 Ų5848%0.47632%0.319SS..G310 helixtrans-73.7-21.7-177.4-65.612.1000114.2D288 P352D288-N354 PolarHBondContact OD1-ND2 3.2Å; D288-N354 VanDerWaalsContact OD2-CB 3.26Å; D288-N354 WeakPolarHBondContact OD2-CB 3.42Å; D288-N354 PolarHBondContact OD2-ND2 2.89Å; P352-N354 PolarHBondContact O-N 2.92Å
355D80.8Confident83.4Confident43 Ų4360.2 Ų60.223%0.2333%0.332CS..G310 helixtrans-96.53.6-179.5-62.5-21.2000111.6R290 P352 Q353 L374R290-D355 IonicContact CZ-OD1 3.31Å; R290-D355 IonicContact NH2-OD1 2.77Å; R290-D355 PolarHBondContact NH2-OD1 3.03Å; P352-D355 HydrophobicContact CG-CB 4.2Å; P352-D355 VanDerWaalsContact CG-OD2 3.24Å; P352-D355 WeakPolarHBondContact CG-OD2 3.31Å; P352-D355 PolarHBondContact O-N 3.39Å; Q353-D355 VanDerWaalsContact C-N 3.33Å; Q353-D355 PolarHBondContact O-N 3.38Å; D355-L374 PolarHBondContact O-N 3.23Å
356L81.6Confident83.2Confident27 Ų2757.8 Ų57.814%0.14132%0.322CS..BIsolated β-bridgetrans-72.4146176.8-63177.5000111.9Q353 R372Q353-L356 HydrophobicContact CB-CD1 4.47Å; Q353-L356 HydrophobicContact CG-CD1 4.11Å; Q353-L356 WeakPolarHBondContact O-CB 3.42Å; Q353-L356 WeakPolarHBondContact O-CG 3.33Å; Q353-L356 PolarHBondContact O-N 2.97Å; L356-R372 CarbonylContact C-O 3.54Å; L356-R372 WeakPolarHBondContact CA-O 3.39Å; L356-R372 HydrophobicContact CD2-CG 3.53Å
357S79.4Confident83.1Confident4 Ų452.5 Ų52.53%0.02830%0.296CS..  trans-70.1140.1178.169.40000111.3A359 S360 G371 R372S357-A359 PolarHBondContact O-N 3.32Å; S357-A359 VanDerWaalsContact O-N 3.16Å; S357-S360 PolarHBondContact O-N 2.99Å; S357-S360 VanDerWaalsContact O-N 3.15Å; S357-S360 WeakPolarHBondContact OG-CB 3.14Å; S357-S360 PolarHBondContact OG-N 2.85Å; S357-S360 VanDerWaalsContact OG-N 3.16Å; S357-G371 PolarHBondContact OG-O 3.02Å; S357-R372 PolarHBondContact N-O 3.21Å
358P76.7Confident83.2Confident56 Ų5651.4 Ų51.436%0.36429%0.293SS..THydrogen-bonded Turntrans-56.8-26.5170.1-25.333.8000113.1K205 I287 H449K205-P358 WeakPolarHBondContact CE-O 3.46Å; K205-P358 PolarHBondContact NZ-O 3.47Å; I287-P358 HydrophobicContact CD1-CG 4.45Å; P358-H449 WeakPolarHBondContact CD-O 3.32Å
359A75.8Confident83.4Confident19 Ų1951.5 Ų51.516%0.15729%0.293CS..THydrogen-bonded Turntrans-80.5-15.318000000114.4S357 S361 Y366 I370S357-A359 PolarHBondContact O-N 3.32Å; S357-A359 VanDerWaalsContact O-N 3.16Å; A359-S361 PolarHBondContact O-N 3.48Å; A359-Y366 WeakPolarHBondContact O-CE1 3.34Å; A359-I370 HydrophobicContact CB-CG2 3.63Å
360S79.6Confident83.5Confident13 Ų1347 Ų479%0.09127%0.27CS..  trans-63132.8179.9174.70000112.1K205 S357 D367K205-S360 VanDerWaalsContact CD-O 3.28Å; K205-S360 WeakPolarHBondContact CD-O 3.17Å; K205-S360 WeakPolarHBondContact CE-O 3.36Å; K205-S360 PolarHBondContact NZ-O 3.2Å; S357-S360 PolarHBondContact O-N 2.99Å; S357-S360 VanDerWaalsContact O-N 3.15Å; S357-S360 WeakPolarHBondContact OG-CB 3.14Å; S357-S360 PolarHBondContact OG-N 2.85Å; S357-S360 VanDerWaalsContact OG-N 3.16Å; S360-D367 WeakPolarHBondContact CA-OD1 3.32Å; S360-D367 WeakPolarHBondContact CB-OD1 3.44Å; S360-D367 VanDerWaalsContact OG-CG 3.22Å; S360-D367 PolarHBondContact OG-OD1 2.69Å; S360-D367 PolarHBondContact OG-OD2 3.49Å
361S77.3Confident83.7Confident19 Ų1938 Ų3813%0.13323%0.231CC..  trans-106.9-13-174.367.40000113.8A359 N363 Y366 D367A359-S361 PolarHBondContact O-N 3.48Å; S361-N363 VanDerWaalsContact C-N 3.32Å; S361-Y366 WeakPolarHBondContact OG-CD1 3.46Å; S361-D367 PolarHBondContact N-OD1 3.49Å
362G77.7Confident83.9Confident46 Ų4640.2 Ų40.247%0.47424%0.235SC..SBendtrans87.5-6.6-177.100000114.3D367G362-D367 WeakPolarHBondContact CA-OD2 3.12Å; G362-D367 PolarHBondContact N-OD1 2.9Å; G362-D367 PolarHBondContact N-OD2 3.29Å
363N86.2Confident84.3Confident66 Ų6637.4 Ų37.435%0.35322%0.215SC..  trans-83.4128.1169.1-175.6-40.9000109.8V212 S361 V365 Y366 D367V212-N363 VanDerWaalsContact CG2-ND2 3.31Å; V212-N363 WeakPolarHBondContact CG2-ND2 3.41Å; S361-N363 VanDerWaalsContact C-N 3.32Å; N363-V365 PolarHBondContact O-N 3.36Å; N363-V365 PolarHBondContact OD1-N 3.49Å; N363-Y366 PolarHBondContact O-N 2.89Å; N363-D367 VanDerWaalsContact O-CB 3.25Å; N363-D367 WeakPolarHBondContact O-CB 3.3Å; N363-D367 PolarHBondContact O-N 3.03Å
364A87.9Confident84.8Confident51 Ų5130.5 Ų30.542%0.42118%0.183SC..Hα-helixtrans-55.6-43.4-17700000114.2Y345 F368Y345-A364 WeakPolarHBondContact OH-CA 3.29Å; Y345-A364 VanDerWaalsContact OH-CB 3.26Å; Y345-A364 WeakPolarHBondContact OH-CB 3.38Å; A364-F368 VanDerWaalsContact O-CB 3.28Å; A364-F368 WeakPolarHBondContact O-CB 3.43Å; A364-F368 PolarHBondContact O-N 3Å
365V89Confident85.4Confident52 Ų5227.1 Ų27.132%0.31517%0.165SC..Hα-helixtrans-69.3-42.5-177.7179.20000110.9V212 V215 M219 N363 F369V212-V365 HydrophobicContact CG1-CB 4.15Å; V212-V365 HydrophobicContact CG1-CG1 4.15Å; V215-V365 HydrophobicContact CG1-CG1 4.45Å; M219-V365 HydrophobicContact CE-CG1 4.26Å; N363-V365 PolarHBondContact O-N 3.36Å; N363-V365 PolarHBondContact OD1-N 3.49Å; V365-F369 PolarHBondContact O-N 3.39Å
366Y89.4Confident85.9Confident4 Ų425.1 Ų25.12%0.01616%0.155CC..Hα-helixtrans-69.2-44.1178.5-172.8-87.1000111.7L207 E208 V215 A359 S361 N363 F368 F369 I370L207-Y366 HydrophobicContact CB-CE2 4.1Å; L207-Y366 HydrophobicContact CD2-CD1 4.29Å; L207-Y366 HydrophobicContact CD2-CD2 4.05Å; L207-Y366 HydrophobicContact CD2-CE1 4.28Å; L207-Y366 HydrophobicContact CD2-CE2 4.05Å; L207-Y366 HydrophobicContact CD2-CG 4.17Å; E208-Y366 PolarHBondContact N-OH 3.45Å; E208-Y366 VanDerWaalsContact N-OH 3.11Å; V215-Y366 HydrophobicContact CG2-CD2 3.77Å; V215-Y366 HydrophobicContact CG2-CE2 4Å; A359-Y366 WeakPolarHBondContact O-CE1 3.34Å; S361-Y366 WeakPolarHBondContact OG-CD1 3.46Å; N363-Y366 PolarHBondContact O-N 2.89Å; Y366-F368 VanDerWaalsContact C-N 3.29Å; Y366-F368 PolarHBondContact O-N 3.47Å; Y366-F369 PolarHBondContact O-N 3.04Å; Y366-F369 VanDerWaalsContact O-N 3.15Å; Y366-I370 HydrophobicContact CD1-CB 4.48Å; Y366-I370 HydrophobicContact CD1-CG1 4.17Å; Y366-I370 HydrophobicContact CE1-CB 4.15Å; Y366-I370 HydrophobicContact CE1-CG1 3.59Å; Y366-I370 HydrophobicContact CE2-CG1 4.28Å; Y366-I370 PolarHBondContact O-N 2.95Å
367D89.9Confident86.3Confident1 Ų125.9 Ų25.91%0.00516%0.156CC..Hα-helixtrans-66.1-30.5177.7-79-9000112.1Y345 S360 S361 G362 N363 G371 R372Y345-D367 HydrophobicContact CE2-CB 4.03Å; S360-D367 WeakPolarHBondContact CA-OD1 3.32Å; S360-D367 WeakPolarHBondContact CB-OD1 3.44Å; S360-D367 VanDerWaalsContact OG-CG 3.22Å; S360-D367 PolarHBondContact OG-OD1 2.69Å; S360-D367 PolarHBondContact OG-OD2 3.49Å; S361-D367 PolarHBondContact N-OD1 3.49Å; G362-D367 WeakPolarHBondContact CA-OD2 3.12Å; G362-D367 PolarHBondContact N-OD1 2.9Å; G362-D367 PolarHBondContact N-OD2 3.29Å; N363-D367 VanDerWaalsContact O-CB 3.25Å; N363-D367 WeakPolarHBondContact O-CB 3.3Å; N363-D367 PolarHBondContact O-N 3.03Å; D367-G371 CarbonylContact O-C 3.58Å; D367-G371 WeakPolarHBondContact O-CA 3.38Å; D367-G371 PolarHBondContact O-N 3.26Å; D367-R372 HydrophobicContact CB-CB 4.29Å; D367-R372 PolarHBondContact O-N 3.31Å; D367-R372 IonicContact OD2-NH1 3.84Å; D367-R372 PolarHBondContact OD2-NH1 3.32Å
368F92.6Very high86.8Confident39 Ų3930 Ų3017%0.17118%0.177CC..Hα-helixtrans-65.5-41.5171177.7-93.7000111.7M219 V342 Y345 A364 Y366 F454M219-F368 HydrophobicContact CE-CD1 3.9Å; M219-F368 HydrophobicContact CE-CE1 4.36Å; M219-F368 HydrophobicContact SD-CD1 3.86Å; M219-F368 HydrophobicContact SD-CE1 3.72Å; V342-F368 HydrophobicContact CG2-CE2 3.88Å; V342-F368 HydrophobicContact CG2-CZ 4.28Å; Y345-F368 HydrophobicContact CD2-CB 4.09Å; Y345-F368 HydrophobicContact CD2-CD2 4.43Å; Y345-F368 HydrophobicContact CE2-CB 4.43Å; Y345-F368 HydrophobicContact CG-CD2 4.15Å; A364-F368 VanDerWaalsContact O-CB 3.28Å; A364-F368 WeakPolarHBondContact O-CB 3.43Å; A364-F368 PolarHBondContact O-N 3Å; Y366-F368 VanDerWaalsContact C-N 3.29Å; Y366-F368 PolarHBondContact O-N 3.47Å; F368-F454 HydrophobicContact CD1-CB 4.22Å; F368-F454 HydrophobicContact CE1-CB 3.84Å; F368-F454 HydrophobicContact CE1-CD2 4.36Å; F368-F454 HydrophobicContact CE1-CG 4.26Å; F368-F454 PolarHBondContact O-N 3.46Å
369F92.9Very high87.3Confident3 Ų330.8 Ų30.81%0.01320%0.195CC..Hα-helixtrans-71.8-55.7-179.8179.5-103.5000113F209 V215 I218 M219 V365 Y366 G453 F454 M455F209-F369 HydrophobicContact CB-CE1 4.46Å; F209-F369 HydrophobicContact CD1-CE1 4.46Å; F209-F369 HydrophobicContact CD2-CE1 4.17Å; F209-F369 HydrophobicContact CG-CE1 4.1Å; V215-F369 HydrophobicContact CB-CB 4.48Å; V215-F369 HydrophobicContact CB-CD1 4.24Å; V215-F369 HydrophobicContact CB-CG 4.3Å; V215-F369 HydrophobicContact CG1-CB 3.23Å; V215-F369 HydrophobicContact CG1-CD1 3.76Å; V215-F369 HydrophobicContact CG1-CD2 3.93Å; V215-F369 HydrophobicContact CG1-CG 3.38Å; V215-F369 HydrophobicContact CG2-CD1 3.61Å; V215-F369 HydrophobicContact CG2-CE1 4.01Å; V215-F369 HydrophobicContact CG2-CG 4.16Å; I218-F369 HydrophobicContact CB-CE2 4.31Å; I218-F369 HydrophobicContact CB-CZ 4.37Å; I218-F369 HydrophobicContact CG2-CE2 3.72Å; I218-F369 HydrophobicContact CG2-CZ 3.74Å; M219-F369 HydrophobicContact CE-CB 4.25Å; V365-F369 PolarHBondContact O-N 3.39Å; Y366-F369 PolarHBondContact O-N 3.04Å; Y366-F369 VanDerWaalsContact O-N 3.15Å; F369-G453 CarbonylContact O-C 3.48Å; F369-F454 HydrophobicContact CD2-CD1 4.06Å; F369-F454 HydrophobicContact CE2-CD1 4.32Å; F369-F454 PolarHBondContact O-N 3.34Å; F369-F454 VanDerWaalsContact O-N 3.1Å; F369-M455 HydrophobicContact CD1-CB 4.16Å; F369-M455 HydrophobicContact CD2-CB 4.15Å; F369-M455 HydrophobicContact CE1-CB 3.8Å; F369-M455 HydrophobicContact CE1-CG 3.95Å; F369-M455 HydrophobicContact CE1-SD 3.75Å; F369-M455 HydrophobicContact CE2-CB 3.79Å; F369-M455 HydrophobicContact CE2-CG 4.22Å; F369-M455 HydrophobicContact CG-CB 4.32Å; F369-M455 HydrophobicContact CZ-CB 3.6Å; F369-M455 HydrophobicContact CZ-CG 3.63Å; F369-M455 HydrophobicContact CZ-SD 3.96Å; F369-M455 WeakPolarHBondContact O-CB 3.43Å; F369-M455 PolarHBondContact O-N 3.13Å
370I90.7Very high87.7Confident3 Ų335.1 Ų35.12%0.01522%0.22CC..Hα-helixtrans-74-32.7-178.8-72.7-54.7000112.1F209 A359 Y366 G451 G453 M455F209-I370 HydrophobicContact CD2-CD1 3.85Å; F209-I370 HydrophobicContact CE2-CD1 3.6Å; A359-I370 HydrophobicContact CB-CG2 3.63Å; Y366-I370 HydrophobicContact CD1-CB 4.48Å; Y366-I370 HydrophobicContact CD1-CG1 4.17Å; Y366-I370 HydrophobicContact CE1-CB 4.15Å; Y366-I370 HydrophobicContact CE1-CG1 3.59Å; Y366-I370 HydrophobicContact CE2-CG1 4.28Å; Y366-I370 PolarHBondContact O-N 2.95Å; I370-G451 CarbonylContact O-C 3.43Å; I370-G451 WeakPolarHBondContact O-CA 3.32Å; I370-G453 PolarHBondContact O-N 2.9Å; I370-M455 HydrophobicContact CD1-SD 4.01Å
371G90.8Very high88.1Confident2 Ų235.6 Ų35.62%0.02122%0.22CC..  trans93.6127-171.700000112S357 D367 G451S357-G371 PolarHBondContact OG-O 3.02Å; D367-G371 CarbonylContact O-C 3.58Å; D367-G371 WeakPolarHBondContact O-CA 3.38Å; D367-G371 PolarHBondContact O-N 3.26Å; G371-G451 WeakPolarHBondContact O-CA 3.17Å
372R88Confident88.8Confident70 Ų7034.7 Ų34.726%0.26421%0.213SC..SBendtrans-83.7-35.8-178.8179.4173.8178.7109.2-3.7113.2S348 L356 S357 D367S348-R372 WeakPolarHBondContact OG-CB 3.29Å; S348-R372 WeakPolarHBondContact OG-CD 3.26Å; L356-R372 CarbonylContact C-O 3.54Å; L356-R372 WeakPolarHBondContact CA-O 3.39Å; L356-R372 HydrophobicContact CD2-CG 3.53Å; S357-R372 PolarHBondContact N-O 3.21Å; D367-R372 HydrophobicContact CB-CB 4.29Å; D367-R372 PolarHBondContact O-N 3.31Å; D367-R372 IonicContact OD2-NH1 3.84Å; D367-R372 PolarHBondContact OD2-NH1 3.32Å
373E89.7Confident89.5Confident15 Ų1533 Ų337%0.0719%0.194CC..BIsolated β-bridgetrans-88.7134.2175.7-168.9174.8177.500109.7R347 P376 G451 F452R347-E373 IonicContact CZ-OE1 3.69Å; R347-E373 IonicContact CZ-OE2 3.8Å; R347-E373 IonicContact NE-OE1 3.55Å; R347-E373 IonicContact NE-OE2 2.95Å; R347-E373 PolarHBondContact NE-OE2 3.02Å; R347-E373 IonicContact NH2-OE1 2.97Å; R347-E373 PolarHBondContact NH2-OE1 3.33Å; R347-E373 IonicContact NH2-OE2 3.81Å; E373-P376 HydrophobicContact CG-CB 4.25Å; E373-P376 WeakPolarHBondContact OE1-CA 3.47Å; E373-G451 WeakPolarHBondContact O-CA 3.26Å; E373-F452 PolarHBondContact O-N 3.17Å; E373-F452 VanDerWaalsContact O-N 3.11Å
374L87.8Confident89.9Confident18 Ų1829.9 Ų29.99%0.09418%0.177CC..SBendtrans-70.7-48.7-176.8-177.665.4000112.4D355 K384 I448 D450D355-L374 PolarHBondContact O-N 3.23Å; L374-K384 WeakPolarHBondContact O-CD 3.42Å; L374-K384 PolarHBondContact O-NZ 2.93Å; L374-I448 WeakPolarHBondContact CD1-O 3.34Å; L374-D450 WeakPolarHBondContact CD1-O 3.19Å
375N89.9Confident90.1Very high18 Ų1827.4 Ų27.410%0.09616%0.157CC..SBendtrans-138.380.3-176.6-67-58.9000110.1L292 R377L292-N375 HydrophobicContact CD1-CB 3.97Å; N375-R377 PolarHBondContact O-N 2.83Å
376P91.3Very high90.3Very high1 Ų125 Ų251%0.00614%0.142CC..  trans-63.8121.2179.922.7-30.1000111.9L344 E373 L383 F452L344-P376 HydrophobicContact CD2-CB 3.76Å; L344-P376 HydrophobicContact CD2-CG 3.65Å; E373-P376 HydrophobicContact CG-CB 4.25Å; E373-P376 WeakPolarHBondContact OE1-CA 3.47Å; P376-L383 HydrophobicContact CG-CB 4.27Å; P376-L383 VanDerWaalsContact O-CD1 3.25Å; P376-L383 WeakPolarHBondContact O-CD1 3.38Å; P376-L383 PolarHBondContact O-N 3.42Å; P376-F452 HydrophobicContact CG-CB 3.71Å; P376-F452 HydrophobicContact CG-CD1 3.66Å; P376-F452 HydrophobicContact CG-CG 4.13Å
377R90.5Very high90.5Very high44 Ų4424.9 Ų24.917%0.16614%0.142CC..EExtended strand (participates in β ladder)trans-121.4134.6-175.7-75.4176.7176.8-121.6-6.5115.2K293 Y294 R347 N375 F381 D382K293-R377 PolarHBondContact O-NH1 2.9Å; K293-R377 VanDerWaalsContact O-NH1 3.11Å; Y294-R377 PolarHBondContact OH-NH2 2.76Å; R347-R377 PolarHBondContact NH1-O 3.15Å; R347-R377 PolarHBondContact NH2-O 3.22Å; N375-R377 PolarHBondContact O-N 2.83Å; R377-F381 CarbonylContact C-O 3.59Å; R377-F381 WeakPolarHBondContact CA-O 3.28Å; R377-D382 HydrophobicContact CG-CB 4.05Å; R377-D382 IonicContact CZ-OD2 3.39Å; R377-D382 IonicContact NE-OD2 2.88Å; R377-D382 PolarHBondContact NE-OD2 3.44Å; R377-D382 IonicContact NH2-OD2 3.3Å; R377-D382 PolarHBondContact NH2-OD2 3.48Å
378I89.2Confident90.5Very high91 Ų9126 Ų2647%0.46715%0.147SC..EExtended strand (participates in β ladder)trans-107.995.7167.3-59.3168.3000107.2T380 F381 L383I378-T380 PolarHBondContact O-N 3.27Å; I378-F381 PolarHBondContact N-O 3.26Å; I378-F381 VanDerWaalsContact O-CB 3.28Å; I378-F381 WeakPolarHBondContact O-CB 3.25Å; I378-F381 PolarHBondContact O-N 3.41Å; I378-L383 HydrophobicContact CD1-CD1 3.89Å; I378-L383 HydrophobicContact CG1-CD1 3.84Å
379G86.1Confident90.1Very high72 Ų7224.3 Ų24.374%0.74214%0.14SC*.THydrogen-bonded Turntrans62.7-117.4-170.100000111.3
380T84.3Confident90Very high110 Ų11024.1 Ų24.168%0.67514%0.139SC*.THydrogen-bonded Turntrans-87.4-8.5175.956.30000113.7I378I378-T380 PolarHBondContact O-N 3.27Å
381F89.6Confident90.1Very high22 Ų2224.2 Ų24.210%0.09614%0.14CC..EExtended strand (participates in β ladder)trans-82.6114.7-176.3-175.8-102.5000110.8V270 Y273 L274 R377 I378 L383 F386V270-F381 HydrophobicContact CG1-CE2 4.33Å; V270-F381 HydrophobicContact CG2-CE2 4.4Å; V270-F381 HydrophobicContact CG2-CZ 4.07Å; Y273-F381 AromaticContact CD1-CD2 3.3Å; Y273-F381 HydrophobicContact CD1-CD2 3.3Å; Y273-F381 AromaticContact CD1-CE2 3.54Å; Y273-F381 HydrophobicContact CD1-CE2 3.54Å; Y273-F381 HydrophobicContact CE1-CB 4.49Å; Y273-F381 AromaticContact CE1-CD2 3.38Å; Y273-F381 HydrophobicContact CE1-CD2 3.38Å; Y273-F381 AromaticContact CE1-CE2 3.95Å; Y273-F381 HydrophobicContact CE1-CE2 3.95Å; Y273-F381 HydrophobicContact CE1-CG 4.29Å; Y273-F381 HydrophobicContact CG-CD2 4.19Å; Y273-F381 AromaticContact CG-CE2 3.97Å; Y273-F381 HydrophobicContact CG-CE2 3.97Å; L274-F381 HydrophobicContact CD2-CD2 4.26Å; R377-F381 CarbonylContact C-O 3.59Å; R377-F381 WeakPolarHBondContact CA-O 3.28Å; I378-F381 PolarHBondContact N-O 3.26Å; I378-F381 VanDerWaalsContact O-CB 3.28Å; I378-F381 WeakPolarHBondContact O-CB 3.25Å; I378-F381 PolarHBondContact O-N 3.41Å; F381-L383 HydrophobicContact CD1-CD1 3.71Å; F381-L383 HydrophobicContact CD1-CG 4.07Å; F381-L383 HydrophobicContact CE1-CD1 4.01Å; F381-L383 HydrophobicContact CE1-CG 3.83Å; F381-F386 HydrophobicContact CE1-CB 4.39Å; F381-F386 HydrophobicContact CE1-CD1 4.33Å; F381-F386 HydrophobicContact CE1-CG 4.36Å; F381-F386 HydrophobicContact CE2-CB 3.89Å; F381-F386 HydrophobicContact CE2-CD1 4.17Å; F381-F386 AromaticContact CE2-CD2 3.62Å; F381-F386 HydrophobicContact CE2-CD2 3.62Å; F381-F386 HydrophobicContact CE2-CE2 4.18Å; F381-F386 AromaticContact CE2-CG 3.6Å; F381-F386 HydrophobicContact CE2-CG 3.6Å; F381-F386 HydrophobicContact CZ-CB 3.67Å; F381-F386 AromaticContact CZ-CD1 3.44Å; F381-F386 HydrophobicContact CZ-CD1 3.44Å; F381-F386 VanDerWaalsContact CZ-CD1 3.44Å; F381-F386 AromaticContact CZ-CD2 3.78Å; F381-F386 HydrophobicContact CZ-CD2 3.78Å; F381-F386 AromaticContact CZ-CE1 3.97Å; F381-F386 HydrophobicContact CZ-CE1 3.97Å; F381-F386 HydrophobicContact CZ-CE2 4.28Å; F381-F386 AromaticContact CZ-CG 3.32Å; F381-F386 HydrophobicContact CZ-CG 3.32Å; F381-F386 HydrophobicContact CZ-CZ 4.36Å
382D91.8Very high90.2Very high0 Ų024.2 Ų24.20%014%0.139CC..EExtended strand (participates in β ladder)trans-96.2110.8176.3-169-51.8000109.3Y294 R377 K384 Y385 F386Y294-D382 HydrophobicContact CE1-CB 4.12Å; Y294-D382 VanDerWaalsContact CE1-OD2 3.31Å; Y294-D382 WeakPolarHBondContact CE1-OD2 3.16Å; Y294-D382 PolarHBondContact OH-OD2 3.5Å; R377-D382 HydrophobicContact CG-CB 4.05Å; R377-D382 IonicContact CZ-OD2 3.39Å; R377-D382 IonicContact NE-OD2 2.88Å; R377-D382 PolarHBondContact NE-OD2 3.44Å; R377-D382 IonicContact NH2-OD2 3.3Å; R377-D382 PolarHBondContact NH2-OD2 3.48Å; D382-K384 VanDerWaalsContact C-N 3.32Å; D382-K384 PolarHBondContact O-N 2.96Å; D382-K384 PolarHBondContact OD1-N 3.41Å; D382-Y385 PolarHBondContact OD1-N 2.9Å; D382-F386 WeakPolarHBondContact O-CB 3.37Å; D382-F386 PolarHBondContact O-N 3.4Å
383L92.6Very high90.4Very high11 Ų1122 Ų226%0.05813%0.132CC..Hα-helixtrans-65.1-39.6-171.4-82.278.5000111.6L340 Y343 L344 P376 I378 F381 F386 C387 F452L340-L383 HydrophobicContact CD1-CD2 4.11Å; Y343-L383 HydrophobicContact CE1-CD2 4.2Å; L344-L383 HydrophobicContact CD2-CD2 3.9Å; P376-L383 HydrophobicContact CG-CB 4.27Å; P376-L383 VanDerWaalsContact O-CD1 3.25Å; P376-L383 WeakPolarHBondContact O-CD1 3.38Å; P376-L383 PolarHBondContact O-N 3.42Å; I378-L383 HydrophobicContact CD1-CD1 3.89Å; I378-L383 HydrophobicContact CG1-CD1 3.84Å; F381-L383 HydrophobicContact CD1-CD1 3.71Å; F381-L383 HydrophobicContact CD1-CG 4.07Å; F381-L383 HydrophobicContact CE1-CD1 4.01Å; F381-L383 HydrophobicContact CE1-CG 3.83Å; L383-F386 PolarHBondContact O-N 3.04Å; L383-C387 WeakPolarHBondContact O-CB 3.35Å; L383-C387 PolarHBondContact O-N 3.03Å; L383-C387 PolarHBondContact O-SG 2.88Å; L383-C387 VanDerWaalsContact O-SG 3.36Å; L383-F452 HydrophobicContact CB-CD1 4.12Å; L383-F452 HydrophobicContact CB-CE1 3.87Å
384K93Very high90.7Very high0 Ų021.3 Ų21.30%013%0.129CC..Hα-helixtrans-65.1-55.4-177.9-178.3-173.8-170.9179.30110.7L374 D382 F386 C387 E388 D446 I447 D450 F452 L456L374-K384 WeakPolarHBondContact O-CD 3.42Å; L374-K384 PolarHBondContact O-NZ 2.93Å; D382-K384 VanDerWaalsContact C-N 3.32Å; D382-K384 PolarHBondContact O-N 2.96Å; D382-K384 PolarHBondContact OD1-N 3.41Å; K384-F386 PolarHBondContact O-N 2.86Å; K384-C387 PolarHBondContact O-N 3.37Å; K384-E388 WeakPolarHBondContact O-CB 3.19Å; K384-E388 PolarHBondContact O-N 2.88Å; K384-E388 VanDerWaalsContact O-N 3.09Å; K384-D446 WeakPolarHBondContact CE-O 3.47Å; K384-D446 PolarHBondContact NZ-O 3.29Å; K384-I447 HydrophobicContact CD-CD1 4.08Å; K384-I447 HydrophobicContact CG-CD1 4.11Å; K384-I447 PolarHBondContact NZ-O 3.45Å; K384-D450 PolarHBondContact NZ-O 2.89Å; K384-F452 HydrophobicContact CB-CB 3.9Å; K384-F452 HydrophobicContact CB-CD1 4.2Å; K384-F452 HydrophobicContact CB-CD2 3.82Å; K384-F452 HydrophobicContact CB-CE2 4.42Å; K384-F452 HydrophobicContact CB-CG 3.72Å; K384-F452 HydrophobicContact CD-CB 4.19Å; K384-F452 HydrophobicContact CG-CB 4.04Å; K384-F452 HydrophobicContact CG-CD2 3.71Å; K384-F452 HydrophobicContact CG-CE2 4.43Å; K384-F452 HydrophobicContact CG-CG 4Å; K384-L456 HydrophobicContact CG-CD1 4.49Å
385Y92.1Very high91Very high0 Ų020.7 Ų20.70%013%0.127CC..Hα-helixtrans-60.9-34.9177.5174.7-106.8000112.7Y273 Y294 L296 D382 L389 E438 L441 L442Y273-Y385 AromaticContact CE2-CD1 3.88Å; Y273-Y385 HydrophobicContact CE2-CD1 3.88Å; Y273-Y385 AromaticContact CE2-CE1 3.92Å; Y273-Y385 HydrophobicContact CE2-CE1 3.92Å; Y294-Y385 AromaticContact CD1-CD1 3.85Å; Y294-Y385 HydrophobicContact CD1-CD1 3.85Å; Y294-Y385 HydrophobicContact CD1-CD2 4.25Å; Y294-Y385 HydrophobicContact CD1-CE1 4.2Å; Y294-Y385 AromaticContact CD1-CG 3.83Å; Y294-Y385 HydrophobicContact CD1-CG 3.83Å; Y294-Y385 HydrophobicContact CE1-CD1 4.45Å; Y294-Y385 HydrophobicContact CE1-CD2 4.49Å; Y294-Y385 HydrophobicContact CE1-CG 4.06Å; L296-Y385 WeakPolarHBondContact CD2-OH 3.44Å; D382-Y385 PolarHBondContact OD1-N 2.9Å; Y385-L389 HydrophobicContact CD2-CD1 4.26Å; Y385-L389 HydrophobicContact CE2-CD1 3.62Å; Y385-E438 HydrophobicContact CE2-CG 4.42Å; Y385-E438 WeakPolarHBondContact OH-CG 3.4Å; Y385-E438 PolarHBondContact OH-OE1 3.36Å; Y385-L441 HydrophobicContact CD2-CD2 4.23Å; Y385-L441 HydrophobicContact CE2-CD2 4.24Å; Y385-L442 HydrophobicContact CD2-CD2 3.85Å; Y385-L442 HydrophobicContact CE2-CD2 3.71Å
386F93.9Very high91.3Very high0 Ų019.8 Ų19.80%012%0.123CC..Hα-helixtrans-64.6-54.2175.1170.6-100.6000111.8F266 Q269 V270 Y273 F381 D382 L383 K384 E388 L389 R390 P391F266-F386 HydrophobicContact CD2-CE1 4.3Å; F266-F386 HydrophobicContact CE1-CE1 4.11Å; F266-F386 HydrophobicContact CE2-CD1 4.46Å; F266-F386 AromaticContact CE2-CE1 3.66Å; F266-F386 HydrophobicContact CE2-CE1 3.66Å; F266-F386 HydrophobicContact CZ-CD1 4.24Å; F266-F386 AromaticContact CZ-CE1 3.55Å; F266-F386 HydrophobicContact CZ-CE1 3.55Å; Q269-F386 HydrophobicContact CB-CE2 4.12Å; Q269-F386 HydrophobicContact CB-CZ 3.86Å; Q269-F386 WeakPolarHBondContact O-CE2 3.47Å; V270-F386 HydrophobicContact CB-CZ 4.29Å; V270-F386 HydrophobicContact CG2-CE1 3.8Å; V270-F386 HydrophobicContact CG2-CE2 4.11Å; V270-F386 HydrophobicContact CG2-CZ 3.45Å; V270-F386 VanDerWaalsContact CG2-CZ 3.45Å; Y273-F386 AromaticContact CD2-CD2 3.83Å; Y273-F386 HydrophobicContact CD2-CD2 3.83Å; Y273-F386 AromaticContact CG-CD2 3.85Å; Y273-F386 HydrophobicContact CG-CD2 3.85Å; Y273-F386 HydrophobicContact CG-CE2 4.43Å; F381-F386 HydrophobicContact CE1-CB 4.39Å; F381-F386 HydrophobicContact CE1-CD1 4.33Å; F381-F386 HydrophobicContact CE1-CG 4.36Å; F381-F386 HydrophobicContact CE2-CB 3.89Å; F381-F386 HydrophobicContact CE2-CD1 4.17Å; F381-F386 AromaticContact CE2-CD2 3.62Å; F381-F386 HydrophobicContact CE2-CD2 3.62Å; F381-F386 HydrophobicContact CE2-CE2 4.18Å; F381-F386 AromaticContact CE2-CG 3.6Å; F381-F386 HydrophobicContact CE2-CG 3.6Å; F381-F386 HydrophobicContact CZ-CB 3.67Å; F381-F386 AromaticContact CZ-CD1 3.44Å; F381-F386 HydrophobicContact CZ-CD1 3.44Å; F381-F386 VanDerWaalsContact CZ-CD1 3.44Å; F381-F386 AromaticContact CZ-CD2 3.78Å; F381-F386 HydrophobicContact CZ-CD2 3.78Å; F381-F386 AromaticContact CZ-CE1 3.97Å; F381-F386 HydrophobicContact CZ-CE1 3.97Å; F381-F386 HydrophobicContact CZ-CE2 4.28Å; F381-F386 AromaticContact CZ-CG 3.32Å; F381-F386 HydrophobicContact CZ-CG 3.32Å; F381-F386 HydrophobicContact CZ-CZ 4.36Å; D382-F386 WeakPolarHBondContact O-CB 3.37Å; D382-F386 PolarHBondContact O-N 3.4Å; L383-F386 PolarHBondContact O-N 3.04Å; K384-F386 PolarHBondContact O-N 2.86Å; F386-E388 PolarHBondContact O-N 2.97Å; F386-L389 PolarHBondContact O-N 2.91Å; F386-R390 HydrophobicContact CD2-CB 3.86Å; F386-R390 HydrophobicContact CD2-CG 3.81Å; F386-R390 HydrophobicContact CE2-CB 3.69Å; F386-R390 HydrophobicContact CE2-CG 4.02Å; F386-R390 HydrophobicContact CZ-CB 4.32Å; F386-R390 WeakPolarHBondContact O-CB 3.38Å; F386-R390 PolarHBondContact O-N 2.96Å; F386-P391 HydrophobicContact CD1-CG 4.4Å; F386-P391 HydrophobicContact CE1-CG 3.86Å; F386-P391 HydrophobicContact CZ-CG 4.22Å; F386-P391 VanDerWaalsContact O-CD 3.29Å; F386-P391 WeakPolarHBondContact O-CD 3.33Å
387C93.7Very high91.6Very high2 Ų220.9 Ų20.91%0.01413%0.129CC..Hα-helixtrans-61.1-42.1-176.2-75.70000112.4L383 K384 L389 F452 D460 L461L383-C387 WeakPolarHBondContact O-CB 3.35Å; L383-C387 PolarHBondContact O-N 3.03Å; L383-C387 PolarHBondContact O-SG 2.88Å; L383-C387 VanDerWaalsContact O-SG 3.36Å; K384-C387 PolarHBondContact O-N 3.37Å; C387-L389 VanDerWaalsContact C-N 3.33Å; C387-L389 PolarHBondContact O-N 2.84Å; C387-F452 HydrophobicContact CB-CE2 4.15Å; C387-F452 HydrophobicContact CB-CZ 3.69Å; C387-D460 HydrophobicContact CB-CB 4.28Å; C387-L461 HydrophobicContact CB-CD2 4.28Å
388E89.7Confident91.8Very high24 Ų2420 Ų2011%0.11213%0.129CC..Hα-helixtrans-60-38.6-177.2-169173.3-17700113K384 F386 L441 I447 D460K384-E388 WeakPolarHBondContact O-CB 3.19Å; K384-E388 PolarHBondContact O-N 2.88Å; K384-E388 VanDerWaalsContact O-N 3.09Å; F386-E388 PolarHBondContact O-N 2.97Å; E388-L441 HydrophobicContact CG-CD1 4.49Å; E388-L441 HydrophobicContact CG-CD2 4.07Å; E388-L441 WeakPolarHBondContact OE1-CD1 3.13Å; E388-I447 WeakPolarHBondContact OE2-CD1 3.44Å; E388-I447 WeakPolarHBondContact OE2-CG1 3.34Å; E388-D460 WeakPolarHBondContact CA-OD2 3.25Å; E388-D460 PolarHBondContact N-OD2 3.02Å
389L85.6Confident92.1Very high4 Ų416.6 Ų16.62%0.02111%0.111CC..Hα-helixtrans-105.1-35.9-175.4-75.4169.9000115.4Y385 F386 C387 L393 L435 E438 L441Y385-L389 HydrophobicContact CD2-CD1 4.26Å; Y385-L389 HydrophobicContact CE2-CD1 3.62Å; F386-L389 PolarHBondContact O-N 2.91Å; C387-L389 VanDerWaalsContact C-N 3.33Å; C387-L389 PolarHBondContact O-N 2.84Å; L389-L393 HydrophobicContact CD2-CD1 3.75Å; L389-L393 WeakPolarHBondContact O-CB 3.38Å; L389-L435 HydrophobicContact CD2-CD2 4.49Å; L389-E438 HydrophobicContact CD1-CG 3.66Å; L389-E438 WeakPolarHBondContact CD1-OE1 3.48Å; L389-L441 HydrophobicContact CD1-CD2 3.39Å; L389-L441 HydrophobicContact CD2-CD2 3.8Å; L389-L441 HydrophobicContact CG-CD2 3.37Å
390R90.2Very high92.6Very high0 Ų013.3 Ų13.30%08%0.077CC..Iπ-helixtrans-90.9-81-162.2-59.5-69.8-171.9-82.9-13.9111.8Y273 N297 G298 F386 G392 I394 E438Y273-R390 HydrophobicContact CD2-CG 4.45Å; N297-R390 PolarHBondContact OD1-NH2 3.45Å; G298-R390 VanDerWaalsContact CA-NH2 3.33Å; G298-R390 VanDerWaalsContact N-CZ 3.35Å; F386-R390 HydrophobicContact CD2-CB 3.86Å; F386-R390 HydrophobicContact CD2-CG 3.81Å; F386-R390 HydrophobicContact CE2-CB 3.69Å; F386-R390 HydrophobicContact CE2-CG 4.02Å; F386-R390 HydrophobicContact CZ-CB 4.32Å; F386-R390 WeakPolarHBondContact O-CB 3.38Å; F386-R390 PolarHBondContact O-N 2.96Å; R390-G392 PolarHBondContact O-N 3Å; R390-I394 WeakPolarHBondContact O-CB 3.32Å; R390-I394 WeakPolarHBondContact O-CG1 3.13Å; R390-I394 PolarHBondContact O-N 3.31Å; R390-I394 VanDerWaalsContact O-N 3.17Å; R390-E438 IonicContact CZ-OE1 3.08Å; R390-E438 IonicContact NH1-OE1 2.69Å; R390-E438 PolarHBondContact NH1-OE1 3.05Å; R390-E438 IonicContact NH2-OE1 2.62Å; R390-E438 PolarHBondContact NH2-OE1 3.17Å; R390-E438 IonicContact NH2-OE2 3.81Å
391P92.6Very high93.1Very high5 Ų511 Ų113%0.0326%0.06CC..Iπ-helixtrans-63-30.2-175.828.9-37.3000112.6W265 F266 F386 G395 L461W265-P391 PolarHBondContact NE1-O 3.44Å; F266-P391 HydrophobicContact CD2-CB 4.15Å; F266-P391 HydrophobicContact CD2-CG 4.28Å; F266-P391 HydrophobicContact CE2-CG 4.2Å; F386-P391 HydrophobicContact CD1-CG 4.4Å; F386-P391 HydrophobicContact CE1-CG 3.86Å; F386-P391 HydrophobicContact CZ-CG 4.22Å; F386-P391 VanDerWaalsContact O-CD 3.29Å; F386-P391 WeakPolarHBondContact O-CD 3.33Å; P391-G395 WeakPolarHBondContact O-CA 3.45Å; P391-G395 PolarHBondContact O-N 3.11Å; P391-L461 HydrophobicContact CB-CD2 3.81Å; P391-L461 HydrophobicContact CG-CD2 3.29Å
392G91.8Very high93.4Very high1 Ų110 Ų101%0.016%0.056CC..Iπ-helixtrans-71.9-73.9178.300000113.3R390 I394 G395 W396 D460R390-G392 PolarHBondContact O-N 3Å; G392-I394 PolarHBondContact O-N 3.17Å; G392-G395 PolarHBondContact O-N 2.95Å; G392-W396 PolarHBondContact O-N 3Å; G392-D460 WeakPolarHBondContact CA-O 3.24Å
393L93.7Very high93.5Very high23 Ų2310 Ų1012%0.126%0.056CC..Iπ-helixtrans-66.3-40.2-174.2-64.8176000113.9L389 G395 W396 V397 V431 A434 V464L389-L393 HydrophobicContact CD2-CD1 3.75Å; L389-L393 WeakPolarHBondContact O-CB 3.38Å; L393-G395 VanDerWaalsContact C-N 3.3Å; L393-W396 HydrophobicContact CD2-CE3 3.98Å; L393-W396 HydrophobicContact CD2-CZ3 4.27Å; L393-W396 WeakPolarHBondContact O-CB 3.26Å; L393-W396 PolarHBondContact O-N 3.2Å; L393-V397 PolarHBondContact O-N 3.35Å; L393-V431 HydrophobicContact CB-CG1 4.04Å; L393-V431 HydrophobicContact CB-CG2 4.48Å; L393-V431 HydrophobicContact CD2-CG2 4.49Å; L393-A434 HydrophobicContact CD1-CB 4.28Å; L393-V464 HydrophobicContact CD2-CG1 3.9Å
394I95.4Very high93.6Very high1 Ų110.9 Ų10.91%0.0056%0.06CC..Iπ-helixtrans-66.4-41.3175.4-55.6176.9000108.6W265 A301 F302 T305 R390 G392 W396 V397 V398 L435W265-I394 HydrophobicContact CH2-CB 4.41Å; W265-I394 HydrophobicContact CH2-CG2 3.86Å; W265-I394 HydrophobicContact CZ2-CB 4.42Å; W265-I394 HydrophobicContact CZ2-CG2 4.35Å; A301-I394 HydrophobicContact CB-CD1 4.29Å; F302-I394 HydrophobicContact CB-CD1 4.36Å; F302-I394 HydrophobicContact CD2-CG1 4.44Å; F302-I394 HydrophobicContact CD2-CG2 4.17Å; T305-I394 HydrophobicContact CG2-CG2 3.8Å; R390-I394 WeakPolarHBondContact O-CB 3.32Å; R390-I394 WeakPolarHBondContact O-CG1 3.13Å; R390-I394 PolarHBondContact O-N 3.31Å; R390-I394 VanDerWaalsContact O-N 3.17Å; G392-I394 PolarHBondContact O-N 3.17Å; I394-W396 VanDerWaalsContact C-N 3.3Å; I394-W396 PolarHBondContact O-N 2.77Å; I394-V397 PolarHBondContact O-N 3.38Å; I394-V397 VanDerWaalsContact O-N 3.15Å; I394-V398 WeakPolarHBondContact O-CG2 3.16Å; I394-V398 PolarHBondContact O-N 3.06Å; I394-V398 VanDerWaalsContact O-N 3.1Å; I394-L435 HydrophobicContact CG1-CD1 4.3Å
395G94.6Very high93.7Very high5 Ų513.5 Ų13.55%0.0527%0.074CC..Hα-helixtrans-58.9-40.5177.100000112.5W265 P391 G392 L393 V397 V398 I399W265-G395 VanDerWaalsContact CZ2-CA 3.47Å; P391-G395 WeakPolarHBondContact O-CA 3.45Å; P391-G395 PolarHBondContact O-N 3.11Å; G392-G395 PolarHBondContact O-N 2.95Å; L393-G395 VanDerWaalsContact C-N 3.3Å; G395-V397 PolarHBondContact O-N 3.11Å; G395-V398 PolarHBondContact O-N 2.6Å; G395-I399 VanDerWaalsContact O-CG1 3.32Å; G395-I399 WeakPolarHBondContact O-CG1 3.48Å; G395-I399 PolarHBondContact O-N 3.44Å
396W96.2Very high93.7Very high0 Ų013.5 Ų13.50%07%0.074CC..Hα-helixtrans-56.5-46.1174.1174.129.7000112.6G392 L393 I394 V398 I399 N400 Q427 Y430 V431 Y468 W558G392-W396 PolarHBondContact O-N 3Å; L393-W396 HydrophobicContact CD2-CE3 3.98Å; L393-W396 HydrophobicContact CD2-CZ3 4.27Å; L393-W396 WeakPolarHBondContact O-CB 3.26Å; L393-W396 PolarHBondContact O-N 3.2Å; I394-W396 VanDerWaalsContact C-N 3.3Å; I394-W396 PolarHBondContact O-N 2.77Å; W396-V398 VanDerWaalsContact C-N 3.33Å; W396-V398 PolarHBondContact O-N 3.2Å; W396-I399 PolarHBondContact O-N 3.24Å; W396-N400 PolarHBondContact NE1-ND2 2.98Å; W396-N400 VanDerWaalsContact NE1-ND2 3.13Å; W396-N400 WeakPolarHBondContact O-CB 3.46Å; W396-N400 PolarHBondContact O-N 2.91Å; W396-N400 PolarHBondContact O-ND2 3.04Å; W396-Q427 HydrophobicContact CH2-CB 4.08Å; W396-Q427 HydrophobicContact CH2-CG 4.2Å; W396-Q427 HydrophobicContact CZ2-CB 3.52Å; W396-Q427 VanDerWaalsContact CZ2-CD 3.42Å; W396-Q427 HydrophobicContact CZ2-CG 3.46Å; W396-Q427 VanDerWaalsContact CZ2-CG 3.46Å; W396-Y430 HydrophobicContact CH2-CD1 4.07Å; W396-Y430 AromaticContact CZ3-CD1 3.87Å; W396-Y430 HydrophobicContact CZ3-CD1 3.87Å; W396-Y430 HydrophobicContact CZ3-CE1 4.42Å; W396-V431 HydrophobicContact CD2-CG2 4.11Å; W396-V431 HydrophobicContact CE3-CG2 3.22Å; W396-V431 HydrophobicContact CH2-CG2 4.32Å; W396-V431 HydrophobicContact CZ3-CG2 3.35Å; W396-Y468 VanDerWaalsContact CE2-CB 3.46Å; W396-Y468 HydrophobicContact CE3-CD2 4.39Å; W396-Y468 AromaticContact CH2-CD2 3.87Å; W396-Y468 HydrophobicContact CH2-CD2 3.87Å; W396-Y468 HydrophobicContact CZ2-CD2 4.05Å; W396-Y468 HydrophobicContact CZ2-CG 4.41Å; W396-Y468 HydrophobicContact CZ3-CD2 4.03Å; W396-Y468 PolarHBondContact NE1-O 3.41Å; W396-Y468 VanDerWaalsContact NE1-O 3.15Å; W396-W558 AromaticContact CH2-CH2 3.83Å; W396-W558 HydrophobicContact CH2-CH2 3.83Å; W396-W558 AromaticContact CH2-CZ3 3.87Å; W396-W558 HydrophobicContact CH2-CZ3 3.87Å; W396-W558 HydrophobicContact CZ2-CZ3 4.18Å
397V96.5Very high93.7Very high23 Ų2313.5 Ų13.514%0.1397%0.074CC..Hα-helixtrans-63.2-41.2176.6177.80000111.5F302 L393 I394 G395 N400 L401 L428 V431F302-V397 HydrophobicContact CE2-CB 4.32Å; F302-V397 HydrophobicContact CE2-CG1 4.01Å; F302-V397 HydrophobicContact CE2-CG2 4.34Å; F302-V397 HydrophobicContact CZ-CG1 4.43Å; L393-V397 PolarHBondContact O-N 3.35Å; I394-V397 PolarHBondContact O-N 3.38Å; I394-V397 VanDerWaalsContact O-N 3.15Å; G395-V397 PolarHBondContact O-N 3.11Å; V397-N400 PolarHBondContact O-N 3.39Å; V397-L401 PolarHBondContact O-N 2.62Å; V397-L428 HydrophobicContact CG1-CD1 3.68Å; V397-L428 HydrophobicContact CG2-CD1 4.32Å; V397-V431 HydrophobicContact CG2-CB 3.64Å; V397-V431 HydrophobicContact CG2-CG1 3.63Å; V397-V431 HydrophobicContact CG2-CG2 3.72Å
398V95.4Very high93.6Very high27 Ų2715.7 Ų15.716%0.1648%0.084CC..Hα-helixtrans-63.5-46.7177.9178.20000110.8W265 T305 I309 I394 G395 W396 N400 L401 V402W265-V398 HydrophobicContact CH2-CG2 3.85Å; W265-V398 HydrophobicContact CZ3-CG2 4.23Å; T305-V398 HydrophobicContact CG2-CG2 4.26Å; I309-V398 HydrophobicContact CD1-CB 4.12Å; I309-V398 HydrophobicContact CD1-CG1 3.76Å; I309-V398 HydrophobicContact CD1-CG2 3.29Å; I394-V398 WeakPolarHBondContact O-CG2 3.16Å; I394-V398 PolarHBondContact O-N 3.06Å; I394-V398 VanDerWaalsContact O-N 3.1Å; G395-V398 PolarHBondContact O-N 2.6Å; W396-V398 VanDerWaalsContact C-N 3.33Å; W396-V398 PolarHBondContact O-N 3.2Å; V398-N400 VanDerWaalsContact C-N 3.31Å; V398-N400 PolarHBondContact O-N 2.88Å; V398-L401 WeakPolarHBondContact O-CB 3.36Å; V398-L401 PolarHBondContact O-N 3.15Å; V398-V402 WeakPolarHBondContact O-CG2 2.85Å; V398-V402 PolarHBondContact O-N 3.2Å
399I95.9Very high93.7Very high18 Ų1819.5 Ų19.59%0.09210%0.101CC..Hα-helixtrans-58.6-45.2177.1-71.2168.7000110.3F326 G395 W396 L401 V402 M403 P465F326-I399 HydrophobicContact CE2-CD1 4.29Å; F326-I399 HydrophobicContact CE2-CG2 3.6Å; F326-I399 HydrophobicContact CZ-CG2 4.08Å; G395-I399 VanDerWaalsContact O-CG1 3.32Å; G395-I399 WeakPolarHBondContact O-CG1 3.48Å; G395-I399 PolarHBondContact O-N 3.44Å; W396-I399 PolarHBondContact O-N 3.24Å; I399-L401 VanDerWaalsContact C-N 3.34Å; I399-L401 PolarHBondContact O-N 3.07Å; I399-V402 CarbonylContact O-C 3.13Å; I399-V402 WeakPolarHBondContact O-CA 3.39Å; I399-V402 WeakPolarHBondContact O-CB 3.49Å; I399-V402 PolarHBondContact O-N 3.25Å; I399-V402 VanDerWaalsContact O-N 3.1Å; I399-M403 HydrophobicContact CG2-CE 3.76Å; I399-M403 HydrophobicContact CG2-CG 4.37Å; I399-M403 VanDerWaalsContact O-CG 3.32Å; I399-M403 WeakPolarHBondContact O-CG 3.41Å; I399-M403 PolarHBondContact O-N 3.09Å; I399-P465 HydrophobicContact CD1-CB 3.62Å
400N96.3Very high93.9Very high3 Ų322.9 Ų22.92%0.01612%0.118CC..Hα-helixtrans-59-43.6176.8-78.4-19.6000112.8W396 V397 V398 V402 M403 L404 N424 Q427 S469W396-N400 PolarHBondContact NE1-ND2 2.98Å; W396-N400 VanDerWaalsContact NE1-ND2 3.13Å; W396-N400 WeakPolarHBondContact O-CB 3.46Å; W396-N400 PolarHBondContact O-N 2.91Å; W396-N400 PolarHBondContact O-ND2 3.04Å; V397-N400 PolarHBondContact O-N 3.39Å; V398-N400 VanDerWaalsContact C-N 3.31Å; V398-N400 PolarHBondContact O-N 2.88Å; N400-V402 VanDerWaalsContact C-N 3.31Å; N400-V402 PolarHBondContact O-N 3.4Å; N400-M403 WeakPolarHBondContact O-CB 3.35Å; N400-M403 PolarHBondContact O-N 3.28Å; N400-M403 VanDerWaalsContact O-N 3.12Å; N400-L404 PolarHBondContact O-N 2.91Å; N400-N424 WeakPolarHBondContact CB-OD1 3.36Å; N400-N424 PolarHBondContact O-OD1 3.32Å; N400-Q427 PolarHBondContact ND2-OE1 3.24Å; N400-Q427 PolarHBondContact OD1-OE1 3.38Å; N400-S469 WeakPolarHBondContact OD1-CA 3.49Å; N400-S469 VanDerWaalsContact OD1-CB 3.31Å; N400-S469 WeakPolarHBondContact OD1-CB 3.42Å
401L95.2Very high93.8Very high61 Ų6125.9 Ų25.932%0.31913%0.132SC..Hα-helixtrans-60.9-41.4174.4178.864.1000111.4I309 V397 V398 I399 M403 L404 L405I309-L401 HydrophobicContact CG2-CD2 3.85Å; V397-L401 PolarHBondContact O-N 2.62Å; V398-L401 WeakPolarHBondContact O-CB 3.36Å; V398-L401 PolarHBondContact O-N 3.15Å; I399-L401 VanDerWaalsContact C-N 3.34Å; I399-L401 PolarHBondContact O-N 3.07Å; L401-M403 VanDerWaalsContact C-N 3.34Å; L401-M403 PolarHBondContact O-N 3.36Å; L401-L404 PolarHBondContact O-N 3.47Å; L401-L405 HydrophobicContact CG-CD1 4.42Å; L401-L405 WeakPolarHBondContact O-CG 3.16Å; L401-L405 PolarHBondContact O-N 3.39Å
402V95.1Very high93.6Very high2 Ų233.1 Ų33.11%0.01217%0.17CC..Hα-helixtrans-59.3-45.1173171.60000110.9F319 V322 V398 I399 N400 L404 L405 A406F319-V402 HydrophobicContact CB-CG2 4.13Å; F319-V402 HydrophobicContact CD1-CG2 4.17Å; F319-V402 WeakPolarHBondContact O-CG1 3.42Å; V322-V402 HydrophobicContact CB-CG1 3.81Å; V322-V402 HydrophobicContact CB-CG2 4.16Å; V322-V402 HydrophobicContact CG1-CG1 4.07Å; V322-V402 HydrophobicContact CG1-CG2 4.22Å; V398-V402 WeakPolarHBondContact O-CG2 2.85Å; V398-V402 PolarHBondContact O-N 3.2Å; I399-V402 CarbonylContact O-C 3.13Å; I399-V402 WeakPolarHBondContact O-CA 3.39Å; I399-V402 WeakPolarHBondContact O-CB 3.49Å; I399-V402 PolarHBondContact O-N 3.25Å; I399-V402 VanDerWaalsContact O-N 3.1Å; N400-V402 VanDerWaalsContact C-N 3.31Å; N400-V402 PolarHBondContact O-N 3.4Å; V402-L404 VanDerWaalsContact C-N 3.32Å; V402-L404 PolarHBondContact O-N 3.23Å; V402-L405 PolarHBondContact O-N 3.16Å; V402-A406 VanDerWaalsContact O-CB 3.3Å; V402-A406 WeakPolarHBondContact O-CB 3.37Å; V402-A406 PolarHBondContact O-N 3.15Å
403M95.1Very high93.4Very high0 Ų036.5 Ų36.50%018%0.183CC..Hα-helixtrans-61.7-41.6178.7-63.2-54.2167.800111.4Y323 F326 I399 N400 L401 L405 A406 E407 A472 F473 V476Y323-M403 HydrophobicContact CD2-CE 4.27Å; Y323-M403 HydrophobicContact CD2-SD 3.56Å; Y323-M403 VanDerWaalsContact CD2-SD 3.56Å; Y323-M403 HydrophobicContact CE2-SD 4.13Å; F326-M403 HydrophobicContact CD1-CE 4.14Å; F326-M403 HydrophobicContact CD2-CE 3.54Å; F326-M403 HydrophobicContact CE1-CE 4Å; F326-M403 HydrophobicContact CE2-CE 3.4Å; F326-M403 VanDerWaalsContact CE2-CE 3.4Å; F326-M403 HydrophobicContact CG-CE 3.92Å; F326-M403 HydrophobicContact CZ-CE 3.63Å; I399-M403 HydrophobicContact CG2-CE 3.76Å; I399-M403 HydrophobicContact CG2-CG 4.37Å; I399-M403 VanDerWaalsContact O-CG 3.32Å; I399-M403 WeakPolarHBondContact O-CG 3.41Å; I399-M403 PolarHBondContact O-N 3.09Å; N400-M403 WeakPolarHBondContact O-CB 3.35Å; N400-M403 PolarHBondContact O-N 3.28Å; N400-M403 VanDerWaalsContact O-N 3.12Å; L401-M403 VanDerWaalsContact C-N 3.34Å; L401-M403 PolarHBondContact O-N 3.36Å; M403-L405 PolarHBondContact O-N 2.88Å; M403-A406 PolarHBondContact O-N 2.94Å; M403-E407 PolarHBondContact O-N 3.22Å; M403-A472 HydrophobicContact CB-CB 3.82Å; M403-A472 HydrophobicContact CG-CB 4.04Å; M403-F473 HydrophobicContact CE-CB 4.27Å; M403-F473 HydrophobicContact CE-CD2 3.62Å; M403-F473 HydrophobicContact CE-CE2 4.47Å; M403-F473 HydrophobicContact CE-CG 4.39Å; M403-F473 HydrophobicContact SD-CB 4.31Å; M403-F473 HydrophobicContact SD-CD2 3.82Å; M403-V476 HydrophobicContact CB-CG2 3.96Å; M403-V476 VanDerWaalsContact O-CG2 3.31Å; M403-V476 WeakPolarHBondContact O-CG2 3.48Å; M403-V476 HydrophobicContact SD-CG2 4.18Å
404L94.8Very high93.1Very high29 Ų2940 Ų4015%0.15222%0.215CC..Hα-helixtrans-60.2-46.4175.5-179.1155.4000111.7N400 L401 V402 A406 E407 M408 P416 M420 N424N400-L404 PolarHBondContact O-N 2.91Å; L401-L404 PolarHBondContact O-N 3.47Å; V402-L404 VanDerWaalsContact C-N 3.32Å; V402-L404 PolarHBondContact O-N 3.23Å; L404-A406 VanDerWaalsContact C-N 3.33Å; L404-A406 PolarHBondContact O-N 3.11Å; L404-E407 PolarHBondContact O-N 2.83Å; L404-M408 HydrophobicContact CD2-SD 4.03Å; L404-M408 WeakPolarHBondContact O-CG 3.13Å; L404-M408 PolarHBondContact O-N 3.11Å; L404-P416 HydrophobicContact CD1-CB 4.4Å; L404-P416 HydrophobicContact CD1-CG 4.13Å; L404-P416 HydrophobicContact CD2-CB 4.29Å; L404-P416 HydrophobicContact CD2-CG 3.53Å; L404-P416 HydrophobicContact CG-CB 3.97Å; L404-P416 HydrophobicContact CG-CG 3.73Å; L404-M420 HydrophobicContact CB-CG 3.97Å; L404-M420 HydrophobicContact CD1-CG 4.37Å; L404-M420 HydrophobicContact CG-CG 4.07Å; L404-N424 HydrophobicContact CD1-CB 4.26Å
405L93.4Very high92.8Very high55 Ų5545.8 Ų45.829%0.28825%0.245SC..Hα-helixtrans-67.4-34.3176.6-65.1174.1000112.3L313 F319 L401 V402 M403 M408 K409L313-L405 HydrophobicContact CD2-CD1 3.77Å; F319-L405 HydrophobicContact CB-CD1 4.29Å; L401-L405 HydrophobicContact CG-CD1 4.42Å; L401-L405 WeakPolarHBondContact O-CG 3.16Å; L401-L405 PolarHBondContact O-N 3.39Å; V402-L405 PolarHBondContact O-N 3.16Å; M403-L405 PolarHBondContact O-N 2.88Å; L405-M408 HydrophobicContact CD2-SD 4.48Å; L405-K409 PolarHBondContact O-N 3.22Å; L405-K409 VanDerWaalsContact O-N 3.13Å
406A93.1Very high92.6Very high0 Ų046.7 Ų46.70%025%0.249CC..Hα-helixtrans-68.2-41.4177.400000111.9Y323 V402 M403 L404 M408 K409 I410 V476Y323-A406 HydrophobicContact CD1-CB 4.06Å; Y323-A406 HydrophobicContact CD2-CB 4.12Å; Y323-A406 HydrophobicContact CG-CB 3.71Å; V402-A406 VanDerWaalsContact O-CB 3.3Å; V402-A406 WeakPolarHBondContact O-CB 3.37Å; V402-A406 PolarHBondContact O-N 3.15Å; M403-A406 PolarHBondContact O-N 2.94Å; L404-A406 VanDerWaalsContact C-N 3.33Å; L404-A406 PolarHBondContact O-N 3.11Å; A406-M408 PolarHBondContact O-N 3.14Å; A406-K409 PolarHBondContact O-N 2.61Å; A406-I410 HydrophobicContact CB-CD1 4.46Å; A406-I410 WeakPolarHBondContact O-CB 3.31Å; A406-I410 WeakPolarHBondContact O-CD1 3.36Å; A406-I410 VanDerWaalsContact O-CG1 3.29Å; A406-I410 WeakPolarHBondContact O-CG1 3.31Å; A406-I410 PolarHBondContact O-N 3Å; A406-V476 HydrophobicContact CB-CG1 4.23Å; A406-V476 HydrophobicContact CB-CG2 4.45Å
407E93.3Very high92.4Very high0 Ų046.8 Ų46.80%025%0.25CS..Hα-helixtrans-57.6-48.7173.5-177.3-166-14800110.8M403 L404 K409 I410 Q411 S417 M420 V476M403-E407 PolarHBondContact O-N 3.22Å; L404-E407 PolarHBondContact O-N 2.83Å; E407-K409 VanDerWaalsContact C-N 3.31Å; E407-K409 PolarHBondContact O-N 3.05Å; E407-I410 PolarHBondContact O-N 2.96Å; E407-Q411 HydrophobicContact CG-CG 4.17Å; E407-Q411 VanDerWaalsContact O-CB 3.28Å; E407-Q411 WeakPolarHBondContact O-CB 3.45Å; E407-Q411 WeakPolarHBondContact O-CG 3.36Å; E407-Q411 PolarHBondContact O-N 2.99Å; E407-S417 WeakPolarHBondContact OE1-CB 3.3Å; E407-S417 PolarHBondContact OE1-OG 3.14Å; E407-S417 PolarHBondContact OE2-N 2.84Å; E407-S417 PolarHBondContact OE2-OG 3.38Å; E407-M420 HydrophobicContact CB-CE 3.81Å; E407-M420 HydrophobicContact CG-CE 4.18Å; E407-M420 WeakPolarHBondContact OE2-CB 3.23Å; E407-M420 VanDerWaalsContact OE2-CG 3.26Å; E407-M420 WeakPolarHBondContact OE2-CG 3.28Å; E407-V476 HydrophobicContact CB-CG2 4.29Å
408M91.8Very high92.2Very high48 Ų4847.4 Ų47.424%0.23625%0.252CS..Hα-helixtrans-56.9-44.3177.9-68.3176.867.800112.1L404 L405 A406 D412 R413 A414 P416L404-M408 HydrophobicContact CD2-SD 4.03Å; L404-M408 WeakPolarHBondContact O-CG 3.13Å; L404-M408 PolarHBondContact O-N 3.11Å; L405-M408 HydrophobicContact CD2-SD 4.48Å; A406-M408 PolarHBondContact O-N 3.14Å; M408-D412 WeakPolarHBondContact O-CA 3.39Å; M408-D412 PolarHBondContact O-N 3.36Å; M408-R413 PolarHBondContact O-N 3.22Å; M408-A414 VanDerWaalsContact CE-O 3.23Å; M408-A414 WeakPolarHBondContact CE-O 3.34Å; M408-P416 HydrophobicContact CG-CB 4.25Å; M408-P416 HydrophobicContact CG-CG 3.87Å; M408-P416 HydrophobicContact SD-CG 3.59Å; M408-P416 VanDerWaalsContact SD-CG 3.59Å
409K91.4Very high92.2Very high104 Ų10446.1 Ų46.145%0.45225%0.245SC..Hα-helixtrans-71.5-39.3-178.7-170.3172.7-178174.10112.8E318 H320 L405 A406 E407E318-K409 IonicContact OE1-NZ 2.73Å; E318-K409 PolarHBondContact OE1-NZ 3.12Å; E318-K409 IonicContact OE2-NZ 3.53Å; H320-K409 HydrophobicContact CB-CD 4.13Å; L405-K409 PolarHBondContact O-N 3.22Å; L405-K409 VanDerWaalsContact O-N 3.13Å; A406-K409 PolarHBondContact O-N 2.61Å; E407-K409 VanDerWaalsContact C-N 3.31Å; E407-K409 PolarHBondContact O-N 3.05Å
410I90.8Very high92.2Very high75 Ų7545.2 Ų45.239%0.38524%0.24SC..Hα-helixtrans-77.8-38.8-176.3-69.8164.3000111.6Y323 A406 E407 D412 V476Y323-I410 HydrophobicContact CD1-CD1 3.91Å; Y323-I410 HydrophobicContact CE1-CD1 3.3Å; A406-I410 HydrophobicContact CB-CD1 4.46Å; A406-I410 WeakPolarHBondContact O-CB 3.31Å; A406-I410 WeakPolarHBondContact O-CD1 3.36Å; A406-I410 VanDerWaalsContact O-CG1 3.29Å; A406-I410 WeakPolarHBondContact O-CG1 3.31Å; A406-I410 PolarHBondContact O-N 3Å; E407-I410 PolarHBondContact O-N 2.96Å; I410-D412 VanDerWaalsContact C-N 3.31Å; I410-V476 HydrophobicContact CD1-CG1 3.5Å
411Q88.3Confident92.1Very high64 Ų6448 Ų4830%0.29926%0.255SS..THydrogen-bonded Turntrans-90.33.3-178.3-56.7-64.7-22.900112.7E407 R413 V476 P479E407-Q411 HydrophobicContact CG-CG 4.17Å; E407-Q411 VanDerWaalsContact O-CB 3.28Å; E407-Q411 WeakPolarHBondContact O-CB 3.45Å; E407-Q411 WeakPolarHBondContact O-CG 3.36Å; E407-Q411 PolarHBondContact O-N 2.99Å; Q411-R413 VanDerWaalsContact C-N 3.31Å; Q411-R413 HydrophobicContact CB-CG 3.85Å; Q411-R413 WeakPolarHBondContact O-CG 3.49Å; Q411-R413 PolarHBondContact O-N 3.33Å; Q411-V476 PolarHBondContact NE2-O 2.92Å; Q411-V476 VanDerWaalsContact NE2-O 3.12Å; Q411-P479 HydrophobicContact CG-CG 4.46Å
412D88.4Confident92.2Very high156 Ų15645.7 Ų45.783%0.83424%0.242SC*.THydrogen-bonded Turntrans50.147.2-176.8-160.630.8000113.2M408 I410M408-D412 WeakPolarHBondContact O-CA 3.39Å; M408-D412 PolarHBondContact O-N 3.36Å; I410-D412 VanDerWaalsContact C-N 3.31Å
413R87Confident92.3Very high73 Ų7345.6 Ų45.628%0.27524%0.242SC..  trans-106.4133.1-177.1-61-179.1178.4-149.8-3.5111.2M408 Q411 I415 E481M408-R413 PolarHBondContact O-N 3.22Å; Q411-R413 VanDerWaalsContact C-N 3.31Å; Q411-R413 HydrophobicContact CB-CG 3.85Å; Q411-R413 WeakPolarHBondContact O-CG 3.49Å; Q411-R413 PolarHBondContact O-N 3.33Å; R413-I415 VanDerWaalsContact CB-O 3.31Å; R413-I415 WeakPolarHBondContact CB-O 3.4Å; R413-I415 PolarHBondContact O-N 3.49Å; R413-E481 IonicContact CZ-OE1 3.14Å; R413-E481 IonicContact NH1-OE1 2.68Å; R413-E481 PolarHBondContact NH1-OE1 2.87Å; R413-E481 IonicContact NH2-OE1 2.73Å; R413-E481 PolarHBondContact NH2-OE1 3.05Å
414A87.6Confident92.3Very high96 Ų9646.4 Ų46.479%0.79325%0.246SC*.SBendtrans-68.8-24.1171.800000113.1M408M408-A414 VanDerWaalsContact CE-O 3.23Å; M408-A414 WeakPolarHBondContact CE-O 3.34Å
415I88.4Confident92.4Very high123 Ų12347.9 Ų47.963%0.63126%0.259SS*.SBendtrans-132.9139.3-179.1-56.5175.9000108.2R413R413-I415 VanDerWaalsContact CB-O 3.31Å; R413-I415 WeakPolarHBondContact CB-O 3.4Å; R413-I415 PolarHBondContact O-N 3.49Å
416P89.9Confident92.6Very high23 Ų2346 Ų4615%0.14925%0.248CC..  trans-60.2159174.8-15.525.4000112.6L404 M408 M420 I421L404-P416 HydrophobicContact CD1-CB 4.4Å; L404-P416 HydrophobicContact CD1-CG 4.13Å; L404-P416 HydrophobicContact CD2-CB 4.29Å; L404-P416 HydrophobicContact CD2-CG 3.53Å; L404-P416 HydrophobicContact CG-CB 3.97Å; L404-P416 HydrophobicContact CG-CG 3.73Å; M408-P416 HydrophobicContact CG-CB 4.25Å; M408-P416 HydrophobicContact CG-CG 3.87Å; M408-P416 HydrophobicContact SD-CG 3.59Å; M408-P416 VanDerWaalsContact SD-CG 3.59Å; P416-M420 HydrophobicContact CB-CB 4.47Å; P416-I421 HydrophobicContact CB-CD1 4.34Å; P416-I421 HydrophobicContact CB-CG1 3.99Å; P416-I421 HydrophobicContact CG-CG1 4.39Å
417S92.7Very high92.8Very high2 Ų246 Ų461%0.01425%0.248CC..  trans-64.2152174.669.40000111.4E407 A419 M420 I421E407-S417 WeakPolarHBondContact OE1-CB 3.3Å; E407-S417 PolarHBondContact OE1-OG 3.14Å; E407-S417 PolarHBondContact OE2-N 2.84Å; E407-S417 PolarHBondContact OE2-OG 3.38Å; S417-A419 PolarHBondContact O-N 3.37Å; S417-M420 PolarHBondContact O-N 2.97Å; S417-M420 VanDerWaalsContact O-N 3.13Å; S417-M420 WeakPolarHBondContact OG-CB 3.41Å; S417-M420 PolarHBondContact OG-N 2.97Å; S417-M420 VanDerWaalsContact OG-N 3.13Å; S417-I421 WeakPolarHBondContact O-CG1 3.48Å; S417-I421 PolarHBondContact O-N 3.48Å
418L93.5Very high92.9Very high36 Ų3649.4 Ų49.419%0.18827%0.266CS..Hα-helixtrans-58.4-37.4176-175.762000111I421 L422 V482 W484 A487L418-I421 PolarHBondContact O-N 3.33Å; L418-L422 HydrophobicContact CG-CD1 4.32Å; L418-L422 VanDerWaalsContact O-CG 3.26Å; L418-L422 WeakPolarHBondContact O-CG 3.48Å; L418-L422 PolarHBondContact O-N 2.75Å; L418-V482 WeakPolarHBondContact CD2-O 3.42Å; L418-W484 HydrophobicContact CD1-CH2 4.45Å; L418-W484 HydrophobicContact CD1-CZ3 4.46Å; L418-W484 HydrophobicContact CD2-CD2 4.44Å; L418-W484 HydrophobicContact CD2-CE3 4.43Å; L418-A487 HydrophobicContact CD2-CB 3.66Å; L418-A487 HydrophobicContact CG-CB 4.37Å
419A94.6Very high93.1Very high0 Ų050.8 Ų50.80%027%0.274CS..Hα-helixtrans-59.4-47.6175.800000112S417 I421 L422 V423 L475 N480 V482 P561S417-A419 PolarHBondContact O-N 3.37Å; A419-I421 PolarHBondContact O-N 3.44Å; A419-L422 PolarHBondContact O-N 3.28Å; A419-V423 WeakPolarHBondContact O-CG2 3.25Å; A419-V423 PolarHBondContact O-N 3.35Å; A419-L475 HydrophobicContact CB-CD1 3.95Å; A419-L475 HydrophobicContact CB-CD2 3.86Å; A419-N480 WeakPolarHBondContact CB-O 3.37Å; A419-V482 HydrophobicContact CB-CG2 3.92Å; A419-P561 HydrophobicContact CB-CB 3.95Å; A419-P561 WeakPolarHBondContact CB-O 3.49Å
420M95.3Very high93.3Very high0 Ų047.6 Ų47.60%026%0.259CS..Hα-helixtrans-62.7-42.7179.3-173.263.97900111.9L404 E407 P416 S417 L422 V423 N424 A472 L475 V476L404-M420 HydrophobicContact CB-CG 3.97Å; L404-M420 HydrophobicContact CD1-CG 4.37Å; L404-M420 HydrophobicContact CG-CG 4.07Å; E407-M420 HydrophobicContact CB-CE 3.81Å; E407-M420 HydrophobicContact CG-CE 4.18Å; E407-M420 WeakPolarHBondContact OE2-CB 3.23Å; E407-M420 VanDerWaalsContact OE2-CG 3.26Å; E407-M420 WeakPolarHBondContact OE2-CG 3.28Å; P416-M420 HydrophobicContact CB-CB 4.47Å; S417-M420 PolarHBondContact O-N 2.97Å; S417-M420 VanDerWaalsContact O-N 3.13Å; S417-M420 WeakPolarHBondContact OG-CB 3.41Å; S417-M420 PolarHBondContact OG-N 2.97Å; S417-M420 VanDerWaalsContact OG-N 3.13Å; M420-L422 PolarHBondContact O-N 3.41Å; M420-V423 PolarHBondContact O-N 2.95Å; M420-N424 VanDerWaalsContact O-CB 3.31Å; M420-N424 WeakPolarHBondContact O-CB 3.47Å; M420-N424 PolarHBondContact O-N 3.16Å; M420-N424 PolarHBondContact O-ND2 3.16Å; M420-N424 PolarHBondContact SD-ND2 3.13Å; M420-A472 WeakPolarHBondContact CE-O 3.35Å; M420-A472 HydrophobicContact SD-CB 3.96Å; M420-L475 HydrophobicContact CE-CB 3.54Å; M420-L475 HydrophobicContact SD-CB 4.38Å; M420-L475 HydrophobicContact SD-CD1 4.5Å; M420-V476 HydrophobicContact CE-CG2 3.93Å
421I95.4Very high93.6Very high62 Ų6244 Ų4432%0.31824%0.241SC..Hα-helixtrans-61.2-44.8177.1-65.7170.4000110.6P416 S417 L418 A419 S425P416-I421 HydrophobicContact CB-CD1 4.34Å; P416-I421 HydrophobicContact CB-CG1 3.99Å; P416-I421 HydrophobicContact CG-CG1 4.39Å; S417-I421 WeakPolarHBondContact O-CG1 3.48Å; S417-I421 PolarHBondContact O-N 3.48Å; L418-I421 PolarHBondContact O-N 3.33Å; A419-I421 PolarHBondContact O-N 3.44Å; I421-S425 WeakPolarHBondContact O-CB 3.44Å; I421-S425 PolarHBondContact O-N 3.49Å; I421-S425 PolarHBondContact O-OG 2.91Å
422L96.3Very high93.9Very high11 Ų1143.1 Ų43.16%0.05824%0.24CC..Hα-helixtrans-61.7-50.7178.7-70.2173.4000111.4L418 A419 M420 N424 S425 F426 A487 I491 P561L418-L422 HydrophobicContact CG-CD1 4.32Å; L418-L422 VanDerWaalsContact O-CG 3.26Å; L418-L422 WeakPolarHBondContact O-CG 3.48Å; L418-L422 PolarHBondContact O-N 2.75Å; A419-L422 PolarHBondContact O-N 3.28Å; M420-L422 PolarHBondContact O-N 3.41Å; L422-N424 PolarHBondContact O-N 3.15Å; L422-S425 PolarHBondContact O-N 2.76Å; L422-F426 HydrophobicContact CB-CD2 4.49Å; L422-F426 HydrophobicContact CB-CE2 4.02Å; L422-F426 HydrophobicContact CB-CZ 4.23Å; L422-F426 HydrophobicContact CD2-CE1 4.24Å; L422-F426 HydrophobicContact CD2-CE2 4.44Å; L422-F426 HydrophobicContact CD2-CZ 3.82Å; L422-F426 VanDerWaalsContact O-CB 3.32Å; L422-F426 WeakPolarHBondContact O-CB 3.32Å; L422-F426 WeakPolarHBondContact O-CD1 3.42Å; L422-F426 VanDerWaalsContact O-CD2 3.25Å; L422-F426 WeakPolarHBondContact O-CD2 3.31Å; L422-F426 WeakPolarHBondContact O-CG 3.24Å; L422-F426 PolarHBondContact O-N 3.25Å; L422-A487 HydrophobicContact CD1-CB 3.87Å; L422-I491 HydrophobicContact CD2-CD1 3.9Å; L422-I491 HydrophobicContact CD2-CG1 3.78Å; L422-P561 HydrophobicContact CB-CG 4.17Å
423V96.6Very high94.2Very high0 Ų036.2 Ų36.20%020%0.203CC..Hα-helixtrans-58.4-52.2179.3174.10000110.7A419 M420 S425 F426 Q427 Q471 A472 L475 W558 P561A419-V423 WeakPolarHBondContact O-CG2 3.25Å; A419-V423 PolarHBondContact O-N 3.35Å; M420-V423 PolarHBondContact O-N 2.95Å; V423-S425 PolarHBondContact O-N 2.9Å; V423-F426 PolarHBondContact O-N 3.23Å; V423-Q427 HydrophobicContact CG1-CG 4.44Å; V423-Q427 WeakPolarHBondContact O-CB 3.45Å; V423-Q427 VanDerWaalsContact O-CG 3.29Å; V423-Q427 WeakPolarHBondContact O-CG 3.14Å; V423-Q427 PolarHBondContact O-N 2.71Å; V423-Q471 HydrophobicContact CG1-CB 3.91Å; V423-Q471 HydrophobicContact CG2-CB 4.37Å; V423-A472 HydrophobicContact CG1-CB 4.37Å; V423-L475 HydrophobicContact CB-CD1 4.48Å; V423-L475 HydrophobicContact CG2-CD1 3.84Å; V423-W558 WeakPolarHBondContact CG2-O 3.38Å; V423-P561 HydrophobicContact CG2-CB 3.8Å; V423-P561 HydrophobicContact CG2-CG 3.88Å
424N96.9Very high94.4Very high18 Ų1834.1 Ų34.110%0.09620%0.201CC..Hα-helixtrans-58.4-47.1179.7-86.4-100.6000111.6N400 L404 M420 L422 F426 Q427 L428N400-N424 WeakPolarHBondContact CB-OD1 3.36Å; N400-N424 PolarHBondContact O-OD1 3.32Å; L404-N424 HydrophobicContact CD1-CB 4.26Å; M420-N424 VanDerWaalsContact O-CB 3.31Å; M420-N424 WeakPolarHBondContact O-CB 3.47Å; M420-N424 PolarHBondContact O-N 3.16Å; M420-N424 PolarHBondContact O-ND2 3.16Å; M420-N424 PolarHBondContact SD-ND2 3.13Å; L422-N424 PolarHBondContact O-N 3.15Å; N424-F426 PolarHBondContact O-N 2.94Å; N424-Q427 PolarHBondContact O-N 3.25Å; N424-L428 WeakPolarHBondContact O-CB 3.47Å; N424-L428 PolarHBondContact O-N 2.85Å
425S96.8Very high94.7Very high59 Ų5929.7 Ų29.741%0.41316%0.164SC..Hα-helixtrans-64.8-42-178.7-59.40000112I421 L422 V423 L429I421-S425 WeakPolarHBondContact O-CB 3.44Å; I421-S425 PolarHBondContact O-N 3.49Å; I421-S425 PolarHBondContact O-OG 2.91Å; L422-S425 PolarHBondContact O-N 2.76Å; V423-S425 PolarHBondContact O-N 2.9Å; S425-L429 WeakPolarHBondContact O-CB 3.01Å; S425-L429 PolarHBondContact O-N 2.87Å
426F96.8Very high94.9Very high17 Ų1732.1 Ų32.18%0.07517%0.165CC..Hα-helixtrans-69.5-36.1-178.9-65.8-17.3000113.4L422 V423 N424 Y430 I490 I491 K494 W558L422-F426 HydrophobicContact CB-CD2 4.49Å; L422-F426 HydrophobicContact CB-CE2 4.02Å; L422-F426 HydrophobicContact CB-CZ 4.23Å; L422-F426 HydrophobicContact CD2-CE1 4.24Å; L422-F426 HydrophobicContact CD2-CE2 4.44Å; L422-F426 HydrophobicContact CD2-CZ 3.82Å; L422-F426 VanDerWaalsContact O-CB 3.32Å; L422-F426 WeakPolarHBondContact O-CB 3.32Å; L422-F426 WeakPolarHBondContact O-CD1 3.42Å; L422-F426 VanDerWaalsContact O-CD2 3.25Å; L422-F426 WeakPolarHBondContact O-CD2 3.31Å; L422-F426 WeakPolarHBondContact O-CG 3.24Å; L422-F426 PolarHBondContact O-N 3.25Å; V423-F426 PolarHBondContact O-N 3.23Å; N424-F426 PolarHBondContact O-N 2.94Å; F426-Y430 PolarHBondContact O-N 3.14Å; F426-I490 HydrophobicContact CE2-CG2 3.61Å; F426-I490 HydrophobicContact CZ-CG2 4.09Å; F426-I491 HydrophobicContact CE1-CG1 4.1Å; F426-I491 HydrophobicContact CZ-CB 4.5Å; F426-I491 HydrophobicContact CZ-CG1 3.84Å; F426-K494 HydrophobicContact CB-CD 4.12Å; F426-K494 HydrophobicContact CB-CG 4.39Å; F426-K494 HydrophobicContact CD1-CB 4.31Å; F426-K494 HydrophobicContact CD1-CD 4.32Å; F426-K494 HydrophobicContact CD1-CG 3.65Å; F426-K494 HydrophobicContact CD2-CB 4.45Å; F426-K494 HydrophobicContact CD2-CD 4.42Å; F426-K494 HydrophobicContact CD2-CG 4.26Å; F426-K494 HydrophobicContact CE1-CB 4.04Å; F426-K494 HydrophobicContact CE1-CG 3.85Å; F426-K494 HydrophobicContact CE2-CB 4.22Å; F426-K494 HydrophobicContact CE2-CG 4.45Å; F426-K494 HydrophobicContact CG-CB 4.49Å; F426-K494 HydrophobicContact CG-CD 4.05Å; F426-K494 HydrophobicContact CG-CG 3.85Å; F426-K494 HydrophobicContact CZ-CB 3.98Å; F426-K494 HydrophobicContact CZ-CG 4.25Å; F426-K494 PolarHBondContact O-NZ 2.96Å; F426-W558 VanDerWaalsContact CB-CD1 3.46Å
427Q96.9Very high94.9Very high0 Ų033.3 Ų33.30%017%0.171CC..Hα-helixtrans-77-40177.4-67.4-174.5-600110.7W396 N400 V423 N424 L429 Y430 V431 Y468 W558W396-Q427 HydrophobicContact CH2-CB 4.08Å; W396-Q427 HydrophobicContact CH2-CG 4.2Å; W396-Q427 HydrophobicContact CZ2-CB 3.52Å; W396-Q427 VanDerWaalsContact CZ2-CD 3.42Å; W396-Q427 HydrophobicContact CZ2-CG 3.46Å; W396-Q427 VanDerWaalsContact CZ2-CG 3.46Å; N400-Q427 PolarHBondContact ND2-OE1 3.24Å; N400-Q427 PolarHBondContact OD1-OE1 3.38Å; V423-Q427 HydrophobicContact CG1-CG 4.44Å; V423-Q427 WeakPolarHBondContact O-CB 3.45Å; V423-Q427 VanDerWaalsContact O-CG 3.29Å; V423-Q427 WeakPolarHBondContact O-CG 3.14Å; V423-Q427 PolarHBondContact O-N 2.71Å; N424-Q427 PolarHBondContact O-N 3.25Å; Q427-L429 PolarHBondContact O-N 3.2Å; Q427-Y430 WeakPolarHBondContact O-CB 3.47Å; Q427-Y430 PolarHBondContact O-N 3.23Å; Q427-V431 PolarHBondContact O-N 3.49Å; Q427-Y468 PolarHBondContact NE2-O 3.36Å; Q427-Y468 PolarHBondContact OE1-O 3.5Å; Q427-W558 HydrophobicContact CG-CD2 4.05Å; Q427-W558 HydrophobicContact CG-CE3 4.3Å; Q427-W558 HydrophobicContact CG-CG 4.26Å
428L96.7Very high94.9Very high71 Ų7133.6 Ų33.637%0.37217%0.172SC..Hα-helixtrans-57-49.2172.217463.5000111.7F302 V397 N424 Y430 V431 V432F302-L428 HydrophobicContact CE2-CD1 4.41Å; F302-L428 HydrophobicContact CZ-CD1 3.77Å; V397-L428 HydrophobicContact CG1-CD1 3.68Å; V397-L428 HydrophobicContact CG2-CD1 4.32Å; N424-L428 WeakPolarHBondContact O-CB 3.47Å; N424-L428 PolarHBondContact O-N 2.85Å; L428-Y430 VanDerWaalsContact C-N 3.25Å; L428-Y430 PolarHBondContact O-N 3.44Å; L428-V431 PolarHBondContact O-N 3.42Å; L428-V432 HydrophobicContact CD1-CG2 3.88Å; L428-V432 HydrophobicContact CG-CG2 4.33Å; L428-V432 WeakPolarHBondContact O-CB 3.05Å; L428-V432 WeakPolarHBondContact O-CG2 3.4Å; L428-V432 PolarHBondContact O-N 3.42Å
429L95.9Very high94.6Very high76 Ų7636.1 Ų36.140%0.39818%0.182SC..Hα-helixtrans-59.2-39.1178.7-177.7152.3000111.5S425 Q427 D433 Y498S425-L429 WeakPolarHBondContact O-CB 3.01Å; S425-L429 PolarHBondContact O-N 2.87Å; Q427-L429 PolarHBondContact O-N 3.2Å; L429-D433 WeakPolarHBondContact O-CB 3.23Å; L429-D433 PolarHBondContact O-N 3.48Å; L429-Y498 HydrophobicContact CD2-CD2 3.68Å; L429-Y498 HydrophobicContact CD2-CE2 3.51Å; L429-Y498 HydrophobicContact CD2-CG 4.29Å
430Y95.3Very high94.3Very high38 Ų3837.7 Ų37.715%0.14920%0.195CC..Hα-helixtrans-64.4-45.9177.1-174.2-91.2000112.3W396 F426 Q427 L428 D433 A434 F501 D551 M554 W558W396-Y430 HydrophobicContact CH2-CD1 4.07Å; W396-Y430 AromaticContact CZ3-CD1 3.87Å; W396-Y430 HydrophobicContact CZ3-CD1 3.87Å; W396-Y430 HydrophobicContact CZ3-CE1 4.42Å; F426-Y430 PolarHBondContact O-N 3.14Å; Q427-Y430 WeakPolarHBondContact O-CB 3.47Å; Q427-Y430 PolarHBondContact O-N 3.23Å; L428-Y430 VanDerWaalsContact C-N 3.25Å; L428-Y430 PolarHBondContact O-N 3.44Å; Y430-D433 PolarHBondContact O-N 3.19Å; Y430-A434 PolarHBondContact O-N 3.03Å; Y430-F501 HydrophobicContact CE2-CZ 4.48Å; Y430-D551 WeakPolarHBondContact CE2-OD1 3.35Å; Y430-D551 PolarHBondContact OH-OD1 3.1Å; Y430-M554 HydrophobicContact CD2-CE 3.95Å; Y430-M554 HydrophobicContact CD2-SD 4.3Å; Y430-M554 HydrophobicContact CE2-CE 3.81Å; Y430-W558 HydrophobicContact CD1-CH2 4.04Å; Y430-W558 HydrophobicContact CD1-CZ2 4.4Å; Y430-W558 AromaticContact CD2-CH2 3.98Å; Y430-W558 HydrophobicContact CD2-CH2 3.98Å; Y430-W558 AromaticContact CD2-CZ2 3.8Å; Y430-W558 HydrophobicContact CD2-CZ2 3.8Å; Y430-W558 HydrophobicContact CE1-CH2 4.36Å; Y430-W558 HydrophobicContact CE2-CH2 4.3Å; Y430-W558 HydrophobicContact CE2-CZ2 4.47Å; Y430-W558 AromaticContact CG-CH2 3.82Å; Y430-W558 HydrophobicContact CG-CH2 3.82Å; Y430-W558 AromaticContact CG-CZ2 3.75Å; Y430-W558 HydrophobicContact CG-CZ2 3.75Å
431V95.6Very high93.9Very high0 Ų039.3 Ų39.30%020%0.204CC..Hα-helixtrans-66.6-44.2178.5173.70000111.6L393 W396 V397 Q427 L428 D433 A434 L435L393-V431 HydrophobicContact CB-CG1 4.04Å; L393-V431 HydrophobicContact CB-CG2 4.48Å; L393-V431 HydrophobicContact CD2-CG2 4.49Å; W396-V431 HydrophobicContact CD2-CG2 4.11Å; W396-V431 HydrophobicContact CE3-CG2 3.22Å; W396-V431 HydrophobicContact CH2-CG2 4.32Å; W396-V431 HydrophobicContact CZ3-CG2 3.35Å; V397-V431 HydrophobicContact CG2-CB 3.64Å; V397-V431 HydrophobicContact CG2-CG1 3.63Å; V397-V431 HydrophobicContact CG2-CG2 3.72Å; Q427-V431 PolarHBondContact O-N 3.49Å; L428-V431 PolarHBondContact O-N 3.42Å; V431-D433 VanDerWaalsContact C-N 3.27Å; V431-D433 PolarHBondContact O-N 3.21Å; V431-A434 WeakPolarHBondContact O-CB 3.28Å; V431-A434 PolarHBondContact O-N 2.85Å; V431-L435 HydrophobicContact CG1-CD1 3.88Å; V431-L435 HydrophobicContact CG1-CG 4.29Å; V431-L435 WeakPolarHBondContact O-CG 3.46Å; V431-L435 PolarHBondContact O-N 2.95Å
432V95.3Very high93.6Very high44 Ų4436.6 Ų36.627%0.26719%0.19SC..Hα-helixtrans-59.2-42.7176.4168.60000110.6F299 F302 L428 L435 W436F299-V432 HydrophobicContact CE2-CG1 4.18Å; F302-V432 HydrophobicContact CE1-CG2 3.94Å; F302-V432 HydrophobicContact CZ-CG2 4.11Å; L428-V432 HydrophobicContact CD1-CG2 3.88Å; L428-V432 HydrophobicContact CG-CG2 4.33Å; L428-V432 WeakPolarHBondContact O-CB 3.05Å; L428-V432 WeakPolarHBondContact O-CG2 3.4Å; L428-V432 PolarHBondContact O-N 3.42Å; V432-L435 PolarHBondContact O-N 3.48Å; V432-W436 VanDerWaalsContact O-CB 3.3Å; V432-W436 WeakPolarHBondContact O-CB 3.33Å; V432-W436 PolarHBondContact O-N 2.77Å
433D94.4Very high93.1Very high12 Ų1238.5 Ų38.56%0.06420%0.202CC..Hα-helixtrans-65.2-37.3177.8-176.948000112.6L429 Y430 V431 N437 Y498 R502L429-D433 WeakPolarHBondContact O-CB 3.23Å; L429-D433 PolarHBondContact O-N 3.48Å; Y430-D433 PolarHBondContact O-N 3.19Å; V431-D433 VanDerWaalsContact C-N 3.27Å; V431-D433 PolarHBondContact O-N 3.21Å; D433-N437 WeakPolarHBondContact O-CB 3.47Å; D433-N437 PolarHBondContact O-N 3.09Å; D433-N437 VanDerWaalsContact O-N 3.14Å; D433-N437 PolarHBondContact O-ND2 3.36Å; D433-N437 PolarHBondContact OD1-ND2 2.88Å; D433-N437 VanDerWaalsContact OD1-ND2 3.12Å; D433-Y498 HydrophobicContact CB-CE2 4.26Å; D433-Y498 PolarHBondContact OD1-OH 2.83Å; D433-Y498 WeakPolarHBondContact OD2-CE2 3.47Å; D433-R502 VanDerWaalsContact CG-CZ 3.45Å; D433-R502 IonicContact OD1-CZ 2.95Å; D433-R502 IonicContact OD1-NE 3.86Å; D433-R502 PolarHBondContact OD1-NE 3.35Å; D433-R502 IonicContact OD1-NH1 3.72Å; D433-R502 IonicContact OD1-NH2 3.21Å; D433-R502 PolarHBondContact OD1-NH2 3.35Å; D433-R502 IonicContact OD2-CZ 3.33Å; D433-R502 VanDerWaalsContact OD2-CZ 3.22Å; D433-R502 IonicContact OD2-NE 3.3Å; D433-R502 PolarHBondContact OD2-NE 3.14Å; D433-R502 VanDerWaalsContact OD2-NE 3.14Å; D433-R502 IonicContact OD2-NH2 2.75Å; D433-R502 PolarHBondContact OD2-NH2 3.45Å
434A92.6Very high92.6Very high29 Ų2940 Ų4024%0.2421%0.211CC..Hα-helixtrans-64.8-45.5172.300000112.1L393 Y430 V431 N437 E438L393-A434 HydrophobicContact CD1-CB 4.28Å; Y430-A434 PolarHBondContact O-N 3.03Å; V431-A434 WeakPolarHBondContact O-CB 3.28Å; V431-A434 PolarHBondContact O-N 2.85Å; A434-N437 CarbonylContact O-C 3.46Å; A434-N437 PolarHBondContact O-N 3.46Å; A434-E438 PolarHBondContact O-N 2.69Å
435L93.3Very high91.9Very high3 Ų339.7 Ų39.72%0.01621%0.21CC..Hα-helixtrans-69.6-32.4178.9-67.5171.9000113F302 L389 I394 V431 V432 N437F302-L435 HydrophobicContact CB-CD1 3.59Å; F302-L435 HydrophobicContact CD2-CD1 3.9Å; F302-L435 HydrophobicContact CG-CD1 3.76Å; L389-L435 HydrophobicContact CD2-CD2 4.49Å; I394-L435 HydrophobicContact CG1-CD1 4.3Å; V431-L435 HydrophobicContact CG1-CD1 3.88Å; V431-L435 HydrophobicContact CG1-CG 4.29Å; V431-L435 WeakPolarHBondContact O-CG 3.46Å; V431-L435 PolarHBondContact O-N 2.95Å; V432-L435 PolarHBondContact O-N 3.48Å; L435-N437 VanDerWaalsContact C-N 3.34Å
436W92Very high91.4Very high174 Ų17437.8 Ų37.866%0.65920%0.195SC*.Hα-helixtrans-69.5-35.8174.8-169.6-91000111.7F299 V432F299-W436 HydrophobicContact CD1-CE3 4.18Å; F299-W436 HydrophobicContact CD1-CZ3 4.06Å; F299-W436 AromaticContact CD2-CE3 3.92Å; F299-W436 HydrophobicContact CD2-CE3 3.92Å; F299-W436 HydrophobicContact CE1-CE3 4.02Å; F299-W436 AromaticContact CE1-CZ3 3.64Å; F299-W436 HydrophobicContact CE1-CZ3 3.64Å; F299-W436 AromaticContact CE2-CE3 3.77Å; F299-W436 HydrophobicContact CE2-CE3 3.77Å; F299-W436 HydrophobicContact CE2-CZ3 4.17Å; F299-W436 HydrophobicContact CG-CE3 4.12Å; F299-W436 HydrophobicContact CG-CZ3 4.47Å; F299-W436 AromaticContact CZ-CE3 3.82Å; F299-W436 HydrophobicContact CZ-CE3 3.82Å; F299-W436 AromaticContact CZ-CZ3 3.72Å; F299-W436 HydrophobicContact CZ-CZ3 3.72Å; V432-W436 VanDerWaalsContact O-CB 3.3Å; V432-W436 WeakPolarHBondContact O-CB 3.33Å; V432-W436 PolarHBondContact O-N 2.77Å
437N90.8Very high91Very high48 Ų4837.1 Ų37.126%0.25719%0.192SC..THydrogen-bonded Turntrans-10435.5-178-62.7-88.2000112.5D433 A434 L435 E439 A440 R502D433-N437 WeakPolarHBondContact O-CB 3.47Å; D433-N437 PolarHBondContact O-N 3.09Å; D433-N437 VanDerWaalsContact O-N 3.14Å; D433-N437 PolarHBondContact O-ND2 3.36Å; D433-N437 PolarHBondContact OD1-ND2 2.88Å; D433-N437 VanDerWaalsContact OD1-ND2 3.12Å; A434-N437 CarbonylContact O-C 3.46Å; A434-N437 PolarHBondContact O-N 3.46Å; L435-N437 VanDerWaalsContact C-N 3.34Å; N437-E439 PolarHBondContact O-N 3.13Å; N437-E439 VanDerWaalsContact O-N 3.11Å; N437-A440 VanDerWaalsContact O-CB 3.28Å; N437-A440 WeakPolarHBondContact O-CB 3.5Å; N437-A440 PolarHBondContact O-N 3.27Å; N437-R502 PolarHBondContact ND2-NH1 3.34Å; N437-R502 PolarHBondContact ND2-NH2 3.04Å; N437-R502 PolarHBondContact OD1-NH1 3.17Å
438E91.1Very high90.4Very high8 Ų839.5 Ų39.54%0.03720%0.204CC..Hα-helixtrans-53.7-34.2-175.5-173.4170.2-151.600113.8L296 N297 G298 Y385 L389 R390 A434 A440 L441L296-E438 VanDerWaalsContact CA-OE2 3.28Å; L296-E438 WeakPolarHBondContact CA-OE2 3.41Å; L296-E438 WeakPolarHBondContact CB-OE2 3.38Å; L296-E438 HydrophobicContact CD2-CG 4.01Å; N297-E438 PolarHBondContact N-OE2 3.41Å; G298-E438 PolarHBondContact N-OE2 3.4Å; Y385-E438 HydrophobicContact CE2-CG 4.42Å; Y385-E438 WeakPolarHBondContact OH-CG 3.4Å; Y385-E438 PolarHBondContact OH-OE1 3.36Å; L389-E438 HydrophobicContact CD1-CG 3.66Å; L389-E438 WeakPolarHBondContact CD1-OE1 3.48Å; R390-E438 IonicContact CZ-OE1 3.08Å; R390-E438 IonicContact NH1-OE1 2.69Å; R390-E438 PolarHBondContact NH1-OE1 3.05Å; R390-E438 IonicContact NH2-OE1 2.62Å; R390-E438 PolarHBondContact NH2-OE1 3.17Å; R390-E438 IonicContact NH2-OE2 3.81Å; A434-E438 PolarHBondContact O-N 2.69Å; E438-A440 PolarHBondContact O-N 3.39Å; E438-L441 WeakPolarHBondContact O-CB 3.45Å; E438-L441 PolarHBondContact O-N 2.77Å; E438-L441 VanDerWaalsContact O-N 3.16Å
439E89.2Confident89.8Confident88 Ų8839.6 Ų39.641%0.41120%0.203SC..Hα-helixtrans-59.9-30177.6-172.6169.915500112.5K279 V281 L296 N437 L441 L442K279-E439 IonicContact NZ-OE2 2.68Å; K279-E439 PolarHBondContact NZ-OE2 2.88Å; V281-E439 HydrophobicContact CG1-CG 4.04Å; L296-E439 HydrophobicContact CD1-CB 3.91Å; L296-E439 HydrophobicContact CD1-CG 4.49Å; N437-E439 PolarHBondContact O-N 3.13Å; N437-E439 VanDerWaalsContact O-N 3.11Å; E439-L441 VanDerWaalsContact C-N 3.28Å; E439-L441 PolarHBondContact O-N 3.48Å; E439-L442 PolarHBondContact O-N 3.44Å
440A86.8Confident89.3Confident33 Ų3336.2 Ų36.227%0.27319%0.185SC..Hα-helixtrans-67.9-29.2-179.900000112.5N437 E438 L442 T443N437-A440 VanDerWaalsContact O-CB 3.28Å; N437-A440 WeakPolarHBondContact O-CB 3.5Å; N437-A440 PolarHBondContact O-N 3.27Å; E438-A440 PolarHBondContact O-N 3.39Å; A440-L442 VanDerWaalsContact C-N 3.3Å; A440-L442 PolarHBondContact O-N 3.33Å; A440-T443 PolarHBondContact O-N 2.97Å; A440-T443 VanDerWaalsContact O-N 3.13Å; A440-T443 PolarHBondContact O-OG1 3.42Å
441L87.6Confident89Confident35 Ų3534.4 Ų34.418%0.18318%0.178CC..Hα-helixtrans-64.4-34.6-178.9-167.577000112.4Y385 E388 L389 E438 E439 T443 T444Y385-L441 HydrophobicContact CD2-CD2 4.23Å; Y385-L441 HydrophobicContact CE2-CD2 4.24Å; E388-L441 HydrophobicContact CG-CD1 4.49Å; E388-L441 HydrophobicContact CG-CD2 4.07Å; E388-L441 WeakPolarHBondContact OE1-CD1 3.13Å; L389-L441 HydrophobicContact CD1-CD2 3.39Å; L389-L441 HydrophobicContact CD2-CD2 3.8Å; L389-L441 HydrophobicContact CG-CD2 3.37Å; E438-L441 WeakPolarHBondContact O-CB 3.45Å; E438-L441 PolarHBondContact O-N 2.77Å; E438-L441 VanDerWaalsContact O-N 3.16Å; E439-L441 VanDerWaalsContact C-N 3.28Å; E439-L441 PolarHBondContact O-N 3.48Å; L441-T443 PolarHBondContact O-N 3.04Å; L441-T444 HydrophobicContact CD1-CG2 4.21Å; L441-T444 HydrophobicContact CG-CG2 4.47Å; L441-T444 VanDerWaalsContact O-CB 3.3Å; L441-T444 WeakPolarHBondContact O-CB 3.3Å; L441-T444 WeakPolarHBondContact O-CG2 3.1Å; L441-T444 PolarHBondContact O-N 3.19Å
442L88.8Confident88.9Confident4 Ų434.5 Ų34.52%0.02118%0.178CC..THydrogen-bonded Turntrans-60-13.6177.3-59.9179.5000113.1V281 Y294 L296 Y385 E439 A440V281-L442 HydrophobicContact CG1-CD1 4.36Å; Y294-L442 HydrophobicContact CD1-CD2 3.74Å; Y294-L442 HydrophobicContact CD2-CD1 4.02Å; Y294-L442 HydrophobicContact CD2-CD2 3.72Å; Y294-L442 HydrophobicContact CE1-CD2 3.98Å; Y294-L442 HydrophobicContact CE2-CD2 3.99Å; Y294-L442 HydrophobicContact CG-CD1 4.19Å; Y294-L442 HydrophobicContact CG-CD2 3.6Å; L296-L442 HydrophobicContact CD2-CD1 4.42Å; Y385-L442 HydrophobicContact CD2-CD2 3.85Å; Y385-L442 HydrophobicContact CE2-CD2 3.71Å; E439-L442 PolarHBondContact O-N 3.44Å; A440-L442 VanDerWaalsContact C-N 3.3Å; A440-L442 PolarHBondContact O-N 3.33Å
443T85.9Confident88.8Confident51 Ų5132.5 Ų32.531%0.31317%0.166SC..THydrogen-bonded Turntrans-102.32.1177.573.60000114.3T284 A440 L441 I448T284-T443 HydrophobicContact CG2-CG2 4.47Å; A440-T443 PolarHBondContact O-N 2.97Å; A440-T443 VanDerWaalsContact O-N 3.13Å; A440-T443 PolarHBondContact O-OG1 3.42Å; L441-T443 PolarHBondContact O-N 3.04Å; T443-I448 WeakPolarHBondContact O-CD1 3.32Å
444T85.9Confident88.8Confident32 Ų3232.1 Ų32.120%0.19616%0.164CC..SBendtrans-78.1157.6-177.4-145.10000111.7L441 D446 I447 I448 R583L441-T444 HydrophobicContact CD1-CG2 4.21Å; L441-T444 HydrophobicContact CG-CG2 4.47Å; L441-T444 VanDerWaalsContact O-CB 3.3Å; L441-T444 WeakPolarHBondContact O-CB 3.3Å; L441-T444 WeakPolarHBondContact O-CG2 3.1Å; L441-T444 PolarHBondContact O-N 3.19Å; T444-D446 VanDerWaalsContact C-N 3.3Å; T444-D446 HydrophobicContact CG2-CB 3.78Å; T444-D446 PolarHBondContact O-N 3.19Å; T444-I447 HydrophobicContact CG2-CB 4.33Å; T444-I447 HydrophobicContact CG2-CG1 4.1Å; T444-I447 PolarHBondContact O-N 3.45Å; T444-I448 VanDerWaalsContact O-CG1 3.32Å; T444-I448 WeakPolarHBondContact O-CG1 3.35Å; T444-I448 PolarHBondContact O-N 3.23Å; T444-I448 VanDerWaalsContact O-N 3.14Å; T444-R583 PolarHBondContact OG1-NH2 3.28Å; T444-R583 VanDerWaalsContact OG1-NH2 3.09Å
445M83.3Confident88.8Confident12 Ų1233 Ų336%0.05916%0.164CC..Hα-helixtrans-59.2-43-179.6-176.5177.6-173.700111.9I447 I448 H449 D450 R586 H590M445-I447 VanDerWaalsContact C-N 3.33Å; M445-I447 PolarHBondContact O-N 2.96Å; M445-I448 PolarHBondContact O-N 3.37Å; M445-H449 HydrophobicContact CE-CB 4.44Å; M445-H449 HydrophobicContact CG-CB 4.15Å; M445-H449 PolarHBondContact O-N 3.29Å; M445-D450 PolarHBondContact O-N 2.91Å; M445-R586 HydrophobicContact CE-CB 4.19Å; M445-R586 HydrophobicContact SD-CB 4.39Å; M445-H590 WeakPolarHBondContact CE-CD2 3.45Å; M445-H590 WeakPolarHBondContact CE-NE2 3.5Å
446D85.7Confident88.8Confident19 Ų1933.6 Ų33.610%0.10217%0.167CC..Hα-helixtrans-54-49.7-179.6-49.2-51.5000110K384 T444 L456 R583K384-D446 WeakPolarHBondContact CE-O 3.47Å; K384-D446 PolarHBondContact NZ-O 3.29Å; T444-D446 VanDerWaalsContact C-N 3.3Å; T444-D446 HydrophobicContact CG2-CB 3.78Å; T444-D446 PolarHBondContact O-N 3.19Å; D446-L456 HydrophobicContact CB-CD1 4.45Å; D446-L456 HydrophobicContact CB-CD2 4.38Å; D446-R583 IonicContact OD1-NH1 2.66Å; D446-R583 PolarHBondContact OD1-NH1 3.05Å; D446-R583 IonicContact OD1-NH2 3.65Å; D446-R583 IonicContact OD2-CZ 3.2Å; D446-R583 VanDerWaalsContact OD2-CZ 3.31Å; D446-R583 IonicContact OD2-NH1 3.31Å; D446-R583 PolarHBondContact OD2-NH1 3.08Å; D446-R583 IonicContact OD2-NH2 3.37Å; D446-R583 PolarHBondContact OD2-NH2 2.91Å
447I87.2Confident89Confident3 Ų325.3 Ų25.32%0.01514%0.135CC..Hα-helixtrans-67.5-43.3177.1-65.5-64.6000113.7K384 E388 T444 M445K384-I447 HydrophobicContact CD-CD1 4.08Å; K384-I447 HydrophobicContact CG-CD1 4.11Å; K384-I447 PolarHBondContact NZ-O 3.45Å; E388-I447 WeakPolarHBondContact OE2-CD1 3.44Å; E388-I447 WeakPolarHBondContact OE2-CG1 3.34Å; T444-I447 HydrophobicContact CG2-CB 4.33Å; T444-I447 HydrophobicContact CG2-CG1 4.1Å; T444-I447 PolarHBondContact O-N 3.45Å; M445-I447 VanDerWaalsContact C-N 3.33Å; M445-I447 PolarHBondContact O-N 2.96Å
448I86.3Confident89.3Confident49 Ų4923.1 Ų23.125%0.25112%0.124SC..Hα-helixtrans-83.8-39.5-168.7-60.3173000113.3T284 L374 T443 T444 M445T284-I448 HydrophobicContact CG2-CD1 3.79Å; T284-I448 HydrophobicContact CG2-CG1 4.16Å; L374-I448 WeakPolarHBondContact CD1-O 3.34Å; T443-I448 WeakPolarHBondContact O-CD1 3.32Å; T444-I448 VanDerWaalsContact O-CG1 3.32Å; T444-I448 WeakPolarHBondContact O-CG1 3.35Å; T444-I448 PolarHBondContact O-N 3.23Å; T444-I448 VanDerWaalsContact O-N 3.14Å; M445-I448 PolarHBondContact O-N 3.37Å
449H82.1Confident89.4Confident74 Ų7423.8 Ų23.834%0.34313%0.132SC..THydrogen-bonded Turntrans-112.8-44.5-165.8-73.2-64.8000113P358 M445P358-H449 WeakPolarHBondContact CD-O 3.32Å; M445-H449 HydrophobicContact CE-CB 4.44Å; M445-H449 HydrophobicContact CG-CB 4.15Å; M445-H449 PolarHBondContact O-N 3.29Å
450D86.2Confident89.7Confident4 Ų420.5 Ų20.52%0.02112%0.118CC..SBendtrans-82.1145-173.8-66.8-15.3000110.3L374 K384 M445 L456 R586L374-D450 WeakPolarHBondContact CD1-O 3.19Å; K384-D450 PolarHBondContact NZ-O 2.89Å; M445-D450 PolarHBondContact O-N 2.91Å; D450-L456 HydrophobicContact CB-CD1 4.45Å; D450-R586 IonicContact OD1-CZ 3.02Å; D450-R586 IonicContact OD1-NH1 3.96Å; D450-R586 IonicContact OD1-NH2 3.88Å; D450-R586 PolarHBondContact OD1-NH2 3.23Å; D450-R586 IonicContact OD2-CZ 3.69Å; D450-R586 IonicContact OD2-NH1 3.1Å; D450-R586 PolarHBondContact OD2-NH1 3.28Å; D450-R586 IonicContact OD2-NH2 2.95Å; D450-R586 PolarHBondContact OD2-NH2 2.7Å
451G89.4Confident90.1Very high0 Ų019.1 Ų19.10%011%0.106CC..  trans-75175.6173.800000111.7I370 G371 E373 L456I370-G451 CarbonylContact O-C 3.43Å; I370-G451 WeakPolarHBondContact O-CA 3.32Å; G371-G451 WeakPolarHBondContact O-CA 3.17Å; E373-G451 WeakPolarHBondContact O-CA 3.26Å; G451-L456 WeakPolarHBondContact O-CD1 3.41Å
452F92.9Very high90.5Very high3 Ų317.4 Ų17.41%0.01310%0.097CC..SBendtrans-102.595.7169.7-166.6-126.3000110.3L340 L344 E373 P376 L383 K384 C387 L456 A457L340-F452 HydrophobicContact CD2-CE1 4.41Å; L340-F452 HydrophobicContact CD2-CZ 4.47Å; L344-F452 HydrophobicContact CD1-CD1 3.28Å; L344-F452 HydrophobicContact CD1-CE1 3.47Å; L344-F452 VanDerWaalsContact CD1-CE1 3.47Å; L344-F452 HydrophobicContact CD1-CG 4.13Å; L344-F452 HydrophobicContact CD1-CZ 4.42Å; L344-F452 HydrophobicContact CD2-CD1 3.85Å; L344-F452 HydrophobicContact CD2-CE1 4.33Å; L344-F452 HydrophobicContact CG-CD1 4.2Å; E373-F452 PolarHBondContact O-N 3.17Å; E373-F452 VanDerWaalsContact O-N 3.11Å; P376-F452 HydrophobicContact CG-CB 3.71Å; P376-F452 HydrophobicContact CG-CD1 3.66Å; P376-F452 HydrophobicContact CG-CG 4.13Å; L383-F452 HydrophobicContact CB-CD1 4.12Å; L383-F452 HydrophobicContact CB-CE1 3.87Å; K384-F452 HydrophobicContact CB-CB 3.9Å; K384-F452 HydrophobicContact CB-CD1 4.2Å; K384-F452 HydrophobicContact CB-CD2 3.82Å; K384-F452 HydrophobicContact CB-CE2 4.42Å; K384-F452 HydrophobicContact CB-CG 3.72Å; K384-F452 HydrophobicContact CD-CB 4.19Å; K384-F452 HydrophobicContact CG-CB 4.04Å; K384-F452 HydrophobicContact CG-CD2 3.71Å; K384-F452 HydrophobicContact CG-CE2 4.43Å; K384-F452 HydrophobicContact CG-CG 4Å; C387-F452 HydrophobicContact CB-CE2 4.15Å; C387-F452 HydrophobicContact CB-CZ 3.69Å; F452-L456 HydrophobicContact CD2-CB 3.78Å; F452-L456 HydrophobicContact CD2-CD1 4.33Å; F452-L456 HydrophobicContact CE2-CB 4Å; F452-A457 HydrophobicContact CE2-CB 4.28Å; F452-A457 HydrophobicContact CZ-CB 4.12Å
453G93.3Very high90.8Very high2 Ų217.7 Ų17.72%0.02110%0.098CC..SBendtrans-125-160.2178.100000112.5F369 I370 M455 A457F369-G453 CarbonylContact O-C 3.48Å; I370-G453 PolarHBondContact O-N 2.9Å; G453-M455 VanDerWaalsContact C-N 3.3Å; G453-M455 PolarHBondContact O-N 3.42Å; G453-A457 VanDerWaalsContact O-CB 3.29Å; G453-A457 WeakPolarHBondContact O-CB 3.21Å; G453-A457 PolarHBondContact O-N 2.89Å
454F94.7Very high91.2Very high4 Ų416.2 Ų16.22%0.0189%0.089CC..Hα-helixtrans-57.9-39.2178.9179.9-93.2000113.4M219 P223 V338 S341 F368 F369 L456 A457 F458M219-F454 HydrophobicContact CB-CD1 4.48Å; M219-F454 HydrophobicContact CB-CE1 4.31Å; M219-F454 HydrophobicContact CG-CD1 3.8Å; M219-F454 HydrophobicContact CG-CE1 3.75Å; M219-F454 HydrophobicContact CG-CG 4.3Å; M219-F454 HydrophobicContact CG-CZ 4.21Å; P223-F454 HydrophobicContact CG-CZ 4.32Å; V338-F454 HydrophobicContact CG2-CD2 4.47Å; V338-F454 HydrophobicContact CG2-CE2 3.82Å; S341-F454 WeakPolarHBondContact OG-CA 3.29Å; S341-F454 PolarHBondContact OG-N 2.83Å; F368-F454 HydrophobicContact CD1-CB 4.22Å; F368-F454 HydrophobicContact CE1-CB 3.84Å; F368-F454 HydrophobicContact CE1-CD2 4.36Å; F368-F454 HydrophobicContact CE1-CG 4.26Å; F368-F454 PolarHBondContact O-N 3.46Å; F369-F454 HydrophobicContact CD2-CD1 4.06Å; F369-F454 HydrophobicContact CE2-CD1 4.32Å; F369-F454 PolarHBondContact O-N 3.34Å; F369-F454 VanDerWaalsContact O-N 3.1Å; F454-L456 PolarHBondContact O-N 2.87Å; F454-A457 PolarHBondContact O-N 3.31Å; F454-F458 HydrophobicContact CD1-CB 4.3Å; F454-F458 HydrophobicContact CE1-CB 3.96Å; F454-F458 HydrophobicContact CE1-CD2 4.49Å; F454-F458 HydrophobicContact CE1-CG 4.1Å; F454-F458 HydrophobicContact CE2-CB 4.19Å; F454-F458 HydrophobicContact CE2-CD2 4.29Å; F454-F458 HydrophobicContact CE2-CG 4.48Å; F454-F458 HydrophobicContact CZ-CB 3.92Å; F454-F458 AromaticContact CZ-CD2 3.83Å; F454-F458 HydrophobicContact CZ-CD2 3.83Å; F454-F458 AromaticContact CZ-CG 3.88Å; F454-F458 HydrophobicContact CZ-CG 3.88Å; F454-F458 WeakPolarHBondContact O-CB 3.22Å; F454-F458 PolarHBondContact O-N 2.95Å
455M93.4Very high91.6Very high47 Ų4715 Ų1523%0.2328%0.081CC..Hα-helixtrans-57.5-54.4-178-177.2-172.4162.400112.1F209 F369 I370 G453 G459F209-M455 HydrophobicContact CE1-CE 3.69Å; F209-M455 HydrophobicContact CE1-SD 3.94Å; F209-M455 HydrophobicContact CE2-CE 4.45Å; F209-M455 HydrophobicContact CE2-SD 3.97Å; F209-M455 HydrophobicContact CZ-CE 3.48Å; F209-M455 VanDerWaalsContact CZ-CE 3.48Å; F209-M455 HydrophobicContact CZ-SD 3.53Å; F209-M455 VanDerWaalsContact CZ-SD 3.53Å; F369-M455 HydrophobicContact CD1-CB 4.16Å; F369-M455 HydrophobicContact CD2-CB 4.15Å; F369-M455 HydrophobicContact CE1-CB 3.8Å; F369-M455 HydrophobicContact CE1-CG 3.95Å; F369-M455 HydrophobicContact CE1-SD 3.75Å; F369-M455 HydrophobicContact CE2-CB 3.79Å; F369-M455 HydrophobicContact CE2-CG 4.22Å; F369-M455 HydrophobicContact CG-CB 4.32Å; F369-M455 HydrophobicContact CZ-CB 3.6Å; F369-M455 HydrophobicContact CZ-CG 3.63Å; F369-M455 HydrophobicContact CZ-SD 3.96Å; F369-M455 WeakPolarHBondContact O-CB 3.43Å; F369-M455 PolarHBondContact O-N 3.13Å; I370-M455 HydrophobicContact CD1-SD 4.01Å; G453-M455 VanDerWaalsContact C-N 3.3Å; G453-M455 PolarHBondContact O-N 3.42Å; M455-G459 PolarHBondContact O-N 3.48Å
456L93.4Very high92.1Very high15 Ų1514.7 Ų14.78%0.0798%0.08CC..Hα-helixtrans-71.7-43179.8-67.8-172000111.3K384 D446 D450 G451 F452 F454 F458 G459 D460K384-L456 HydrophobicContact CG-CD1 4.49Å; D446-L456 HydrophobicContact CB-CD1 4.45Å; D446-L456 HydrophobicContact CB-CD2 4.38Å; D450-L456 HydrophobicContact CB-CD1 4.45Å; G451-L456 WeakPolarHBondContact O-CD1 3.41Å; F452-L456 HydrophobicContact CD2-CB 3.78Å; F452-L456 HydrophobicContact CD2-CD1 4.33Å; F452-L456 HydrophobicContact CE2-CB 4Å; F454-L456 PolarHBondContact O-N 2.87Å; L456-F458 PolarHBondContact O-N 3.28Å; L456-G459 PolarHBondContact O-N 3.19Å; L456-D460 VanDerWaalsContact O-CB 3.32Å; L456-D460 WeakPolarHBondContact O-CB 3.17Å; L456-D460 PolarHBondContact O-N 3.31Å
457A95.4Very high92.5Very high0 Ų013.9 Ų13.90%08%0.075CC..Hα-helixtrans-60.1-45.6179.200000112.4C337 L340 F452 G453 F454 L461C337-A457 PolarHBondContact SG-O 2.9Å; C337-A457 VanDerWaalsContact SG-O 3.39Å; L340-A457 HydrophobicContact CD2-CB 4.38Å; F452-A457 HydrophobicContact CE2-CB 4.28Å; F452-A457 HydrophobicContact CZ-CB 4.12Å; G453-A457 VanDerWaalsContact O-CB 3.29Å; G453-A457 WeakPolarHBondContact O-CB 3.21Å; G453-A457 PolarHBondContact O-N 2.89Å; F454-A457 PolarHBondContact O-N 3.31Å; A457-L461 VanDerWaalsContact O-CB 3.31Å; A457-L461 WeakPolarHBondContact O-CB 3.44Å; A457-L461 WeakPolarHBondContact O-CG 3.19Å; A457-L461 PolarHBondContact O-N 3.5Å; A457-L461 VanDerWaalsContact O-N 3.08Å
458F95.9Very high92.8Very high3 Ų314.9 Ų14.91%0.0138%0.079CC..Hα-helixtrans-68.2-42175.7-176.7-97000111.6L222 P223 L226 T334 F454 L456 D460 V462 W463L222-F458 HydrophobicContact CB-CE1 3.8Å; L222-F458 HydrophobicContact CB-CZ 4.38Å; L222-F458 HydrophobicContact CD1-CD1 4.48Å; L222-F458 HydrophobicContact CD1-CE1 4.39Å; P223-F458 HydrophobicContact CB-CE2 4.22Å; P223-F458 HydrophobicContact CB-CZ 4.25Å; P223-F458 HydrophobicContact CG-CE2 3.8Å; P223-F458 HydrophobicContact CG-CZ 3.88Å; L226-F458 HydrophobicContact CD2-CZ 4.35Å; T334-F458 HydrophobicContact CG2-CE2 4.16Å; F454-F458 HydrophobicContact CD1-CB 4.3Å; F454-F458 HydrophobicContact CE1-CB 3.96Å; F454-F458 HydrophobicContact CE1-CD2 4.49Å; F454-F458 HydrophobicContact CE1-CG 4.1Å; F454-F458 HydrophobicContact CE2-CB 4.19Å; F454-F458 HydrophobicContact CE2-CD2 4.29Å; F454-F458 HydrophobicContact CE2-CG 4.48Å; F454-F458 HydrophobicContact CZ-CB 3.92Å; F454-F458 AromaticContact CZ-CD2 3.83Å; F454-F458 HydrophobicContact CZ-CD2 3.83Å; F454-F458 AromaticContact CZ-CG 3.88Å; F454-F458 HydrophobicContact CZ-CG 3.88Å; F454-F458 WeakPolarHBondContact O-CB 3.22Å; F454-F458 PolarHBondContact O-N 2.95Å; L456-F458 PolarHBondContact O-N 3.28Å; F458-D460 PolarHBondContact O-N 2.95Å; F458-V462 HydrophobicContact CD2-CB 3.87Å; F458-V462 HydrophobicContact CD2-CG1 4.26Å; F458-V462 HydrophobicContact CD2-CG2 3.89Å; F458-V462 HydrophobicContact CE2-CB 3.78Å; F458-V462 HydrophobicContact CE2-CG1 3.65Å; F458-V462 HydrophobicContact CE2-CG2 4.06Å; F458-V462 HydrophobicContact CG-CB 4.4Å; F458-V462 HydrophobicContact CZ-CB 4.25Å; F458-V462 HydrophobicContact CZ-CG1 3.95Å; F458-V462 WeakPolarHBondContact O-CA 3.48Å; F458-V462 WeakPolarHBondContact O-CB 3.42Å; F458-V462 PolarHBondContact O-N 3.37Å; F458-W463 AromaticContact CE1-CE3 3.77Å; F458-W463 HydrophobicContact CE1-CE3 3.77Å; F458-W463 HydrophobicContact CE1-CZ3 4.45Å; F458-W463 HydrophobicContact CZ-CE3 4.43Å; F458-W463 PolarHBondContact O-N 2.93Å
459G94.3Very high93.2Very high21 Ų2112.5 Ų12.522%0.2167%0.067CC..Iπ-helixtrans-54.3-52.5174.100000112.4M455 L456 W463 V464M455-G459 PolarHBondContact O-N 3.48Å; L456-G459 PolarHBondContact O-N 3.19Å; G459-W463 WeakPolarHBondContact O-CB 3.43Å; G459-W463 PolarHBondContact O-N 3.46Å; G459-V464 WeakPolarHBondContact O-CG2 3.39Å; G459-V464 PolarHBondContact O-N 3.42Å
460D94.6Very high93.8Very high20 Ų209 Ų911%0.1075%0.051CC..Iπ-helixtrans-73.1-44.3-173-64.3-23.6000113.1C387 E388 G392 L456 F458 P465C387-D460 HydrophobicContact CB-CB 4.28Å; E388-D460 WeakPolarHBondContact CA-OD2 3.25Å; E388-D460 PolarHBondContact N-OD2 3.02Å; G392-D460 WeakPolarHBondContact CA-O 3.24Å; L456-D460 VanDerWaalsContact O-CB 3.32Å; L456-D460 WeakPolarHBondContact O-CB 3.17Å; L456-D460 PolarHBondContact O-N 3.31Å; F458-D460 PolarHBondContact O-N 2.95Å; D460-P465 WeakPolarHBondContact O-CD 3.45Å
461L95.4Very high94.2Very high3 Ų38.9 Ų8.92%0.0165%0.05CC..Iπ-helixtrans-95.6-19.7-169.6-60.5179.7000114.1F266 F336 C337 L340 C387 P391 A457F266-L461 HydrophobicContact CE2-CD1 4.37Å; F266-L461 HydrophobicContact CE2-CD2 4.32Å; F336-L461 HydrophobicContact CD1-CD1 3.92Å; F336-L461 HydrophobicContact CE1-CD1 3.81Å; C337-L461 WeakPolarHBondContact SG-CB 3.24Å; L340-L461 HydrophobicContact CD2-CD1 3.94Å; C387-L461 HydrophobicContact CB-CD2 4.28Å; P391-L461 HydrophobicContact CB-CD2 3.81Å; P391-L461 HydrophobicContact CG-CD2 3.29Å; A457-L461 VanDerWaalsContact O-CB 3.31Å; A457-L461 WeakPolarHBondContact O-CB 3.44Å; A457-L461 WeakPolarHBondContact O-CG 3.19Å; A457-L461 PolarHBondContact O-N 3.5Å; A457-L461 VanDerWaalsContact O-N 3.08Å
462V95.8Very high94.5Very high0 Ų08.9 Ų8.90%05%0.05CC..Iπ-helixtrans-123.7-52.2-176.4-172.90000110.8L226 A333 C337 F458 F466L226-V462 HydrophobicContact CD2-CG1 3.35Å; A333-V462 HydrophobicContact CB-CG2 3.82Å; C337-V462 HydrophobicContact CB-CG2 4.42Å; C337-V462 VanDerWaalsContact SG-CG2 3.54Å; F458-V462 HydrophobicContact CD2-CB 3.87Å; F458-V462 HydrophobicContact CD2-CG1 4.26Å; F458-V462 HydrophobicContact CD2-CG2 3.89Å; F458-V462 HydrophobicContact CE2-CB 3.78Å; F458-V462 HydrophobicContact CE2-CG1 3.65Å; F458-V462 HydrophobicContact CE2-CG2 4.06Å; F458-V462 HydrophobicContact CG-CB 4.4Å; F458-V462 HydrophobicContact CZ-CB 4.25Å; F458-V462 HydrophobicContact CZ-CG1 3.95Å; F458-V462 WeakPolarHBondContact O-CA 3.48Å; F458-V462 WeakPolarHBondContact O-CB 3.42Å; F458-V462 PolarHBondContact O-N 3.37Å; V462-F466 HydrophobicContact CG1-CD2 4.28Å; V462-F466 WeakPolarHBondContact O-CB 3.34Å; V462-F466 WeakPolarHBondContact O-CD2 3.48Å; V462-F466 PolarHBondContact O-N 3.29Å
463W95.4Very high94.5Very high10 Ų109 Ų94%0.0385%0.05CC..Iπ-helixtrans-67.2-49.8-174.3-163.8-93.8000111.6L222 F225 L226 F458 G459 I467 Y468 F571 Y575L222-W463 HydrophobicContact CB-CZ3 4.21Å; L222-W463 HydrophobicContact CD2-CH2 3.74Å; L222-W463 HydrophobicContact CD2-CZ3 3.75Å; L222-W463 HydrophobicContact CG-CZ3 4.49Å; F225-W463 AromaticContact CD1-CH2 3.91Å; F225-W463 HydrophobicContact CD1-CH2 3.91Å; F225-W463 HydrophobicContact CD1-CZ3 4.47Å; F225-W463 HydrophobicContact CE1-CH2 4.23Å; L226-W463 HydrophobicContact CB-CZ3 4.4Å; F458-W463 AromaticContact CE1-CE3 3.77Å; F458-W463 HydrophobicContact CE1-CE3 3.77Å; F458-W463 HydrophobicContact CE1-CZ3 4.45Å; F458-W463 HydrophobicContact CZ-CE3 4.43Å; F458-W463 PolarHBondContact O-N 2.93Å; G459-W463 WeakPolarHBondContact O-CB 3.43Å; G459-W463 PolarHBondContact O-N 3.46Å; W463-I467 HydrophobicContact CD2-CB 4.4Å; W463-I467 HydrophobicContact CD2-CG1 3.75Å; W463-I467 HydrophobicContact CE3-CG1 3.96Å; W463-I467 HydrophobicContact CG-CB 4.49Å; W463-I467 HydrophobicContact CG-CG1 4.23Å; W463-I467 HydrophobicContact CH2-CG1 4.35Å; W463-I467 HydrophobicContact CZ2-CG1 4.11Å; W463-I467 HydrophobicContact CZ2-CG2 4.45Å; W463-I467 HydrophobicContact CZ3-CG1 4.26Å; W463-I467 VanDerWaalsContact O-CB 3.24Å; W463-I467 WeakPolarHBondContact O-CB 3.38Å; W463-I467 PolarHBondContact O-N 3.15Å; W463-Y468 AromaticContact CD1-CE1 3.96Å; W463-F571 HydrophobicContact CZ2-CE1 4.29Å; W463-F571 HydrophobicContact CZ2-CZ 4.32Å; W463-Y575 AromaticContact CD1-CZ 3.88Å; W463-Y575 AromaticContact CE2-CE2 3.96Å; W463-Y575 AromaticContact CE2-CZ 3.81Å; W463-Y575 AromaticContact CZ2-CD2 3.97Å; W463-Y575 HydrophobicContact CZ2-CD2 3.97Å; W463-Y575 AromaticContact CZ2-CE2 3.85Å; W463-Y575 HydrophobicContact CZ2-CE2 3.85Å; W463-Y575 HydrophobicContact CZ2-CG 4.36Å; W463-Y575 AromaticContact NE1-CD1 3.94Å; W463-Y575 AromaticContact NE1-CE1 3.21Å; W463-Y575 AromaticContact NE1-CE2 3.69Å; W463-Y575 AromaticContact NE1-CZ 3.06Å; W463-Y575 PolarHBondContact NE1-OH 2.82Å; W463-Y575 VanDerWaalsContact NE1-OH 3.15Å
464V94.5Very high94.5Very high20 Ų209.1 Ų9.112%0.1215%0.05CC..Hα-helixtrans-58.8-55.9179.8167.20000111.8L393 G459 F466 Y468L393-V464 HydrophobicContact CD2-CG1 3.9Å; G459-V464 WeakPolarHBondContact O-CG2 3.39Å; G459-V464 PolarHBondContact O-N 3.42Å; V464-F466 VanDerWaalsContact C-N 3.34Å; V464-F466 PolarHBondContact O-N 2.88Å; V464-Y468 HydrophobicContact CG2-CE1 4.18Å; V464-Y468 WeakPolarHBondContact O-CB 3.34Å; V464-Y468 PolarHBondContact O-N 3.16Å; V464-Y468 VanDerWaalsContact O-N 3.1Å
465P94Very high94.5Very high6 Ų69 Ų94%0.0395%0.049CC..Hα-helixtrans-66.9-33-173.1-21.735000113.9I399 D460 S469I399-P465 HydrophobicContact CD1-CB 3.62Å; D460-P465 WeakPolarHBondContact O-CD 3.45Å; P465-S469 WeakPolarHBondContact O-CB 3.5Å; P465-S469 PolarHBondContact O-OG 3.42Å
466F94.4Very high94.4Very high6 Ų66.7 Ų6.73%0.0264%0.038CC..Hα-helixtrans-100.1-32.9-170.6-63.2-91.4000113.9L226 F326 F329 A330 A333 V462 V464 S469L226-F466 HydrophobicContact CD1-CB 4.07Å; F326-F466 HydrophobicContact CD2-CD1 4.15Å; F326-F466 HydrophobicContact CD2-CE1 4.09Å; F326-F466 AromaticContact CE1-CD1 3.97Å; F326-F466 HydrophobicContact CE1-CD1 3.97Å; F326-F466 AromaticContact CE2-CD1 3.52Å; F326-F466 HydrophobicContact CE2-CD1 3.52Å; F326-F466 AromaticContact CE2-CE1 3.78Å; F326-F466 HydrophobicContact CE2-CE1 3.78Å; F326-F466 HydrophobicContact CZ-CB 4.32Å; F326-F466 AromaticContact CZ-CD1 3.44Å; F326-F466 HydrophobicContact CZ-CD1 3.44Å; F326-F466 VanDerWaalsContact CZ-CD1 3.44Å; F326-F466 HydrophobicContact CZ-CE1 4.17Å; F326-F466 HydrophobicContact CZ-CG 4.26Å; F329-F466 VanDerWaalsContact C-CZ 3.48Å; F329-F466 HydrophobicContact CB-CE1 3.89Å; F329-F466 HydrophobicContact CB-CZ 3.91Å; A330-F466 HydrophobicContact CB-CD1 3.71Å; A330-F466 HydrophobicContact CB-CE1 3.7Å; A330-F466 HydrophobicContact CB-CG 4.18Å; A330-F466 HydrophobicContact CB-CZ 4.13Å; A330-F466 VanDerWaalsContact N-CE1 3.35Å; A333-F466 HydrophobicContact CB-CE2 3.91Å; A333-F466 HydrophobicContact CB-CZ 4.31Å; V462-F466 HydrophobicContact CG1-CD2 4.28Å; V462-F466 WeakPolarHBondContact O-CB 3.34Å; V462-F466 WeakPolarHBondContact O-CD2 3.48Å; V462-F466 PolarHBondContact O-N 3.29Å; V464-F466 VanDerWaalsContact C-N 3.34Å; V464-F466 PolarHBondContact O-N 2.88Å; F466-S469 PolarHBondContact O-OG 3.21Å
467I94Very high94.2Very high1 Ų18 Ų81%0.0055%0.049CC..Hα-helixtrans-85.7-33174.5-63.7-65.6000111.4L226 L229 W463 S469 F470 F571 Y572L226-I467 HydrophobicContact CD1-CD1 3.34Å; L226-I467 HydrophobicContact CD1-CG1 3.62Å; L229-I467 HydrophobicContact CD1-CD1 3.97Å; W463-I467 HydrophobicContact CD2-CB 4.4Å; W463-I467 HydrophobicContact CD2-CG1 3.75Å; W463-I467 HydrophobicContact CE3-CG1 3.96Å; W463-I467 HydrophobicContact CG-CB 4.49Å; W463-I467 HydrophobicContact CG-CG1 4.23Å; W463-I467 HydrophobicContact CH2-CG1 4.35Å; W463-I467 HydrophobicContact CZ2-CG1 4.11Å; W463-I467 HydrophobicContact CZ2-CG2 4.45Å; W463-I467 HydrophobicContact CZ3-CG1 4.26Å; W463-I467 VanDerWaalsContact O-CB 3.24Å; W463-I467 WeakPolarHBondContact O-CB 3.38Å; W463-I467 PolarHBondContact O-N 3.15Å; I467-S469 VanDerWaalsContact C-N 3.32Å; I467-F470 WeakPolarHBondContact O-CB 3.21Å; I467-F470 PolarHBondContact O-N 2.89Å; I467-F571 HydrophobicContact CG2-CE1 4.21Å; I467-Y572 HydrophobicContact CG2-CD2 4.44Å
468Y93.8Very high93.9Very high24 Ų249.5 Ų9.59%0.0946%0.056CC..THydrogen-bonded Turntrans-79.5-21.5-178-66.836.9000111.4W396 Q427 W463 V464 F470 Q471 Y572 Y575W396-Y468 VanDerWaalsContact CE2-CB 3.46Å; W396-Y468 HydrophobicContact CE3-CD2 4.39Å; W396-Y468 AromaticContact CH2-CD2 3.87Å; W396-Y468 HydrophobicContact CH2-CD2 3.87Å; W396-Y468 HydrophobicContact CZ2-CD2 4.05Å; W396-Y468 HydrophobicContact CZ2-CG 4.41Å; W396-Y468 HydrophobicContact CZ3-CD2 4.03Å; W396-Y468 PolarHBondContact NE1-O 3.41Å; W396-Y468 VanDerWaalsContact NE1-O 3.15Å; Q427-Y468 PolarHBondContact NE2-O 3.36Å; Q427-Y468 PolarHBondContact OE1-O 3.5Å; W463-Y468 AromaticContact CD1-CE1 3.96Å; V464-Y468 HydrophobicContact CG2-CE1 4.18Å; V464-Y468 WeakPolarHBondContact O-CB 3.34Å; V464-Y468 PolarHBondContact O-N 3.16Å; V464-Y468 VanDerWaalsContact O-N 3.1Å; Y468-F470 PolarHBondContact O-N 2.74Å; Y468-Q471 PolarHBondContact O-OE1 3.11Å; Y468-Q471 VanDerWaalsContact O-OE1 3.13Å; Y468-Y572 HydrophobicContact CD1-CD2 4.32Å; Y468-Y572 AromaticContact CD1-CE2 3.69Å; Y468-Y572 HydrophobicContact CD1-CE2 3.69Å; Y468-Y572 AromaticContact CD2-CE2 3.8Å; Y468-Y572 HydrophobicContact CD2-CE2 3.8Å; Y468-Y572 AromaticContact CE1-CE2 3.74Å; Y468-Y572 HydrophobicContact CE1-CE2 3.74Å; Y468-Y572 AromaticContact CE2-CE2 3.85Å; Y468-Y572 HydrophobicContact CE2-CE2 3.85Å; Y468-Y572 WeakPolarHBondContact CE2-OH 3.27Å; Y468-Y572 HydrophobicContact CG-CD2 4.49Å; Y468-Y572 AromaticContact CG-CE2 3.7Å; Y468-Y572 HydrophobicContact CG-CE2 3.7Å; Y468-Y572 AromaticContact CZ-CE2 3.8Å; Y468-Y575 HydrophobicContact CE1-CE1 4.37Å
469S94.8Very high93.4Very high0 Ų011.6 Ų11.60%07%0.069CC..THydrogen-bonded Turntrans-82.64.6169.270.10000113.1N400 P465 F466 I467 Q471 A472 F473N400-S469 WeakPolarHBondContact OD1-CA 3.49Å; N400-S469 VanDerWaalsContact OD1-CB 3.31Å; N400-S469 WeakPolarHBondContact OD1-CB 3.42Å; P465-S469 WeakPolarHBondContact O-CB 3.5Å; P465-S469 PolarHBondContact O-OG 3.42Å; F466-S469 PolarHBondContact O-OG 3.21Å; I467-S469 VanDerWaalsContact C-N 3.32Å; S469-Q471 VanDerWaalsContact C-N 3.34Å; S469-Q471 PolarHBondContact O-N 3.33Å; S469-A472 PolarHBondContact O-N 3.33Å; S469-A472 VanDerWaalsContact O-N 3.15Å; S469-F473 PolarHBondContact O-N 3.23Å
470F93.4Very high93.1Very high1 Ų112.4 Ų12.40%0.0047%0.069CC..Hα-helixtrans-65.7-35.2-168.5-171.1-98.7000113L229 L230 C233 I467 Y468 F473 Y474 L568L229-F470 HydrophobicContact CB-CE2 4.2Å; L230-F470 HydrophobicContact CD2-CD2 3.98Å; L230-F470 HydrophobicContact CD2-CE2 4.12Å; C233-F470 HydrophobicContact CB-CE2 3.78Å; C233-F470 HydrophobicContact CB-CZ 3.68Å; I467-F470 WeakPolarHBondContact O-CB 3.21Å; I467-F470 PolarHBondContact O-N 2.89Å; Y468-F470 PolarHBondContact O-N 2.74Å; F470-F473 PolarHBondContact O-N 3.3Å; F470-Y474 WeakPolarHBondContact O-CB 3.31Å; F470-Y474 PolarHBondContact O-N 2.95Å; F470-L568 HydrophobicContact CE1-CB 4.23Å; F470-L568 HydrophobicContact CE1-CD2 4.03Å; F470-L568 HydrophobicContact CE1-CG 3.6Å; F470-L568 WeakPolarHBondContact CE1-O 3.47Å; F470-L568 HydrophobicContact CZ-CD1 4.37Å; F470-L568 HydrophobicContact CZ-CD2 3.55Å; F470-L568 HydrophobicContact CZ-CG 3.5Å
471Q94.9Very high92.8Very high0 Ų017.2 Ų17.20%09%0.091CC..Hα-helixtrans-62.9-42.7173.9-63.586.1-6.300111.6V423 Y468 S469 L475 S559 P569V423-Q471 HydrophobicContact CG1-CB 3.91Å; V423-Q471 HydrophobicContact CG2-CB 4.37Å; Y468-Q471 PolarHBondContact O-OE1 3.11Å; Y468-Q471 VanDerWaalsContact O-OE1 3.13Å; S469-Q471 VanDerWaalsContact C-N 3.34Å; S469-Q471 PolarHBondContact O-N 3.33Å; Q471-L475 WeakPolarHBondContact O-CG 3.17Å; Q471-L475 PolarHBondContact O-N 2.84Å; Q471-L475 VanDerWaalsContact O-N 3.09Å; Q471-S559 PolarHBondContact NE2-OG 2.68Å; Q471-P569 HydrophobicContact CG-CB 4.44Å
472A95.3Very high92.6Very high0 Ų017.9 Ų17.90%010%0.095CC..Hα-helixtrans-66.6-43.8175.700000110.6M403 M420 V423 S469 Y474 L475 V476M403-A472 HydrophobicContact CB-CB 3.82Å; M403-A472 HydrophobicContact CG-CB 4.04Å; M420-A472 WeakPolarHBondContact CE-O 3.35Å; M420-A472 HydrophobicContact SD-CB 3.96Å; V423-A472 HydrophobicContact CG1-CB 4.37Å; S469-A472 PolarHBondContact O-N 3.33Å; S469-A472 VanDerWaalsContact O-N 3.15Å; A472-Y474 VanDerWaalsContact C-N 3.33Å; A472-Y474 PolarHBondContact O-N 3.05Å; A472-L475 PolarHBondContact O-N 3.5Å; A472-V476 WeakPolarHBondContact O-CG2 3.35Å; A472-V476 PolarHBondContact O-N 3.42Å
473F94.5Very high92.4Very high7 Ų721.1 Ų21.13%0.03112%0.117CC..Hα-helixtrans-58.3-42.8176.3-176.5-112.2000112.6L230 C233 Y323 F326 M403 S469 F470 V476L230-F473 HydrophobicContact CD2-CD1 4.13Å; L230-F473 HydrophobicContact CD2-CE1 4.18Å; C233-F473 HydrophobicContact CB-CD1 4.02Å; C233-F473 HydrophobicContact CB-CE1 3.88Å; Y323-F473 HydrophobicContact CD2-CD2 4.28Å; Y323-F473 HydrophobicContact CD2-CE2 4.17Å; Y323-F473 AromaticContact CE2-CD2 3.88Å; Y323-F473 HydrophobicContact CE2-CD2 3.88Å; Y323-F473 AromaticContact CE2-CE2 3.66Å; Y323-F473 HydrophobicContact CE2-CE2 3.66Å; F326-F473 HydrophobicContact CB-CE2 4.42Å; F326-F473 AromaticContact CD1-CD2 3.78Å; F326-F473 HydrophobicContact CD1-CD2 3.78Å; F326-F473 AromaticContact CD1-CE2 3.63Å; F326-F473 HydrophobicContact CD1-CE2 3.63Å; F326-F473 HydrophobicContact CD1-CG 4.37Å; F326-F473 HydrophobicContact CD1-CZ 4.1Å; F326-F473 AromaticContact CE1-CD2 3.93Å; F326-F473 HydrophobicContact CE1-CD2 3.93Å; F326-F473 HydrophobicContact CE1-CE2 4.22Å; F326-F473 HydrophobicContact CE1-CG 4.14Å; F326-F473 HydrophobicContact CG-CD2 4.47Å; F326-F473 HydrophobicContact CG-CE2 4.26Å; M403-F473 HydrophobicContact CE-CB 4.27Å; M403-F473 HydrophobicContact CE-CD2 3.62Å; M403-F473 HydrophobicContact CE-CE2 4.47Å; M403-F473 HydrophobicContact CE-CG 4.39Å; M403-F473 HydrophobicContact SD-CB 4.31Å; M403-F473 HydrophobicContact SD-CD2 3.82Å; S469-F473 PolarHBondContact O-N 3.23Å; F470-F473 PolarHBondContact O-N 3.3Å; F473-V476 PolarHBondContact O-N 3.39Å
474Y93.4Very high92.3Very high4 Ų429.9 Ų29.92%0.01615%0.151CC..Hα-helixtrans-62.1-47.1175.1170.8-92000112.3C233 P238 F470 A472 V476 S477 H478 C562 H566 P569C233-Y474 VanDerWaalsContact SG-CA 3.58Å; P238-Y474 HydrophobicContact CG-CD2 4.46Å; P238-Y474 HydrophobicContact CG-CE2 3.82Å; F470-Y474 WeakPolarHBondContact O-CB 3.31Å; F470-Y474 PolarHBondContact O-N 2.95Å; A472-Y474 VanDerWaalsContact C-N 3.33Å; A472-Y474 PolarHBondContact O-N 3.05Å; Y474-V476 PolarHBondContact O-N 3.32Å; Y474-V476 VanDerWaalsContact O-N 3.16Å; Y474-S477 PolarHBondContact O-N 3.44Å; Y474-H478 HydrophobicContact CD1-CB 4.35Å; Y474-H478 HydrophobicContact CD2-CB 4.36Å; Y474-H478 AromaticContact CD2-ND1 3.97Å; Y474-H478 HydrophobicContact CE1-CB 3.88Å; Y474-H478 HydrophobicContact CE2-CB 3.92Å; Y474-H478 AromaticContact CE2-CG 3.95Å; Y474-H478 AromaticContact CE2-ND1 3.95Å; Y474-H478 PolarHBondContact O-N 3.45Å; Y474-C562 HydrophobicContact CD1-CB 3.85Å; Y474-C562 HydrophobicContact CE1-CB 3.77Å; Y474-H566 HydrophobicContact CE2-CB 4.12Å; Y474-H566 PolarHBondContact OH-CD2 2.82Å; Y474-H566 VanDerWaalsContact OH-CD2 3.25Å; Y474-P569 HydrophobicContact CD1-CG 3.63Å; Y474-P569 HydrophobicContact CD2-CG 3.84Å; Y474-P569 HydrophobicContact CE1-CG 3.8Å; Y474-P569 HydrophobicContact CE2-CG 3.98Å; Y474-P569 HydrophobicContact CG-CG 3.65Å
475L93.2Very high92.4Very high0 Ų033.7 Ų33.70%018%0.176CC..Hα-helixtrans-63-23.5-177.4-76171.7000113.8A419 M420 V423 Q471 A472 H478 N480A419-L475 HydrophobicContact CB-CD1 3.95Å; A419-L475 HydrophobicContact CB-CD2 3.86Å; M420-L475 HydrophobicContact CE-CB 3.54Å; M420-L475 HydrophobicContact SD-CB 4.38Å; M420-L475 HydrophobicContact SD-CD1 4.5Å; V423-L475 HydrophobicContact CB-CD1 4.48Å; V423-L475 HydrophobicContact CG2-CD1 3.84Å; Q471-L475 WeakPolarHBondContact O-CG 3.17Å; Q471-L475 PolarHBondContact O-N 2.84Å; Q471-L475 VanDerWaalsContact O-N 3.09Å; A472-L475 PolarHBondContact O-N 3.5Å; L475-H478 CarbonylContact O-C 3.48Å; L475-N480 HydrophobicContact CD2-CB 4.17Å
476V92.6Very high92.4Very high0 Ų036.2 Ų36.20%019%0.188CC..Hα-helixtrans-61.7-44.2176177.40000111.7Y323 M403 A406 E407 I410 Q411 M420 A472 F473 Y474Y323-V476 HydrophobicContact CD2-CG1 4.41Å; Y323-V476 HydrophobicContact CE1-CG1 4.17Å; Y323-V476 HydrophobicContact CE2-CB 4.04Å; Y323-V476 HydrophobicContact CE2-CG1 3.66Å; Y323-V476 HydrophobicContact CE2-CG2 4.23Å; Y323-V476 WeakPolarHBondContact OH-CG1 3.31Å; M403-V476 HydrophobicContact CB-CG2 3.96Å; M403-V476 VanDerWaalsContact O-CG2 3.31Å; M403-V476 WeakPolarHBondContact O-CG2 3.48Å; M403-V476 HydrophobicContact SD-CG2 4.18Å; A406-V476 HydrophobicContact CB-CG1 4.23Å; A406-V476 HydrophobicContact CB-CG2 4.45Å; E407-V476 HydrophobicContact CB-CG2 4.29Å; I410-V476 HydrophobicContact CD1-CG1 3.5Å; Q411-V476 PolarHBondContact NE2-O 2.92Å; Q411-V476 VanDerWaalsContact NE2-O 3.12Å; M420-V476 HydrophobicContact CE-CG2 3.93Å; A472-V476 WeakPolarHBondContact O-CG2 3.35Å; A472-V476 PolarHBondContact O-N 3.42Å; F473-V476 PolarHBondContact O-N 3.39Å; Y474-V476 PolarHBondContact O-N 3.32Å; Y474-V476 VanDerWaalsContact O-N 3.16Å
477S88.6Confident92.4Very high43 Ų4336 Ų3630%0.30119%0.187SC..Hα-helixtrans-92.7-26.8-178.2-62.20000112.5Y323 Y474 P479Y323-S477 PolarHBondContact OH-OG 3.35Å; Y474-S477 PolarHBondContact O-N 3.44Å; S477-P479 VanDerWaalsContact C-CD 3.49Å; S477-P479 WeakPolarHBondContact O-CD 3.48Å
478H88.5Confident92.5Very high31 Ų3139 Ų3914%0.14421%0.208CC..SBendtrans-124.370.9-176.8-5792000110.3Q235 K236 P238 Y474 L475 N480Q235-H478 PolarHBondContact O-CE1 3.19Å; K236-H478 PolarHBondContact O-NE2 2.98Å; P238-H478 VanDerWaalsContact CD-NE2 3.29Å; P238-H478 WeakPolarHBondContact CD-NE2 3.46Å; Y474-H478 HydrophobicContact CD1-CB 4.35Å; Y474-H478 HydrophobicContact CD2-CB 4.36Å; Y474-H478 AromaticContact CD2-ND1 3.97Å; Y474-H478 HydrophobicContact CE1-CB 3.88Å; Y474-H478 HydrophobicContact CE2-CB 3.92Å; Y474-H478 AromaticContact CE2-CG 3.95Å; Y474-H478 AromaticContact CE2-ND1 3.95Å; Y474-H478 PolarHBondContact O-N 3.45Å; L475-H478 CarbonylContact O-C 3.48Å; H478-N480 PolarHBondContact O-N 2.87Å
479P85.4Confident92.6Very high46 Ų4643.2 Ų43.230%0.29923%0.232SC..  trans-63134.7-179.627.3-35000110Q411 S477Q411-P479 HydrophobicContact CG-CG 4.46Å; S477-P479 VanDerWaalsContact C-CD 3.49Å; S477-P479 WeakPolarHBondContact O-CD 3.48Å
480N88.4Confident92.7Very high39 Ų3943.3 Ų43.321%0.20923%0.232CC..  trans-119.7123177.1-17744.6000109.9A419 L475 H478 V482 P561 G563A419-N480 WeakPolarHBondContact CB-O 3.37Å; L475-N480 HydrophobicContact CD2-CB 4.17Å; H478-N480 PolarHBondContact O-N 2.87Å; N480-V482 PolarHBondContact O-N 3.49Å; N480-P561 PolarHBondContact ND2-O 3.37Å; N480-G563 PolarHBondContact ND2-N 3.11Å
481E87.9Confident92.9Very high120 Ų12046.4 Ų46.456%0.56125%0.248SC*.  trans-84104.7176.7-63.5-59.9159.200109.8R413R413-E481 IonicContact CZ-OE1 3.14Å; R413-E481 IonicContact NH1-OE1 2.68Å; R413-E481 PolarHBondContact NH1-OE1 2.87Å; R413-E481 IonicContact NH2-OE1 2.73Å; R413-E481 PolarHBondContact NH2-OE1 3.05Å
482V91.1Very high93Very high17 Ų1750.9 Ų50.910%0.10328%0.275CS..  trans-87.9128.4178.2-179.80000109.1L418 A419 N480 M486 A487 I490L418-V482 WeakPolarHBondContact CD2-O 3.42Å; A419-V482 HydrophobicContact CB-CG2 3.92Å; N480-V482 PolarHBondContact O-N 3.49Å; V482-M486 HydrophobicContact CG1-CB 3.9Å; V482-M486 HydrophobicContact CG1-CG 3.96Å; V482-A487 HydrophobicContact CG1-CB 3.98Å; V482-I490 HydrophobicContact CG1-CD1 4.35Å
483S93.2Very high93.1Very high68 Ų6853.3 Ų53.348%0.47629%0.288SS..  trans-69.7148.817467.70000111.3P485 M486 A487S483-P485 VanDerWaalsContact C-CD 3.45Å; S483-P485 VanDerWaalsContact C-N 3.34Å; S483-M486 PolarHBondContact O-N 2.96Å; S483-M486 WeakPolarHBondContact OG-CB 3.13Å; S483-A487 PolarHBondContact O-N 3.17Å
484W93.4Very high93.2Very high195 Ų19553.3 Ų53.374%0.73929%0.288SS*.Hα-helixtrans-53-39.8178.6-73.6102.4000114.9L418 A487 S488L418-W484 HydrophobicContact CD1-CH2 4.45Å; L418-W484 HydrophobicContact CD1-CZ3 4.46Å; L418-W484 HydrophobicContact CD2-CD2 4.44Å; L418-W484 HydrophobicContact CD2-CE3 4.43Å; W484-A487 PolarHBondContact O-N 3.4Å; W484-S488 WeakPolarHBondContact O-CB 3.41Å; W484-S488 PolarHBondContact O-N 3.29Å; W484-S488 PolarHBondContact O-OG 3.07Å
485P94.9Very high93.4Very high99 Ų9957.7 Ų57.764%0.64331%0.311SS*.Hα-helixtrans-63.6-42.7174.8-23.335.1000112.6S483 S488 L489S483-P485 VanDerWaalsContact C-CD 3.45Å; S483-P485 VanDerWaalsContact C-N 3.34Å; P485-S488 WeakPolarHBondContact O-CB 3.47Å; P485-S488 PolarHBondContact O-N 2.91Å; P485-L489 PolarHBondContact O-N 2.7Å
486M94.3Very high93.6Very high60 Ų6060.7 Ų60.730%0.29633%0.332SS..Hα-helixtrans-66.1-43.6177.6-174.862.5176.600110.9V482 S483 S488 L489 I490 F564V482-M486 HydrophobicContact CG1-CB 3.9Å; V482-M486 HydrophobicContact CG1-CG 3.96Å; S483-M486 PolarHBondContact O-N 2.96Å; S483-M486 WeakPolarHBondContact OG-CB 3.13Å; M486-S488 VanDerWaalsContact C-N 3.29Å; M486-S488 PolarHBondContact O-N 2.66Å; M486-L489 PolarHBondContact O-N 3Å; M486-L489 HydrophobicContact SD-CD2 4.4Å; M486-I490 HydrophobicContact CE-CD1 4.23Å; M486-I490 HydrophobicContact CE-CG1 4.35Å; M486-I490 HydrophobicContact CG-CD1 4.05Å; M486-I490 VanDerWaalsContact O-CG1 3.27Å; M486-I490 WeakPolarHBondContact O-CG1 3.3Å; M486-I490 PolarHBondContact O-N 3.36Å; M486-F564 HydrophobicContact CE-CE2 4.23Å; M486-F564 HydrophobicContact CE-CZ 4.45Å
487A95Very high93.8Very high2 Ų260.7 Ų60.72%0.01733%0.332CS..Hα-helixtrans-56.7-43.6173.500000111.8L418 L422 V482 S483 W484 L489 I490 I491L418-A487 HydrophobicContact CD2-CB 3.66Å; L418-A487 HydrophobicContact CG-CB 4.37Å; L422-A487 HydrophobicContact CD1-CB 3.87Å; V482-A487 HydrophobicContact CG1-CB 3.98Å; S483-A487 PolarHBondContact O-N 3.17Å; W484-A487 PolarHBondContact O-N 3.4Å; A487-L489 PolarHBondContact O-N 3.12Å; A487-I490 PolarHBondContact O-N 2.98Å; A487-I491 VanDerWaalsContact O-CG1 3.24Å; A487-I491 WeakPolarHBondContact O-CG1 3.3Å; A487-I491 PolarHBondContact O-N 3Å
488S96Very high94.2Very high63 Ų6361.3 Ų61.344%0.44133%0.328SS..Hα-helixtrans-61.7-43.5177-58.10000111.9W484 P485 M486 I491 V492W484-S488 WeakPolarHBondContact O-CB 3.41Å; W484-S488 PolarHBondContact O-N 3.29Å; W484-S488 PolarHBondContact O-OG 3.07Å; P485-S488 WeakPolarHBondContact O-CB 3.47Å; P485-S488 PolarHBondContact O-N 2.91Å; M486-S488 VanDerWaalsContact C-N 3.29Å; M486-S488 PolarHBondContact O-N 2.66Å; S488-I491 PolarHBondContact O-N 3.35Å; S488-V492 WeakPolarHBondContact O-CG2 3.38Å; S488-V492 PolarHBondContact O-N 3.08Å
489L96.4Very high94.5Very high113 Ų11364 Ų6459%0.59235%0.346SS*.Hα-helixtrans-62-43.8175.8-178.263.9000111.8P485 M486 A487 I491 V492 L493P485-L489 PolarHBondContact O-N 2.7Å; M486-L489 PolarHBondContact O-N 3Å; M486-L489 HydrophobicContact SD-CD2 4.4Å; A487-L489 PolarHBondContact O-N 3.12Å; L489-I491 VanDerWaalsContact C-N 3.35Å; L489-I491 PolarHBondContact O-N 3.46Å; L489-V492 PolarHBondContact O-N 3.36Å; L489-L493 PolarHBondContact O-N 3.27Å
490I96.9Very high95Very high1 Ų162.9 Ų62.91%0.00534%0.337CS..Hα-helixtrans-63.5-41.7177.3-63.6166.7000110.6F426 V482 M486 A487 L493 K494 A557 L560 P561F426-I490 HydrophobicContact CE2-CG2 3.61Å; F426-I490 HydrophobicContact CZ-CG2 4.09Å; V482-I490 HydrophobicContact CG1-CD1 4.35Å; M486-I490 HydrophobicContact CE-CD1 4.23Å; M486-I490 HydrophobicContact CE-CG1 4.35Å; M486-I490 HydrophobicContact CG-CD1 4.05Å; M486-I490 VanDerWaalsContact O-CG1 3.27Å; M486-I490 WeakPolarHBondContact O-CG1 3.3Å; M486-I490 PolarHBondContact O-N 3.36Å; A487-I490 PolarHBondContact O-N 2.98Å; I490-L493 WeakPolarHBondContact O-CB 3.28Å; I490-L493 PolarHBondContact O-N 3.45Å; I490-K494 WeakPolarHBondContact O-CB 3.37Å; I490-K494 PolarHBondContact O-N 2.88Å; I490-A557 HydrophobicContact CG2-CB 4.36Å; I490-A557 WeakPolarHBondContact CG2-O 3.09Å; I490-L560 HydrophobicContact CD1-CB 3.89Å; I490-L560 HydrophobicContact CG1-CB 3.94Å; I490-L560 HydrophobicContact CG1-CD1 4.17Å; I490-L560 HydrophobicContact CG2-CB 4.47Å; I490-P561 HydrophobicContact CD1-CG 4.33Å; I490-P561 HydrophobicContact CG2-CG 4.27Å
491I97.3Very high95.3Very high66 Ų6662 Ų6234%0.33833%0.332SS..Hα-helixtrans-61.3-46.1175.8-69.3163.4000110.5L422 F426 A487 S488 L489 L493 K494 L495L422-I491 HydrophobicContact CD2-CD1 3.9Å; L422-I491 HydrophobicContact CD2-CG1 3.78Å; F426-I491 HydrophobicContact CE1-CG1 4.1Å; F426-I491 HydrophobicContact CZ-CB 4.5Å; F426-I491 HydrophobicContact CZ-CG1 3.84Å; A487-I491 VanDerWaalsContact O-CG1 3.24Å; A487-I491 WeakPolarHBondContact O-CG1 3.3Å; A487-I491 PolarHBondContact O-N 3Å; S488-I491 PolarHBondContact O-N 3.35Å; L489-I491 VanDerWaalsContact C-N 3.35Å; L489-I491 PolarHBondContact O-N 3.46Å; I491-L493 VanDerWaalsContact C-N 3.31Å; I491-L493 PolarHBondContact O-N 3.01Å; I491-K494 PolarHBondContact O-N 3.47Å; I491-L495 HydrophobicContact CG2-CD1 3.9Å; I491-L495 HydrophobicContact CG2-CG 4.28Å; I491-L495 WeakPolarHBondContact O-CB 3.19Å; I491-L495 VanDerWaalsContact O-CG 3.31Å; I491-L495 WeakPolarHBondContact O-CG 3.41Å; I491-L495 PolarHBondContact O-N 3.48Å
492V97.5Very high95.6Very high94 Ų9458.1 Ų58.157%0.5731%0.312SS*.Hα-helixtrans-59.6-43.5176.7170.30000110.8S488 L489 L495 C496S488-V492 WeakPolarHBondContact O-CG2 3.38Å; S488-V492 PolarHBondContact O-N 3.08Å; L489-V492 PolarHBondContact O-N 3.36Å; V492-L495 PolarHBondContact O-N 3.05Å; V492-C496 WeakPolarHBondContact O-CB 3.42Å; V492-C496 PolarHBondContact O-N 3.03Å
493L97.4Very high95.7Very high52 Ų5258.5 Ų58.527%0.27232%0.319SS..Hα-helixtrans-60.8-46.1176.2-17367.9000111.5L489 I490 I491 L495 C496 G497 I553 L556 A557 L560L489-L493 PolarHBondContact O-N 3.27Å; I490-L493 WeakPolarHBondContact O-CB 3.28Å; I490-L493 PolarHBondContact O-N 3.45Å; I491-L493 VanDerWaalsContact C-N 3.31Å; I491-L493 PolarHBondContact O-N 3.01Å; L493-L495 PolarHBondContact O-N 3.5Å; L493-C496 WeakPolarHBondContact O-CB 3.4Å; L493-C496 PolarHBondContact O-N 3.39Å; L493-G497 PolarHBondContact O-N 3.47Å; L493-I553 HydrophobicContact CD1-CG2 3.74Å; L493-I553 HydrophobicContact CG-CG2 3.93Å; L493-I553 WeakPolarHBondContact O-CG2 3.39Å; L493-L556 HydrophobicContact CD2-CD2 4.24Å; L493-L556 HydrophobicContact CD2-CG 4.32Å; L493-A557 HydrophobicContact CD2-CB 4.21Å; L493-A557 HydrophobicContact CG-CB 4.33Å; L493-L560 HydrophobicContact CD2-CD1 3.55Å
494K96.6Very high95.6Very high7 Ų755.2 Ų55.23%0.0330%0.296CS..Hα-helixtrans-59.7-46176.517662.9179.8172.70111.7F426 I490 I491 G497 Y498 M554 A557F426-K494 HydrophobicContact CB-CD 4.12Å; F426-K494 HydrophobicContact CB-CG 4.39Å; F426-K494 HydrophobicContact CD1-CB 4.31Å; F426-K494 HydrophobicContact CD1-CD 4.32Å; F426-K494 HydrophobicContact CD1-CG 3.65Å; F426-K494 HydrophobicContact CD2-CB 4.45Å; F426-K494 HydrophobicContact CD2-CD 4.42Å; F426-K494 HydrophobicContact CD2-CG 4.26Å; F426-K494 HydrophobicContact CE1-CB 4.04Å; F426-K494 HydrophobicContact CE1-CG 3.85Å; F426-K494 HydrophobicContact CE2-CB 4.22Å; F426-K494 HydrophobicContact CE2-CG 4.45Å; F426-K494 HydrophobicContact CG-CB 4.49Å; F426-K494 HydrophobicContact CG-CD 4.05Å; F426-K494 HydrophobicContact CG-CG 3.85Å; F426-K494 HydrophobicContact CZ-CB 3.98Å; F426-K494 HydrophobicContact CZ-CG 4.25Å; F426-K494 PolarHBondContact O-NZ 2.96Å; I490-K494 WeakPolarHBondContact O-CB 3.37Å; I490-K494 PolarHBondContact O-N 2.88Å; I491-K494 PolarHBondContact O-N 3.47Å; K494-G497 PolarHBondContact O-N 3.08Å; K494-Y498 WeakPolarHBondContact O-CB 3.43Å; K494-Y498 PolarHBondContact O-N 3.02Å; K494-M554 HydrophobicContact CD-CB 4.19Å; K494-M554 HydrophobicContact CD-CG 3.95Å; K494-M554 HydrophobicContact CD-SD 4.44Å; K494-M554 PolarHBondContact NZ-SD 3.34Å; K494-A557 HydrophobicContact CB-CB 3.84Å; K494-A557 HydrophobicContact CD-CB 4.38Å
495L96.9Very high95.5Very high95 Ų9547 Ų4750%0.49727%0.266SS..Hα-helixtrans-64.4-41.5179.1-71.2174.6000111.5I491 V492 L493 Y498 V499I491-L495 HydrophobicContact CG2-CD1 3.9Å; I491-L495 HydrophobicContact CG2-CG 4.28Å; I491-L495 WeakPolarHBondContact O-CB 3.19Å; I491-L495 VanDerWaalsContact O-CG 3.31Å; I491-L495 WeakPolarHBondContact O-CG 3.41Å; I491-L495 PolarHBondContact O-N 3.48Å; V492-L495 PolarHBondContact O-N 3.05Å; L493-L495 PolarHBondContact O-N 3.5Å; L495-Y498 PolarHBondContact O-N 2.93Å; L495-V499 WeakPolarHBondContact O-CB 3.38Å; L495-V499 VanDerWaalsContact O-CG2 3.3Å; L495-V499 WeakPolarHBondContact O-CG2 3.35Å; L495-V499 PolarHBondContact O-N 3.41Å
496C97.1Very high95.3Very high64 Ų6444.8 Ų44.843%0.43225%0.253SS..Hα-helixtrans-57.5-52.1174.4-1770000111.2V492 L493 Y498 V499 I500V492-C496 WeakPolarHBondContact O-CB 3.42Å; V492-C496 PolarHBondContact O-N 3.03Å; L493-C496 WeakPolarHBondContact O-CB 3.4Å; L493-C496 PolarHBondContact O-N 3.39Å; C496-Y498 VanDerWaalsContact C-N 3.32Å; C496-Y498 PolarHBondContact O-N 3.36Å; C496-V499 PolarHBondContact O-N 3.01Å; C496-I500 WeakPolarHBondContact O-CG1 3.48Å; C496-I500 PolarHBondContact O-N 3.33Å; C496-I500 VanDerWaalsContact O-N 3.11Å
497G96.6Very high95.1Very high0 Ų043.1 Ų43.10%025%0.245CC..Hα-helixtrans-58.9-42.2176.600000112.7L493 K494 I500 F501 G550L493-G497 PolarHBondContact O-N 3.47Å; K494-G497 PolarHBondContact O-N 3.08Å; G497-I500 PolarHBondContact O-N 2.95Å; G497-F501 WeakPolarHBondContact O-CB 3.47Å; G497-F501 PolarHBondContact O-N 2.94Å; G497-G550 WeakPolarHBondContact O-CA 3.16Å
498Y96.4Very high94.7Very high56 Ų5644.8 Ų44.822%0.2225%0.252CS..Hα-helixtrans-64.7-44.1178.5-178.2-106000112.8L429 D433 K494 L495 C496 I500 F501 R502 M554L429-Y498 HydrophobicContact CD2-CD2 3.68Å; L429-Y498 HydrophobicContact CD2-CE2 3.51Å; L429-Y498 HydrophobicContact CD2-CG 4.29Å; D433-Y498 HydrophobicContact CB-CE2 4.26Å; D433-Y498 PolarHBondContact OD1-OH 2.83Å; D433-Y498 WeakPolarHBondContact OD2-CE2 3.47Å; K494-Y498 WeakPolarHBondContact O-CB 3.43Å; K494-Y498 PolarHBondContact O-N 3.02Å; L495-Y498 PolarHBondContact O-N 2.93Å; C496-Y498 VanDerWaalsContact C-N 3.32Å; C496-Y498 PolarHBondContact O-N 3.36Å; Y498-I500 VanDerWaalsContact C-N 3.34Å; Y498-I500 PolarHBondContact O-N 3.42Å; Y498-F501 PolarHBondContact O-N 3.41Å; Y498-R502 HydrophobicContact CE1-CB 4.39Å; Y498-R502 HydrophobicContact CE1-CG 4.45Å; Y498-R502 HydrophobicContact CE2-CB 4.35Å; Y498-R502 WeakPolarHBondContact O-CB 3.21Å; Y498-R502 PolarHBondContact O-N 3.25Å; Y498-M554 HydrophobicContact CD2-SD 4.09Å
499V96.4Very high94.2Very high86 Ų8643.9 Ų43.952%0.52124%0.242SC..Hα-helixtrans-61.4-43.3177.6168.50000110.9L495 C496 G503L495-V499 WeakPolarHBondContact O-CB 3.38Å; L495-V499 VanDerWaalsContact O-CG2 3.3Å; L495-V499 WeakPolarHBondContact O-CG2 3.35Å; L495-V499 PolarHBondContact O-N 3.41Å; C496-V499 PolarHBondContact O-N 3.01Å; V499-G503 WeakPolarHBondContact O-CA 3.38Å; V499-G503 PolarHBondContact O-N 2.88Å
500I95.9Very high93.7Very high24 Ų2440.5 Ų40.512%0.12323%0.23CC..Hα-helixtrans-63-51.8176.6-64.4167.4000110.1C496 G497 Y498 A504 W539 P546 I553C496-I500 WeakPolarHBondContact O-CG1 3.48Å; C496-I500 PolarHBondContact O-N 3.33Å; C496-I500 VanDerWaalsContact O-N 3.11Å; G497-I500 PolarHBondContact O-N 2.95Å; Y498-I500 VanDerWaalsContact C-N 3.34Å; Y498-I500 PolarHBondContact O-N 3.42Å; I500-A504 WeakPolarHBondContact O-CB 3.33Å; I500-A504 PolarHBondContact O-N 3.48Å; I500-W539 HydrophobicContact CB-CZ3 4.41Å; I500-W539 HydrophobicContact CG1-CH2 4.11Å; I500-W539 HydrophobicContact CG1-CZ3 3.85Å; I500-W539 HydrophobicContact CG2-CE3 4.34Å; I500-W539 HydrophobicContact CG2-CZ3 4.35Å; I500-P546 VanDerWaalsContact CG2-O 3.3Å; I500-P546 WeakPolarHBondContact CG2-O 3.45Å; I500-I553 HydrophobicContact CD1-CD1 3.92Å
501F95.1Very high93.1Very high21 Ų2141.2 Ų41.29%0.09223%0.233CC..Hα-helixtrans-58.8-53.7-178.8171-99.1000112.2Y430 G497 Y498 N505 N547 D551 M554Y430-F501 HydrophobicContact CE2-CZ 4.48Å; G497-F501 WeakPolarHBondContact O-CB 3.47Å; G497-F501 PolarHBondContact O-N 2.94Å; Y498-F501 PolarHBondContact O-N 3.41Å; F501-N505 WeakPolarHBondContact CE2-ND2 3.34Å; F501-N505 WeakPolarHBondContact CZ-ND2 3.48Å; F501-N505 WeakPolarHBondContact O-CB 3.33Å; F501-N505 PolarHBondContact O-N 3.11Å; F501-N505 VanDerWaalsContact O-N 3.08Å; F501-N505 PolarHBondContact O-ND2 2.89Å; F501-N547 HydrophobicContact CD2-CB 4.28Å; F501-D551 HydrophobicContact CD2-CB 4.46Å; F501-D551 VanDerWaalsContact CD2-CG 3.44Å; F501-D551 VanDerWaalsContact CD2-OD1 3.24Å; F501-D551 WeakPolarHBondContact CD2-OD1 3.46Å; F501-D551 WeakPolarHBondContact CD2-OD2 3.36Å; F501-D551 VanDerWaalsContact CE2-CG 3.48Å; F501-D551 VanDerWaalsContact CE2-OD1 3.24Å; F501-D551 WeakPolarHBondContact CE2-OD1 3.5Å; F501-D551 WeakPolarHBondContact CE2-OD2 3.5Å; F501-M554 HydrophobicContact CB-CE 3.7Å; F501-M554 HydrophobicContact CD1-CE 3.95Å; F501-M554 HydrophobicContact CD2-CE 4.12Å; F501-M554 HydrophobicContact CG-CE 3.66Å
502R93.1Very high92.4Very high38 Ų3845.2 Ų45.214%0.14324%0.244CC..Hα-helixtrans-71.7-38.6-175.9-178.148.456.2-175-4.2111.3D433 N437 Y498 S506D433-R502 VanDerWaalsContact CG-CZ 3.45Å; D433-R502 IonicContact OD1-CZ 2.95Å; D433-R502 IonicContact OD1-NE 3.86Å; D433-R502 PolarHBondContact OD1-NE 3.35Å; D433-R502 IonicContact OD1-NH1 3.72Å; D433-R502 IonicContact OD1-NH2 3.21Å; D433-R502 PolarHBondContact OD1-NH2 3.35Å; D433-R502 IonicContact OD2-CZ 3.33Å; D433-R502 VanDerWaalsContact OD2-CZ 3.22Å; D433-R502 IonicContact OD2-NE 3.3Å; D433-R502 PolarHBondContact OD2-NE 3.14Å; D433-R502 VanDerWaalsContact OD2-NE 3.14Å; D433-R502 IonicContact OD2-NH2 2.75Å; D433-R502 PolarHBondContact OD2-NH2 3.45Å; N437-R502 PolarHBondContact ND2-NH1 3.34Å; N437-R502 PolarHBondContact ND2-NH2 3.04Å; N437-R502 PolarHBondContact OD1-NH1 3.17Å; Y498-R502 HydrophobicContact CE1-CB 4.39Å; Y498-R502 HydrophobicContact CE1-CG 4.45Å; Y498-R502 HydrophobicContact CE2-CB 4.35Å; Y498-R502 WeakPolarHBondContact O-CB 3.21Å; Y498-R502 PolarHBondContact O-N 3.25Å; R502-S506 WeakPolarHBondContact O-CB 3.36Å; R502-S506 PolarHBondContact O-N 3.03Å; R502-S506 PolarHBondContact O-OG 3.29Å
503G92.8Very high91.6Very high24 Ų2449.3 Ų49.325%0.24725%0.254CS..Hα-helixtrans-61-49.817500000112V499 S506 Q507V499-G503 WeakPolarHBondContact O-CA 3.38Å; V499-G503 PolarHBondContact O-N 2.88Å; G503-S506 PolarHBondContact O-N 2.94Å; G503-Q507 WeakPolarHBondContact O-CB 3.33Å; G503-Q507 PolarHBondContact O-N 3.32Å
504A92.6Very high90.9Very high0 Ų050.4 Ų50.40%026%0.26CS..Hα-helixtrans-61.5-46.7178.200000112.8I500 Q507 K508 W539 W540 P546 N547I500-A504 WeakPolarHBondContact O-CB 3.33Å; I500-A504 PolarHBondContact O-N 3.48Å; A504-Q507 PolarHBondContact O-N 2.99Å; A504-K508 WeakPolarHBondContact O-CB 3.25Å; A504-K508 PolarHBondContact O-N 3.48Å; A504-W539 HydrophobicContact CB-CB 3.97Å; A504-W539 HydrophobicContact CB-CG 4.18Å; A504-W540 HydrophobicContact CB-CZ2 4.44Å; A504-W540 PolarHBondContact O-NE1 2.84Å; A504-P546 HydrophobicContact CB-CB 4.03Å; A504-P546 HydrophobicContact CB-CG 3.68Å; A504-N547 HydrophobicContact CB-CB 4.37Å
505N91.4Very high90.1Very high21 Ų2153.3 Ų53.311%0.11228%0.28CS..Hα-helixtrans-67.5-41.6179.9-82.5-43.3000112.3F501 Q507 K508 N509F501-N505 WeakPolarHBondContact CE2-ND2 3.34Å; F501-N505 WeakPolarHBondContact CZ-ND2 3.48Å; F501-N505 WeakPolarHBondContact O-CB 3.33Å; F501-N505 PolarHBondContact O-N 3.11Å; F501-N505 VanDerWaalsContact O-N 3.08Å; F501-N505 PolarHBondContact O-ND2 2.89Å; N505-Q507 VanDerWaalsContact C-N 3.34Å; N505-Q507 PolarHBondContact O-N 3.32Å; N505-K508 PolarHBondContact O-N 2.87Å; N505-K508 WeakPolarHBondContact OD1-CE 3.29Å; N505-K508 PolarHBondContact OD1-NZ 2.93Å; N505-N509 WeakPolarHBondContact O-CB 3.33Å; N505-N509 PolarHBondContact O-N 2.94Å; N505-N509 PolarHBondContact O-ND2 2.68Å
506S89.4Confident89.1Confident53 Ų5353.8 Ų53.837%0.37129%0.291SS..Hα-helixtrans-64.3-40.9177.3-56.90000111.3R502 G503 N509 A510R502-S506 WeakPolarHBondContact O-CB 3.36Å; R502-S506 PolarHBondContact O-N 3.03Å; R502-S506 PolarHBondContact O-OG 3.29Å; G503-S506 PolarHBondContact O-N 2.94Å; S506-N509 PolarHBondContact O-N 2.88Å; S506-A510 VanDerWaalsContact O-CB 3.25Å; S506-A510 WeakPolarHBondContact O-CB 3.33Å; S506-A510 PolarHBondContact O-N 3.32Å
507Q89.8Confident88.4Confident25 Ų2553 Ų5312%0.11728%0.283CS..Hα-helixtrans-60.8-47.8174.9-174.4177.54000111.7G503 A504 N505 F511 L523G503-Q507 WeakPolarHBondContact O-CB 3.33Å; G503-Q507 PolarHBondContact O-N 3.32Å; A504-Q507 PolarHBondContact O-N 2.99Å; N505-Q507 VanDerWaalsContact C-N 3.34Å; N505-Q507 PolarHBondContact O-N 3.32Å; Q507-F511 VanDerWaalsContact O-CB 3.29Å; Q507-F511 WeakPolarHBondContact O-CB 3.48Å; Q507-F511 PolarHBondContact O-N 2.84Å; Q507-L523 HydrophobicContact CG-CD1 3.94Å; Q507-L523 VanDerWaalsContact NE2-CD1 3.29Å
508K87.2Confident87.5Confident38 Ų3858.2 Ų58.217%0.16532%0.317CS..Hα-helixtrans-60.4-45.7176.6177.6-178.962.7-168.90111.8A504 N505 F511 R512 W540A504-K508 WeakPolarHBondContact O-CB 3.25Å; A504-K508 PolarHBondContact O-N 3.48Å; N505-K508 PolarHBondContact O-N 2.87Å; N505-K508 WeakPolarHBondContact OD1-CE 3.29Å; N505-K508 PolarHBondContact OD1-NZ 2.93Å; K508-F511 PolarHBondContact O-N 3.21Å; K508-R512 WeakPolarHBondContact O-CB 3.37Å; K508-R512 WeakPolarHBondContact O-CG 3.3Å; K508-R512 PolarHBondContact O-N 3.21Å; K508-W540 HydrophobicContact CB-CZ2 3.77Å; K508-W540 HydrophobicContact CD-CH2 3.85Å; K508-W540 HydrophobicContact CD-CZ2 3.66Å; K508-W540 HydrophobicContact CG-CZ2 4.17Å
509N84.9Confident86.6Confident44 Ų4463.7 Ų63.724%0.23534%0.341CS..Hα-helixtrans-69-44.1-177.1-70.5-10.6000111.8N505 S506 F511 R512 K513N505-N509 WeakPolarHBondContact O-CB 3.33Å; N505-N509 PolarHBondContact O-N 2.94Å; N505-N509 PolarHBondContact O-ND2 2.68Å; S506-N509 PolarHBondContact O-N 2.88Å; N509-F511 VanDerWaalsContact C-N 3.32Å; N509-F511 PolarHBondContact O-N 2.97Å; N509-R512 PolarHBondContact O-N 2.82Å; N509-K513 WeakPolarHBondContact O-CB 3.41Å; N509-K513 PolarHBondContact O-N 3.29Å
510A85.8Confident85.7Confident41 Ų4160.5 Ų60.534%0.33932%0.322SS..Hα-helixtrans-59.9-44.6175.400000111.1S506 K513 N514 L520S506-A510 VanDerWaalsContact O-CB 3.25Å; S506-A510 WeakPolarHBondContact O-CB 3.33Å; S506-A510 PolarHBondContact O-N 3.32Å; A510-K513 PolarHBondContact O-N 2.97Å; A510-N514 PolarHBondContact O-N 3.37Å; A510-L520 HydrophobicContact CB-CD1 3.95Å
511F85.9Confident84.5Confident17 Ų1763.2 Ų63.28%0.07535%0.347CS..Hα-helixtrans-64-42.4177.8-177.4-103.5000113.3Q507 K508 N509 K513 N514 P515 L520 T525 N533 L535Q507-F511 VanDerWaalsContact O-CB 3.29Å; Q507-F511 WeakPolarHBondContact O-CB 3.48Å; Q507-F511 PolarHBondContact O-N 2.84Å; K508-F511 PolarHBondContact O-N 3.21Å; N509-F511 VanDerWaalsContact C-N 3.32Å; N509-F511 PolarHBondContact O-N 2.97Å; F511-K513 VanDerWaalsContact C-N 3.28Å; F511-K513 PolarHBondContact O-N 3.46Å; F511-N514 CarbonylContact O-C 3.59Å; F511-P515 HydrophobicContact CD2-CB 4.48Å; F511-P515 HydrophobicContact CE2-CB 4.11Å; F511-P515 HydrophobicContact CZ-CB 4.39Å; F511-P515 WeakPolarHBondContact O-CA 3.5Å; F511-P515 WeakPolarHBondContact O-CD 3.17Å; F511-P515 WeakPolarHBondContact O-CG 3.34Å; F511-L520 HydrophobicContact CB-CD1 4.13Å; F511-L520 HydrophobicContact CD2-CD1 4.5Å; F511-T525 HydrophobicContact CE2-CG2 3.64Å; F511-T525 HydrophobicContact CZ-CG2 3.53Å; F511-N533 HydrophobicContact CE1-CB 4.16Å; F511-N533 WeakPolarHBondContact CE1-O 3.46Å; F511-N533 HydrophobicContact CZ-CB 3.77Å; F511-L535 HydrophobicContact CB-CD1 3.78Å; F511-L535 HydrophobicContact CB-CG 4.49Å; F511-L535 HydrophobicContact CD1-CD1 3.62Å; F511-L535 HydrophobicContact CD1-CD2 4.33Å; F511-L535 HydrophobicContact CD1-CG 3.75Å; F511-L535 HydrophobicContact CD2-CD1 4.41Å; F511-L535 HydrophobicContact CD2-CD2 3.9Å; F511-L535 HydrophobicContact CD2-CG 4.23Å; F511-L535 HydrophobicContact CE1-CD1 4.3Å; F511-L535 HydrophobicContact CE1-CD2 4.5Å; F511-L535 HydrophobicContact CE1-CG 3.93Å; F511-L535 HydrophobicContact CE2-CD2 4.09Å; F511-L535 HydrophobicContact CE2-CG 4.4Å; F511-L535 HydrophobicContact CG-CD1 3.67Å; F511-L535 HydrophobicContact CG-CD2 4.01Å; F511-L535 HydrophobicContact CG-CG 3.89Å; F511-L535 HydrophobicContact CZ-CD2 4.37Å; F511-L535 HydrophobicContact CZ-CG 4.24Å
512R81.4Confident83.9Confident150 Ų15068.9 Ų68.957%0.56637%0.374SS*.Hα-helixtrans-65.8-31.1176.5-75.9178.1176.5-174.4-0.9112.7K508 N509K508-R512 WeakPolarHBondContact O-CB 3.37Å; K508-R512 WeakPolarHBondContact O-CG 3.3Å; K508-R512 PolarHBondContact O-N 3.21Å; N509-R512 PolarHBondContact O-N 2.82Å
513K81.4Confident83.4Confident179 Ų17967.7 Ų67.778%0.77837%0.37SS*.Hα-helixtrans-78.1-44.9179.6-172175.7-178.41780112.1N509 A510 F511N509-K513 WeakPolarHBondContact O-CB 3.41Å; N509-K513 PolarHBondContact O-N 3.29Å; A510-K513 PolarHBondContact O-N 2.97Å; F511-K513 VanDerWaalsContact C-N 3.28Å; F511-K513 PolarHBondContact O-N 3.46Å
514N82.6Confident83Confident75 Ų7574.1 Ų74.140%0.40139%0.391SS..  trans-145.394.1177.2-172.610.9000111.1A510 F511 S516 D517A510-N514 PolarHBondContact O-N 3.37Å; F511-N514 CarbonylContact O-C 3.59Å; N514-S516 PolarHBondContact O-N 3.42Å; N514-S516 PolarHBondContact OD1-N 3.16Å; N514-D517 HydrophobicContact CB-CB 4.4Å; N514-D517 PolarHBondContact O-N 2.97Å
515P79Confident82.8Confident69 Ų6976.1 Ų76.145%0.44840%0.404SS..THydrogen-bonded Turntrans-63.6-21.3178.7-21.931.9000114.1F511F511-P515 HydrophobicContact CD2-CB 4.48Å; F511-P515 HydrophobicContact CE2-CB 4.11Å; F511-P515 HydrophobicContact CZ-CB 4.39Å; F511-P515 WeakPolarHBondContact O-CA 3.5Å; F511-P515 WeakPolarHBondContact O-CD 3.17Å; F511-P515 WeakPolarHBondContact O-CG 3.34Å
516S77.1Confident82.5Confident104 Ų10475.9 Ų75.973%0.72740%0.402SS*.THydrogen-bonded Turntrans-97.712.3-176.5-57.40000113.2N514 P518N514-S516 PolarHBondContact O-N 3.42Å; N514-S516 PolarHBondContact OD1-N 3.16Å; S516-P518 WeakPolarHBondContact O-CD 3.29Å
517D81.8Confident82.3Confident47 Ų4779.9 Ų79.925%0.25142%0.415SS..  trans-63.2125.9176.9-167-36.2000110.4N514 K519 L520 A521N514-D517 HydrophobicContact CB-CB 4.4Å; N514-D517 PolarHBondContact O-N 2.97Å; D517-K519 PolarHBondContact O-N 3.38Å; D517-K519 VanDerWaalsContact O-N 3.1Å; D517-K519 WeakPolarHBondContact OD1-CB 3.42Å; D517-K519 PolarHBondContact OD1-N 2.93Å; D517-L520 HydrophobicContact CB-CB 4.49Å; D517-L520 HydrophobicContact CB-CD1 4.13Å; D517-L520 HydrophobicContact CB-CG 4.32Å; D517-L520 PolarHBondContact O-N 2.85Å; D517-A521 PolarHBondContact O-N 3.2Å
518P77.8Confident82.1Confident110 Ų11079.3 Ų79.371%0.71441%0.413SS*.G310 helixtrans-53.1-31176.2-26.434000113.7S516 L520 A521S516-P518 WeakPolarHBondContact O-CD 3.29Å; P518-L520 PolarHBondContact O-N 3.2Å; P518-A521 WeakPolarHBondContact O-CB 3.44Å; P518-A521 PolarHBondContact O-N 3.34Å
519K76.6Confident81.2Confident171 Ų17178.7 Ų78.774%0.74341%0.414SS*.G310 helixtrans-64.7-25.3176.7-67.1-177.6178.8-178.30112.9D517 H522D517-K519 PolarHBondContact O-N 3.38Å; D517-K519 VanDerWaalsContact O-N 3.1Å; D517-K519 WeakPolarHBondContact OD1-CB 3.42Å; D517-K519 PolarHBondContact OD1-N 2.93Å; K519-H522 PolarHBondContact O-CE1 3.12Å; K519-H522 PolarHBondContact O-ND1 3.15Å
520L78.1Confident80.6Confident20 Ų2079.5 Ų79.511%0.10542%0.42CS..G310 helixtrans-102.8-1.2-179.4-60.9171.6000112.4A510 F511 D517 P518 H522 L523A510-L520 HydrophobicContact CB-CD1 3.95Å; F511-L520 HydrophobicContact CB-CD1 4.13Å; F511-L520 HydrophobicContact CD2-CD1 4.5Å; D517-L520 HydrophobicContact CB-CB 4.49Å; D517-L520 HydrophobicContact CB-CD1 4.13Å; D517-L520 HydrophobicContact CB-CG 4.32Å; D517-L520 PolarHBondContact O-N 2.85Å; P518-L520 PolarHBondContact O-N 3.2Å; L520-H522 PolarHBondContact O-N 3.3Å; L520-L523 HydrophobicContact CB-CD1 4.11Å; L520-L523 HydrophobicContact CD2-CD1 3.58Å; L520-L523 HydrophobicContact CG-CD1 4.44Å; L520-L523 VanDerWaalsContact O-CB 3.26Å; L520-L523 WeakPolarHBondContact O-CB 3.25Å; L520-L523 WeakPolarHBondContact O-CG 3.47Å; L520-L523 PolarHBondContact O-N 3.36Å
521A71.3Confident80Confident80 Ų8080.5 Ų80.566%0.66143%0.434SS*.THydrogen-bonded Turntrans-63.6-23.3-176.200000113.8D517 P518 L523D517-A521 PolarHBondContact O-N 3.2Å; P518-A521 WeakPolarHBondContact O-CB 3.44Å; P518-A521 PolarHBondContact O-N 3.34Å; A521-L523 PolarHBondContact O-N 3.02Å
522H81.4Confident79.7Confident140 Ų14085.8 Ų85.865%0.64846%0.458SS*.THydrogen-bonded Turntrans-71.1-10.9173.768-84.8000113K519 L520K519-H522 PolarHBondContact O-CE1 3.12Å; K519-H522 PolarHBondContact O-ND1 3.15Å; L520-H522 PolarHBondContact O-N 3.3Å
523L82.3Confident79.9Confident14 Ų1480.9 Ų80.97%0.07344%0.443CS..SBendtrans-86125.3-177.2-58.5173.4000111.5Q507 L520 A521 L535 S537Q507-L523 HydrophobicContact CG-CD1 3.94Å; Q507-L523 VanDerWaalsContact NE2-CD1 3.29Å; L520-L523 HydrophobicContact CB-CD1 4.11Å; L520-L523 HydrophobicContact CD2-CD1 3.58Å; L520-L523 HydrophobicContact CG-CD1 4.44Å; L520-L523 VanDerWaalsContact O-CB 3.26Å; L520-L523 WeakPolarHBondContact O-CB 3.25Å; L520-L523 WeakPolarHBondContact O-CG 3.47Å; L520-L523 PolarHBondContact O-N 3.36Å; A521-L523 PolarHBondContact O-N 3.02Å; L523-L535 HydrophobicContact CB-CD2 3.88Å; L523-L535 HydrophobicContact CD1-CD2 3.76Å; L523-L535 HydrophobicContact CG-CD2 4.38Å; L523-S537 WeakPolarHBondContact CA-OG 3.35Å; L523-S537 WeakPolarHBondContact CB-OG 3.49Å; L523-S537 WeakPolarHBondContact CD2-OG 3.04Å
524K85.1Confident80.1Confident158 Ų15873.3 Ų73.369%0.68741%0.41SS*.  trans-74.7135.3173.1-62.8-178.4-178.61770109.6V536 S537K524-V536 PolarHBondContact O-N 3.25Å; K524-S537 PolarHBondContact N-OG 3.43Å
525T88.5Confident80.4Confident42 Ų4270.5 Ų70.526%0.25840%0.395SS..EExtended strand (participates in β ladder)trans-129.8156.1-179.863.40000111.8F511 L534 L535F511-T525 HydrophobicContact CE2-CG2 3.64Å; F511-T525 HydrophobicContact CZ-CG2 3.53Å; T525-L534 CarbonylContact C-O 3.55Å; T525-L534 WeakPolarHBondContact CA-O 3.3Å; T525-L534 VanDerWaalsContact CB-O 3.3Å; T525-L534 WeakPolarHBondContact CB-O 3.48Å; T525-L535 HydrophobicContact CG2-CD2 4.16Å
526I86Confident80.8Confident16 Ų1668 Ų688%0.08238%0.379CS..EExtended strand (participates in β ladder)trans-105.3124.4167-70.2165.5000107.5N533 L534 V536 A598 K601 Y602I526-N533 CarbonylContact O-C 3.55Å; I526-N533 WeakPolarHBondContact O-CA 3.5Å; I526-L534 HydrophobicContact CB-CB 4.38Å; I526-L534 PolarHBondContact N-O 3.1Å; I526-L534 PolarHBondContact O-N 3Å; I526-V536 HydrophobicContact CB-CG2 4.29Å; I526-V536 HydrophobicContact CD1-CG2 3.62Å; I526-V536 HydrophobicContact CG1-CG2 3.65Å; I526-A598 HydrophobicContact CG2-CB 4.18Å; I526-K601 HydrophobicContact CD1-CB 4.38Å; I526-Y602 HydrophobicContact CD1-CD2 4.45Å
527H84.4Confident81.3Confident137 Ų13764 Ų6463%0.63435%0.351SS*.  trans-71.8135.6171.7-67.5-59.2000110.2N533H527-N533 VanDerWaalsContact ND1-CG 3.29Å; H527-N533 PolarHBondContact ND1-ND2 2.83Å; H527-N533 PolarHBondContact ND1-OD1 2.98Å
528T84.6Confident81.6Confident13 Ų1364 Ų648%0.0836%0.362CS..  trans-115.5153.6175.480.10000110.7T530 G531 K532 L534 Y595 A598T528-T530 PolarHBondContact O-N 3.3Å; T528-T530 PolarHBondContact OG1-N 3.3Å; T528-T530 PolarHBondContact OG1-OG1 2.84Å; T528-G531 PolarHBondContact O-N 3.36Å; T528-G531 VanDerWaalsContact O-N 3.07Å; T528-K532 WeakPolarHBondContact CB-O 3.49Å; T528-K532 WeakPolarHBondContact CG2-O 3.49Å; T528-K532 PolarHBondContact OG1-O 3.2Å; T528-L534 HydrophobicContact CG2-CD1 3.86Å; T528-L534 HydrophobicContact CG2-CG 3.71Å; T528-Y595 HydrophobicContact CG2-CD1 3.77Å; T528-Y595 HydrophobicContact CG2-CE1 4.37Å; T528-Y595 HydrophobicContact CG2-CG 4.3Å; T528-A598 HydrophobicContact CG2-CB 3.88Å
529S70.3Confident82.2Confident26 Ų2663.2 Ų63.218%0.18235%0.345CS..THydrogen-bonded Turntrans-59.5-24175.853.20000113.3Y23 G531Y23-S529 PolarHBondContact OH-O 3.36Å; Y23-S529 VanDerWaalsContact OH-O 3.1Å; S529-G531 PolarHBondContact O-N 2.79Å
530T71.9Confident82.9Confident60 Ų6056.3 Ų56.337%0.36831%0.314SS..THydrogen-bonded Turntrans-73.8-4.6176.871.60000114.3T528 K532 K594 Y595T528-T530 PolarHBondContact O-N 3.3Å; T528-T530 PolarHBondContact OG1-N 3.3Å; T528-T530 PolarHBondContact OG1-OG1 2.84Å; T530-K532 PolarHBondContact O-N 3.25Å; T530-K594 HydrophobicContact CG2-CG 4.31Å; T530-K594 WeakPolarHBondContact CG2-O 3.35Å; T530-Y595 HydrophobicContact CG2-CD1 4.05Å; T530-Y595 HydrophobicContact CG2-CE1 4.33Å; T530-Y595 WeakPolarHBondContact OG1-CE1 3.13Å
531G72.9Confident83.5Confident62 Ų6256.6 Ų56.664%0.63932%0.322SS*.SBendtrans78.10.2-176.600000114.5T528 S529T528-G531 PolarHBondContact O-N 3.36Å; T528-G531 VanDerWaalsContact O-N 3.07Å; S529-G531 PolarHBondContact O-N 2.79Å
532K79.4Confident84.4Confident129 Ų12957.4 Ų57.456%0.56131%0.311SS*.PPolyproline II helixtrans-102.6124.3172.4-68.2-174.4177.7-175.40110.1T528 T530 Y595T528-K532 WeakPolarHBondContact CB-O 3.49Å; T528-K532 WeakPolarHBondContact CG2-O 3.49Å; T528-K532 PolarHBondContact OG1-O 3.2Å; T530-K532 PolarHBondContact O-N 3.25Å; K532-Y595 HydrophobicContact CB-CE1 4.5Å
533N84.6Confident85Confident47 Ų4750.7 Ų50.725%0.25128%0.28SS..PPolyproline II helixtrans-82149.8179.9-61.4-22000111F511 I526 H527F511-N533 HydrophobicContact CE1-CB 4.16Å; F511-N533 WeakPolarHBondContact CE1-O 3.46Å; F511-N533 HydrophobicContact CZ-CB 3.77Å; I526-N533 CarbonylContact O-C 3.55Å; I526-N533 WeakPolarHBondContact O-CA 3.5Å; H527-N533 VanDerWaalsContact ND1-CG 3.29Å; H527-N533 PolarHBondContact ND1-ND2 2.83Å; H527-N533 PolarHBondContact ND1-OD1 2.98Å
534L86.3Confident85.5Confident19 Ų1950.8 Ų50.810%0.09928%0.279CS..EExtended strand (participates in β ladder)trans-100.3134.8174-60.5174.3000109.8T525 I526 T528 Y595 W599 Y602T525-L534 CarbonylContact C-O 3.55Å; T525-L534 WeakPolarHBondContact CA-O 3.3Å; T525-L534 VanDerWaalsContact CB-O 3.3Å; T525-L534 WeakPolarHBondContact CB-O 3.48Å; I526-L534 HydrophobicContact CB-CB 4.38Å; I526-L534 PolarHBondContact N-O 3.1Å; I526-L534 PolarHBondContact O-N 3Å; T528-L534 HydrophobicContact CG2-CD1 3.86Å; T528-L534 HydrophobicContact CG2-CG 3.71Å; L534-Y595 HydrophobicContact CD1-CD2 4.45Å; L534-Y595 HydrophobicContact CD1-CG 4.47Å; L534-Y595 HydrophobicContact CD2-CD2 4.11Å; L534-Y595 HydrophobicContact CD2-CE1 4.49Å; L534-Y595 HydrophobicContact CD2-CE2 3.86Å; L534-W599 HydrophobicContact CD1-CE3 3.86Å; L534-W599 HydrophobicContact CD1-CZ3 4.3Å; L534-W599 HydrophobicContact CD2-CZ3 4.31Å; L534-Y602 HydrophobicContact CD1-CG 4.48Å
535L88.1Confident85.9Confident16 Ų1644 Ų448%0.08425%0.25CC..EExtended strand (participates in β ladder)trans-81.5131.2176.7-80.8158.7000110.2F511 L523 T525 W540 Y602F511-L535 HydrophobicContact CB-CD1 3.78Å; F511-L535 HydrophobicContact CB-CG 4.49Å; F511-L535 HydrophobicContact CD1-CD1 3.62Å; F511-L535 HydrophobicContact CD1-CD2 4.33Å; F511-L535 HydrophobicContact CD1-CG 3.75Å; F511-L535 HydrophobicContact CD2-CD1 4.41Å; F511-L535 HydrophobicContact CD2-CD2 3.9Å; F511-L535 HydrophobicContact CD2-CG 4.23Å; F511-L535 HydrophobicContact CE1-CD1 4.3Å; F511-L535 HydrophobicContact CE1-CD2 4.5Å; F511-L535 HydrophobicContact CE1-CG 3.93Å; F511-L535 HydrophobicContact CE2-CD2 4.09Å; F511-L535 HydrophobicContact CE2-CG 4.4Å; F511-L535 HydrophobicContact CG-CD1 3.67Å; F511-L535 HydrophobicContact CG-CD2 4.01Å; F511-L535 HydrophobicContact CG-CG 3.89Å; F511-L535 HydrophobicContact CZ-CD2 4.37Å; F511-L535 HydrophobicContact CZ-CG 4.24Å; L523-L535 HydrophobicContact CB-CD2 3.88Å; L523-L535 HydrophobicContact CD1-CD2 3.76Å; L523-L535 HydrophobicContact CG-CD2 4.38Å; T525-L535 HydrophobicContact CG2-CD2 4.16Å; L535-W540 HydrophobicContact CB-CB 4.02Å; L535-W540 HydrophobicContact CB-CG 4.34Å; L535-Y602 WeakPolarHBondContact O-CE2 3.43Å
536V89.1Confident86.2Confident17 Ų1742 Ų4210%0.10324%0.238CC..  trans-127.617.5-177.1-155.50000112.4K524 I526 G541 Y602 R605 V606K524-V536 PolarHBondContact O-N 3.25Å; I526-V536 HydrophobicContact CB-CG2 4.29Å; I526-V536 HydrophobicContact CD1-CG2 3.62Å; I526-V536 HydrophobicContact CG1-CG2 3.65Å; V536-G541 WeakPolarHBondContact O-CA 3.38Å; V536-Y602 HydrophobicContact CB-CD2 4.35Å; V536-Y602 HydrophobicContact CB-CE2 4.32Å; V536-Y602 HydrophobicContact CG1-CD2 3.96Å; V536-Y602 HydrophobicContact CG1-CE2 4.06Å; V536-Y602 HydrophobicContact CG2-CD2 3.78Å; V536-Y602 HydrophobicContact CG2-CE2 4.1Å; V536-R605 HydrophobicContact CG1-CB 3.72Å; V536-R605 HydrophobicContact CG1-CG 4.42Å; V536-V606 HydrophobicContact CG1-CG2 3.75Å
537S86.6Confident86.6Confident20 Ų2041.8 Ų41.814%0.1424%0.237CC..SBendtrans-146.4166-178.660.80000111.1L523 K524L523-S537 WeakPolarHBondContact CA-OG 3.35Å; L523-S537 WeakPolarHBondContact CB-OG 3.49Å; L523-S537 WeakPolarHBondContact CD2-OG 3.04Å; K524-S537 PolarHBondContact N-OG 3.43Å
538G88.3Confident87.1Confident48 Ų4836.1 Ų36.150%0.49521%0.21SC..THydrogen-bonded Turntrans70.5-141.8-168.600000110W540 G541 F542G538-W540 VanDerWaalsContact C-N 3.29Å; G538-W540 PolarHBondContact O-N 2.88Å; G538-G541 PolarHBondContact O-N 3.24Å; G538-G541 VanDerWaalsContact O-N 3.13Å; G538-F542 PolarHBondContact O-N 2.98Å
539W90.8Very high87.6Confident92 Ų9236.5 Ų36.535%0.34821%0.211SC..Hα-helixtrans-58.1-41.8-180-59109.8000112.4I500 A504 G541 F542 V543 P546I500-W539 HydrophobicContact CB-CZ3 4.41Å; I500-W539 HydrophobicContact CG1-CH2 4.11Å; I500-W539 HydrophobicContact CG1-CZ3 3.85Å; I500-W539 HydrophobicContact CG2-CE3 4.34Å; I500-W539 HydrophobicContact CG2-CZ3 4.35Å; A504-W539 HydrophobicContact CB-CB 3.97Å; A504-W539 HydrophobicContact CB-CG 4.18Å; W539-G541 PolarHBondContact O-N 3.28Å; W539-F542 PolarHBondContact O-N 3.39Å; W539-V543 PolarHBondContact O-N 3.45Å; W539-P546 HydrophobicContact CB-CB 3.92Å; W539-P546 HydrophobicContact CB-CG 3.76Å
540W91.4Very high88.8Confident27 Ų2735.3 Ų35.310%0.10220%0.203CC..Hα-helixtrans-77.5-3.5-178.1-58.989.4000114.3A504 K508 L535 G538 V543 R544 P546 N547 Y602A504-W540 HydrophobicContact CB-CZ2 4.44Å; A504-W540 PolarHBondContact O-NE1 2.84Å; K508-W540 HydrophobicContact CB-CZ2 3.77Å; K508-W540 HydrophobicContact CD-CH2 3.85Å; K508-W540 HydrophobicContact CD-CZ2 3.66Å; K508-W540 HydrophobicContact CG-CZ2 4.17Å; L535-W540 HydrophobicContact CB-CB 4.02Å; L535-W540 HydrophobicContact CB-CG 4.34Å; G538-W540 VanDerWaalsContact C-N 3.29Å; G538-W540 PolarHBondContact O-N 2.88Å; W540-V543 CarbonylContact C-O 3.6Å; W540-R544 WeakPolarHBondContact CZ3-O 3.3Å; W540-P546 HydrophobicContact CD2-CG 4.06Å; W540-P546 HydrophobicContact CE3-CG 4.3Å; W540-P546 HydrophobicContact CG-CG 4.39Å; W540-P546 HydrophobicContact CZ2-CG 4.43Å; W540-N547 WeakPolarHBondContact CH2-OD1 3.29Å; W540-Y602 PolarHBondContact O-OH 2.81Å
541G89.6Confident89.9Confident26 Ų2633 Ų3327%0.26819%0.188SC..Hα-helixtrans-97.7-1717000000113.3V536 G538 W539V536-G541 WeakPolarHBondContact O-CA 3.38Å; G538-G541 PolarHBondContact O-N 3.24Å; G538-G541 VanDerWaalsContact O-N 3.13Å; W539-G541 PolarHBondContact O-N 3.28Å
542F90.3Very high91Very high96 Ų9630.7 Ų30.742%0.42116%0.161SC..Hα-helixtrans-84.2-48.4179.1-177.8-122.2000111.4G538 W539 P612 Y613G538-F542 PolarHBondContact O-N 2.98Å; W539-F542 PolarHBondContact O-N 3.39Å; F542-P612 HydrophobicContact CD1-CB 4.49Å; F542-P612 HydrophobicContact CE1-CB 3.67Å; F542-P612 HydrophobicContact CE1-CG 3.67Å; F542-P612 HydrophobicContact CE2-CB 3.99Å; F542-P612 HydrophobicContact CZ-CB 3.37Å; F542-P612 HydrophobicContact CZ-CG 3.63Å; F542-Y613 HydrophobicContact CE2-CE2 4.32Å
543V93.6Very high91.8Very high0 Ų026.2 Ų26.20%014%0.143CC..  trans-140.3158.1172.3-650000108.5W539 W540 H545 P546 V606 Y608 P612W539-V543 PolarHBondContact O-N 3.45Å; W540-V543 CarbonylContact C-O 3.6Å; V543-H545 VanDerWaalsContact C-N 3.35Å; V543-P546 VanDerWaalsContact CG2-CA 3.49Å; V543-P546 HydrophobicContact CG2-CB 3.7Å; V543-P546 HydrophobicContact CG2-CG 4.43Å; V543-P546 WeakPolarHBondContact O-CD 3.39Å; V543-V606 VanDerWaalsContact C-CG1 3.48Å; V543-Y608 WeakPolarHBondContact CA-O 3.45Å; V543-P612 HydrophobicContact CG1-CB 3.88Å; V543-P612 HydrophobicContact CG1-CG 4.44Å
544R93.3Very high92.4Very high15 Ų1524 Ų246%0.05713%0.131CC..SBendtrans-71.2-30.2-179.4-64.7-163-67.1-101.410.2112.8W540 P546 E588 Y602 V606 P607 Y608 R609W540-R544 WeakPolarHBondContact CZ3-O 3.3Å; R544-P546 VanDerWaalsContact C-CD 3.5Å; R544-P546 WeakPolarHBondContact O-CD 3.29Å; R544-E588 IonicContact CZ-OE1 2.63Å; R544-E588 VanDerWaalsContact CZ-OE1 3.31Å; R544-E588 IonicContact NE-OE1 2.66Å; R544-E588 PolarHBondContact NE-OE1 3.33Å; R544-E588 IonicContact NH2-OE1 3.36Å; R544-E588 PolarHBondContact NH2-OE1 3.44Å; R544-Y602 HydrophobicContact CB-CE1 4.18Å; R544-Y602 HydrophobicContact CG-CD1 4.46Å; R544-Y602 HydrophobicContact CG-CE1 3.67Å; R544-V606 WeakPolarHBondContact CD-O 3.39Å; R544-V606 HydrophobicContact CG-CB 3.95Å; R544-V606 HydrophobicContact CG-CG1 3.69Å; R544-V606 WeakPolarHBondContact CG-O 3.08Å; R544-V606 PolarHBondContact NH1-O 3.4Å; R544-P607 VanDerWaalsContact NH1-C 3.31Å; R544-P607 PolarHBondContact NH1-O 3.44Å; R544-Y608 WeakPolarHBondContact CG-O 3.39Å; R544-Y608 PolarHBondContact N-O 3.21Å; R544-R609 PolarHBondContact N-O 3.18Å
545H93.6Very high92.8Very high16 Ų1623 Ų237%0.07413%0.126CC..  trans-127.767.8179.9-67.8-89.6000112.8V543 N547 Y548 L549 E584 D587 R609 I610V543-H545 VanDerWaalsContact C-N 3.35Å; H545-N547 PolarHBondContact O-N 3.02Å; H545-Y548 HydrophobicContact CB-CD2 3.42Å; H545-Y548 VanDerWaalsContact CB-CD2 3.42Å; H545-Y548 HydrophobicContact CB-CE2 4Å; H545-Y548 HydrophobicContact CB-CG 3.88Å; H545-Y548 AromaticContact CE1-CE2 3.85Å; H545-Y548 AromaticContact CG-CD2 3.64Å; H545-Y548 AromaticContact CG-CE2 3.69Å; H545-Y548 AromaticContact ND1-CD2 3.62Å; H545-Y548 AromaticContact ND1-CE2 3.19Å; H545-Y548 WeakPolarHBondContact ND1-CE2 3.49Å; H545-Y548 AromaticContact ND1-CZ 3.76Å; H545-Y548 PolarHBondContact O-N 3.43Å; H545-Y548 VanDerWaalsContact O-N 3.12Å; H545-L549 PolarHBondContact O-N 2.84Å; H545-E584 VanDerWaalsContact CD2-CG 3.49Å; H545-E584 WeakPolarHBondContact CD2-CG 3.14Å; H545-D587 IonicContact CE1-OD2 3.21Å; H545-R609 WeakPolarHBondContact CB-O 3.28Å; H545-R609 PolarHBondContact N-O 3.49Å; H545-I610 HydrophobicContact CB-CG1 4.33Å
546P94.7Very high93.2Very high1 Ų125.3 Ų25.31%0.00614%0.138CC..Hα-helixtrans-66.2-28.2-178.827.2-34.9000112.6I500 A504 W539 W540 V543 R544 Y548 L549 G550I500-P546 VanDerWaalsContact CG2-O 3.3Å; I500-P546 WeakPolarHBondContact CG2-O 3.45Å; A504-P546 HydrophobicContact CB-CB 4.03Å; A504-P546 HydrophobicContact CB-CG 3.68Å; W539-P546 HydrophobicContact CB-CB 3.92Å; W539-P546 HydrophobicContact CB-CG 3.76Å; W540-P546 HydrophobicContact CD2-CG 4.06Å; W540-P546 HydrophobicContact CE3-CG 4.3Å; W540-P546 HydrophobicContact CG-CG 4.39Å; W540-P546 HydrophobicContact CZ2-CG 4.43Å; V543-P546 VanDerWaalsContact CG2-CA 3.49Å; V543-P546 HydrophobicContact CG2-CB 3.7Å; V543-P546 HydrophobicContact CG2-CG 4.43Å; V543-P546 WeakPolarHBondContact O-CD 3.39Å; R544-P546 VanDerWaalsContact C-CD 3.5Å; R544-P546 WeakPolarHBondContact O-CD 3.29Å; P546-Y548 VanDerWaalsContact C-N 3.34Å; P546-L549 PolarHBondContact O-N 3.33Å; P546-G550 PolarHBondContact O-N 3.27Å
547N94.1Very high93.6Very high10 Ų1024.5 Ų24.55%0.05313%0.133CC..Hα-helixtrans-62.5-40.7173.457.6-53.1000111.7F501 A504 W540 H545 G550 D551F501-N547 HydrophobicContact CD2-CB 4.28Å; A504-N547 HydrophobicContact CB-CB 4.37Å; W540-N547 WeakPolarHBondContact CH2-OD1 3.29Å; H545-N547 PolarHBondContact O-N 3.02Å; N547-G550 PolarHBondContact O-N 3Å; N547-D551 WeakPolarHBondContact O-CB 3.12Å; N547-D551 PolarHBondContact O-N 2.99Å
548Y94.9Very high93.9Very high19 Ų1923.7 Ų23.78%0.07513%0.127CC..Hα-helixtrans-67.6-37.6177.5-61.6-14.3000111.4H545 P546 D551 L552 L580 E584 D587 I610H545-Y548 HydrophobicContact CB-CD2 3.42Å; H545-Y548 VanDerWaalsContact CB-CD2 3.42Å; H545-Y548 HydrophobicContact CB-CE2 4Å; H545-Y548 HydrophobicContact CB-CG 3.88Å; H545-Y548 AromaticContact CE1-CE2 3.85Å; H545-Y548 AromaticContact CG-CD2 3.64Å; H545-Y548 AromaticContact CG-CE2 3.69Å; H545-Y548 AromaticContact ND1-CD2 3.62Å; H545-Y548 AromaticContact ND1-CE2 3.19Å; H545-Y548 WeakPolarHBondContact ND1-CE2 3.49Å; H545-Y548 AromaticContact ND1-CZ 3.76Å; H545-Y548 PolarHBondContact O-N 3.43Å; H545-Y548 VanDerWaalsContact O-N 3.12Å; P546-Y548 VanDerWaalsContact C-N 3.34Å; Y548-D551 WeakPolarHBondContact O-CB 3.48Å; Y548-D551 PolarHBondContact O-N 2.9Å; Y548-L552 WeakPolarHBondContact O-CG 3.1Å; Y548-L552 PolarHBondContact O-N 3.29Å; Y548-L580 HydrophobicContact CD1-CD2 3.77Å; Y548-L580 HydrophobicContact CD2-CD2 4.43Å; Y548-L580 HydrophobicContact CE1-CD2 4.17Å; Y548-L580 HydrophobicContact CG-CD2 3.94Å; Y548-E584 HydrophobicContact CD2-CB 4.26Å; Y548-E584 HydrophobicContact CE2-CB 4.16Å; Y548-D587 PolarHBondContact OH-OD2 3.13Å; Y548-I610 HydrophobicContact CD2-CD1 4.41Å
549L95.1Very high94.3Very high21 Ų2121.4 Ų21.411%0.1110%0.103CC..Hα-helixtrans-60.9-47.6173179.164.1000111.9H545 P546 D551 L552 I553 I610 F611H545-L549 PolarHBondContact O-N 2.84Å; P546-L549 PolarHBondContact O-N 3.33Å; L549-D551 VanDerWaalsContact C-N 3.32Å; L549-D551 PolarHBondContact O-N 2.82Å; L549-L552 PolarHBondContact O-N 3.23Å; L549-I553 HydrophobicContact CD1-CD1 4.35Å; L549-I553 HydrophobicContact CG-CD1 4.17Å; L549-I553 WeakPolarHBondContact O-CG1 3.38Å; L549-I553 PolarHBondContact O-N 3.11Å; L549-I553 VanDerWaalsContact O-N 3.08Å; L549-I610 HydrophobicContact CB-CG2 4.26Å; L549-F611 HydrophobicContact CD1-CD1 4.02Å; L549-F611 HydrophobicContact CD1-CE1 4.28Å
550G95.7Very high94.5Very high0 Ų018.1 Ų18.10%09%0.092CC..Hα-helixtrans-60.3-41.8176.800000112.6G497 P546 N547 L552 I553 M554G497-G550 WeakPolarHBondContact O-CA 3.16Å; P546-G550 PolarHBondContact O-N 3.27Å; N547-G550 PolarHBondContact O-N 3Å; G550-L552 PolarHBondContact O-N 2.77Å; G550-I553 PolarHBondContact O-N 2.83Å; G550-M554 WeakPolarHBondContact O-CG 3.33Å; G550-M554 PolarHBondContact O-N 3.46Å
551D94.7Very high94.7Very high13 Ų1316.8 Ų16.87%0.079%0.088CC..Hα-helixtrans-59.4-43174.8-91.2-28000112.7Y430 F501 N547 Y548 L549 M554 A555 F576 L580Y430-D551 WeakPolarHBondContact CE2-OD1 3.35Å; Y430-D551 PolarHBondContact OH-OD1 3.1Å; F501-D551 HydrophobicContact CD2-CB 4.46Å; F501-D551 VanDerWaalsContact CD2-CG 3.44Å; F501-D551 VanDerWaalsContact CD2-OD1 3.24Å; F501-D551 WeakPolarHBondContact CD2-OD1 3.46Å; F501-D551 WeakPolarHBondContact CD2-OD2 3.36Å; F501-D551 VanDerWaalsContact CE2-CG 3.48Å; F501-D551 VanDerWaalsContact CE2-OD1 3.24Å; F501-D551 WeakPolarHBondContact CE2-OD1 3.5Å; F501-D551 WeakPolarHBondContact CE2-OD2 3.5Å; N547-D551 WeakPolarHBondContact O-CB 3.12Å; N547-D551 PolarHBondContact O-N 2.99Å; Y548-D551 WeakPolarHBondContact O-CB 3.48Å; Y548-D551 PolarHBondContact O-N 2.9Å; L549-D551 VanDerWaalsContact C-N 3.32Å; L549-D551 PolarHBondContact O-N 2.82Å; D551-M554 PolarHBondContact O-N 2.95Å; D551-M554 VanDerWaalsContact OD1-CE 3.25Å; D551-M554 WeakPolarHBondContact OD1-CE 3.19Å; D551-A555 WeakPolarHBondContact O-CB 3.49Å; D551-A555 PolarHBondContact O-N 3.07Å; D551-F576 HydrophobicContact CB-CE1 3.84Å; D551-F576 HydrophobicContact CB-CZ 4.28Å; D551-L580 HydrophobicContact CB-CD1 4.24Å
552L96.2Very high94.8Very high12 Ų1215.7 Ų15.76%0.0638%0.075CC..Hα-helixtrans-66.8-40.1176.8-71.6177.2000113.2Y548 L549 G550 M554 A555 L556 F576 T577 L580 I610 F611Y548-L552 WeakPolarHBondContact O-CG 3.1Å; Y548-L552 PolarHBondContact O-N 3.29Å; L549-L552 PolarHBondContact O-N 3.23Å; G550-L552 PolarHBondContact O-N 2.77Å; L552-M554 VanDerWaalsContact C-N 3.29Å; L552-M554 PolarHBondContact O-N 2.74Å; L552-A555 WeakPolarHBondContact O-CB 3.46Å; L552-A555 PolarHBondContact O-N 2.95Å; L552-L556 PolarHBondContact O-N 2.84Å; L552-F576 HydrophobicContact CD2-CD1 4Å; L552-T577 HydrophobicContact CD1-CG2 4.44Å; L552-T577 WeakPolarHBondContact CD2-OG1 3.21Å; L552-L580 HydrophobicContact CD1-CD1 4.38Å; L552-L580 HydrophobicContact CD2-CD1 3.75Å; L552-L580 HydrophobicContact CG-CD1 3.71Å; L552-I610 HydrophobicContact CD1-CG2 4.12Å; L552-F611 HydrophobicContact CD1-CE1 4.12Å; L552-F611 HydrophobicContact CD1-CE2 4.31Å; L552-F611 HydrophobicContact CD1-CZ 3.57Å
553I96.7Very high94.9Very high35 Ų3511.5 Ų11.518%0.1796%0.059CC..Hα-helixtrans-62.4-41.6175.3-66.6167000110.1L493 I500 L549 G550 L556 A557L493-I553 HydrophobicContact CD1-CG2 3.74Å; L493-I553 HydrophobicContact CG-CG2 3.93Å; L493-I553 WeakPolarHBondContact O-CG2 3.39Å; I500-I553 HydrophobicContact CD1-CD1 3.92Å; L549-I553 HydrophobicContact CD1-CD1 4.35Å; L549-I553 HydrophobicContact CG-CD1 4.17Å; L549-I553 WeakPolarHBondContact O-CG1 3.38Å; L549-I553 PolarHBondContact O-N 3.11Å; L549-I553 VanDerWaalsContact O-N 3.08Å; G550-I553 PolarHBondContact O-N 2.83Å; I553-L556 PolarHBondContact O-N 3.12Å; I553-A557 PolarHBondContact O-N 3.25Å
554M96.4Very high94.7Very high0 Ų018.4 Ų18.40%09%0.09CC..Hα-helixtrans-64.9-42.5175-70.2-167.7-69.600112.2Y430 K494 Y498 F501 G550 D551 L552 L556 A557 W558Y430-M554 HydrophobicContact CD2-CE 3.95Å; Y430-M554 HydrophobicContact CD2-SD 4.3Å; Y430-M554 HydrophobicContact CE2-CE 3.81Å; K494-M554 HydrophobicContact CD-CB 4.19Å; K494-M554 HydrophobicContact CD-CG 3.95Å; K494-M554 HydrophobicContact CD-SD 4.44Å; K494-M554 PolarHBondContact NZ-SD 3.34Å; Y498-M554 HydrophobicContact CD2-SD 4.09Å; F501-M554 HydrophobicContact CB-CE 3.7Å; F501-M554 HydrophobicContact CD1-CE 3.95Å; F501-M554 HydrophobicContact CD2-CE 4.12Å; F501-M554 HydrophobicContact CG-CE 3.66Å; G550-M554 WeakPolarHBondContact O-CG 3.33Å; G550-M554 PolarHBondContact O-N 3.46Å; D551-M554 PolarHBondContact O-N 2.95Å; D551-M554 VanDerWaalsContact OD1-CE 3.25Å; D551-M554 WeakPolarHBondContact OD1-CE 3.19Å; L552-M554 VanDerWaalsContact C-N 3.29Å; L552-M554 PolarHBondContact O-N 2.74Å; M554-L556 VanDerWaalsContact C-N 3.31Å; M554-L556 PolarHBondContact O-N 2.66Å; M554-A557 PolarHBondContact O-N 3.21Å; M554-W558 HydrophobicContact CB-CZ2 4.4Å; M554-W558 VanDerWaalsContact O-CG 3.22Å; M554-W558 PolarHBondContact O-N 2.81Å
555A95.8Very high94.4Very high0 Ų023.9 Ų23.90%012%0.12CC..Hα-helixtrans-58.9-42.6176.600000112D551 L552 W558 S559 Y572 V573 F576D551-A555 WeakPolarHBondContact O-CB 3.49Å; D551-A555 PolarHBondContact O-N 3.07Å; L552-A555 WeakPolarHBondContact O-CB 3.46Å; L552-A555 PolarHBondContact O-N 2.95Å; A555-W558 WeakPolarHBondContact O-CB 3.3Å; A555-W558 PolarHBondContact O-N 3.07Å; A555-S559 PolarHBondContact O-N 3.17Å; A555-S559 PolarHBondContact O-OG 2.84Å; A555-Y572 HydrophobicContact CB-CD1 3.97Å; A555-Y572 HydrophobicContact CB-CE1 3.49Å; A555-Y572 VanDerWaalsContact CB-CE1 3.49Å; A555-V573 HydrophobicContact CB-CG2 4.36Å; A555-V573 WeakPolarHBondContact O-CG2 3.46Å; A555-F576 HydrophobicContact CB-CD1 3.91Å; A555-F576 HydrophobicContact CB-CE1 4.47Å
556L96.3Very high94Very high64 Ų6424.9 Ų24.934%0.33513%0.125SC..Hα-helixtrans-62-46.9174.3-178.661000111.1L493 L552 I553 M554 W558 S559 L560 Y570L493-L556 HydrophobicContact CD2-CD2 4.24Å; L493-L556 HydrophobicContact CD2-CG 4.32Å; L552-L556 PolarHBondContact O-N 2.84Å; I553-L556 PolarHBondContact O-N 3.12Å; M554-L556 VanDerWaalsContact C-N 3.31Å; M554-L556 PolarHBondContact O-N 2.66Å; L556-W558 PolarHBondContact O-N 3.45Å; L556-S559 PolarHBondContact O-N 2.56Å; L556-L560 HydrophobicContact CD1-CD2 4.42Å; L556-L560 HydrophobicContact CD1-CG 4.35Å; L556-L560 HydrophobicContact CG-CD1 4.28Å; L556-L560 HydrophobicContact CG-CG 4.34Å; L556-L560 WeakPolarHBondContact O-CG 3.35Å; L556-L560 PolarHBondContact O-N 3.1Å; L556-L560 VanDerWaalsContact O-N 3.08Å; L556-Y570 HydrophobicContact CD1-CE1 4.4Å
557A96.6Very high93.8Very high0 Ų029.4 Ų29.40%015%0.148CC..Hα-helixtrans-61.6-24.8177.900000113.8I490 L493 K494 I553 M554 P561I490-A557 HydrophobicContact CG2-CB 4.36Å; I490-A557 WeakPolarHBondContact CG2-O 3.09Å; L493-A557 HydrophobicContact CD2-CB 4.21Å; L493-A557 HydrophobicContact CG-CB 4.33Å; K494-A557 HydrophobicContact CB-CB 3.84Å; K494-A557 HydrophobicContact CD-CB 4.38Å; I553-A557 PolarHBondContact O-N 3.25Å; M554-A557 PolarHBondContact O-N 3.21Å; A557-P561 VanDerWaalsContact O-CD 3.23Å; A557-P561 WeakPolarHBondContact O-CD 3.26Å
558W94.8Very high93.5Very high2 Ų229.1 Ų29.11%0.00815%0.146CC..Hα-helixtrans-74.2-27172.9-58.8-17.7000113.4W396 V423 F426 Q427 Y430 M554 A555 L556 Y572W396-W558 AromaticContact CH2-CH2 3.83Å; W396-W558 HydrophobicContact CH2-CH2 3.83Å; W396-W558 AromaticContact CH2-CZ3 3.87Å; W396-W558 HydrophobicContact CH2-CZ3 3.87Å; W396-W558 HydrophobicContact CZ2-CZ3 4.18Å; V423-W558 WeakPolarHBondContact CG2-O 3.38Å; F426-W558 VanDerWaalsContact CB-CD1 3.46Å; Q427-W558 HydrophobicContact CG-CD2 4.05Å; Q427-W558 HydrophobicContact CG-CE3 4.3Å; Q427-W558 HydrophobicContact CG-CG 4.26Å; Y430-W558 HydrophobicContact CD1-CH2 4.04Å; Y430-W558 HydrophobicContact CD1-CZ2 4.4Å; Y430-W558 AromaticContact CD2-CH2 3.98Å; Y430-W558 HydrophobicContact CD2-CH2 3.98Å; Y430-W558 AromaticContact CD2-CZ2 3.8Å; Y430-W558 HydrophobicContact CD2-CZ2 3.8Å; Y430-W558 HydrophobicContact CE1-CH2 4.36Å; Y430-W558 HydrophobicContact CE2-CH2 4.3Å; Y430-W558 HydrophobicContact CE2-CZ2 4.47Å; Y430-W558 AromaticContact CG-CH2 3.82Å; Y430-W558 HydrophobicContact CG-CH2 3.82Å; Y430-W558 AromaticContact CG-CZ2 3.75Å; Y430-W558 HydrophobicContact CG-CZ2 3.75Å; M554-W558 HydrophobicContact CB-CZ2 4.4Å; M554-W558 VanDerWaalsContact O-CG 3.22Å; M554-W558 PolarHBondContact O-N 2.81Å; A555-W558 WeakPolarHBondContact O-CB 3.3Å; A555-W558 PolarHBondContact O-N 3.07Å; L556-W558 PolarHBondContact O-N 3.45Å; W558-Y572 HydrophobicContact CE3-CD1 4.21Å; W558-Y572 AromaticContact CE3-CE1 3.43Å; W558-Y572 HydrophobicContact CE3-CE1 3.43Å; W558-Y572 VanDerWaalsContact CE3-CE1 3.43Å; W558-Y572 AromaticContact CE3-CZ 3.85Å; W558-Y572 AromaticContact CZ3-CE1 3.61Å; W558-Y572 HydrophobicContact CZ3-CE1 3.61Å; W558-Y572 AromaticContact CZ3-CZ 3.56Å; W558-Y572 WeakPolarHBondContact CZ3-OH 3.35Å
559S95.3Very high93.3Very high0 Ų028.2 Ų28.20%014%0.143CC..Hα-helixtrans-95.2-28.1-173.6-50.20000112.5Q471 A555 L556 P561 C562 P569 V573Q471-S559 PolarHBondContact NE2-OG 2.68Å; A555-S559 PolarHBondContact O-N 3.17Å; A555-S559 PolarHBondContact O-OG 2.84Å; L556-S559 PolarHBondContact O-N 2.56Å; S559-P561 VanDerWaalsContact C-CD 3.42Å; S559-C562 VanDerWaalsContact O-CB 3.31Å; S559-C562 WeakPolarHBondContact O-CB 3.43Å; S559-C562 PolarHBondContact O-N 2.87Å; S559-C562 VanDerWaalsContact O-N 3.09Å; S559-P569 PolarHBondContact OG-O 3.13Å; S559-V573 VanDerWaalsContact OG-CG2 3.32Å; S559-V573 WeakPolarHBondContact OG-CG2 3.22Å
560L95.2Very high93.3Very high23 Ų2328.8 Ų28.812%0.1214%0.144CC..G310 helixtrans-56.3-36.6177.7-71.5172.8000115.2I490 L493 L556 C562 G563 F564 Y570I490-L560 HydrophobicContact CD1-CB 3.89Å; I490-L560 HydrophobicContact CG1-CB 3.94Å; I490-L560 HydrophobicContact CG1-CD1 4.17Å; I490-L560 HydrophobicContact CG2-CB 4.47Å; L493-L560 HydrophobicContact CD2-CD1 3.55Å; L556-L560 HydrophobicContact CD1-CD2 4.42Å; L556-L560 HydrophobicContact CD1-CG 4.35Å; L556-L560 HydrophobicContact CG-CD1 4.28Å; L556-L560 HydrophobicContact CG-CG 4.34Å; L556-L560 WeakPolarHBondContact O-CG 3.35Å; L556-L560 PolarHBondContact O-N 3.1Å; L556-L560 VanDerWaalsContact O-N 3.08Å; L560-C562 PolarHBondContact O-N 3.34Å; L560-C562 VanDerWaalsContact O-N 3.15Å; L560-G563 PolarHBondContact O-N 3.45Å; L560-G563 VanDerWaalsContact O-N 3.11Å; L560-F564 HydrophobicContact CD2-CE1 3.97Å; L560-F564 HydrophobicContact CD2-CZ 3.71Å; L560-Y570 HydrophobicContact CD2-CE1 4.35Å
561P94.9Very high93.1Very high0 Ų030.6 Ų30.60%015%0.152CC..G310 helixtrans-58.9-23.9175.8-26.735.9000114.1A419 L422 V423 N480 I490 A557 S559 G563A419-P561 HydrophobicContact CB-CB 3.95Å; A419-P561 WeakPolarHBondContact CB-O 3.49Å; L422-P561 HydrophobicContact CB-CG 4.17Å; V423-P561 HydrophobicContact CG2-CB 3.8Å; V423-P561 HydrophobicContact CG2-CG 3.88Å; N480-P561 PolarHBondContact ND2-O 3.37Å; I490-P561 HydrophobicContact CD1-CG 4.33Å; I490-P561 HydrophobicContact CG2-CG 4.27Å; A557-P561 VanDerWaalsContact O-CD 3.23Å; A557-P561 WeakPolarHBondContact O-CD 3.26Å; S559-P561 VanDerWaalsContact C-CD 3.42Å; P561-G563 PolarHBondContact O-N 3.09Å
562C92.6Very high93Very high2 Ų230 Ų301%0.01415%0.148CC..G310 helixtrans-74.7-3.9178.6-56.20000114Y474 S559 L560 P569Y474-C562 HydrophobicContact CD1-CB 3.85Å; Y474-C562 HydrophobicContact CE1-CB 3.77Å; S559-C562 VanDerWaalsContact O-CB 3.31Å; S559-C562 WeakPolarHBondContact O-CB 3.43Å; S559-C562 PolarHBondContact O-N 2.87Å; S559-C562 VanDerWaalsContact O-N 3.09Å; L560-C562 PolarHBondContact O-N 3.34Å; L560-C562 VanDerWaalsContact O-N 3.15Å; C562-P569 HydrophobicContact CB-CB 3.6Å; C562-P569 HydrophobicContact CB-CG 3.64Å
563G91.5Very high92.9Very high8 Ų830.5 Ų30.58%0.08215%0.152CC..  trans77.7-165.3-179.100000112.7N480 L560 P561 Y570N480-G563 PolarHBondContact ND2-N 3.11Å; L560-G563 PolarHBondContact O-N 3.45Å; L560-G563 VanDerWaalsContact O-N 3.11Å; P561-G563 PolarHBondContact O-N 3.09Å; G563-Y570 WeakPolarHBondContact O-CE2 3.27Å; G563-Y570 PolarHBondContact O-OH 3.22Å
564F90.6Very high92.8Very high146 Ų14632.4 Ų32.464%0.6416%0.162SC*.SBendtrans-119.77.6-175.4-60.6-79.1000113.5M486 L560 H566 Y570M486-F564 HydrophobicContact CE-CE2 4.23Å; M486-F564 HydrophobicContact CE-CZ 4.45Å; L560-F564 HydrophobicContact CD2-CE1 3.97Å; L560-F564 HydrophobicContact CD2-CZ 3.71Å; F564-H566 VanDerWaalsContact C-N 3.34Å; F564-H566 PolarHBondContact O-N 3.11Å; F564-Y570 HydrophobicContact CD1-CE2 4.49Å; F564-Y570 AromaticContact CD1-CZ 3.98Å; F564-Y570 VanDerWaalsContact CD1-OH 3.29Å; F564-Y570 WeakPolarHBondContact CD1-OH 3.47Å; F564-Y570 WeakPolarHBondContact CE1-OH 3.39Å
565N85.9Confident92.7Very high130 Ų13034.7 Ų34.770%0.69517%0.171SC*.SBendtrans-67.8-35.9-176.7-63.5-16.7000112.1
566H86.4Confident92.6Very high37 Ų3735.3 Ų35.317%0.17117%0.173CC..  trans-130.8140.3-179.1-60.7-76.5000110.6D237 P238 Y474 F564 L568 P569D237-H566 IonicContact OD1-CE1 3.6Å; D237-H566 PolarHBondContact OD1-CE1 2.92Å; P238-H566 HydrophobicContact CG-CB 4.4Å; Y474-H566 HydrophobicContact CE2-CB 4.12Å; Y474-H566 PolarHBondContact OH-CD2 2.82Å; Y474-H566 VanDerWaalsContact OH-CD2 3.25Å; F564-H566 VanDerWaalsContact C-N 3.34Å; F564-H566 PolarHBondContact O-N 3.11Å; H566-L568 PolarHBondContact O-N 2.86Å; H566-P569 WeakPolarHBondContact O-CD 3.45Å
567I89.8Confident92.5Very high96 Ų9634.1 Ų34.149%0.49217%0.169SC..SBendtrans-75.7-16.1177.1-166.2164.7000112.6L240 Y570 F571L240-I567 HydrophobicContact CD1-CG2 3.48Å; L240-I567 VanDerWaalsContact CD1-CG2 3.48Å; L240-I567 HydrophobicContact CG-CG2 3.98Å; I567-Y570 WeakPolarHBondContact O-CA 3.35Å; I567-Y570 WeakPolarHBondContact O-CB 3.13Å; I567-Y570 PolarHBondContact O-N 3.38Å; I567-F571 PolarHBondContact O-N 3.43Å
568L89.1Confident92.4Very high4 Ų440.4 Ų40.42%0.02120%0.2CC..G310 helixtrans-56.1-45.2-171.2-154.267.7000113.3L229 I232 C233 P238 L240 F470 H566 Y570 F571L229-L568 HydrophobicContact CD2-CD1 3.75Å; I232-L568 HydrophobicContact CB-CD2 4.47Å; I232-L568 HydrophobicContact CG2-CD1 4.26Å; I232-L568 HydrophobicContact CG2-CD2 3.91Å; C233-L568 HydrophobicContact CB-CD2 3.7Å; P238-L568 HydrophobicContact CB-CD2 4.14Å; L240-L568 HydrophobicContact CD2-CD1 3.9Å; F470-L568 HydrophobicContact CE1-CB 4.23Å; F470-L568 HydrophobicContact CE1-CD2 4.03Å; F470-L568 HydrophobicContact CE1-CG 3.6Å; F470-L568 WeakPolarHBondContact CE1-O 3.47Å; F470-L568 HydrophobicContact CZ-CD1 4.37Å; F470-L568 HydrophobicContact CZ-CD2 3.55Å; F470-L568 HydrophobicContact CZ-CG 3.5Å; H566-L568 PolarHBondContact O-N 2.86Å; L568-Y570 PolarHBondContact O-N 2.93Å; L568-F571 WeakPolarHBondContact O-CB 3.48Å; L568-F571 PolarHBondContact O-N 2.84Å
569P90.8Very high92.3Very high0 Ų042.9 Ų42.90%021%0.213CC..G310 helixtrans-63.8-25.8176.3-22.436.1000113.8Q471 Y474 S559 C562 H566 F571Q471-P569 HydrophobicContact CG-CB 4.44Å; Y474-P569 HydrophobicContact CD1-CG 3.63Å; Y474-P569 HydrophobicContact CD2-CG 3.84Å; Y474-P569 HydrophobicContact CE1-CG 3.8Å; Y474-P569 HydrophobicContact CE2-CG 3.98Å; Y474-P569 HydrophobicContact CG-CG 3.65Å; S559-P569 PolarHBondContact OG-O 3.13Å; C562-P569 HydrophobicContact CB-CB 3.6Å; C562-P569 HydrophobicContact CB-CG 3.64Å; H566-P569 WeakPolarHBondContact O-CD 3.45Å; P569-F571 VanDerWaalsContact C-N 3.28Å
570Y93.8Very high92.2Very high32 Ų3243.2 Ų43.213%0.12521%0.214CC..G310 helixtrans-79.4-10.2177.1-62.6-90.3000113.1L556 L560 G563 F564 I567 L568 Y572 V573 I574L556-Y570 HydrophobicContact CD1-CE1 4.4Å; L560-Y570 HydrophobicContact CD2-CE1 4.35Å; G563-Y570 WeakPolarHBondContact O-CE2 3.27Å; G563-Y570 PolarHBondContact O-OH 3.22Å; F564-Y570 HydrophobicContact CD1-CE2 4.49Å; F564-Y570 AromaticContact CD1-CZ 3.98Å; F564-Y570 VanDerWaalsContact CD1-OH 3.29Å; F564-Y570 WeakPolarHBondContact CD1-OH 3.47Å; F564-Y570 WeakPolarHBondContact CE1-OH 3.39Å; I567-Y570 WeakPolarHBondContact O-CA 3.35Å; I567-Y570 WeakPolarHBondContact O-CB 3.13Å; I567-Y570 PolarHBondContact O-N 3.38Å; L568-Y570 PolarHBondContact O-N 2.93Å; Y570-Y572 PolarHBondContact O-N 3.32Å; Y570-V573 PolarHBondContact O-N 3.31Å; Y570-I574 WeakPolarHBondContact O-CG1 3.49Å; Y570-I574 PolarHBondContact O-N 3.46Å; Y570-I574 VanDerWaalsContact O-N 3.14Å
571F92.8Very high92.1Very high38 Ų3844.4 Ų44.417%0.16722%0.223CC..Hα-helixtrans-50.3-41.5171.5170.2-102.2000111.1F225 L229 W463 I467 I567 L568 P569 V573 I574 Y575F225-F571 HydrophobicContact CD1-CZ 4.44Å; F225-F571 HydrophobicContact CE1-CD2 4.48Å; F225-F571 AromaticContact CE1-CE1 3.88Å; F225-F571 HydrophobicContact CE1-CE1 3.88Å; F225-F571 AromaticContact CE1-CE2 3.6Å; F225-F571 HydrophobicContact CE1-CE2 3.6Å; F225-F571 AromaticContact CE1-CZ 3.26Å; F225-F571 HydrophobicContact CE1-CZ 3.26Å; F225-F571 HydrophobicContact CZ-CD2 4.11Å; F225-F571 HydrophobicContact CZ-CE1 4.43Å; F225-F571 AromaticContact CZ-CE2 3.45Å; F225-F571 HydrophobicContact CZ-CE2 3.45Å; F225-F571 VanDerWaalsContact CZ-CE2 3.45Å; F225-F571 AromaticContact CZ-CZ 3.67Å; F225-F571 HydrophobicContact CZ-CZ 3.67Å; L229-F571 HydrophobicContact CD1-CD1 3.53Å; L229-F571 HydrophobicContact CD1-CE1 3.49Å; L229-F571 VanDerWaalsContact CD1-CE1 3.49Å; L229-F571 HydrophobicContact CD1-CE2 4.49Å; L229-F571 HydrophobicContact CD1-CG 4.1Å; L229-F571 HydrophobicContact CD1-CZ 4.03Å; W463-F571 HydrophobicContact CZ2-CE1 4.29Å; W463-F571 HydrophobicContact CZ2-CZ 4.32Å; I467-F571 HydrophobicContact CG2-CE1 4.21Å; I567-F571 PolarHBondContact O-N 3.43Å; L568-F571 WeakPolarHBondContact O-CB 3.48Å; L568-F571 PolarHBondContact O-N 2.84Å; P569-F571 VanDerWaalsContact C-N 3.28Å; F571-V573 VanDerWaalsContact C-N 3.34Å; F571-V573 PolarHBondContact O-N 3.32Å; F571-I574 PolarHBondContact O-N 2.95Å; F571-Y575 HydrophobicContact CE1-CG 4.41Å; F571-Y575 HydrophobicContact CZ-CG 4.2Å; F571-Y575 VanDerWaalsContact O-CB 3.3Å; F571-Y575 WeakPolarHBondContact O-CB 3.46Å; F571-Y575 PolarHBondContact O-N 2.79Å
572Y92.3Very high92Very high1 Ų148.1 Ų48.10%0.00424%0.24CC..Hα-helixtrans-54.9-47.5177.7178.2-99.4000112.3I467 Y468 A555 W558 Y570 F576I467-Y572 HydrophobicContact CG2-CD2 4.44Å; Y468-Y572 HydrophobicContact CD1-CD2 4.32Å; Y468-Y572 AromaticContact CD1-CE2 3.69Å; Y468-Y572 HydrophobicContact CD1-CE2 3.69Å; Y468-Y572 AromaticContact CD2-CE2 3.8Å; Y468-Y572 HydrophobicContact CD2-CE2 3.8Å; Y468-Y572 AromaticContact CE1-CE2 3.74Å; Y468-Y572 HydrophobicContact CE1-CE2 3.74Å; Y468-Y572 AromaticContact CE2-CE2 3.85Å; Y468-Y572 HydrophobicContact CE2-CE2 3.85Å; Y468-Y572 WeakPolarHBondContact CE2-OH 3.27Å; Y468-Y572 HydrophobicContact CG-CD2 4.49Å; Y468-Y572 AromaticContact CG-CE2 3.7Å; Y468-Y572 HydrophobicContact CG-CE2 3.7Å; Y468-Y572 AromaticContact CZ-CE2 3.8Å; A555-Y572 HydrophobicContact CB-CD1 3.97Å; A555-Y572 HydrophobicContact CB-CE1 3.49Å; A555-Y572 VanDerWaalsContact CB-CE1 3.49Å; W558-Y572 HydrophobicContact CE3-CD1 4.21Å; W558-Y572 AromaticContact CE3-CE1 3.43Å; W558-Y572 HydrophobicContact CE3-CE1 3.43Å; W558-Y572 VanDerWaalsContact CE3-CE1 3.43Å; W558-Y572 AromaticContact CE3-CZ 3.85Å; W558-Y572 AromaticContact CZ3-CE1 3.61Å; W558-Y572 HydrophobicContact CZ3-CE1 3.61Å; W558-Y572 AromaticContact CZ3-CZ 3.56Å; W558-Y572 WeakPolarHBondContact CZ3-OH 3.35Å; Y570-Y572 PolarHBondContact O-N 3.32Å; Y572-F576 WeakPolarHBondContact O-CB 3.43Å; Y572-F576 PolarHBondContact O-N 2.93Å
573V94.6Very high91.9Very high22 Ų2250.5 Ų50.513%0.13325%0.249CC..Hα-helixtrans-65.6-41.9-179.5-173.60000110.9A555 S559 Y570 F571 F576 T577A555-V573 HydrophobicContact CB-CG2 4.36Å; A555-V573 WeakPolarHBondContact O-CG2 3.46Å; S559-V573 VanDerWaalsContact OG-CG2 3.32Å; S559-V573 WeakPolarHBondContact OG-CG2 3.22Å; Y570-V573 PolarHBondContact O-N 3.31Å; F571-V573 VanDerWaalsContact C-N 3.34Å; F571-V573 PolarHBondContact O-N 3.32Å; V573-F576 PolarHBondContact O-N 3.18Å; V573-T577 WeakPolarHBondContact O-CB 3.37Å; V573-T577 PolarHBondContact O-N 3.25Å; V573-T577 PolarHBondContact O-OG1 3.11Å
574I94Very high92Very high75 Ų7550.1 Ų50.139%0.38525%0.245SC..Hα-helixtrans-64-53.3179.5-63.5167.7000110Y570 F571 F576 T577 M578Y570-I574 WeakPolarHBondContact O-CG1 3.49Å; Y570-I574 PolarHBondContact O-N 3.46Å; Y570-I574 VanDerWaalsContact O-N 3.14Å; F571-I574 PolarHBondContact O-N 2.95Å; I574-F576 VanDerWaalsContact C-N 3.33Å; I574-F576 PolarHBondContact O-N 2.95Å; I574-T577 PolarHBondContact O-N 3.41Å; I574-M578 HydrophobicContact CG2-CE 3.8Å; I574-M578 WeakPolarHBondContact O-CG 3.3Å; I574-M578 PolarHBondContact O-N 3.24Å
575Y93.3Very high92Very high48 Ų4845.4 Ų45.419%0.18823%0.232CC..Hα-helixtrans-54.9-49175.6155.9-103.5000111.4W463 Y468 F571 T577 M578 L579W463-Y575 AromaticContact CD1-CZ 3.88Å; W463-Y575 AromaticContact CE2-CE2 3.96Å; W463-Y575 AromaticContact CE2-CZ 3.81Å; W463-Y575 AromaticContact CZ2-CD2 3.97Å; W463-Y575 HydrophobicContact CZ2-CD2 3.97Å; W463-Y575 AromaticContact CZ2-CE2 3.85Å; W463-Y575 HydrophobicContact CZ2-CE2 3.85Å; W463-Y575 HydrophobicContact CZ2-CG 4.36Å; W463-Y575 AromaticContact NE1-CD1 3.94Å; W463-Y575 AromaticContact NE1-CE1 3.21Å; W463-Y575 AromaticContact NE1-CE2 3.69Å; W463-Y575 AromaticContact NE1-CZ 3.06Å; W463-Y575 PolarHBondContact NE1-OH 2.82Å; W463-Y575 VanDerWaalsContact NE1-OH 3.15Å; Y468-Y575 HydrophobicContact CE1-CE1 4.37Å; F571-Y575 HydrophobicContact CE1-CG 4.41Å; F571-Y575 HydrophobicContact CZ-CG 4.2Å; F571-Y575 VanDerWaalsContact O-CB 3.3Å; F571-Y575 WeakPolarHBondContact O-CB 3.46Å; F571-Y575 PolarHBondContact O-N 2.79Å; Y575-T577 VanDerWaalsContact C-N 3.3Å; Y575-T577 PolarHBondContact O-N 3.49Å; Y575-M578 PolarHBondContact O-N 2.91Å; Y575-M578 VanDerWaalsContact O-N 3.17Å; Y575-L579 HydrophobicContact CE1-CD2 4.46Å; Y575-L579 HydrophobicContact CE2-CB 4.46Å; Y575-L579 WeakPolarHBondContact O-CB 3.37Å; Y575-L579 PolarHBondContact O-N 2.82Å
576F93.7Very high92.1Very high14 Ų1440.2 Ų40.26%0.06120%0.203CC..Hα-helixtrans-68.6-32.1-175.7-163.9-126.7000111.9D551 L552 A555 Y572 V573 I574 L579 L580D551-F576 HydrophobicContact CB-CE1 3.84Å; D551-F576 HydrophobicContact CB-CZ 4.28Å; L552-F576 HydrophobicContact CD2-CD1 4Å; A555-F576 HydrophobicContact CB-CD1 3.91Å; A555-F576 HydrophobicContact CB-CE1 4.47Å; Y572-F576 WeakPolarHBondContact O-CB 3.43Å; Y572-F576 PolarHBondContact O-N 2.93Å; V573-F576 PolarHBondContact O-N 3.18Å; I574-F576 VanDerWaalsContact C-N 3.33Å; I574-F576 PolarHBondContact O-N 2.95Å; F576-L579 HydrophobicContact CD2-CD2 3.91Å; F576-L579 HydrophobicContact CE2-CD2 4.1Å; F576-L579 PolarHBondContact O-N 3.16Å; F576-L580 HydrophobicContact CD1-CD1 3.93Å; F576-L580 HydrophobicContact CE1-CD1 3.75Å; F576-L580 HydrophobicContact CE1-CG 4.46Å; F576-L580 HydrophobicContact CE2-CG 4.47Å; F576-L580 HydrophobicContact CG-CD1 4.46Å; F576-L580 HydrophobicContact CZ-CD1 4.07Å; F576-L580 HydrophobicContact CZ-CD2 4.47Å; F576-L580 HydrophobicContact CZ-CG 4.38Å; F576-L580 WeakPolarHBondContact O-CB 3.47Å; F576-L580 VanDerWaalsContact O-CG 3.3Å; F576-L580 WeakPolarHBondContact O-CG 3.27Å; F576-L580 PolarHBondContact O-N 3.14Å
577T95.1Very high92.2Very high39 Ų3939.9 Ų39.924%0.23920%0.203CC..Hα-helixtrans-62.1-48.6169.8-55.30000111.3L552 V573 I574 Y575 L579 L580 V581L552-T577 HydrophobicContact CD1-CG2 4.44Å; L552-T577 WeakPolarHBondContact CD2-OG1 3.21Å; V573-T577 WeakPolarHBondContact O-CB 3.37Å; V573-T577 PolarHBondContact O-N 3.25Å; V573-T577 PolarHBondContact O-OG1 3.11Å; I574-T577 PolarHBondContact O-N 3.41Å; Y575-T577 VanDerWaalsContact C-N 3.3Å; Y575-T577 PolarHBondContact O-N 3.49Å; T577-L579 VanDerWaalsContact C-N 3.33Å; T577-L579 PolarHBondContact O-N 2.84Å; T577-L580 PolarHBondContact O-N 3Å; T577-V581 HydrophobicContact CG2-CG2 4.48Å; T577-V581 VanDerWaalsContact O-CG2 3.3Å; T577-V581 WeakPolarHBondContact O-CG2 3.44Å; T577-V581 PolarHBondContact O-N 3.14Å
578M94.1Very high92.3Very high132 Ų13236.4 Ų36.465%0.6518%0.184SC*.Hα-helixtrans-61-42.7176.9-66178.4-178.200111.8I574 Y575 V581 H582I574-M578 HydrophobicContact CG2-CE 3.8Å; I574-M578 WeakPolarHBondContact O-CG 3.3Å; I574-M578 PolarHBondContact O-N 3.24Å; Y575-M578 PolarHBondContact O-N 2.91Å; Y575-M578 VanDerWaalsContact O-N 3.17Å; M578-V581 PolarHBondContact O-N 2.8Å; M578-H582 WeakPolarHBondContact O-CB 3.49Å; M578-H582 PolarHBondContact O-N 2.76Å
579L92.2Very high92.2Very high53 Ų5341.7 Ų41.728%0.27721%0.205SC..Hα-helixtrans-59.9-47.5176.6-175.876.9000111.6Y575 F576 T577 H582 R583Y575-L579 HydrophobicContact CE1-CD2 4.46Å; Y575-L579 HydrophobicContact CE2-CB 4.46Å; Y575-L579 WeakPolarHBondContact O-CB 3.37Å; Y575-L579 PolarHBondContact O-N 2.82Å; F576-L579 HydrophobicContact CD2-CD2 3.91Å; F576-L579 HydrophobicContact CE2-CD2 4.1Å; F576-L579 PolarHBondContact O-N 3.16Å; T577-L579 VanDerWaalsContact C-N 3.33Å; T577-L579 PolarHBondContact O-N 2.84Å; L579-H582 PolarHBondContact O-N 3.16Å; L579-R583 VanDerWaalsContact O-CB 3.28Å; L579-R583 WeakPolarHBondContact O-CB 3.21Å; L579-R583 PolarHBondContact O-N 3.24Å
580L93.6Very high92Very high7 Ų744 Ų444%0.03722%0.216CC..Hα-helixtrans-70.5-35.5-178-72177.9000112.7Y548 D551 L552 F576 T577 R583 E584Y548-L580 HydrophobicContact CD1-CD2 3.77Å; Y548-L580 HydrophobicContact CD2-CD2 4.43Å; Y548-L580 HydrophobicContact CE1-CD2 4.17Å; Y548-L580 HydrophobicContact CG-CD2 3.94Å; D551-L580 HydrophobicContact CB-CD1 4.24Å; L552-L580 HydrophobicContact CD1-CD1 4.38Å; L552-L580 HydrophobicContact CD2-CD1 3.75Å; L552-L580 HydrophobicContact CG-CD1 3.71Å; F576-L580 HydrophobicContact CD1-CD1 3.93Å; F576-L580 HydrophobicContact CE1-CD1 3.75Å; F576-L580 HydrophobicContact CE1-CG 4.46Å; F576-L580 HydrophobicContact CE2-CG 4.47Å; F576-L580 HydrophobicContact CG-CD1 4.46Å; F576-L580 HydrophobicContact CZ-CD1 4.07Å; F576-L580 HydrophobicContact CZ-CD2 4.47Å; F576-L580 HydrophobicContact CZ-CG 4.38Å; F576-L580 WeakPolarHBondContact O-CB 3.47Å; F576-L580 VanDerWaalsContact O-CG 3.3Å; F576-L580 WeakPolarHBondContact O-CG 3.27Å; F576-L580 PolarHBondContact O-N 3.14Å; T577-L580 PolarHBondContact O-N 3Å; L580-R583 PolarHBondContact O-N 3.41Å; L580-E584 VanDerWaalsContact O-CB 3.25Å; L580-E584 WeakPolarHBondContact O-CB 3.4Å; L580-E584 PolarHBondContact O-N 3.39Å
581V93.8Very high91.7Very high48 Ų4843.9 Ų43.929%0.29122%0.219SC..Hα-helixtrans-64.5-44.9172.4170.60000110.7T577 M578 R583 E584 A585 I610T577-V581 HydrophobicContact CG2-CG2 4.48Å; T577-V581 VanDerWaalsContact O-CG2 3.3Å; T577-V581 WeakPolarHBondContact O-CG2 3.44Å; T577-V581 PolarHBondContact O-N 3.14Å; M578-V581 PolarHBondContact O-N 2.8Å; V581-R583 PolarHBondContact O-N 3.33Å; V581-E584 PolarHBondContact O-N 2.96Å; V581-A585 PolarHBondContact O-N 3.27Å; V581-I610 HydrophobicContact CG2-CD1 4.27Å
582H91.3Very high91.6Very high79 Ų7947.6 Ų47.637%0.36624%0.235SC..Hα-helixtrans-63-42.3175.3-179.4-100.9000111.9F209 M578 L579 A585 R586F209-H582 AromaticContact CE1-CE1 3.53Å; F209-H582 AromaticContact CZ-CE1 3.86Å; M578-H582 WeakPolarHBondContact O-CB 3.49Å; M578-H582 PolarHBondContact O-N 2.76Å; L579-H582 PolarHBondContact O-N 3.16Å; H582-A585 PolarHBondContact O-N 2.82Å; H582-R586 PolarHBondContact O-N 2.96Å; H582-R586 VanDerWaalsContact O-N 3.15Å
583R91.1Very high91.4Very high52 Ų5255.3 Ų55.320%0.19627%0.269CS..Hα-helixtrans-64.4-42.7177.6-170.9174.4-176.5124.91111.9T444 D446 L579 L580 V581 R586 D587T444-R583 PolarHBondContact OG1-NH2 3.28Å; T444-R583 VanDerWaalsContact OG1-NH2 3.09Å; D446-R583 IonicContact OD1-NH1 2.66Å; D446-R583 PolarHBondContact OD1-NH1 3.05Å; D446-R583 IonicContact OD1-NH2 3.65Å; D446-R583 IonicContact OD2-CZ 3.2Å; D446-R583 VanDerWaalsContact OD2-CZ 3.31Å; D446-R583 IonicContact OD2-NH1 3.31Å; D446-R583 PolarHBondContact OD2-NH1 3.08Å; D446-R583 IonicContact OD2-NH2 3.37Å; D446-R583 PolarHBondContact OD2-NH2 2.91Å; L579-R583 VanDerWaalsContact O-CB 3.28Å; L579-R583 WeakPolarHBondContact O-CB 3.21Å; L579-R583 PolarHBondContact O-N 3.24Å; L580-R583 PolarHBondContact O-N 3.41Å; V581-R583 PolarHBondContact O-N 3.33Å; R583-R586 PolarHBondContact O-N 2.63Å; R583-D587 PolarHBondContact O-N 3.05Å
584E92.9Very high91Very high0 Ų059.1 Ų59.10%028%0.283CS..Hα-helixtrans-60.5-44.6174.7-179.7-87.7158.400111.7H545 Y548 L580 V581 R586 D587 E588 R609 I610 Y615H545-E584 VanDerWaalsContact CD2-CG 3.49Å; H545-E584 WeakPolarHBondContact CD2-CG 3.14Å; Y548-E584 HydrophobicContact CD2-CB 4.26Å; Y548-E584 HydrophobicContact CE2-CB 4.16Å; L580-E584 VanDerWaalsContact O-CB 3.25Å; L580-E584 WeakPolarHBondContact O-CB 3.4Å; L580-E584 PolarHBondContact O-N 3.39Å; V581-E584 PolarHBondContact O-N 2.96Å; E584-R586 VanDerWaalsContact C-N 3.29Å; E584-R586 PolarHBondContact O-N 3.07Å; E584-D587 PolarHBondContact O-N 3.32Å; E584-E588 WeakPolarHBondContact O-CB 3.31Å; E584-E588 WeakPolarHBondContact O-CG 3.49Å; E584-E588 PolarHBondContact O-N 3.4Å; E584-E588 WeakPolarHBondContact OE1-CG 3.13Å; E584-R609 HydrophobicContact CG-CB 4.31Å; E584-R609 WeakPolarHBondContact OE1-CB 3.38Å; E584-R609 WeakPolarHBondContact OE1-CD 3.44Å; E584-R609 WeakPolarHBondContact OE1-CG 3.32Å; E584-R609 IonicContact OE1-CZ 3.85Å; E584-R609 IonicContact OE1-NE 2.76Å; E584-R609 IonicContact OE1-NH1 3.77Å; E584-R609 PolarHBondContact OE1-NH1 3.48Å; E584-R609 VanDerWaalsContact OE1-NH1 3.1Å; E584-R609 IonicContact OE2-CZ 2.94Å; E584-R609 IonicContact OE2-NH1 2.96Å; E584-R609 PolarHBondContact OE2-NH1 3.5Å; E584-I610 HydrophobicContact CB-CD1 4.11Å; E584-I610 HydrophobicContact CG-CD1 4.35Å; E584-I610 HydrophobicContact CG-CG1 4.31Å; E584-Y615 PolarHBondContact OE2-OH 2.84Å
585A91.1Very high90.6Very high46 Ų4657 Ų5738%0.3827%0.271SS..Hα-helixtrans-60.9-37.6177.600000112.8V581 H582 Y589V581-A585 PolarHBondContact O-N 3.27Å; H582-A585 PolarHBondContact O-N 2.82Å; A585-Y589 PolarHBondContact O-N 2.77Å; A585-Y589 VanDerWaalsContact O-N 3.12Å
586R89.2Confident90.4Very high22 Ų2256.1 Ų56.18%0.08328%0.277CS..Hα-helixtrans-67.6-46.7173.6-69.1177.274-149.56.5111.6E208 M445 D450 H582 R583 E584 E588 Y589 H590E208-R586 VanDerWaalsContact CD-NE 3.33Å; E208-R586 IonicContact OE1-CZ 3.22Å; E208-R586 IonicContact OE1-NE 3.14Å; E208-R586 PolarHBondContact OE1-NE 2.82Å; E208-R586 IonicContact OE1-NH2 2.83Å; E208-R586 PolarHBondContact OE1-NH2 3.14Å; E208-R586 IonicContact OE2-CZ 3.2Å; E208-R586 VanDerWaalsContact OE2-CZ 3.3Å; E208-R586 IonicContact OE2-NE 3.22Å; E208-R586 PolarHBondContact OE2-NE 3.39Å; E208-R586 IonicContact OE2-NH2 2.61Å; E208-R586 PolarHBondContact OE2-NH2 2.89Å; M445-R586 HydrophobicContact CE-CB 4.19Å; M445-R586 HydrophobicContact SD-CB 4.39Å; D450-R586 IonicContact OD1-CZ 3.02Å; D450-R586 IonicContact OD1-NH1 3.96Å; D450-R586 IonicContact OD1-NH2 3.88Å; D450-R586 PolarHBondContact OD1-NH2 3.23Å; D450-R586 IonicContact OD2-CZ 3.69Å; D450-R586 IonicContact OD2-NH1 3.1Å; D450-R586 PolarHBondContact OD2-NH1 3.28Å; D450-R586 IonicContact OD2-NH2 2.95Å; D450-R586 PolarHBondContact OD2-NH2 2.7Å; H582-R586 PolarHBondContact O-N 2.96Å; H582-R586 VanDerWaalsContact O-N 3.15Å; R583-R586 PolarHBondContact O-N 2.63Å; E584-R586 VanDerWaalsContact C-N 3.29Å; E584-R586 PolarHBondContact O-N 3.07Å; R586-E588 VanDerWaalsContact C-N 3.3Å; R586-E588 PolarHBondContact O-N 2.77Å; R586-Y589 PolarHBondContact O-N 3.07Å; R586-H590 PolarHBondContact O-CD2 2.94Å; R586-H590 PolarHBondContact O-N 2.66Å
587D88.8Confident90.2Very high30 Ų3058.8 Ų58.816%0.1629%0.294CS..Hα-helixtrans-57.8-43176.9-82.3-22.3000111.4H545 Y548 R583 E584 H590 C591H545-D587 IonicContact CE1-OD2 3.21Å; Y548-D587 PolarHBondContact OH-OD2 3.13Å; R583-D587 PolarHBondContact O-N 3.05Å; E584-D587 PolarHBondContact O-N 3.32Å; D587-H590 PolarHBondContact O-N 2.84Å; D587-C591 VanDerWaalsContact O-CB 3.29Å; D587-C591 WeakPolarHBondContact O-CB 2.97Å; D587-C591 PolarHBondContact O-N 2.86Å; D587-C591 PolarHBondContact O-SG 3.5Å
588E90.4Very high90Very high22 Ų2257.5 Ų57.510%0.10329%0.288CS..Hα-helixtrans-58.5-49.1174.2-82.5-71.1157.300112.1R544 E584 R586 H590 C591 K592 W599R544-E588 IonicContact CZ-OE1 2.63Å; R544-E588 VanDerWaalsContact CZ-OE1 3.31Å; R544-E588 IonicContact NE-OE1 2.66Å; R544-E588 PolarHBondContact NE-OE1 3.33Å; R544-E588 IonicContact NH2-OE1 3.36Å; R544-E588 PolarHBondContact NH2-OE1 3.44Å; E584-E588 WeakPolarHBondContact O-CB 3.31Å; E584-E588 WeakPolarHBondContact O-CG 3.49Å; E584-E588 PolarHBondContact O-N 3.4Å; E584-E588 WeakPolarHBondContact OE1-CG 3.13Å; R586-E588 VanDerWaalsContact C-N 3.3Å; R586-E588 PolarHBondContact O-N 2.77Å; E588-H590 VanDerWaalsContact C-N 3.33Å; E588-H590 PolarHBondContact O-N 2.83Å; E588-C591 PolarHBondContact O-N 2.77Å; E588-K592 VanDerWaalsContact O-CB 3.29Å; E588-K592 WeakPolarHBondContact O-CB 3.41Å; E588-K592 PolarHBondContact O-N 3.34Å; E588-W599 WeakPolarHBondContact OE1-CZ2 3.34Å; E588-W599 PolarHBondContact OE2-NE1 2.91Å
589Y88.2Confident89.9Confident115 Ų11552 Ų5245%0.45126%0.259SS..Hα-helixtrans-59.3-45.5178176.4-93.6000111.2D206 A585 R586 K593D206-Y589 PolarHBondContact OD2-OH 2.82Å; A585-Y589 PolarHBondContact O-N 2.77Å; A585-Y589 VanDerWaalsContact O-N 3.12Å; R586-Y589 PolarHBondContact O-N 3.07Å; Y589-K593 HydrophobicContact CE1-CD 4.47Å; Y589-K593 WeakPolarHBondContact O-CB 3.33Å; Y589-K593 PolarHBondContact O-N 3.35Å
590H85Confident89.9Confident50 Ų5053.6 Ų53.623%0.23127%0.265CS..Hα-helixtrans-66.2-41.4177.6-68.3-49.2000112.7M445 R586 D587 E588 K593 K594M445-H590 WeakPolarHBondContact CE-CD2 3.45Å; M445-H590 WeakPolarHBondContact CE-NE2 3.5Å; R586-H590 PolarHBondContact O-CD2 2.94Å; R586-H590 PolarHBondContact O-N 2.66Å; D587-H590 PolarHBondContact O-N 2.84Å; E588-H590 VanDerWaalsContact C-N 3.33Å; E588-H590 PolarHBondContact O-N 2.83Å; H590-K593 PolarHBondContact O-N 2.83Å; H590-K594 WeakPolarHBondContact O-CB 3.39Å; H590-K594 PolarHBondContact O-N 3.46Å
591C88.7Confident89.8Confident29 Ų2957.3 Ų57.320%0.19628%0.281CS..Hα-helixtrans-67.5-40.6178.2-70.70000111.6D587 E588 K594 Y595 W599D587-C591 VanDerWaalsContact O-CB 3.29Å; D587-C591 WeakPolarHBondContact O-CB 2.97Å; D587-C591 PolarHBondContact O-N 2.86Å; D587-C591 PolarHBondContact O-SG 3.5Å; E588-C591 PolarHBondContact O-N 2.77Å; C591-K594 PolarHBondContact O-N 2.95Å; C591-Y595 HydrophobicContact CB-CD2 4.07Å; C591-Y595 HydrophobicContact CB-CE2 4.28Å; C591-Y595 WeakPolarHBondContact O-CB 3.36Å; C591-Y595 VanDerWaalsContact O-CD2 3.29Å; C591-Y595 WeakPolarHBondContact O-CD2 3.01Å; C591-Y595 PolarHBondContact O-N 2.87Å; C591-W599 HydrophobicContact CB-CD2 3.54Å; C591-W599 VanDerWaalsContact CB-CE2 3.45Å; C591-W599 HydrophobicContact CB-CE3 3.66Å; C591-W599 HydrophobicContact CB-CG 4.26Å; C591-W599 HydrophobicContact CB-CH2 3.65Å; C591-W599 HydrophobicContact CB-CZ2 3.52Å; C591-W599 HydrophobicContact CB-CZ3 3.72Å
592K89.7Confident89.8Confident115 Ų11555.3 Ų55.350%0.527%0.269SS..Hα-helixtrans-61.6-47.2174.1-172.9174.4-177.5175.70111.5E588 K594 G596 W599E588-K592 VanDerWaalsContact O-CB 3.29Å; E588-K592 WeakPolarHBondContact O-CB 3.41Å; E588-K592 PolarHBondContact O-N 3.34Å; K592-K594 VanDerWaalsContact C-N 3.26Å; K592-K594 PolarHBondContact O-N 3.26Å; K592-G596 VanDerWaalsContact O-CA 3.3Å; K592-G596 WeakPolarHBondContact O-CA 3.33Å; K592-G596 PolarHBondContact O-N 3.04Å; K592-W599 HydrophobicContact CB-CG 4.48Å
593K87.7Confident89.9Confident164 Ų16453 Ų5371%0.71326%0.261SS*.Hα-helixtrans-62.1-34.2177.3-173.2173.4-176.2170.80112.5Y589 H590Y589-K593 HydrophobicContact CE1-CD 4.47Å; Y589-K593 WeakPolarHBondContact O-CB 3.33Å; Y589-K593 PolarHBondContact O-N 3.35Å; H590-K593 PolarHBondContact O-N 2.83Å
594K86.2Confident89.9Confident102 Ų10258 Ų5844%0.44329%0.286SS..Hα-helixtrans-84.5-42.2-175.7-176.6177.7178.8-173.60114T530 H590 C591 K592T530-K594 HydrophobicContact CG2-CG 4.31Å; T530-K594 WeakPolarHBondContact CG2-O 3.35Å; H590-K594 WeakPolarHBondContact O-CB 3.39Å; H590-K594 PolarHBondContact O-N 3.46Å; C591-K594 PolarHBondContact O-N 2.95Å; K592-K594 VanDerWaalsContact C-N 3.26Å; K592-K594 PolarHBondContact O-N 3.26Å
595Y86.9Confident89.9Confident29 Ų2965.5 Ų65.511%0.11432%0.315CS..Hα-helixtrans-108.3-10.3-172.3-53.6-64.9000113.6T528 T530 K532 L534 C591 V597 A598 W599T528-Y595 HydrophobicContact CG2-CD1 3.77Å; T528-Y595 HydrophobicContact CG2-CE1 4.37Å; T528-Y595 HydrophobicContact CG2-CG 4.3Å; T530-Y595 HydrophobicContact CG2-CD1 4.05Å; T530-Y595 HydrophobicContact CG2-CE1 4.33Å; T530-Y595 WeakPolarHBondContact OG1-CE1 3.13Å; K532-Y595 HydrophobicContact CB-CE1 4.5Å; L534-Y595 HydrophobicContact CD1-CD2 4.45Å; L534-Y595 HydrophobicContact CD1-CG 4.47Å; L534-Y595 HydrophobicContact CD2-CD2 4.11Å; L534-Y595 HydrophobicContact CD2-CE1 4.49Å; L534-Y595 HydrophobicContact CD2-CE2 3.86Å; C591-Y595 HydrophobicContact CB-CD2 4.07Å; C591-Y595 HydrophobicContact CB-CE2 4.28Å; C591-Y595 WeakPolarHBondContact O-CB 3.36Å; C591-Y595 VanDerWaalsContact O-CD2 3.29Å; C591-Y595 WeakPolarHBondContact O-CD2 3.01Å; C591-Y595 PolarHBondContact O-N 2.87Å; Y595-V597 PolarHBondContact O-N 3.01Å; Y595-A598 WeakPolarHBondContact O-CB 3.39Å; Y595-A598 PolarHBondContact O-N 2.63Å; Y595-A598 VanDerWaalsContact O-N 3.14Å; Y595-W599 HydrophobicContact CD2-CE3 4.1Å
596G89.5Confident90Very high31 Ų3163.4 Ų63.432%0.3230%0.297SS..THydrogen-bonded Turntrans53.5-126.6174.600000112.8K592 A598 W599 E600K592-G596 VanDerWaalsContact O-CA 3.3Å; K592-G596 WeakPolarHBondContact O-CA 3.33Å; K592-G596 PolarHBondContact O-N 3.04Å; G596-A598 PolarHBondContact O-N 2.91Å; G596-A598 VanDerWaalsContact O-N 3.16Å; G596-W599 WeakPolarHBondContact O-CA 3.36Å; G596-W599 VanDerWaalsContact O-CB 3.22Å; G596-W599 WeakPolarHBondContact O-CB 3.37Å; G596-W599 PolarHBondContact O-N 2.83Å; G596-E600 PolarHBondContact O-N 2.89Å
597V89.6Confident90.2Very high69 Ų6965.9 Ų65.942%0.41832%0.316SS..Hα-helixtrans-57-31.7-178.7-177.50000112.8Y595 W599 E600 K601Y595-V597 PolarHBondContact O-N 3.01Å; V597-W599 VanDerWaalsContact C-N 3.27Å; V597-W599 PolarHBondContact O-N 2.86Å; V597-E600 PolarHBondContact O-N 2.88Å; V597-K601 WeakPolarHBondContact O-CG 3.26Å; V597-K601 PolarHBondContact O-N 3.37Å
598A89.8Confident90.5Very high13 Ų1367.8 Ų67.811%0.10732%0.322CS..Hα-helixtrans-67.3-30.717700000112.1I526 T528 Y595 G596 Y602I526-A598 HydrophobicContact CG2-CB 4.18Å; T528-A598 HydrophobicContact CG2-CB 3.88Å; Y595-A598 WeakPolarHBondContact O-CB 3.39Å; Y595-A598 PolarHBondContact O-N 2.63Å; Y595-A598 VanDerWaalsContact O-N 3.14Å; G596-A598 PolarHBondContact O-N 2.91Å; G596-A598 VanDerWaalsContact O-N 3.16Å; A598-Y602 PolarHBondContact O-N 2.82Å; A598-Y602 VanDerWaalsContact O-N 3.14Å
599W92.7Very high90.6Very high15 Ų1570.5 Ų70.56%0.05733%0.331CS..Hα-helixtrans-68.8-43.3171.5-167.5-114.3000111.3L534 E588 C591 K592 Y595 G596 V597 K601 Y602 C603L534-W599 HydrophobicContact CD1-CE3 3.86Å; L534-W599 HydrophobicContact CD1-CZ3 4.3Å; L534-W599 HydrophobicContact CD2-CZ3 4.31Å; E588-W599 WeakPolarHBondContact OE1-CZ2 3.34Å; E588-W599 PolarHBondContact OE2-NE1 2.91Å; C591-W599 HydrophobicContact CB-CD2 3.54Å; C591-W599 VanDerWaalsContact CB-CE2 3.45Å; C591-W599 HydrophobicContact CB-CE3 3.66Å; C591-W599 HydrophobicContact CB-CG 4.26Å; C591-W599 HydrophobicContact CB-CH2 3.65Å; C591-W599 HydrophobicContact CB-CZ2 3.52Å; C591-W599 HydrophobicContact CB-CZ3 3.72Å; K592-W599 HydrophobicContact CB-CG 4.48Å; Y595-W599 HydrophobicContact CD2-CE3 4.1Å; G596-W599 WeakPolarHBondContact O-CA 3.36Å; G596-W599 VanDerWaalsContact O-CB 3.22Å; G596-W599 WeakPolarHBondContact O-CB 3.37Å; G596-W599 PolarHBondContact O-N 2.83Å; V597-W599 VanDerWaalsContact C-N 3.27Å; V597-W599 PolarHBondContact O-N 2.86Å; W599-K601 VanDerWaalsContact C-N 3.33Å; W599-K601 PolarHBondContact O-N 3.48Å; W599-Y602 HydrophobicContact CD2-CD1 4.33Å; W599-Y602 AromaticContact CE3-CD1 3.76Å; W599-Y602 HydrophobicContact CE3-CD1 3.76Å; W599-Y602 HydrophobicContact CE3-CG 4.46Å; W599-Y602 AromaticContact CH2-CD1 3.71Å; W599-Y602 HydrophobicContact CH2-CD1 3.71Å; W599-Y602 AromaticContact CH2-CE1 3.73Å; W599-Y602 HydrophobicContact CH2-CE1 3.73Å; W599-Y602 HydrophobicContact CZ2-CD1 4.27Å; W599-Y602 HydrophobicContact CZ2-CE1 4.49Å; W599-Y602 AromaticContact CZ3-CD1 3.41Å; W599-Y602 HydrophobicContact CZ3-CD1 3.41Å; W599-Y602 VanDerWaalsContact CZ3-CD1 3.41Å; W599-Y602 AromaticContact CZ3-CE1 3.75Å; W599-Y602 HydrophobicContact CZ3-CE1 3.75Å; W599-Y602 HydrophobicContact CZ3-CG 4.38Å; W599-Y602 CarbonylContact O-C 3.49Å; W599-Y602 WeakPolarHBondContact O-CA 3.16Å; W599-Y602 VanDerWaalsContact O-CB 3.27Å; W599-Y602 WeakPolarHBondContact O-CB 3.24Å; W599-Y602 PolarHBondContact O-N 3.19Å; W599-C603 PolarHBondContact NE1-SG 3.27Å; W599-C603 PolarHBondContact O-N 2.63Å; W599-C603 PolarHBondContact O-SG 2.98Å
600E92.1Very high90.8Very high87 Ų8765 Ų6541%0.40731%0.309SS..Hα-helixtrans-61.7-42.5178.8-63.9178.7169.500111.5G596 V597 Y602 C603 Q604G596-E600 PolarHBondContact O-N 2.89Å; V597-E600 PolarHBondContact O-N 2.88Å; E600-Y602 PolarHBondContact O-N 3.25Å; E600-C603 PolarHBondContact O-N 2.87Å; E600-Q604 WeakPolarHBondContact O-CG 3.39Å; E600-Q604 PolarHBondContact O-N 3.31Å
601K92.1Very high91.2Very high85 Ų8565.7 Ų65.737%0.3731%0.312SS..Hα-helixtrans-60.7-34.1171.5-71.4176.5-178.1172.50112.4D43 I526 V597 W599 R605D43-K601 PolarHBondContact O-NZ 2.98Å; I526-K601 HydrophobicContact CD1-CB 4.38Å; V597-K601 WeakPolarHBondContact O-CG 3.26Å; V597-K601 PolarHBondContact O-N 3.37Å; W599-K601 VanDerWaalsContact C-N 3.33Å; W599-K601 PolarHBondContact O-N 3.48Å; K601-R605 PolarHBondContact O-N 2.93Å
602Y93.1Very high91.3Very high7 Ų765.9 Ų65.93%0.02731%0.312CS..Hα-helixtrans-68.7-48.3174.7177.5-114.8000111.4I526 L534 L535 V536 W540 R544 A598 W599 E600 Q604 R605 V606I526-Y602 HydrophobicContact CD1-CD2 4.45Å; L534-Y602 HydrophobicContact CD1-CG 4.48Å; L535-Y602 WeakPolarHBondContact O-CE2 3.43Å; V536-Y602 HydrophobicContact CB-CD2 4.35Å; V536-Y602 HydrophobicContact CB-CE2 4.32Å; V536-Y602 HydrophobicContact CG1-CD2 3.96Å; V536-Y602 HydrophobicContact CG1-CE2 4.06Å; V536-Y602 HydrophobicContact CG2-CD2 3.78Å; V536-Y602 HydrophobicContact CG2-CE2 4.1Å; W540-Y602 PolarHBondContact O-OH 2.81Å; R544-Y602 HydrophobicContact CB-CE1 4.18Å; R544-Y602 HydrophobicContact CG-CD1 4.46Å; R544-Y602 HydrophobicContact CG-CE1 3.67Å; A598-Y602 PolarHBondContact O-N 2.82Å; A598-Y602 VanDerWaalsContact O-N 3.14Å; W599-Y602 HydrophobicContact CD2-CD1 4.33Å; W599-Y602 AromaticContact CE3-CD1 3.76Å; W599-Y602 HydrophobicContact CE3-CD1 3.76Å; W599-Y602 HydrophobicContact CE3-CG 4.46Å; W599-Y602 AromaticContact CH2-CD1 3.71Å; W599-Y602 HydrophobicContact CH2-CD1 3.71Å; W599-Y602 AromaticContact CH2-CE1 3.73Å; W599-Y602 HydrophobicContact CH2-CE1 3.73Å; W599-Y602 HydrophobicContact CZ2-CD1 4.27Å; W599-Y602 HydrophobicContact CZ2-CE1 4.49Å; W599-Y602 AromaticContact CZ3-CD1 3.41Å; W599-Y602 HydrophobicContact CZ3-CD1 3.41Å; W599-Y602 VanDerWaalsContact CZ3-CD1 3.41Å; W599-Y602 AromaticContact CZ3-CE1 3.75Å; W599-Y602 HydrophobicContact CZ3-CE1 3.75Å; W599-Y602 HydrophobicContact CZ3-CG 4.38Å; W599-Y602 CarbonylContact O-C 3.49Å; W599-Y602 WeakPolarHBondContact O-CA 3.16Å; W599-Y602 VanDerWaalsContact O-CB 3.27Å; W599-Y602 WeakPolarHBondContact O-CB 3.24Å; W599-Y602 PolarHBondContact O-N 3.19Å; E600-Y602 PolarHBondContact O-N 3.25Å; Y602-Q604 VanDerWaalsContact C-N 3.27Å; Y602-Q604 PolarHBondContact O-N 3.31Å; Y602-R605 PolarHBondContact O-N 2.77Å; Y602-V606 HydrophobicContact CD2-CG2 4.29Å; Y602-V606 HydrophobicContact CE2-CB 4.25Å; Y602-V606 HydrophobicContact CE2-CG2 3.74Å; Y602-V606 PolarHBondContact O-N 3.08Å
603C92.8Very high91.3Very high29 Ų2968.7 Ų68.720%0.19632%0.321CS..Hα-helixtrans-60.1-35.1176.9-60.80000112.7W599 E600 R605 V606 P607W599-C603 PolarHBondContact NE1-SG 3.27Å; W599-C603 PolarHBondContact O-N 2.63Å; W599-C603 PolarHBondContact O-SG 2.98Å; E600-C603 PolarHBondContact O-N 2.87Å; C603-R605 VanDerWaalsContact C-N 3.34Å; C603-V606 CarbonylContact O-C 3.42Å; C603-V606 VanDerWaalsContact O-C 3.29Å; C603-P607 VanDerWaalsContact O-CA 3.31Å; C603-P607 WeakPolarHBondContact O-CA 3.35Å
604Q92.7Very high91.5Very high157 Ų15767.9 Ų67.973%0.73432%0.323SS*.Hα-helixtrans-66.1-34.6174.7-74.2173.61.200112.8E600 Y602E600-Q604 WeakPolarHBondContact O-CG 3.39Å; E600-Q604 PolarHBondContact O-N 3.31Å; Y602-Q604 VanDerWaalsContact C-N 3.27Å; Y602-Q604 PolarHBondContact O-N 3.31Å
605R91.8Very high91.7Very high159 Ų15966.8 Ų66.860%0.632%0.317SS*.Hα-helixtrans-81.4-34.9178.5-75-174.2178.6162.70112.9V536 K601 Y602 C603 P607V536-R605 HydrophobicContact CG1-CB 3.72Å; V536-R605 HydrophobicContact CG1-CG 4.42Å; K601-R605 PolarHBondContact O-N 2.93Å; Y602-R605 PolarHBondContact O-N 2.77Å; C603-R605 VanDerWaalsContact C-N 3.34Å; R605-P607 WeakPolarHBondContact O-CD 3.44Å
606V94Very high91.9Very high1 Ų168.7 Ų68.71%0.00633%0.327CS..  trans-123.682.3-179-169.50000107.3V536 V543 R544 Y602 C603 Y608V536-V606 HydrophobicContact CG1-CG2 3.75Å; V543-V606 VanDerWaalsContact C-CG1 3.48Å; R544-V606 WeakPolarHBondContact CD-O 3.39Å; R544-V606 HydrophobicContact CG-CB 3.95Å; R544-V606 HydrophobicContact CG-CG1 3.69Å; R544-V606 WeakPolarHBondContact CG-O 3.08Å; R544-V606 PolarHBondContact NH1-O 3.4Å; Y602-V606 HydrophobicContact CD2-CG2 4.29Å; Y602-V606 HydrophobicContact CE2-CB 4.25Å; Y602-V606 HydrophobicContact CE2-CG2 3.74Å; Y602-V606 PolarHBondContact O-N 3.08Å; C603-V606 CarbonylContact O-C 3.42Å; C603-V606 VanDerWaalsContact O-C 3.29Å; V606-Y608 VanDerWaalsContact C-N 3.35Å; V606-Y608 PolarHBondContact O-N 2.96Å
607P92.6Very high92.1Very high74 Ų7470.7 Ų70.748%0.48133%0.327SS..  trans-70.5-32.4-171.826.7-34.1000112.6R544 C603 R605R544-P607 VanDerWaalsContact NH1-C 3.31Å; R544-P607 PolarHBondContact NH1-O 3.44Å; C603-P607 VanDerWaalsContact O-CA 3.31Å; C603-P607 WeakPolarHBondContact O-CA 3.35Å; R605-P607 WeakPolarHBondContact O-CD 3.44Å
608Y95.1Very high92.2Very high71 Ų7170.8 Ų70.828%0.27832%0.322SS..  trans-80.5133.6-176.3-51.8-59000112.4V543 R544 V606 Y613 Y615V543-Y608 WeakPolarHBondContact CA-O 3.45Å; R544-Y608 WeakPolarHBondContact CG-O 3.39Å; R544-Y608 PolarHBondContact N-O 3.21Å; V606-Y608 VanDerWaalsContact C-N 3.35Å; V606-Y608 PolarHBondContact O-N 2.96Å; Y608-Y613 VanDerWaalsContact CD1-N 3.29Å; Y608-Y613 VanDerWaalsContact CE1-N 3.33Å; Y608-Y613 AromaticContact CE2-CD1 3.84Å; Y608-Y613 HydrophobicContact CE2-CD1 3.84Å; Y608-Y613 HydrophobicContact CE2-CE1 4.01Å; Y608-Y613 HydrophobicContact CE2-CG 4.36Å; Y608-Y613 AromaticContact CZ-CD1 3.66Å; Y608-Y613 VanDerWaalsContact OH-CD1 3.24Å; Y608-Y613 WeakPolarHBondContact OH-CD1 3.41Å; Y608-Y615 CarbonylContact C-O 3.58Å; Y608-Y615 WeakPolarHBondContact CA-O 3.32Å
609R93Very high92.3Very high79 Ų7974.2 Ų74.230%0.29834%0.335SS..SBendtrans-83.2-61.2-176.5-67168.6177-127.211.6111.3R544 H545 E584 Y615R544-R609 PolarHBondContact N-O 3.18Å; H545-R609 WeakPolarHBondContact CB-O 3.28Å; H545-R609 PolarHBondContact N-O 3.49Å; E584-R609 HydrophobicContact CG-CB 4.31Å; E584-R609 WeakPolarHBondContact OE1-CB 3.38Å; E584-R609 WeakPolarHBondContact OE1-CD 3.44Å; E584-R609 WeakPolarHBondContact OE1-CG 3.32Å; E584-R609 IonicContact OE1-CZ 3.85Å; E584-R609 IonicContact OE1-NE 2.76Å; E584-R609 IonicContact OE1-NH1 3.77Å; E584-R609 PolarHBondContact OE1-NH1 3.48Å; E584-R609 VanDerWaalsContact OE1-NH1 3.1Å; E584-R609 IonicContact OE2-CZ 2.94Å; E584-R609 IonicContact OE2-NH1 2.96Å; E584-R609 PolarHBondContact OE2-NH1 3.5Å; R609-Y615 HydrophobicContact CB-CD1 3.7Å; R609-Y615 HydrophobicContact CB-CE1 3.55Å; R609-Y615 WeakPolarHBondContact CB-O 3.5Å; R609-Y615 WeakPolarHBondContact CD-OH 3.27Å; R609-Y615 HydrophobicContact CG-CD1 4.45Å; R609-Y615 HydrophobicContact CG-CE1 4.12Å; R609-Y615 VanDerWaalsContact N-C 3.31Å; R609-Y615 PolarHBondContact N-O 2.71Å; R609-Y615 PolarHBondContact N-OXT 3.28Å; R609-Y615 PolarHBondContact NH1-OH 3.47Å
610I93Very high92.3Very high0 Ų077.9 Ų77.90%035%0.352CS..SBendtrans-127.8-50.2-174.8-57.5176.3000110H545 Y548 L549 L552 V581 E584 Y615H545-I610 HydrophobicContact CB-CG1 4.33Å; Y548-I610 HydrophobicContact CD2-CD1 4.41Å; L549-I610 HydrophobicContact CB-CG2 4.26Å; L552-I610 HydrophobicContact CD1-CG2 4.12Å; V581-I610 HydrophobicContact CG2-CD1 4.27Å; E584-I610 HydrophobicContact CB-CD1 4.11Å; E584-I610 HydrophobicContact CG-CD1 4.35Å; E584-I610 HydrophobicContact CG-CG1 4.31Å; I610-Y615 HydrophobicContact CB-CD1 4.27Å; I610-Y615 HydrophobicContact CD1-CE1 4.26Å; I610-Y615 HydrophobicContact CG1-CD1 4.4Å; I610-Y615 HydrophobicContact CG1-CE1 4.32Å; I610-Y615 PolarHBondContact N-OXT 2.76Å
611F92.6Very high92.3Very high64 Ų6477.3 Ų77.328%0.28135%0.348SS..SBendtrans-101111.6-174.6-63.1-74.8000109.6L549 L552 Y613 I614 Y615L549-F611 HydrophobicContact CD1-CD1 4.02Å; L549-F611 HydrophobicContact CD1-CE1 4.28Å; L552-F611 HydrophobicContact CD1-CE1 4.12Å; L552-F611 HydrophobicContact CD1-CE2 4.31Å; L552-F611 HydrophobicContact CD1-CZ 3.57Å; F611-Y613 PolarHBondContact O-N 2.78Å; F611-I614 HydrophobicContact CB-CB 3.91Å; F611-I614 HydrophobicContact CB-CD1 4.49Å; F611-I614 PolarHBondContact O-N 3.09Å; F611-I614 VanDerWaalsContact O-N 3.11Å; F611-Y615 HydrophobicContact CD2-CD1 4.49Å; F611-Y615 PolarHBondContact N-OXT 3.48Å; F611-Y615 CarbonylContact O-C 3.56Å; F611-Y615 PolarHBondContact O-N 3.26Å
612P89.9Confident92.4Very high32 Ų3276.7 Ų76.721%0.20835%0.347CS..THydrogen-bonded Turntrans-59.2136.4-178.528.6-35.9000109.9F542 V543 I614F542-P612 HydrophobicContact CD1-CB 4.49Å; F542-P612 HydrophobicContact CE1-CB 3.67Å; F542-P612 HydrophobicContact CE1-CG 3.67Å; F542-P612 HydrophobicContact CE2-CB 3.99Å; F542-P612 HydrophobicContact CZ-CB 3.37Å; F542-P612 HydrophobicContact CZ-CG 3.63Å; V543-P612 HydrophobicContact CG1-CB 3.88Å; V543-P612 HydrophobicContact CG1-CG 4.44Å; P612-I614 PolarHBondContact O-N 2.64Å; P612-I614 VanDerWaalsContact O-N 3.13Å
613Y90.5Very high92.3Very high175 Ų17582.1 Ų82.169%0.68637%0.372SS*.THydrogen-bonded Turntrans65.64-179.3-47.9-76.8000116.3F542 Y608 F611F542-Y613 HydrophobicContact CE2-CE2 4.32Å; Y608-Y613 VanDerWaalsContact CD1-N 3.29Å; Y608-Y613 VanDerWaalsContact CE1-N 3.33Å; Y608-Y613 AromaticContact CE2-CD1 3.84Å; Y608-Y613 HydrophobicContact CE2-CD1 3.84Å; Y608-Y613 HydrophobicContact CE2-CE1 4.01Å; Y608-Y613 HydrophobicContact CE2-CG 4.36Å; Y608-Y613 AromaticContact CZ-CD1 3.66Å; Y608-Y613 VanDerWaalsContact OH-CD1 3.24Å; Y608-Y613 WeakPolarHBondContact OH-CD1 3.41Å; F611-Y613 PolarHBondContact O-N 2.78Å
614I92Very high92.3Very high146 Ų14686.5 Ų86.575%0.74939%0.386SS*.THydrogen-bonded Turntrans-125.3-54.1-178.3-55.4174.3000111.3F611 P612F611-I614 HydrophobicContact CB-CB 3.91Å; F611-I614 HydrophobicContact CB-CD1 4.49Å; F611-I614 PolarHBondContact O-N 3.09Å; F611-I614 VanDerWaalsContact O-N 3.11Å; P612-I614 PolarHBondContact O-N 2.64Å; P612-I614 VanDerWaalsContact O-N 3.13Å
615Y90.1Very high92.2Very high80 Ų8080.1 Ų80.131%0.31436%0.355SS..  trans-147.20-174176.8-96.4000110.7E584 Y608 R609 I610 F611E584-Y615 PolarHBondContact OE2-OH 2.84Å; Y608-Y615 CarbonylContact C-O 3.58Å; Y608-Y615 WeakPolarHBondContact CA-O 3.32Å; R609-Y615 HydrophobicContact CB-CD1 3.7Å; R609-Y615 HydrophobicContact CB-CE1 3.55Å; R609-Y615 WeakPolarHBondContact CB-O 3.5Å; R609-Y615 WeakPolarHBondContact CD-OH 3.27Å; R609-Y615 HydrophobicContact CG-CD1 4.45Å; R609-Y615 HydrophobicContact CG-CE1 4.12Å; R609-Y615 VanDerWaalsContact N-C 3.31Å; R609-Y615 PolarHBondContact N-O 2.71Å; R609-Y615 PolarHBondContact N-OXT 3.28Å; R609-Y615 PolarHBondContact NH1-OH 3.47Å; I610-Y615 HydrophobicContact CB-CD1 4.27Å; I610-Y615 HydrophobicContact CD1-CE1 4.26Å; I610-Y615 HydrophobicContact CG1-CD1 4.4Å; I610-Y615 HydrophobicContact CG1-CE1 4.32Å; I610-Y615 PolarHBondContact N-OXT 2.76Å; F611-Y615 HydrophobicContact CD2-CD1 4.49Å; F611-Y615 PolarHBondContact N-OXT 3.48Å; F611-Y615 CarbonylContact O-C 3.56Å; F611-Y615 PolarHBondContact O-N 3.26Å

Retrieved 615 of 615 residues in 380.8 ms (Link to these results)

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