A0A087X689_POEFO Loading...

Phosphatidylinositol 3-kinase regulatory subunit alpha

AlphaFold DB , UniProt , Accession A0A087X689, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 734 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
1M45.2Very low75.3Confident218 Ų21856.6 Ų56.6100%1.07429%0.288SS*.  0114.10-71.3-163.2-95.800106.9
2S45.5Very low75.8Confident79 Ų7959.6 Ų59.655%0.55229%0.294SS*.  trans-67.6139174.2-50.90000108.2W81S2-W81 VanDerWaalsContact O-CZ3 3.27Å; S2-W81 WeakPolarHBondContact O-CZ3 3.17Å
3V62.6Low76.4Confident54 Ų5463.8 Ų63.833%0.32731%0.312SS..EExtended strand (participates in β ladder)trans-106.2135.5177-175.20000107.5G5 I82 P84V3-G5 PolarHBondContact O-N 2.86Å; V3-I82 PolarHBondContact N-O 3.18Å; V3-I82 PolarHBondContact O-N 2.8Å; V3-P84 HydrophobicContact CG2-CB 4.18Å
4E73.6Confident76.8Confident55 Ų5559.9 Ų59.926%0.25729%0.293SS..EExtended strand (participates in β ladder)trans-58.3133.2173.5-165-179-168.200108.6K34 K79E4-K34 HydrophobicContact CB-CB 4.45Å; E4-K34 HydrophobicContact CB-CD 4.16Å; E4-K34 HydrophobicContact CG-CD 4.49Å; E4-K34 WeakPolarHBondContact O-CB 3.09Å; E4-K34 PolarHBondContact O-N 3Å; E4-K34 WeakPolarHBondContact OE2-CD 3.44Å; E4-K34 IonicContact OE2-NZ 3.97Å; E4-K34 PolarHBondContact OE2-NZ 3.41Å; E4-K79 WeakPolarHBondContact OE1-CD 3.28Å; E4-K79 IonicContact OE1-NZ 2.85Å; E4-K79 PolarHBondContact OE1-NZ 2.9Å
5G81.1Confident77.1Confident0 Ų065.9 Ų65.90%032%0.317CS..EExtended strand (participates in β ladder)trans-141.5169.7-179.200000111.9V3 V32 K79 K80V3-G5 PolarHBondContact O-N 2.86Å; G5-V32 CarbonylContact C-O 3.53Å; G5-V32 VanDerWaalsContact CA-O 3.29Å; G5-V32 WeakPolarHBondContact CA-O 3.31Å; G5-K79 CarbonylContact O-C 3.49Å; G5-K79 WeakPolarHBondContact O-CA 3.28Å; G5-K80 CarbonylContact C-O 3.58Å; G5-K80 VanDerWaalsContact CA-O 3.28Å; G5-K80 WeakPolarHBondContact CA-O 3.32Å; G5-K80 PolarHBondContact N-O 3.39Å; G5-K80 PolarHBondContact O-N 2.79Å
6Y86.4Confident77.4Confident3 Ų367.2 Ų67.21%0.01232%0.32CS..EExtended strand (participates in β ladder)trans-123.2138.8-171.9-56.3-66.4000109.8V32 K34 L37 E47 Y76 K79Y6-V32 PolarHBondContact N-O 2.85Å; Y6-V32 PolarHBondContact O-N 3.47Å; Y6-K34 HydrophobicContact CE2-CB 3.92Å; Y6-K34 HydrophobicContact CE2-CG 4.08Å; Y6-L37 HydrophobicContact CD2-CD1 3.3Å; Y6-L37 HydrophobicContact CE2-CD1 3.49Å; Y6-L37 VanDerWaalsContact CE2-CD1 3.49Å; Y6-L37 HydrophobicContact CG-CD1 4.34Å; Y6-E47 HydrophobicContact CD1-CB 3.99Å; Y6-E47 HydrophobicContact CD1-CG 3.84Å; Y6-E47 HydrophobicContact CD2-CB 4.11Å; Y6-E47 HydrophobicContact CE1-CB 4.02Å; Y6-E47 HydrophobicContact CE1-CG 3.57Å; Y6-E47 HydrophobicContact CE2-CB 4.09Å; Y6-E47 HydrophobicContact CE2-CG 4.45Å; Y6-E47 HydrophobicContact CG-CB 4.01Å; Y6-E47 HydrophobicContact CG-CG 4.38Å; Y6-Y76 AromaticContact CD1-CE2 3.84Å; Y6-Y76 HydrophobicContact CD1-CE2 3.84Å; Y6-Y76 HydrophobicContact CG-CE2 4.29Å; Y6-K79 HydrophobicContact CD1-CG 4.09Å; Y6-K79 HydrophobicContact CE1-CD 4.41Å; Y6-K79 HydrophobicContact CE1-CG 4.08Å
7Q88.2Confident77.1Confident40 Ų4072.3 Ų72.319%0.18734%0.344CS..EExtended strand (participates in β ladder)trans-107131.8-178.9-169.2179.116.500109.4I29 L30 L31 V77 G78Q7-I29 HydrophobicContact CG-CG2 3.69Å; Q7-L30 CarbonylContact C-O 3.53Å; Q7-L30 VanDerWaalsContact CA-O 3.32Å; Q7-L30 WeakPolarHBondContact CA-O 3.34Å; Q7-L31 HydrophobicContact CB-CD2 4.19Å; Q7-L31 HydrophobicContact CG-CD2 4.29Å; Q7-V77 HydrophobicContact CB-CB 4.41Å; Q7-V77 HydrophobicContact CG-CB 4.32Å; Q7-V77 PolarHBondContact O-N 3.48Å; Q7-G78 PolarHBondContact N-O 3.31Å; Q7-G78 PolarHBondContact O-N 3.12Å
8Y87.9Confident76.8Confident0 Ų076.2 Ų76.20%036%0.355CS..EExtended strand (participates in β ladder)trans-123.1151.1176.7-58-89.7000110.2I29 L30 V32 E47 P50 L56 F69 V74 E75 Y76Y8-I29 CarbonylContact O-C 3.3Å; Y8-I29 WeakPolarHBondContact O-CA 3.16Å; Y8-L30 PolarHBondContact N-O 3.34Å; Y8-L30 PolarHBondContact O-N 3.38Å; Y8-V32 HydrophobicContact CD2-CB 4.37Å; Y8-V32 HydrophobicContact CD2-CG2 3.75Å; Y8-V32 HydrophobicContact CE2-CB 3.84Å; Y8-V32 HydrophobicContact CE2-CG2 3.58Å; Y8-E47 VanDerWaalsContact CE1-O 3.29Å; Y8-E47 WeakPolarHBondContact CE1-O 3.39Å; Y8-E47 PolarHBondContact OH-O 3.25Å; Y8-E47 VanDerWaalsContact OH-O 3.14Å; Y8-P50 HydrophobicContact CD1-CB 3.87Å; Y8-P50 HydrophobicContact CD1-CG 3.91Å; Y8-P50 HydrophobicContact CE1-CB 3.64Å; Y8-P50 HydrophobicContact CE1-CG 3.91Å; Y8-L56 HydrophobicContact CE1-CD1 4.37Å; Y8-L56 HydrophobicContact CE2-CD1 4.4Å; Y8-F69 HydrophobicContact CD2-CZ 4.47Å; Y8-V74 HydrophobicContact CD1-CG2 3.98Å; Y8-V74 HydrophobicContact CG-CG2 4.13Å; Y8-E75 CarbonylContact C-O 3.43Å; Y8-E75 WeakPolarHBondContact CA-O 3.25Å; Y8-E75 WeakPolarHBondContact CB-O 3.28Å; Y8-Y76 HydrophobicContact CD1-CD2 4.3Å; Y8-Y76 AromaticContact CE1-CD2 3.76Å; Y8-Y76 HydrophobicContact CE1-CD2 3.76Å; Y8-Y76 HydrophobicContact CE1-CG 4.43Å
9R87.9Confident76.5Confident106 Ų10682 Ų8240%0.438%0.382SS..EExtended strand (participates in β ladder)trans-114.9129.1174.5177.3169.965-152.52.3109.5L11 D28 I29 V74 E75 V77R9-L11 PolarHBondContact O-N 3.23Å; R9-D28 CarbonylContact C-O 3.54Å; R9-D28 VanDerWaalsContact CA-O 3.27Å; R9-D28 WeakPolarHBondContact CA-O 3.46Å; R9-I29 HydrophobicContact CB-CD1 4.16Å; R9-I29 HydrophobicContact CG-CD1 4.32Å; R9-V74 CarbonylContact O-C 3.35Å; R9-V74 WeakPolarHBondContact O-CA 3.38Å; R9-E75 HydrophobicContact CB-CG 4.05Å; R9-E75 IonicContact CZ-OE1 2.99Å; R9-E75 PolarHBondContact N-O 2.99Å; R9-E75 IonicContact NE-OE1 2.98Å; R9-E75 PolarHBondContact NE-OE1 2.81Å; R9-E75 IonicContact NH2-OE1 3.35Å; R9-E75 PolarHBondContact NH2-OE1 3.15Å; R9-E75 IonicContact NH2-OE2 3.07Å; R9-E75 PolarHBondContact O-N 2.76Å; R9-V77 HydrophobicContact CB-CG2 3.49Å; R9-V77 VanDerWaalsContact CB-CG2 3.49Å
10A88.3Confident76.3Confident1 Ų181.7 Ų81.71%0.00838%0.381CS..EExtended strand (participates in β ladder)trans-68.5126.3175.700000110.7L24 H25 G27 D28A10-L24 HydrophobicContact CB-CB 4.19Å; A10-L24 HydrophobicContact CB-CD1 4.4Å; A10-H25 VanDerWaalsContact CB-O 3.28Å; A10-H25 WeakPolarHBondContact CB-O 3.38Å; A10-G27 PolarHBondContact O-N 3.09Å; A10-D28 HydrophobicContact CB-CB 4.02Å; A10-D28 PolarHBondContact N-O 3.32Å
11L82Confident76.7Confident67 Ų6778 Ų7835%0.35136%0.363SS..  trans-94.8-26.9176.8-73178.6000112.3R9 Y73 E75R9-L11 PolarHBondContact O-N 3.23Å; L11-Y73 PolarHBondContact N-O 3.23Å; L11-E75 HydrophobicContact CD1-CB 3.95Å; L11-E75 HydrophobicContact CD1-CG 4.37Å; L11-E75 HydrophobicContact CD2-CG 4.16Å; L11-E75 VanDerWaalsContact CD2-OE1 3.27Å; L11-E75 WeakPolarHBondContact CD2-OE1 3.05Å; L11-E75 HydrophobicContact CG-CB 4.21Å; L11-E75 HydrophobicContact CG-CG 4.13Å
12Y80.6Confident78.6Confident92 Ų9267.6 Ų67.636%0.36131%0.312SS..SBendtrans-134151.8-174.4-55.6-80.1000110.3Y73 A98Y12-Y73 VanDerWaalsContact CB-CD1 3.46Å; Y12-Y73 HydrophobicContact CG-CD1 4.45Å; Y12-Y73 PolarHBondContact N-O 2.69Å; Y12-A98 HydrophobicContact CE2-CB 4.47Å
13E83.3Confident80.5Confident114 Ų11466.5 Ų66.553%0.53330%0.3SS..  trans-73.6130.2174.7-164.5-178159.300109.6L24 Y73E13-L24 CarbonylContact C-O 3.51Å; E13-L24 VanDerWaalsContact CA-O 3.25Å; E13-L24 WeakPolarHBondContact CA-O 3.27Å; E13-L24 WeakPolarHBondContact CG-O 3.02Å; E13-Y73 WeakPolarHBondContact O-CE1 3.37Å
14Y83Confident81.6Confident10 Ų1064 Ų644%0.03929%0.285CS..BIsolated β-bridgetrans-125.6121.8174.8178-103.1000108.6D21 I22 D23 L24 W55 P70 Y73 P96Y14-D21 HydrophobicContact CE1-CB 4.04Å; Y14-D21 PolarHBondContact OH-OD2 2.61Å; Y14-I22 WeakPolarHBondContact CD1-O 3.16Å; Y14-D23 WeakPolarHBondContact O-CA 3.49Å; Y14-L24 PolarHBondContact N-O 2.89Å; Y14-L24 PolarHBondContact O-N 2.83Å; Y14-W55 HydrophobicContact CE1-CH2 4.16Å; Y14-W55 HydrophobicContact CE1-CZ3 4.37Å; Y14-W55 HydrophobicContact CE2-CH2 4.33Å; Y14-W55 AromaticContact CZ-CH2 3.72Å; Y14-W55 WeakPolarHBondContact OH-CH2 3.48Å; Y14-P70 HydrophobicContact CD1-CG 4.37Å; Y14-P70 HydrophobicContact CD2-CG 3.92Å; Y14-P70 HydrophobicContact CE2-CG 4.31Å; Y14-P70 HydrophobicContact CG-CG 3.98Å; Y14-Y73 HydrophobicContact CD2-CE1 4.37Å; Y14-P96 HydrophobicContact CE2-CG 3.99Å
15K81.1Confident82.1Confident150 Ų15065.8 Ų65.865%0.65229%0.293SS*.  trans-92.7128.1174-72.3-176.1178.5178.10109.3E17 D23K15-E17 PolarHBondContact O-N 2.69Å; K15-D23 WeakPolarHBondContact CA-OD1 3.27Å
16K81.7Confident82.3Confident86 Ų8670.7 Ų70.737%0.37432%0.323SS..  trans-53.1116.3177178175.6-174.2151.70111R18 E19 D21 D23K16-R18 WeakPolarHBondContact CE-O 3.04Å; K16-R18 WeakPolarHBondContact CG-O 3.14Å; K16-E19 VanDerWaalsContact CE-C 3.41Å; K16-E19 VanDerWaalsContact CE-CA 3.41Å; K16-E19 WeakPolarHBondContact CE-O 3.29Å; K16-E19 PolarHBondContact NZ-O 2.89Å; K16-D21 WeakPolarHBondContact CD-O 3.48Å; K16-D21 WeakPolarHBondContact CE-O 3.28Å; K16-D21 HydrophobicContact CG-CB 4.18Å; K16-D21 PolarHBondContact NZ-O 3.42Å; K16-D23 VanDerWaalsContact CB-OD1 3.23Å; K16-D23 WeakPolarHBondContact CB-OD1 3.49Å; K16-D23 PolarHBondContact N-OD1 3Å
17E72Confident82Confident154 Ų15472.5 Ų72.572%0.7234%0.342SS*.  trans-96.1-24176.6-66.5-175.7168.900112.4K15K15-E17 PolarHBondContact O-N 2.69Å
18R71.3Confident82Confident143 Ų14371 Ų7154%0.5434%0.336SS..SBendtrans-129.6153.3178.6-55.6179.4179.7-165-1110.8K16 E20 D21K16-R18 WeakPolarHBondContact CE-O 3.04Å; K16-R18 WeakPolarHBondContact CG-O 3.14Å; R18-E20 PolarHBondContact O-N 2.86Å; R18-D21 WeakPolarHBondContact CB-OD2 3.29Å; R18-D21 PolarHBondContact N-OD2 2.98Å; R18-D21 VanDerWaalsContact N-OD2 3.11Å; R18-D21 PolarHBondContact O-N 2.81Å
19E71.2Confident82Confident186 Ų18673 Ų7387%0.86935%0.345SS*.THydrogen-bonded Turntrans-55.4-23.2179.1-73.9-174.2171.900114.5K16K16-E19 VanDerWaalsContact CE-C 3.41Å; K16-E19 VanDerWaalsContact CE-CA 3.41Å; K16-E19 WeakPolarHBondContact CE-O 3.29Å; K16-E19 PolarHBondContact NZ-O 2.89Å
20E73.4Confident81.9Confident76 Ų7667.9 Ų67.936%0.35533%0.326SS..THydrogen-bonded Turntrans-85.7-12.9-179-55.6-171.5139.100114.1R18 G67 D68 R90 R93R18-E20 PolarHBondContact O-N 2.86Å; E20-G67 WeakPolarHBondContact O-CA 3.36Å; E20-D68 PolarHBondContact O-N 3.05Å; E20-R90 IonicContact OE1-CZ 3.48Å; E20-R90 IonicContact OE1-NH1 3.11Å; E20-R90 PolarHBondContact OE1-NH1 2.79Å; E20-R90 IonicContact OE1-NH2 3.22Å; E20-R90 PolarHBondContact OE1-NH2 2.92Å; E20-R93 IonicContact OE2-CZ 3.11Å; E20-R93 IonicContact OE2-NH1 3.02Å; E20-R93 PolarHBondContact OE2-NH1 2.81Å; E20-R93 IonicContact OE2-NH2 3.74Å; E20-R93 PolarHBondContact OE2-NH2 3.47Å
21D85Confident81.9Confident3 Ų368.6 Ų68.62%0.01633%0.33CS..BIsolated β-bridgetrans-90.7162.2-177.9-43.4-34.5000111Y14 K16 R18 W55 D68Y14-D21 HydrophobicContact CE1-CB 4.04Å; Y14-D21 PolarHBondContact OH-OD2 2.61Å; K16-D21 WeakPolarHBondContact CD-O 3.48Å; K16-D21 WeakPolarHBondContact CE-O 3.28Å; K16-D21 HydrophobicContact CG-CB 4.18Å; K16-D21 PolarHBondContact NZ-O 3.42Å; R18-D21 WeakPolarHBondContact CB-OD2 3.29Å; R18-D21 PolarHBondContact N-OD2 2.98Å; R18-D21 VanDerWaalsContact N-OD2 3.11Å; R18-D21 PolarHBondContact O-N 2.81Å; D21-W55 HydrophobicContact CB-CZ3 4.45Å; D21-D68 WeakPolarHBondContact CA-O 3.37Å
22I84.1Confident82Confident1 Ų165.4 Ų65.41%0.00531%0.313CS..  trans-111.3144.3173.755.8173.5000111.5Y14 L24 L30 N60 E65 D68 F69Y14-I22 WeakPolarHBondContact CD1-O 3.16Å; I22-L24 HydrophobicContact CD1-CD2 4.03Å; I22-L24 HydrophobicContact CG1-CD2 4.13Å; I22-L30 HydrophobicContact CD1-CD2 3.94Å; I22-N60 HydrophobicContact CD1-CB 4.11Å; I22-E65 HydrophobicContact CG2-CB 3.88Å; I22-D68 PolarHBondContact N-O 2.96Å; I22-D68 VanDerWaalsContact N-O 3.16Å; I22-F69 HydrophobicContact CD1-CB 4.04Å; I22-F69 HydrophobicContact CD1-CD1 3.55Å; I22-F69 HydrophobicContact CD1-CE1 4.38Å; I22-F69 HydrophobicContact CD1-CG 4.17Å; I22-F69 HydrophobicContact CG1-CB 3.82Å; I22-F69 HydrophobicContact CG1-CD1 4.19Å; I22-F69 HydrophobicContact CG1-CG 4.48Å
23D84.8Confident82.1Confident56 Ų5661.7 Ų61.730%0.29930%0.301SS..  trans-69.3134.6170-73.9-44.3000109.8Y14 K15 K16 N60Y14-D23 WeakPolarHBondContact O-CA 3.49Å; K15-D23 WeakPolarHBondContact CA-OD1 3.27Å; K16-D23 VanDerWaalsContact CB-OD1 3.23Å; K16-D23 WeakPolarHBondContact CB-OD1 3.49Å; K16-D23 PolarHBondContact N-OD1 3Å; D23-N60 PolarHBondContact O-ND2 3.45Å
24L86.4Confident81.8Confident0 Ų058.7 Ų58.70%029%0.286CS..BIsolated β-bridgetrans-114.2129.1173.6-57.4-175.7000109.9A10 E13 Y14 I22 L30 F69 V74A10-L24 HydrophobicContact CB-CB 4.19Å; A10-L24 HydrophobicContact CB-CD1 4.4Å; E13-L24 CarbonylContact C-O 3.51Å; E13-L24 VanDerWaalsContact CA-O 3.25Å; E13-L24 WeakPolarHBondContact CA-O 3.27Å; E13-L24 WeakPolarHBondContact CG-O 3.02Å; Y14-L24 PolarHBondContact N-O 2.89Å; Y14-L24 PolarHBondContact O-N 2.83Å; I22-L24 HydrophobicContact CD1-CD2 4.03Å; I22-L24 HydrophobicContact CG1-CD2 4.13Å; L24-L30 HydrophobicContact CD1-CD1 4.29Å; L24-L30 HydrophobicContact CD2-CD1 3.53Å; L24-L30 HydrophobicContact CD2-CD2 3.68Å; L24-L30 HydrophobicContact CD2-CG 4.15Å; L24-F69 HydrophobicContact CD1-CB 4.04Å; L24-F69 HydrophobicContact CD2-CB 4.13Å; L24-F69 HydrophobicContact CG-CB 4.31Å; L24-V74 HydrophobicContact CD1-CG1 3.96Å
25H85.4Confident81.3Confident94 Ų9460.2 Ų60.244%0.43530%0.304SS..  trans-105.8149.2165.4-57.486.6000109.9A10 G27 D28A10-H25 VanDerWaalsContact CB-O 3.28Å; A10-H25 WeakPolarHBondContact CB-O 3.38Å; H25-G27 PolarHBondContact O-N 3.14Å; H25-D28 PolarHBondContact N-OD2 3.24Å; H25-D28 IonicContact ND1-OD2 3.77Å; H25-D28 VanDerWaalsContact O-CB 3.28Å; H25-D28 WeakPolarHBondContact O-CB 3.33Å; H25-D28 PolarHBondContact O-N 3.44Å
26V84.1Confident80.8Confident103 Ų10353.2 Ų53.262%0.62428%0.275SS*.THydrogen-bonded Turntrans-57.5123.4179-178.90000109.9
27G80.8Confident80.4Confident40 Ų4049.5 Ų49.541%0.41226%0.259SS..THydrogen-bonded Turntrans96.3-5.5-177.200000115.2A10 H25A10-G27 PolarHBondContact O-N 3.09Å; H25-G27 PolarHBondContact O-N 3.14Å
28D87.2Confident80.4Confident10 Ų1046.5 Ų46.55%0.05325%0.251CS..  trans-60.9145.1176.7-81.8-14.5000112.6R9 A10 H25 N60 T62R9-D28 CarbonylContact C-O 3.54Å; R9-D28 VanDerWaalsContact CA-O 3.27Å; R9-D28 WeakPolarHBondContact CA-O 3.46Å; A10-D28 HydrophobicContact CB-CB 4.02Å; A10-D28 PolarHBondContact N-O 3.32Å; H25-D28 PolarHBondContact N-OD2 3.24Å; H25-D28 IonicContact ND1-OD2 3.77Å; H25-D28 VanDerWaalsContact O-CB 3.28Å; H25-D28 WeakPolarHBondContact O-CB 3.33Å; H25-D28 PolarHBondContact O-N 3.44Å; D28-N60 PolarHBondContact OD2-ND2 2.95Å; D28-T62 WeakPolarHBondContact OD1-CB 3.07Å; D28-T62 WeakPolarHBondContact OD1-CG2 3.45Å; D28-T62 PolarHBondContact OD1-OG1 3.39Å
29I87.8Confident80.2Confident40 Ų4041.5 Ų41.521%0.20524%0.24CC..EExtended strand (participates in β ladder)trans-105.1120.9-179.3-63.8-58.5000109.8Q7 Y8 R9 E61 T62Q7-I29 HydrophobicContact CG-CG2 3.69Å; Y8-I29 CarbonylContact O-C 3.3Å; Y8-I29 WeakPolarHBondContact O-CA 3.16Å; R9-I29 HydrophobicContact CB-CD1 4.16Å; R9-I29 HydrophobicContact CG-CD1 4.32Å; I29-E61 HydrophobicContact CB-CB 4.46Å; I29-E61 HydrophobicContact CG2-CB 4.39Å; I29-E61 HydrophobicContact CG2-CG 4.33Å; I29-E61 WeakPolarHBondContact CG2-OE2 3.42Å; I29-E61 PolarHBondContact O-N 3.06Å; I29-T62 PolarHBondContact N-OG1 2.96Å
30L86.8Confident79.9Confident0 Ų035.3 Ų35.30%021%0.213CC..EExtended strand (participates in β ladder)trans-113140.2-176.6-52.1175000111Q7 Y8 I22 L24 F59 N60 F69 V74Q7-L30 CarbonylContact C-O 3.53Å; Q7-L30 VanDerWaalsContact CA-O 3.32Å; Q7-L30 WeakPolarHBondContact CA-O 3.34Å; Y8-L30 PolarHBondContact N-O 3.34Å; Y8-L30 PolarHBondContact O-N 3.38Å; I22-L30 HydrophobicContact CD1-CD2 3.94Å; L24-L30 HydrophobicContact CD1-CD1 4.29Å; L24-L30 HydrophobicContact CD2-CD1 3.53Å; L24-L30 HydrophobicContact CD2-CD2 3.68Å; L24-L30 HydrophobicContact CD2-CG 4.15Å; L30-F59 CarbonylContact C-O 3.15Å; L30-F59 WeakPolarHBondContact CA-O 3.47Å; L30-N60 HydrophobicContact CD2-CB 3.42Å; L30-N60 VanDerWaalsContact CD2-CB 3.42Å; L30-F69 HydrophobicContact CB-CE1 3.88Å; L30-F69 HydrophobicContact CB-CE2 4.32Å; L30-F69 HydrophobicContact CB-CZ 3.68Å; L30-F69 HydrophobicContact CD1-CB 4.48Å; L30-F69 HydrophobicContact CD1-CD1 3.84Å; L30-F69 HydrophobicContact CD1-CD2 3.44Å; L30-F69 VanDerWaalsContact CD1-CD2 3.44Å; L30-F69 HydrophobicContact CD1-CE1 3.76Å; L30-F69 HydrophobicContact CD1-CE2 3.4Å; L30-F69 HydrophobicContact CD1-CG 3.66Å; L30-F69 HydrophobicContact CD1-CZ 3.54Å; L30-F69 HydrophobicContact CG-CE1 4.29Å; L30-F69 HydrophobicContact CG-CE2 4.5Å; L30-F69 HydrophobicContact CG-CZ 4.23Å; L30-V74 HydrophobicContact CD1-CG1 3.58Å
31L87.2Confident79.2Confident15 Ų1534.9 Ų34.98%0.07923%0.229CC..EExtended strand (participates in β ladder)trans-116.9125179.6-76178.1000111.5Q7 G58 F59 E61 K80 I82Q7-L31 HydrophobicContact CB-CD2 4.19Å; Q7-L31 HydrophobicContact CG-CD2 4.29Å; L31-G58 CarbonylContact O-C 3.42Å; L31-G58 WeakPolarHBondContact O-CA 3.29Å; L31-F59 PolarHBondContact N-O 3.45Å; L31-F59 PolarHBondContact O-N 2.81Å; L31-E61 HydrophobicContact CD1-CG 3.52Å; L31-E61 VanDerWaalsContact CD1-OE1 3.27Å; L31-E61 WeakPolarHBondContact CD1-OE1 3.44Å; L31-E61 HydrophobicContact CG-CG 3.85Å; L31-K80 HydrophobicContact CD1-CD 4.45Å; L31-K80 HydrophobicContact CD2-CB 4.15Å; L31-K80 HydrophobicContact CD2-CD 3.7Å; L31-K80 HydrophobicContact CD2-CG 4.5Å; L31-I82 HydrophobicContact CB-CD1 3.92Å; L31-I82 HydrophobicContact CD2-CD1 3.99Å; L31-I82 HydrophobicContact CD2-CG1 4.31Å; L31-I82 HydrophobicContact CG-CD1 4.37Å
32V85.6Confident78.3Confident0 Ų037 Ų370%024%0.238CC..EExtended strand (participates in β ladder)trans-120.5132.4177.4-179.20000108.9G5 Y6 Y8 L37 L56 F69G5-V32 CarbonylContact C-O 3.53Å; G5-V32 VanDerWaalsContact CA-O 3.29Å; G5-V32 WeakPolarHBondContact CA-O 3.31Å; Y6-V32 PolarHBondContact N-O 2.85Å; Y6-V32 PolarHBondContact O-N 3.47Å; Y8-V32 HydrophobicContact CD2-CB 4.37Å; Y8-V32 HydrophobicContact CD2-CG2 3.75Å; Y8-V32 HydrophobicContact CE2-CB 3.84Å; Y8-V32 HydrophobicContact CE2-CG2 3.58Å; V32-L37 HydrophobicContact CG1-CD1 4.27Å; V32-L37 HydrophobicContact CG1-CD2 4.42Å; V32-L37 HydrophobicContact CG1-CG 3.91Å; V32-L56 HydrophobicContact CG2-CB 4.33Å; V32-F69 HydrophobicContact CG2-CE1 4.06Å; V32-F69 HydrophobicContact CG2-CZ 3.58Å
33S82Confident77Confident15 Ų1541.4 Ų41.411%0.10527%0.27CS..EExtended strand (participates in β ladder)trans-80.1145.1177.670.10000111.5G35 A36 L37S33-G35 PolarHBondContact O-N 2.99Å; S33-A36 WeakPolarHBondContact O-CB 3.21Å; S33-A36 PolarHBondContact O-N 3.1Å; S33-A36 WeakPolarHBondContact OG-CB 3.27Å; S33-A36 PolarHBondContact OG-N 3.16Å; S33-L37 PolarHBondContact O-N 3.34Å
34K77.6Confident75.8Confident50 Ų5044 Ų4422%0.21728%0.284CS..Hα-helixtrans-57.3-36175.6-176.2172.9-170.1169.50112.1E4 Y6 A36 L37 V38 D44E4-K34 HydrophobicContact CB-CB 4.45Å; E4-K34 HydrophobicContact CB-CD 4.16Å; E4-K34 HydrophobicContact CG-CD 4.49Å; E4-K34 WeakPolarHBondContact O-CB 3.09Å; E4-K34 PolarHBondContact O-N 3Å; E4-K34 WeakPolarHBondContact OE2-CD 3.44Å; E4-K34 IonicContact OE2-NZ 3.97Å; E4-K34 PolarHBondContact OE2-NZ 3.41Å; Y6-K34 HydrophobicContact CE2-CB 3.92Å; Y6-K34 HydrophobicContact CE2-CG 4.08Å; K34-A36 VanDerWaalsContact C-N 3.29Å; K34-A36 PolarHBondContact O-N 3.22Å; K34-L37 PolarHBondContact O-N 2.61Å; K34-V38 HydrophobicContact CG-CG2 4.47Å; K34-V38 WeakPolarHBondContact O-CG2 3.47Å; K34-V38 PolarHBondContact O-N 3.11Å; K34-D44 WeakPolarHBondContact CE-OD1 3.21Å; K34-D44 IonicContact NZ-OD1 2.86Å; K34-D44 PolarHBondContact NZ-OD1 2.81Å; K34-D44 IonicContact NZ-OD2 3.89Å
35G71.6Confident74.6Confident42 Ų4246 Ų4643%0.43330%0.304SS..Hα-helixtrans-61.8-33.4175.400000113.8S33 A39S33-G35 PolarHBondContact O-N 2.99Å; G35-A39 WeakPolarHBondContact O-CB 3.27Å; G35-A39 PolarHBondContact O-N 2.84Å
36A71.8Confident73.6Confident3 Ų344.3 Ų44.33%0.02530%0.298CS..Hα-helixtrans-72.9-37178.500000112.4S33 K34 A39 L40 P57 P87S33-A36 WeakPolarHBondContact O-CB 3.21Å; S33-A36 PolarHBondContact O-N 3.1Å; S33-A36 WeakPolarHBondContact OG-CB 3.27Å; S33-A36 PolarHBondContact OG-N 3.16Å; K34-A36 VanDerWaalsContact C-N 3.29Å; K34-A36 PolarHBondContact O-N 3.22Å; A36-A39 PolarHBondContact O-N 2.79Å; A36-L40 WeakPolarHBondContact O-CG 3.19Å; A36-L40 PolarHBondContact O-N 2.96Å; A36-P57 HydrophobicContact CB-CG 3.93Å; A36-P87 HydrophobicContact CB-CG 3.83Å
37L72.1Confident73Confident8 Ų840.1 Ų40.14%0.04227%0.271CS..Hα-helixtrans-68-41.1173.9-75.9172.1000112.7Y6 V32 S33 K34 A39 L40 G41 H42 E47 I53 L56Y6-L37 HydrophobicContact CD2-CD1 3.3Å; Y6-L37 HydrophobicContact CE2-CD1 3.49Å; Y6-L37 VanDerWaalsContact CE2-CD1 3.49Å; Y6-L37 HydrophobicContact CG-CD1 4.34Å; V32-L37 HydrophobicContact CG1-CD1 4.27Å; V32-L37 HydrophobicContact CG1-CD2 4.42Å; V32-L37 HydrophobicContact CG1-CG 3.91Å; S33-L37 PolarHBondContact O-N 3.34Å; K34-L37 PolarHBondContact O-N 2.61Å; L37-A39 VanDerWaalsContact C-N 3.29Å; L37-A39 PolarHBondContact O-N 3.4Å; L37-L40 PolarHBondContact O-N 3.43Å; L37-L40 VanDerWaalsContact O-N 3.14Å; L37-G41 PolarHBondContact O-N 2.79Å; L37-H42 PolarHBondContact O-N 2.84Å; L37-E47 HydrophobicContact CD1-CB 4.16Å; L37-I53 HydrophobicContact CD2-CD1 3.78Å; L37-I53 HydrophobicContact CD2-CG2 4.03Å; L37-L56 HydrophobicContact CD2-CD2 3.49Å; L37-L56 VanDerWaalsContact CD2-CD2 3.49Å
38V73.1Confident72.6Confident91 Ų9144.1 Ų44.155%0.55228%0.279SS*.Hα-helixtrans-63.8-38.1174.8173.40000110.8K34 L40 G41K34-V38 HydrophobicContact CG-CG2 4.47Å; K34-V38 WeakPolarHBondContact O-CG2 3.47Å; K34-V38 PolarHBondContact O-N 3.11Å; V38-L40 PolarHBondContact O-N 2.84Å; V38-G41 PolarHBondContact O-N 2.78Å
39A66.8Low72Confident38 Ų3847.7 Ų47.731%0.31430%0.296SS..Hα-helixtrans-63.1-29.3175.300000112.9G35 A36 L37 G41 P89G35-A39 WeakPolarHBondContact O-CB 3.27Å; G35-A39 PolarHBondContact O-N 2.84Å; A36-A39 PolarHBondContact O-N 2.79Å; L37-A39 VanDerWaalsContact C-N 3.29Å; L37-A39 PolarHBondContact O-N 3.4Å; A39-G41 PolarHBondContact O-N 2.82Å; A39-P89 HydrophobicContact CB-CB 4.23Å; A39-P89 HydrophobicContact CB-CG 4.2Å; A39-P89 WeakPolarHBondContact O-CB 3.32Å; A39-P89 VanDerWaalsContact O-CG 3.32Å; A39-P89 WeakPolarHBondContact O-CG 3.38Å
40L64.3Low71.4Confident57 Ų5745.9 Ų45.930%0.29829%0.287SS..THydrogen-bonded Turntrans-80.61.2173.6-69.5169.2000113.4A36 L37 V38 P57 P89A36-L40 WeakPolarHBondContact O-CG 3.19Å; A36-L40 PolarHBondContact O-N 2.96Å; L37-L40 PolarHBondContact O-N 3.43Å; L37-L40 VanDerWaalsContact O-N 3.14Å; V38-L40 PolarHBondContact O-N 2.84Å; L40-P57 HydrophobicContact CD1-CG 4.18Å; L40-P89 HydrophobicContact CD2-CB 4.44Å
41G58.7Low70.6Confident67 Ų6752.2 Ų52.269%0.69132%0.316SS*.THydrogen-bonded Turntrans83.812.4177.300000114.7L37 V38 A39L37-G41 PolarHBondContact O-N 2.79Å; V38-G41 PolarHBondContact O-N 2.78Å; A39-G41 PolarHBondContact O-N 2.82Å
42H66.6Low69.8Low47 Ų4757.5 Ų57.522%0.21834%0.339CS..PPolyproline II helixtrans-95.6127.7179.1-60-70.2000111.4L37 L46L37-H42 PolarHBondContact O-N 2.84Å; H42-L46 HydrophobicContact CB-CD1 4.1Å; H42-L46 WeakPolarHBondContact ND1-CD1 3.41Å
43S57.4Low69.1Low94 Ų9458 Ų5866%0.65734%0.341SS*.PPolyproline II helixtrans-94.7163.3175.9470000112.7G45S43-G45 PolarHBondContact O-N 2.87Å
44D57.9Low69Low111 Ų11157.8 Ų57.859%0.59434%0.341SS*.THydrogen-bonded Turntrans-46.6124.1-176.2-73.6-26.9000112K34K34-D44 WeakPolarHBondContact CE-OD1 3.21Å; K34-D44 IonicContact NZ-OD1 2.86Å; K34-D44 PolarHBondContact NZ-OD1 2.81Å; K34-D44 IonicContact NZ-OD2 3.89Å
45G61.5Low69.1Low42 Ų4257.5 Ų57.543%0.43334%0.339SS..THydrogen-bonded Turntrans125.4-26.918000000114.3S43 E47S43-G45 PolarHBondContact O-N 2.87Å; G45-E47 WeakPolarHBondContact CA-OE2 3.14Å; G45-E47 PolarHBondContact N-OE1 3.05Å; G45-E47 PolarHBondContact N-OE2 3.42Å
46L64.1Low69.6Low57 Ų5755.5 Ų55.530%0.29832%0.318SS..G310 helixtrans-82.5-18.9180-72.5174.1000113.5H42 Q48 Q49 I53H42-L46 HydrophobicContact CB-CD1 4.1Å; H42-L46 WeakPolarHBondContact ND1-CD1 3.41Å; L46-Q48 PolarHBondContact O-N 3.42Å; L46-Q48 VanDerWaalsContact O-N 3.09Å; L46-Q49 CarbonylContact O-C 3.51Å; L46-Q49 PolarHBondContact O-N 3.09Å; L46-I53 HydrophobicContact CB-CD1 4.45Å; L46-I53 HydrophobicContact CB-CG1 4.34Å; L46-I53 WeakPolarHBondContact O-CD1 3.19Å
47E72.8Confident70.2Confident15 Ų1556.7 Ų56.77%0.0733%0.326CS..G310 helixtrans-57.3-26.2177.665.6-85.2-169.600113.3Y6 Y8 L37 G45 Q49 Y76Y6-E47 HydrophobicContact CD1-CB 3.99Å; Y6-E47 HydrophobicContact CD1-CG 3.84Å; Y6-E47 HydrophobicContact CD2-CB 4.11Å; Y6-E47 HydrophobicContact CE1-CB 4.02Å; Y6-E47 HydrophobicContact CE1-CG 3.57Å; Y6-E47 HydrophobicContact CE2-CB 4.09Å; Y6-E47 HydrophobicContact CE2-CG 4.45Å; Y6-E47 HydrophobicContact CG-CB 4.01Å; Y6-E47 HydrophobicContact CG-CG 4.38Å; Y8-E47 VanDerWaalsContact CE1-O 3.29Å; Y8-E47 WeakPolarHBondContact CE1-O 3.39Å; Y8-E47 PolarHBondContact OH-O 3.25Å; Y8-E47 VanDerWaalsContact OH-O 3.14Å; L37-E47 HydrophobicContact CD1-CB 4.16Å; G45-E47 WeakPolarHBondContact CA-OE2 3.14Å; G45-E47 PolarHBondContact N-OE1 3.05Å; G45-E47 PolarHBondContact N-OE2 3.42Å; E47-Q49 PolarHBondContact O-N 3.24Å; E47-Y76 HydrophobicContact CB-CE2 4.3Å; E47-Y76 HydrophobicContact CG-CE2 4.07Å; E47-Y76 WeakPolarHBondContact O-CD2 3.4Å
48Q73.1Confident70.8Confident124 Ų12456.7 Ų56.758%0.57933%0.328SS*.G310 helixtrans-78.7-11178.4-58.7-175.710.400112.6L46 P50 Y76L46-Q48 PolarHBondContact O-N 3.42Å; L46-Q48 VanDerWaalsContact O-N 3.09Å; Q48-P50 WeakPolarHBondContact O-CD 3.42Å; Q48-Y76 HydrophobicContact CB-CD1 4.36Å; Q48-Y76 HydrophobicContact CG-CD1 4.07Å; Q48-Y76 HydrophobicContact CG-CE1 3.99Å
49Q73.4Confident71.3Confident85 Ų8555.5 Ų55.540%0.39732%0.315SS..  trans-126.568.2-178.2-63.6-172.9-10.500110.4L46 E47 Q51 K52L46-Q49 CarbonylContact O-C 3.51Å; L46-Q49 PolarHBondContact O-N 3.09Å; E47-Q49 PolarHBondContact O-N 3.24Å; Q49-Q51 PolarHBondContact O-N 3.42Å; Q49-K52 HydrophobicContact CB-CD 4.44Å; Q49-K52 HydrophobicContact CB-CG 4.41Å; Q49-K52 PolarHBondContact O-N 3.33Å; Q49-K52 VanDerWaalsContact OE1-CD 3.23Å
50P74.3Confident72.2Confident3 Ų353.7 Ų53.72%0.01930%0.3CS..Hα-helixtrans-56.2-29-177.323.4-34.7000113.2Y8 Q48 K52 I53 G54 L56 G71 V74Y8-P50 HydrophobicContact CD1-CB 3.87Å; Y8-P50 HydrophobicContact CD1-CG 3.91Å; Y8-P50 HydrophobicContact CE1-CB 3.64Å; Y8-P50 HydrophobicContact CE1-CG 3.91Å; Q48-P50 WeakPolarHBondContact O-CD 3.42Å; P50-K52 PolarHBondContact O-N 3.01Å; P50-I53 PolarHBondContact O-N 3.39Å; P50-I53 VanDerWaalsContact O-N 3.09Å; P50-G54 PolarHBondContact O-N 3.22Å; P50-L56 HydrophobicContact CB-CD1 3.77Å; P50-G71 CarbonylContact C-O 3.49Å; P50-G71 WeakPolarHBondContact CB-O 3.38Å; P50-G71 WeakPolarHBondContact O-CA 3.43Å; P50-V74 HydrophobicContact CB-CG2 3.77Å; P50-V74 HydrophobicContact CG-CG2 3.99Å; P50-V74 WeakPolarHBondContact CG-O 3.41Å
51Q72Confident73.1Confident132 Ų13254 Ų5462%0.61730%0.3SS*.Hα-helixtrans-60.7-27176.70.2-171.316.500113.7Q49 G71 T72Q49-Q51 PolarHBondContact O-N 3.42Å; Q51-G71 PolarHBondContact N-O 3.32Å; Q51-T72 HydrophobicContact CB-CG2 4.25Å
52K69.9Low74Confident127 Ų12755 Ų5555%0.55229%0.293SS*.Hα-helixtrans-89.3-14.3177.2-67.1-170.6-177.9168.40113.7Q49 P50Q49-K52 HydrophobicContact CB-CD 4.44Å; Q49-K52 HydrophobicContact CB-CG 4.41Å; Q49-K52 PolarHBondContact O-N 3.33Å; Q49-K52 VanDerWaalsContact OE1-CD 3.23Å; P50-K52 PolarHBondContact O-N 3.01Å
53I70.9Confident74.6Confident11 Ų1155 Ų556%0.05630%0.297CS..Hα-helixtrans-84.9-27.9-179.7-55.5176.8000110.5L37 L46 P50 L56L37-I53 HydrophobicContact CD2-CD1 3.78Å; L37-I53 HydrophobicContact CD2-CG2 4.03Å; L46-I53 HydrophobicContact CB-CD1 4.45Å; L46-I53 HydrophobicContact CB-CG1 4.34Å; L46-I53 WeakPolarHBondContact O-CD1 3.19Å; P50-I53 PolarHBondContact O-N 3.39Å; P50-I53 VanDerWaalsContact O-N 3.09Å; I53-L56 HydrophobicContact CB-CD2 4.1Å; I53-L56 HydrophobicContact CD1-CD2 4.1Å; I53-L56 HydrophobicContact CG2-CD2 3.5Å; I53-L56 VanDerWaalsContact CG2-CD2 3.5Å; I53-L56 HydrophobicContact CG2-CG 4.31Å
54G79.3Confident75.6Confident10 Ų1056.9 Ų56.910%0.10330%0.295CS..  trans83.6-123.2-176.800000110.8P50 G71P50-G54 PolarHBondContact O-N 3.22Å; G54-G71 WeakPolarHBondContact O-CA 3.47Å; G54-G71 PolarHBondContact O-N 3.36Å
55W80.1Confident76.6Confident43 Ų4355.4 Ų55.416%0.16328%0.284CS..EExtended strand (participates in β ladder)trans-80.6130.2-178.8-73.890000112Y14 D21 D68 F69 P70 P94 L95 P96Y14-W55 HydrophobicContact CE1-CH2 4.16Å; Y14-W55 HydrophobicContact CE1-CZ3 4.37Å; Y14-W55 HydrophobicContact CE2-CH2 4.33Å; Y14-W55 AromaticContact CZ-CH2 3.72Å; Y14-W55 WeakPolarHBondContact OH-CH2 3.48Å; D21-W55 HydrophobicContact CB-CZ3 4.45Å; W55-D68 HydrophobicContact CE3-CB 3.99Å; W55-F69 VanDerWaalsContact CE3-C 3.43Å; W55-P70 HydrophobicContact CH2-CG 4.45Å; W55-P70 HydrophobicContact CZ3-CG 4.46Å; W55-P94 PolarHBondContact NE1-O 2.99Å; W55-L95 HydrophobicContact CG-CD2 4.43Å; W55-P96 HydrophobicContact CH2-CG 4.49Å; W55-P96 HydrophobicContact CZ2-CG 3.97Å
56L82.6Confident77.5Confident0 Ų059.7 Ų59.70%029%0.291CS..EExtended strand (participates in β ladder)trans-113.1121.9-177.2-72.6170000110.6Y8 V32 L37 P50 I53 G58 D68 F69 V74Y8-L56 HydrophobicContact CE1-CD1 4.37Å; Y8-L56 HydrophobicContact CE2-CD1 4.4Å; V32-L56 HydrophobicContact CG2-CB 4.33Å; L37-L56 HydrophobicContact CD2-CD2 3.49Å; L37-L56 VanDerWaalsContact CD2-CD2 3.49Å; P50-L56 HydrophobicContact CB-CD1 3.77Å; I53-L56 HydrophobicContact CB-CD2 4.1Å; I53-L56 HydrophobicContact CD1-CD2 4.1Å; I53-L56 HydrophobicContact CG2-CD2 3.5Å; I53-L56 VanDerWaalsContact CG2-CD2 3.5Å; I53-L56 HydrophobicContact CG2-CG 4.31Å; L56-G58 PolarHBondContact O-N 3.46Å; L56-D68 WeakPolarHBondContact O-CA 3.37Å; L56-F69 HydrophobicContact CB-CD2 4.05Å; L56-F69 HydrophobicContact CB-CE1 4.21Å; L56-F69 HydrophobicContact CB-CE2 3.57Å; L56-F69 HydrophobicContact CB-CZ 3.69Å; L56-F69 HydrophobicContact CD1-CE2 3.77Å; L56-F69 HydrophobicContact CD1-CZ 4.29Å; L56-F69 HydrophobicContact CG-CE2 4.31Å; L56-F69 PolarHBondContact N-O 3.05Å; L56-F69 WeakPolarHBondContact O-CD1 3.32Å; L56-F69 WeakPolarHBondContact O-CE1 3.4Å; L56-F69 PolarHBondContact O-N 3.14Å; L56-V74 HydrophobicContact CD1-CG2 4.42Å
57P83.2Confident78.5Confident29 Ų2957.6 Ų57.619%0.18828%0.283CS..EExtended strand (participates in β ladder)trans-77119.6170.529.2-33.4000109.5A36 L40 D68A36-P57 HydrophobicContact CB-CG 3.93Å; L40-P57 HydrophobicContact CD1-CG 4.18Å; P57-D68 VanDerWaalsContact CA-OD1 3.3Å; P57-D68 WeakPolarHBondContact CA-OD1 3.5Å; P57-D68 VanDerWaalsContact CB-OD1 3.31Å; P57-D68 WeakPolarHBondContact CB-OD1 3.32Å
58G84.8Confident79Confident8 Ų858.6 Ų58.68%0.08229%0.289CS..EExtended strand (participates in β ladder)trans-159.3-166.1177.100000114.7L31 L56 K66 G67L31-G58 CarbonylContact O-C 3.42Å; L31-G58 WeakPolarHBondContact O-CA 3.29Å; L56-G58 PolarHBondContact O-N 3.46Å; G58-K66 WeakPolarHBondContact O-CA 3.16Å; G58-G67 PolarHBondContact N-O 3.4Å; G58-G67 PolarHBondContact O-N 3.02Å; G58-G67 VanDerWaalsContact O-N 3.07Å; G58-G67 VanDerWaalsContact O-O 3.07Å
59F84.4Confident79.6Confident66 Ų6652.7 Ų52.729%0.28926%0.262SS..EExtended strand (participates in β ladder)trans-128.4123.9-172.8176.3-101.2000109.4L30 L31 E61 Q64 E65 K66L30-F59 CarbonylContact C-O 3.15Å; L30-F59 WeakPolarHBondContact CA-O 3.47Å; L31-F59 PolarHBondContact N-O 3.45Å; L31-F59 PolarHBondContact O-N 2.81Å; F59-E61 HydrophobicContact CD1-CG 4.32Å; F59-E61 HydrophobicContact CE1-CG 4.38Å; F59-E61 PolarHBondContact O-N 2.99Å; F59-Q64 WeakPolarHBondContact CE2-O 3.04Å; F59-Q64 HydrophobicContact CZ-CB 4.24Å; F59-E65 WeakPolarHBondContact CA-O 3.25Å; F59-E65 WeakPolarHBondContact CD2-O 3.27Å; F59-K66 HydrophobicContact CD2-CB 4.17Å
60N85.4Confident80.2Confident0 Ų048.7 Ų48.70%024%0.243CC..EExtended strand (participates in β ladder)trans-82114.1174.9-171.8-23.2000109.3I22 D23 D28 L30 T62 T63 Q64 E65I22-N60 HydrophobicContact CD1-CB 4.11Å; D23-N60 PolarHBondContact O-ND2 3.45Å; D28-N60 PolarHBondContact OD2-ND2 2.95Å; L30-N60 HydrophobicContact CD2-CB 3.42Å; L30-N60 VanDerWaalsContact CD2-CB 3.42Å; N60-T62 PolarHBondContact O-N 3.22Å; N60-T62 WeakPolarHBondContact OD1-CA 3.38Å; N60-T62 VanDerWaalsContact OD1-CB 3.3Å; N60-T62 WeakPolarHBondContact OD1-CB 3.16Å; N60-T62 PolarHBondContact OD1-N 2.86Å; N60-T62 PolarHBondContact OD1-OG1 3.01Å; N60-T63 VanDerWaalsContact CB-OG1 3.25Å; N60-T63 WeakPolarHBondContact CB-OG1 3.44Å; N60-T63 PolarHBondContact ND2-OG1 3.27Å; N60-T63 PolarHBondContact OD1-N 3.12Å; N60-Q64 WeakPolarHBondContact O-CA 3.35Å; N60-Q64 PolarHBondContact O-N 3.37Å; N60-E65 PolarHBondContact N-O 3.23Å
61E81.9Confident80.5Confident63 Ų6348.5 Ų48.529%0.29424%0.242SC..THydrogen-bonded Turntrans-66.8-28.3178.4-67.8-164.1112.900111.7I29 L31 F59 Q64 K80I29-E61 HydrophobicContact CB-CB 4.46Å; I29-E61 HydrophobicContact CG2-CB 4.39Å; I29-E61 HydrophobicContact CG2-CG 4.33Å; I29-E61 WeakPolarHBondContact CG2-OE2 3.42Å; I29-E61 PolarHBondContact O-N 3.06Å; L31-E61 HydrophobicContact CD1-CG 3.52Å; L31-E61 VanDerWaalsContact CD1-OE1 3.27Å; L31-E61 WeakPolarHBondContact CD1-OE1 3.44Å; L31-E61 HydrophobicContact CG-CG 3.85Å; F59-E61 HydrophobicContact CD1-CG 4.32Å; F59-E61 HydrophobicContact CE1-CG 4.38Å; F59-E61 PolarHBondContact O-N 2.99Å; E61-Q64 PolarHBondContact O-NE2 3.34Å; E61-K80 IonicContact OE1-NZ 3.69Å; E61-K80 PolarHBondContact OE1-NZ 3.03Å; E61-K80 IonicContact OE2-NZ 3.23Å; E61-K80 PolarHBondContact OE2-NZ 3.12Å
62T78.8Confident81Confident88 Ų8843.7 Ų43.754%0.5422%0.221SC..THydrogen-bonded Turntrans-76.8-46.3-178-37.10000111.6D28 I29 N60D28-T62 WeakPolarHBondContact OD1-CB 3.07Å; D28-T62 WeakPolarHBondContact OD1-CG2 3.45Å; D28-T62 PolarHBondContact OD1-OG1 3.39Å; I29-T62 PolarHBondContact N-OG1 2.96Å; N60-T62 PolarHBondContact O-N 3.22Å; N60-T62 WeakPolarHBondContact OD1-CA 3.38Å; N60-T62 VanDerWaalsContact OD1-CB 3.3Å; N60-T62 WeakPolarHBondContact OD1-CB 3.16Å; N60-T62 PolarHBondContact OD1-N 2.86Å; N60-T62 PolarHBondContact OD1-OG1 3.01Å
63T78.1Confident81.6Confident48 Ų4838.7 Ų38.729%0.29420%0.199SC..THydrogen-bonded Turntrans-94.3-11.6-177.365.50000113.5N60 E65N60-T63 VanDerWaalsContact CB-OG1 3.25Å; N60-T63 WeakPolarHBondContact CB-OG1 3.44Å; N60-T63 PolarHBondContact ND2-OG1 3.27Å; N60-T63 PolarHBondContact OD1-N 3.12Å; T63-E65 PolarHBondContact O-N 3.49Å
64Q79.1Confident82.2Confident133 Ų13338.3 Ų38.362%0.62120%0.197SC*.  trans61.223.4-174.6-59.8-73.2-62.400114F59 N60 E61F59-Q64 WeakPolarHBondContact CE2-O 3.04Å; F59-Q64 HydrophobicContact CZ-CB 4.24Å; N60-Q64 WeakPolarHBondContact O-CA 3.35Å; N60-Q64 PolarHBondContact O-N 3.37Å; E61-Q64 PolarHBondContact O-NE2 3.34Å
65E78.1Confident82.5Confident79 Ų7940.7 Ų40.737%0.36921%0.206SC..  trans-97.9148.1178.8-61.9-169.2155.700112.2I22 F59 N60 T63I22-E65 HydrophobicContact CG2-CB 3.88Å; F59-E65 WeakPolarHBondContact CA-O 3.25Å; F59-E65 WeakPolarHBondContact CD2-O 3.27Å; N60-E65 PolarHBondContact N-O 3.23Å; T63-E65 PolarHBondContact O-N 3.49Å
66K82.3Confident82.7Confident132 Ų13241.2 Ų41.257%0.57421%0.208SC*.EExtended strand (participates in β ladder)trans-118.8128.9177.3-171.1-174.9176.8-171.20109.8G58 F59G58-K66 WeakPolarHBondContact O-CA 3.16Å; F59-K66 HydrophobicContact CD2-CB 4.17Å
67G83.3Confident82.8Confident13 Ų1344.3 Ų44.313%0.13423%0.227CC..EExtended strand (participates in β ladder)trans173.4-165.1177.500000111.6E20 G58E20-G67 WeakPolarHBondContact O-CA 3.36Å; G58-G67 PolarHBondContact N-O 3.4Å; G58-G67 PolarHBondContact O-N 3.02Å; G58-G67 VanDerWaalsContact O-N 3.07Å; G58-G67 VanDerWaalsContact O-O 3.07Å
68D84.3Confident82.7Confident37 Ų3743.8 Ų43.820%0.19823%0.227CC..EExtended strand (participates in β ladder)trans-93.2142.5-177.6-62.4-27.6000110.6E20 D21 I22 W55 L56 P57E20-D68 PolarHBondContact O-N 3.05Å; D21-D68 WeakPolarHBondContact CA-O 3.37Å; I22-D68 PolarHBondContact N-O 2.96Å; I22-D68 VanDerWaalsContact N-O 3.16Å; W55-D68 HydrophobicContact CE3-CB 3.99Å; L56-D68 WeakPolarHBondContact O-CA 3.37Å; P57-D68 VanDerWaalsContact CA-OD1 3.3Å; P57-D68 WeakPolarHBondContact CA-OD1 3.5Å; P57-D68 VanDerWaalsContact CB-OD1 3.31Å; P57-D68 WeakPolarHBondContact CB-OD1 3.32Å
69F85.9Confident82.4Confident0 Ų049 Ų490%025%0.247CC..EExtended strand (participates in β ladder)trans-138.4151.6175.360.7-95.1000112.2Y8 I22 L24 L30 V32 W55 L56 G71 V74Y8-F69 HydrophobicContact CD2-CZ 4.47Å; I22-F69 HydrophobicContact CD1-CB 4.04Å; I22-F69 HydrophobicContact CD1-CD1 3.55Å; I22-F69 HydrophobicContact CD1-CE1 4.38Å; I22-F69 HydrophobicContact CD1-CG 4.17Å; I22-F69 HydrophobicContact CG1-CB 3.82Å; I22-F69 HydrophobicContact CG1-CD1 4.19Å; I22-F69 HydrophobicContact CG1-CG 4.48Å; L24-F69 HydrophobicContact CD1-CB 4.04Å; L24-F69 HydrophobicContact CD2-CB 4.13Å; L24-F69 HydrophobicContact CG-CB 4.31Å; L30-F69 HydrophobicContact CB-CE1 3.88Å; L30-F69 HydrophobicContact CB-CE2 4.32Å; L30-F69 HydrophobicContact CB-CZ 3.68Å; L30-F69 HydrophobicContact CD1-CB 4.48Å; L30-F69 HydrophobicContact CD1-CD1 3.84Å; L30-F69 HydrophobicContact CD1-CD2 3.44Å; L30-F69 VanDerWaalsContact CD1-CD2 3.44Å; L30-F69 HydrophobicContact CD1-CE1 3.76Å; L30-F69 HydrophobicContact CD1-CE2 3.4Å; L30-F69 HydrophobicContact CD1-CG 3.66Å; L30-F69 HydrophobicContact CD1-CZ 3.54Å; L30-F69 HydrophobicContact CG-CE1 4.29Å; L30-F69 HydrophobicContact CG-CE2 4.5Å; L30-F69 HydrophobicContact CG-CZ 4.23Å; V32-F69 HydrophobicContact CG2-CE1 4.06Å; V32-F69 HydrophobicContact CG2-CZ 3.58Å; W55-F69 VanDerWaalsContact CE3-C 3.43Å; L56-F69 HydrophobicContact CB-CD2 4.05Å; L56-F69 HydrophobicContact CB-CE1 4.21Å; L56-F69 HydrophobicContact CB-CE2 3.57Å; L56-F69 HydrophobicContact CB-CZ 3.69Å; L56-F69 HydrophobicContact CD1-CE2 3.77Å; L56-F69 HydrophobicContact CD1-CZ 4.29Å; L56-F69 HydrophobicContact CG-CE2 4.31Å; L56-F69 PolarHBondContact N-O 3.05Å; L56-F69 WeakPolarHBondContact O-CD1 3.32Å; L56-F69 WeakPolarHBondContact O-CE1 3.4Å; L56-F69 PolarHBondContact O-N 3.14Å; F69-G71 PolarHBondContact O-N 3.42Å; F69-V74 HydrophobicContact CD2-CG1 3.81Å; F69-V74 HydrophobicContact CD2-CG2 4.4Å; F69-V74 HydrophobicContact CE2-CG1 3.97Å; F69-V74 HydrophobicContact CE2-CG2 3.95Å
70P85.1Confident82Confident0 Ų049.3 Ų49.30%025%0.248CC..EExtended strand (participates in β ladder)trans-74.8123-178.225-27.8000111.4Y14 W55 T72 Y73 P96Y14-P70 HydrophobicContact CD1-CG 4.37Å; Y14-P70 HydrophobicContact CD2-CG 3.92Å; Y14-P70 HydrophobicContact CE2-CG 4.31Å; Y14-P70 HydrophobicContact CG-CG 3.98Å; W55-P70 HydrophobicContact CH2-CG 4.45Å; W55-P70 HydrophobicContact CZ3-CG 4.46Å; P70-T72 PolarHBondContact O-N 3.32Å; P70-Y73 HydrophobicContact CB-CD2 3.98Å; P70-Y73 HydrophobicContact CB-CG 4.44Å; P70-Y73 HydrophobicContact CG-CD1 4.49Å; P70-Y73 HydrophobicContact CG-CD2 3.77Å; P70-Y73 HydrophobicContact CG-CE2 4.45Å; P70-Y73 HydrophobicContact CG-CG 3.82Å; P70-Y73 WeakPolarHBondContact O-CB 3.25Å; P70-Y73 PolarHBondContact O-N 3.2Å; P70-P96 HydrophobicContact CB-CG 4.45Å
71G81.6Confident81.2Confident0 Ų058 Ų580%028%0.281CS..G310 helixtrans-63.9-19.917700000114.1P50 Q51 G54 F69 Y73P50-G71 CarbonylContact C-O 3.49Å; P50-G71 WeakPolarHBondContact CB-O 3.38Å; P50-G71 WeakPolarHBondContact O-CA 3.43Å; Q51-G71 PolarHBondContact N-O 3.32Å; G54-G71 WeakPolarHBondContact O-CA 3.47Å; G54-G71 PolarHBondContact O-N 3.36Å; F69-G71 PolarHBondContact O-N 3.42Å; G71-Y73 PolarHBondContact O-N 3.03Å
72T81.9Confident80.4Confident31 Ų3156.3 Ų56.319%0.1927%0.274CS..G310 helixtrans-70.6-17.5171.547.20000112.9Q51 P70Q51-T72 HydrophobicContact CB-CG2 4.25Å; P70-T72 PolarHBondContact O-N 3.32Å
73Y82.2Confident78.9Confident21 Ų2156.9 Ų56.98%0.08228%0.281CS..G310 helixtrans-97.50.8-176.9-79.2-125.5000113L11 Y12 E13 Y14 P70 G71 P96 V97 A98L11-Y73 PolarHBondContact N-O 3.23Å; Y12-Y73 VanDerWaalsContact CB-CD1 3.46Å; Y12-Y73 HydrophobicContact CG-CD1 4.45Å; Y12-Y73 PolarHBondContact N-O 2.69Å; E13-Y73 WeakPolarHBondContact O-CE1 3.37Å; Y14-Y73 HydrophobicContact CD2-CE1 4.37Å; P70-Y73 HydrophobicContact CB-CD2 3.98Å; P70-Y73 HydrophobicContact CB-CG 4.44Å; P70-Y73 HydrophobicContact CG-CD1 4.49Å; P70-Y73 HydrophobicContact CG-CD2 3.77Å; P70-Y73 HydrophobicContact CG-CE2 4.45Å; P70-Y73 HydrophobicContact CG-CG 3.82Å; P70-Y73 WeakPolarHBondContact O-CB 3.25Å; P70-Y73 PolarHBondContact O-N 3.2Å; G71-Y73 PolarHBondContact O-N 3.03Å; Y73-P96 HydrophobicContact CE2-CB 4.28Å; Y73-V97 PolarHBondContact OH-O 2.73Å; Y73-A98 HydrophobicContact CE2-CB 4.11Å
74V83.2Confident77.1Confident3 Ų359.1 Ų59.12%0.01830%0.297CS..EExtended strand (participates in β ladder)trans-134.7153.1-171.2-48.20000110.7Y8 R9 L24 L30 P50 L56 F69Y8-V74 HydrophobicContact CD1-CG2 3.98Å; Y8-V74 HydrophobicContact CG-CG2 4.13Å; R9-V74 CarbonylContact O-C 3.35Å; R9-V74 WeakPolarHBondContact O-CA 3.38Å; L24-V74 HydrophobicContact CD1-CG1 3.96Å; L30-V74 HydrophobicContact CD1-CG1 3.58Å; P50-V74 HydrophobicContact CB-CG2 3.77Å; P50-V74 HydrophobicContact CG-CG2 3.99Å; P50-V74 WeakPolarHBondContact CG-O 3.41Å; L56-V74 HydrophobicContact CD1-CG2 4.42Å; F69-V74 HydrophobicContact CD2-CG1 3.81Å; F69-V74 HydrophobicContact CD2-CG2 4.4Å; F69-V74 HydrophobicContact CE2-CG1 3.97Å; F69-V74 HydrophobicContact CE2-CG2 3.95Å
75E86.1Confident75.4Confident61 Ų6155.6 Ų55.629%0.28529%0.285SS..EExtended strand (participates in β ladder)trans-113.7150.3171.665.9-173.7152.400111.2Y8 R9 L11Y8-E75 CarbonylContact C-O 3.43Å; Y8-E75 WeakPolarHBondContact CA-O 3.25Å; Y8-E75 WeakPolarHBondContact CB-O 3.28Å; R9-E75 HydrophobicContact CB-CG 4.05Å; R9-E75 IonicContact CZ-OE1 2.99Å; R9-E75 PolarHBondContact N-O 2.99Å; R9-E75 IonicContact NE-OE1 2.98Å; R9-E75 PolarHBondContact NE-OE1 2.81Å; R9-E75 IonicContact NH2-OE1 3.35Å; R9-E75 PolarHBondContact NH2-OE1 3.15Å; R9-E75 IonicContact NH2-OE2 3.07Å; R9-E75 PolarHBondContact O-N 2.76Å; L11-E75 HydrophobicContact CD1-CB 3.95Å; L11-E75 HydrophobicContact CD1-CG 4.37Å; L11-E75 HydrophobicContact CD2-CG 4.16Å; L11-E75 VanDerWaalsContact CD2-OE1 3.27Å; L11-E75 WeakPolarHBondContact CD2-OE1 3.05Å; L11-E75 HydrophobicContact CG-CB 4.21Å; L11-E75 HydrophobicContact CG-CG 4.13Å
76Y85.3Confident73.9Confident54 Ų5458.1 Ų58.121%0.21231%0.306CS..EExtended strand (participates in β ladder)trans-74.8129.1176.2177.9-98.4000111Y6 Y8 E47 Q48 K79Y6-Y76 AromaticContact CD1-CE2 3.84Å; Y6-Y76 HydrophobicContact CD1-CE2 3.84Å; Y6-Y76 HydrophobicContact CG-CE2 4.29Å; Y8-Y76 HydrophobicContact CD1-CD2 4.3Å; Y8-Y76 AromaticContact CE1-CD2 3.76Å; Y8-Y76 HydrophobicContact CE1-CD2 3.76Å; Y8-Y76 HydrophobicContact CE1-CG 4.43Å; E47-Y76 HydrophobicContact CB-CE2 4.3Å; E47-Y76 HydrophobicContact CG-CE2 4.07Å; E47-Y76 WeakPolarHBondContact O-CD2 3.4Å; Q48-Y76 HydrophobicContact CB-CD1 4.36Å; Q48-Y76 HydrophobicContact CG-CD1 4.07Å; Q48-Y76 HydrophobicContact CG-CE1 3.99Å; Y76-K79 VanDerWaalsContact OH-CG 3.31Å; Y76-K79 WeakPolarHBondContact OH-CG 3.14Å
77V83.7Confident72.3Confident64 Ų6454.7 Ų54.739%0.38830%0.298SS..EExtended strand (participates in β ladder)trans-105.7-39.4-179-177.50000111.7Q7 R9Q7-V77 HydrophobicContact CB-CB 4.41Å; Q7-V77 HydrophobicContact CG-CB 4.32Å; Q7-V77 PolarHBondContact O-N 3.48Å; R9-V77 HydrophobicContact CB-CG2 3.49Å; R9-V77 VanDerWaalsContact CB-CG2 3.49Å
78G81.1Confident70Confident18 Ų1863.1 Ų63.119%0.18633%0.331CS..EExtended strand (participates in β ladder)trans163.2-171.6-179.100000115.4Q7Q7-G78 PolarHBondContact N-O 3.31Å; Q7-G78 PolarHBondContact O-N 3.12Å
79K79.4Confident67.8Low117 Ų11765 Ų6551%0.50935%0.345SS..EExtended strand (participates in β ladder)trans-95.9136.3177.9-60.3-173.1172.8-158.70111.1E4 G5 Y6 Y76E4-K79 WeakPolarHBondContact OE1-CD 3.28Å; E4-K79 IonicContact OE1-NZ 2.85Å; E4-K79 PolarHBondContact OE1-NZ 2.9Å; G5-K79 CarbonylContact O-C 3.49Å; G5-K79 WeakPolarHBondContact O-CA 3.28Å; Y6-K79 HydrophobicContact CD1-CG 4.09Å; Y6-K79 HydrophobicContact CE1-CD 4.41Å; Y6-K79 HydrophobicContact CE1-CG 4.08Å; Y76-K79 VanDerWaalsContact OH-CG 3.31Å; Y76-K79 WeakPolarHBondContact OH-CG 3.14Å
80K75.9Confident65.8Low74 Ų7472.5 Ų72.532%0.32237%0.373SS..EExtended strand (participates in β ladder)trans-137.9142176.7-160.3-177-170.4-178.90109.8G5 L31 E61G5-K80 CarbonylContact C-O 3.58Å; G5-K80 VanDerWaalsContact CA-O 3.28Å; G5-K80 WeakPolarHBondContact CA-O 3.32Å; G5-K80 PolarHBondContact N-O 3.39Å; G5-K80 PolarHBondContact O-N 2.79Å; L31-K80 HydrophobicContact CD1-CD 4.45Å; L31-K80 HydrophobicContact CD2-CB 4.15Å; L31-K80 HydrophobicContact CD2-CD 3.7Å; L31-K80 HydrophobicContact CD2-CG 4.5Å; E61-K80 IonicContact OE1-NZ 3.69Å; E61-K80 PolarHBondContact OE1-NZ 3.03Å; E61-K80 IonicContact OE2-NZ 3.23Å; E61-K80 PolarHBondContact OE2-NZ 3.12Å
81W68.8Low63.4Low182 Ų18277.7 Ų77.769%0.68941%0.407SS*.EExtended strand (participates in β ladder)trans-79.4126.2174.4-74.892.6000110S2S2-W81 VanDerWaalsContact O-CZ3 3.27Å; S2-W81 WeakPolarHBondContact O-CZ3 3.17Å
82I65.6Low61.3Low28 Ų2886 Ų8614%0.14445%0.45CS..EExtended strand (participates in β ladder)trans-120144.6-174.9-42.9172.2000110V3 L31V3-I82 PolarHBondContact N-O 3.18Å; V3-I82 PolarHBondContact O-N 2.8Å; L31-I82 HydrophobicContact CB-CD1 3.92Å; L31-I82 HydrophobicContact CD2-CD1 3.99Å; L31-I82 HydrophobicContact CD2-CG1 4.31Å; L31-I82 HydrophobicContact CG-CD1 4.37Å
83S46.2Very low59.6Low99 Ų9987.7 Ų87.769%0.69245%0.453SS*.  trans-67.8140.3166.9-55.60000110.1P85S83-P85 WeakPolarHBondContact O-CD 3.3Å
84P40.7Very low57.7Low95 Ų9592.4 Ų92.462%0.61749%0.486SS*.  trans-70.1130.7-163.626.9-33.4000113.4V3V3-P84 HydrophobicContact CG2-CB 4.18Å
85P42.3Very low55.7Low59 Ų5996.1 Ų96.138%0.38351%0.505SS..  trans-118.6141.6152.220.81000111S83S83-P85 WeakPolarHBondContact O-CD 3.3Å
86T47.1Very low53.5Low132 Ų13294.7 Ų94.781%0.8150%0.501SS*.  trans-70.3142.3168.225.80000111
87P48.9Very low51.5Low60 Ų6098.5 Ų98.539%0.3953%0.53SS..  trans-141.5159.6135.331.7-13.8000115.3A36A36-P87 HydrophobicContact CB-CG 3.83Å
88K35.5Very low49.2Very low191 Ų19196.8 Ų96.883%0.8352%0.523SS*.  trans-89.7142.3165.7-71.5177.9175.4179.90109.4
89P36.8Very low47Very low76 Ų76100.9 Ų100.949%0.49455%0.546SS..  trans-77.3149.5175.831.3-31.3000111.9A39 L40A39-P89 HydrophobicContact CB-CB 4.23Å; A39-P89 HydrophobicContact CB-CG 4.2Å; A39-P89 WeakPolarHBondContact O-CB 3.32Å; A39-P89 VanDerWaalsContact O-CG 3.32Å; A39-P89 WeakPolarHBondContact O-CG 3.38Å; L40-P89 HydrophobicContact CD2-CB 4.44Å
90R43.9Very low45Very low158 Ų15898.5 Ų98.560%0.59655%0.554SS**  trans-136.8156.8179.5-85.8-170.6-72.2-171.68.8110.7E20E20-R90 IonicContact OE1-CZ 3.48Å; E20-R90 IonicContact OE1-NH1 3.11Å; E20-R90 PolarHBondContact OE1-NH1 2.79Å; E20-R90 IonicContact OE1-NH2 3.22Å; E20-R90 PolarHBondContact OE1-NH2 2.92Å
91P35.8Very low42.8Very low108 Ų108100.4 Ų100.470%0.70158%0.577SS**  trans-67.4154.8-160.625-33.9000114.6
92L37.8Very low40.9Very low174 Ų174101.8 Ų101.891%0.91159%0.588SS**  trans-57.9131.9-177.1-68163000111.9
93R45.8Very low39.2Very low68 Ų68110 Ų11026%0.25762%0.623SS.*  trans-117.7155.9-180-56.9179.5-167.7178.91110.4E20E20-R93 IonicContact OE2-CZ 3.11Å; E20-R93 IonicContact OE2-NH1 3.02Å; E20-R93 PolarHBondContact OE2-NH1 2.81Å; E20-R93 IonicContact OE2-NH2 3.74Å; E20-R93 PolarHBondContact OE2-NH2 3.47Å
94P42.4Very low38.4Very low120 Ų120109.9 Ų109.978%0.77963%0.628SS**PPolyproline II helixtrans-62.7149.5173.2-18.131.2000112.5W55W55-P94 PolarHBondContact NE1-O 2.99Å
95L41.3Very low37.9Very low80 Ų80113.9 Ų113.942%0.41964%0.638SS.*PPolyproline II helixtrans-97.3145.3-176.1-68.2166.1000112W55W55-L95 HydrophobicContact CG-CD2 4.43Å
96P39Very low37.2Very low31 Ų31118.1 Ų118.120%0.20166%0.658CS.*PPolyproline II helixtrans-71.6135.2163.7-5.120.6000110.5Y14 W55 P70 Y73Y14-P96 HydrophobicContact CE2-CG 3.99Å; W55-P96 HydrophobicContact CH2-CG 4.49Å; W55-P96 HydrophobicContact CZ2-CG 3.97Å; P70-P96 HydrophobicContact CB-CG 4.45Å; Y73-P96 HydrophobicContact CE2-CB 4.28Å
97V42.6Very low36.3Very low134 Ų134117 Ų11781%0.81266%0.656SS**PPolyproline II helixtrans-80.1122.1177.1179.10000109.3Y73Y73-V97 PolarHBondContact OH-O 2.73Å
98A37.1Very low35.5Very low29 Ų29122.5 Ų122.524%0.2468%0.681CS.*PPolyproline II helixtrans-65.8138.6175.400000110.8Y12 Y73 G100Y12-A98 HydrophobicContact CE2-CB 4.47Å; Y73-A98 HydrophobicContact CE2-CB 4.11Å; A98-G100 PolarHBondContact O-N 3.44Å
99P33.8Very low35.2Very low104 Ų104118 Ų11868%0.67567%0.674SS**SBendtrans-71.1103.8179-11.325.9000110.9
100G36.9Very low35.1Very low66 Ų66122 Ų12268%0.6869%0.691SS**  trans10582.8159.500000116.5A98A98-G100 PolarHBondContact O-N 3.44Å
101S29.5Very low34.6Very low115 Ų115121.8 Ų121.880%0.80470%0.697SS**  trans-143.271151.567.20000110.9K103S101-K103 PolarHBondContact O-N 3.11Å
102F30.7Very low34.7Very low210 Ų210119.4 Ų119.492%0.92169%0.692SS**  trans-79.699.4153.5-79.1-81.8000108.1
103K28.3Very low35.2Very low202 Ų202114.6 Ų114.688%0.87867%0.67SS**  trans-144118.2152.3-78.9-162.2176.1179.90109.6S101S101-K103 PolarHBondContact O-N 3.11Å
104A30.9Very low35.7Very low95 Ų95116 Ų11679%0.78569%0.689SS**  trans-66.9130.6162.900000109.5
105E29Very low37.4Very low180 Ų180110.6 Ų110.684%0.84165%0.653SS**  168.8136.1112.2-90.8-175.8171.700110.8
106D28.3Very low39.1Very low148 Ų148108.6 Ų108.679%0.79165%0.649SS**  trans34.9114151.6-75.3-15.1000120.3
107S27.6Very low41.2Very low109 Ų109108.6 Ų108.676%0.76265%0.647SS**  -178.1106.6118.8-75.40000110.7S109S107-S109 PolarHBondContact O-N 2.89Å
108D32.3Very low43.1Very low174 Ų174102.2 Ų102.293%0.9361%0.608SS**  trans6.894.5147.6-138.33.5000116.2
109S28.8Very low45.3Very low97 Ų97102.8 Ų102.868%0.67861%0.609SS**  trans-155.8121.815337.80000110.2S107 Q111S107-S109 PolarHBondContact O-N 2.89Å; S109-Q111 VanDerWaalsContact C-N 3.29Å; S109-Q111 PolarHBondContact O-N 2.83Å
110D34.9Very low47.6Very low160 Ų160104.2 Ų104.286%0.85661%0.606SS**  trans-6269.3-172.1-158.817.7000113.5
111Q33.9Very low49.6Very low154 Ų154103 Ų10372%0.7258%0.583SS**  trans-91.3104.9166.4-76.6-174.5-600109.1S109 V113S109-Q111 VanDerWaalsContact C-N 3.29Å; S109-Q111 PolarHBondContact O-N 2.83Å; Q111-V113 PolarHBondContact O-N 2.84Å
112G38.7Very low52.2Low57 Ų5797.6 Ų97.659%0.58855%0.545SS*.  trans-55.1111.2177.900000111.8C114G112-C114 PolarHBondContact O-N 3.32Å
113V48.3Very low54.4Low74 Ų7494.2 Ų94.245%0.44853%0.53SS..  trans-59.2101.8161.2-179.60000106.6Q111 L115 Y165Q111-V113 PolarHBondContact O-N 2.84Å; V113-L115 PolarHBondContact O-N 3.33Å; V113-Y165 HydrophobicContact CG1-CD2 4.26Å
114C56.3Low56.2Low97 Ų9790.2 Ų90.266%0.65552%0.518SS*.PPolyproline II helixtrans-77118.9175.3-163.30000107.1G112G112-C114 PolarHBondContact O-N 3.32Å
115L76.3Confident58Low7 Ų791.7 Ų91.74%0.03752%0.519CS..PPolyproline II helixtrans-61.1140.3174.6179.964.3000108.9V113 Y165 Y189 D192 L193 P194V113-L115 PolarHBondContact O-N 3.33Å; L115-Y165 HydrophobicContact CB-CD2 4.03Å; L115-Y165 HydrophobicContact CB-CE2 4.04Å; L115-Y165 HydrophobicContact CD1-CD1 3.95Å; L115-Y165 HydrophobicContact CD1-CD2 3.72Å; L115-Y165 HydrophobicContact CD1-CE1 4.44Å; L115-Y165 HydrophobicContact CD1-CE2 4.25Å; L115-Y165 HydrophobicContact CD1-CG 3.55Å; L115-Y165 HydrophobicContact CG-CD2 4.39Å; L115-Y189 HydrophobicContact CD1-CE2 4.16Å; L115-Y189 HydrophobicContact CD2-CD2 3.58Å; L115-Y189 HydrophobicContact CD2-CE2 3.4Å; L115-Y189 HydrophobicContact CD2-CG 4.26Å; L115-Y189 HydrophobicContact CG-CE2 4.41Å; L115-D192 HydrophobicContact CB-CB 4.28Å; L115-D192 WeakPolarHBondContact CB-O 3.46Å; L115-D192 PolarHBondContact N-O 3.13Å; L115-L193 HydrophobicContact CD2-CD2 3.47Å; L115-L193 VanDerWaalsContact CD2-CD2 3.47Å; L115-L193 HydrophobicContact CD2-CG 3.84Å; L115-L193 HydrophobicContact CG-CD2 4.17Å; L115-P194 WeakPolarHBondContact O-CD 3.49Å
116A78.3Confident60.2Low38 Ų3887.7 Ų87.731%0.31450%0.5SS..PPolyproline II helixtrans-58.1159.8176.800000111.8E120 Q121A116-E120 HydrophobicContact CB-CB 4.27Å; A116-Q121 HydrophobicContact CB-CG 4.3Å; A116-Q121 PolarHBondContact O-NE2 2.93Å
117D83.6Confident62.5Low30 Ų3084.9 Ų84.916%0.1649%0.489CS..PPolyproline II helixtrans-64.3150.2177.3-170.288.1000111.3T119 E120 Q121 P194 Y240D117-T119 PolarHBondContact O-N 3.36Å; D117-T119 VanDerWaalsContact O-N 3.07Å; D117-T119 WeakPolarHBondContact OD2-CB 3.43Å; D117-T119 WeakPolarHBondContact OD2-CG2 3.43Å; D117-T119 PolarHBondContact OD2-N 3.17Å; D117-T119 PolarHBondContact OD2-OG1 2.87Å; D117-E120 PolarHBondContact O-N 2.95Å; D117-Q121 WeakPolarHBondContact O-CG 3.48Å; D117-Q121 PolarHBondContact O-N 2.67Å; D117-Q121 VanDerWaalsContact O-N 3.12Å; D117-P194 HydrophobicContact CB-CG 3.93Å; D117-Y240 PolarHBondContact OD1-OH 3.35Å; D117-Y240 PolarHBondContact OD2-OH 3.24Å
118L81.8Confident65.3Low0 Ų079.9 Ų79.90%045%0.454CS..Hα-helixtrans-56.5-27.6177.6-73.1176000112.4E120 Q121 F122 P129 L193 Q239 Y240 T243L118-E120 VanDerWaalsContact C-N 3.25Å; L118-E120 PolarHBondContact O-N 3.03Å; L118-Q121 PolarHBondContact O-N 2.8Å; L118-F122 WeakPolarHBondContact O-CD1 3.39Å; L118-P129 HydrophobicContact CD2-CG 3.81Å; L118-L193 HydrophobicContact CD1-CD1 4.4Å; L118-L193 HydrophobicContact CD2-CD1 4.33Å; L118-L193 HydrophobicContact CD2-CD2 3.72Å; L118-L193 HydrophobicContact CG-CD1 4.42Å; L118-L193 HydrophobicContact CG-CD2 3.86Å; L118-Q239 HydrophobicContact CB-CB 4.18Å; L118-Y240 HydrophobicContact CB-CD2 4.43Å; L118-Y240 HydrophobicContact CB-CE2 4.17Å; L118-Y240 HydrophobicContact CD1-CD1 3.79Å; L118-Y240 HydrophobicContact CD1-CE1 3.93Å; L118-Y240 HydrophobicContact CD1-CG 4.1Å; L118-T243 HydrophobicContact CD1-CG2 4.2Å; L118-T243 HydrophobicContact CD2-CG2 4.15Å
119T83.4Confident67.9Low42 Ų4271.7 Ų71.726%0.25841%0.41SS..Hα-helixtrans-67.7-22174.554.70000114.2D117 P237 Y240D117-T119 PolarHBondContact O-N 3.36Å; D117-T119 VanDerWaalsContact O-N 3.07Å; D117-T119 WeakPolarHBondContact OD2-CB 3.43Å; D117-T119 WeakPolarHBondContact OD2-CG2 3.43Å; D117-T119 PolarHBondContact OD2-N 3.17Å; D117-T119 PolarHBondContact OD2-OG1 2.87Å; T119-P237 HydrophobicContact CG2-CB 3.35Å; T119-P237 HydrophobicContact CG2-CG 3.54Å; T119-Y240 HydrophobicContact CG2-CE2 4.32Å
120E81.2Confident70.5Confident133 Ų13369 Ų6962%0.62139%0.391SS*.Hα-helixtrans-99.4-19.7178.9-61.7-179.5168.500112A116 D117 L118A116-E120 HydrophobicContact CB-CB 4.27Å; D117-E120 PolarHBondContact O-N 2.95Å; L118-E120 VanDerWaalsContact C-N 3.25Å; L118-E120 PolarHBondContact O-N 3.03Å
121Q80.3Confident72.9Confident40 Ų4062 Ų6219%0.18735%0.354CS..Hα-helixtrans-79.3-25.8-178.1-71.1-176.547.800114.5A116 D117 L118 P129 Y189 L193A116-Q121 HydrophobicContact CB-CG 4.3Å; A116-Q121 PolarHBondContact O-NE2 2.93Å; D117-Q121 WeakPolarHBondContact O-CG 3.48Å; D117-Q121 PolarHBondContact O-N 2.67Å; D117-Q121 VanDerWaalsContact O-N 3.12Å; L118-Q121 PolarHBondContact O-N 2.8Å; Q121-P129 HydrophobicContact CB-CB 4.44Å; Q121-P129 HydrophobicContact CB-CG 4.41Å; Q121-Y189 PolarHBondContact OE1-OH 3.17Å; Q121-L193 VanDerWaalsContact NE2-CD2 3.28Å
122F82.4Confident75.5Confident3 Ų354.7 Ų54.71%0.01332%0.319CS..  trans-159.7153.5177.271.4-73.7000113L118 E126 P129 Q239 L242 T243L118-F122 WeakPolarHBondContact O-CD1 3.39Å; F122-E126 HydrophobicContact CB-CB 4.37Å; F122-E126 HydrophobicContact CD2-CB 4.11Å; F122-E126 WeakPolarHBondContact CD2-O 3.21Å; F122-E126 WeakPolarHBondContact CE2-O 3.48Å; F122-P129 HydrophobicContact CD1-CB 4.39Å; F122-P129 HydrophobicContact CD1-CG 3.62Å; F122-P129 VanDerWaalsContact CE1-CD 3.47Å; F122-P129 HydrophobicContact CE1-CG 3.71Å; F122-Q239 HydrophobicContact CD1-CB 4.45Å; F122-Q239 HydrophobicContact CD1-CG 4.3Å; F122-Q239 HydrophobicContact CD2-CG 4.46Å; F122-Q239 HydrophobicContact CE1-CB 3.63Å; F122-Q239 HydrophobicContact CE1-CG 3.9Å; F122-Q239 HydrophobicContact CE2-CB 4.31Å; F122-Q239 HydrophobicContact CE2-CG 4.07Å; F122-Q239 VanDerWaalsContact CZ-CA 3.48Å; F122-Q239 HydrophobicContact CZ-CB 3.56Å; F122-Q239 HydrophobicContact CZ-CG 3.8Å; F122-Q239 WeakPolarHBondContact CZ-O 3.44Å; F122-L242 HydrophobicContact CE2-CB 4.32Å; F122-L242 HydrophobicContact CE2-CD1 4.29Å; F122-L242 HydrophobicContact CZ-CB 4.25Å; F122-T243 WeakPolarHBondContact CE1-OG1 3.45Å
123F76.9Confident77.9Confident139 Ų13954 Ų5461%0.6130%0.304SS*.  trans-123.3152.4179.2-60.2-85.2000111E126F123-E126 WeakPolarHBondContact O-CB 3.49Å; F123-E126 PolarHBondContact O-N 2.83Å
124L67.1Low79.7Confident117 Ų11754 Ų5461%0.61330%0.296SS*.THydrogen-bonded Turntrans-60.8128.9173.3-69.8168.5000109.3P238 L242L124-P238 HydrophobicContact CD1-CG 4.37Å; L124-L242 HydrophobicContact CD2-CD1 3.74Å
125P68.9Low81.1Confident126 Ų12649.4 Ų49.482%0.81826%0.264SS*.THydrogen-bonded Turncis-95.24.730.237-37.5000116.8
126E74.3Confident81.8Confident96 Ų9649.3 Ų49.345%0.44926%0.264SS..  trans-68.8141.3-179.3-61.7177.217600111.2F122 F123F122-E126 HydrophobicContact CB-CB 4.37Å; F122-E126 HydrophobicContact CD2-CB 4.11Å; F122-E126 WeakPolarHBondContact CD2-O 3.21Å; F122-E126 WeakPolarHBondContact CE2-O 3.48Å; F123-E126 WeakPolarHBondContact O-CB 3.49Å; F123-E126 PolarHBondContact O-N 2.83Å
127T77.7Confident82.3Confident89 Ų8952 Ų5255%0.54627%0.27SS..SBendtrans-100.2-6.7-173.357.50000114.1L242T127-L242 CarbonylContact O-C 3.54Å; T127-L242 WeakPolarHBondContact O-CB 3.22Å
128A85.7Confident82.4Confident5 Ų550.6 Ų50.64%0.04126%0.263CS..SBendtrans-168.3162176.700000109.7C246A128-C246 HydrophobicContact CB-CB 3.8Å
129P87.3Confident82.8Confident1 Ų150.6 Ų50.61%0.00626%0.263CS..  trans-55.6133.6172.2-24.935000111.8L118 Q121 F122 L131 L132 T133 Y189L118-P129 HydrophobicContact CD2-CG 3.81Å; Q121-P129 HydrophobicContact CB-CB 4.44Å; Q121-P129 HydrophobicContact CB-CG 4.41Å; F122-P129 HydrophobicContact CD1-CB 4.39Å; F122-P129 HydrophobicContact CD1-CG 3.62Å; F122-P129 VanDerWaalsContact CE1-CD 3.47Å; F122-P129 HydrophobicContact CE1-CG 3.71Å; P129-L131 PolarHBondContact O-N 3Å; P129-L132 HydrophobicContact CB-CB 4.04Å; P129-L132 HydrophobicContact CG-CB 4.46Å; P129-L132 PolarHBondContact O-N 2.91Å; P129-T133 PolarHBondContact O-N 2.91Å; P129-T133 PolarHBondContact O-OG1 2.98Å; P129-Y189 VanDerWaalsContact CB-OH 3.29Å; P129-Y189 WeakPolarHBondContact CB-OH 3.49Å; P129-Y189 VanDerWaalsContact CG-OH 3.24Å; P129-Y189 WeakPolarHBondContact CG-OH 3.46Å
130P83.9Confident83Confident42 Ų4250.3 Ų50.327%0.27326%0.258SS..Hα-helixtrans-56.8-43.9-178.4-2835000113.6L132 T133 R134P130-L132 PolarHBondContact O-N 3.27Å; P130-T133 PolarHBondContact O-N 3.41Å; P130-R134 WeakPolarHBondContact O-CG 3.3Å; P130-R134 PolarHBondContact O-N 2.83Å
131L85.5Confident83.2Confident13 Ų1350.7 Ų50.77%0.06825%0.254CS..Hα-helixtrans-58.7-47.5176.7178.267.6000111.5P129 T133 R134 L135 I161 Y164 Y165 P169 Y189P129-L131 PolarHBondContact O-N 3Å; L131-T133 VanDerWaalsContact C-N 3.33Å; L131-T133 PolarHBondContact O-N 3.32Å; L131-R134 PolarHBondContact O-N 2.93Å; L131-L135 HydrophobicContact CD1-CD1 4.36Å; L131-L135 HydrophobicContact CG-CD1 4.04Å; L131-L135 WeakPolarHBondContact O-CB 3.47Å; L131-L135 WeakPolarHBondContact O-CG 3.29Å; L131-L135 PolarHBondContact O-N 2.89Å; L131-I161 HydrophobicContact CD2-CG2 4.39Å; L131-Y164 WeakPolarHBondContact CD2-O 3.44Å; L131-Y165 HydrophobicContact CD2-CD1 3.81Å; L131-Y165 HydrophobicContact CD2-CE1 4.3Å; L131-P169 HydrophobicContact CD1-CG 3.6Å; L131-Y189 HydrophobicContact CD2-CD2 4.01Å; L131-Y189 HydrophobicContact CD2-CE2 4.07Å
132L88.5Confident83.4Confident0 Ų052.4 Ų52.40%026%0.261CS..Hα-helixtrans-61.4-44178.5-179.663.8000111P129 P130 R134 L135 L136 L186 Y189 T243 L247P129-L132 HydrophobicContact CB-CB 4.04Å; P129-L132 HydrophobicContact CG-CB 4.46Å; P129-L132 PolarHBondContact O-N 2.91Å; P130-L132 PolarHBondContact O-N 3.27Å; L132-R134 PolarHBondContact O-N 3.46Å; L132-L135 PolarHBondContact O-N 3.03Å; L132-L136 HydrophobicContact CD1-CD1 4.2Å; L132-L136 HydrophobicContact CD1-CG 4.18Å; L132-L136 HydrophobicContact CG-CD1 4.01Å; L132-L136 HydrophobicContact CG-CG 4.37Å; L132-L136 VanDerWaalsContact O-CG 3.23Å; L132-L136 WeakPolarHBondContact O-CG 3.36Å; L132-L136 PolarHBondContact O-N 3.44Å; L132-L186 HydrophobicContact CD1-CD1 3.42Å; L132-L186 VanDerWaalsContact CD1-CD1 3.42Å; L132-Y189 HydrophobicContact CB-CE1 3.95Å; L132-Y189 HydrophobicContact CD1-CD1 3.87Å; L132-Y189 HydrophobicContact CD1-CE1 3.84Å; L132-Y189 HydrophobicContact CD2-CE1 4.09Å; L132-Y189 HydrophobicContact CG-CE1 4.17Å; L132-T243 HydrophobicContact CD2-CG2 3.53Å; L132-L247 HydrophobicContact CD1-CD2 4.25Å; L132-L247 HydrophobicContact CD2-CD2 4.49Å; L132-L247 HydrophobicContact CD2-CG 4.41Å
133T87.8Confident83.3Confident42 Ų4252.3 Ų52.326%0.25826%0.26SS..Hα-helixtrans-60.4-46.2179.6-54.40000111.1P129 P130 L131 L136 E137P129-T133 PolarHBondContact O-N 2.91Å; P129-T133 PolarHBondContact O-OG1 2.98Å; P130-T133 PolarHBondContact O-N 3.41Å; L131-T133 VanDerWaalsContact C-N 3.33Å; L131-T133 PolarHBondContact O-N 3.32Å; T133-L136 PolarHBondContact O-N 3.23Å; T133-E137 WeakPolarHBondContact O-CG 3.5Å; T133-E137 PolarHBondContact O-N 2.94Å
134R86.3Confident83.4Confident74 Ų7446.8 Ų46.828%0.27924%0.238SC..Hα-helixtrans-66-39.7178.2-66.9-179.4-165.1-158.74.4112.6P130 L131 L132 E137 A138 D168 P169 L174P130-R134 WeakPolarHBondContact O-CG 3.3Å; P130-R134 PolarHBondContact O-N 2.83Å; L131-R134 PolarHBondContact O-N 2.93Å; L132-R134 PolarHBondContact O-N 3.46Å; R134-E137 PolarHBondContact O-N 3.39Å; R134-A138 WeakPolarHBondContact O-CB 3.31Å; R134-A138 PolarHBondContact O-N 3.48Å; R134-D168 IonicContact CZ-OD1 2.69Å; R134-D168 IonicContact CZ-OD2 2.71Å; R134-D168 VanDerWaalsContact CZ-OD2 3.31Å; R134-D168 IonicContact NE-OD1 3.91Å; R134-D168 PolarHBondContact NE-OD1 3.28Å; R134-D168 IonicContact NE-OD2 3.06Å; R134-D168 IonicContact NH1-OD1 3.74Å; R134-D168 PolarHBondContact NH1-OD1 2.67Å; R134-D168 IonicContact NH1-OD2 3.29Å; R134-D168 IonicContact NH2-OD1 3.52Å; R134-D168 PolarHBondContact NH2-OD1 2.87Å; R134-D168 VanDerWaalsContact NH2-OD1 3.07Å; R134-D168 IonicContact NH2-OD2 2.7Å; R134-D168 PolarHBondContact NH2-OD2 3.44Å; R134-P169 WeakPolarHBondContact CD-O 3.33Å; R134-P169 VanDerWaalsContact NH1-C 3.33Å; R134-P169 PolarHBondContact NH1-O 3.34Å; R134-L174 HydrophobicContact CB-CD2 3.9Å
135L86.9Confident84Confident0 Ų045.8 Ų45.80%023%0.234CC..Hα-helixtrans-59.7-48.1174.3-76.8168.7000111.2L131 L132 E137 A138 I139 I161 L174 L182L131-L135 HydrophobicContact CD1-CD1 4.36Å; L131-L135 HydrophobicContact CG-CD1 4.04Å; L131-L135 WeakPolarHBondContact O-CB 3.47Å; L131-L135 WeakPolarHBondContact O-CG 3.29Å; L131-L135 PolarHBondContact O-N 2.89Å; L132-L135 PolarHBondContact O-N 3.03Å; L135-E137 PolarHBondContact O-N 2.99Å; L135-A138 PolarHBondContact O-N 2.72Å; L135-I139 WeakPolarHBondContact O-CD1 3.4Å; L135-I139 VanDerWaalsContact O-CG1 3.23Å; L135-I139 WeakPolarHBondContact O-CG1 3.49Å; L135-I139 PolarHBondContact O-N 3.02Å; L135-I161 HydrophobicContact CD1-CG2 3.88Å; L135-I161 HydrophobicContact CD2-CD1 3.93Å; L135-I161 HydrophobicContact CD2-CG1 4.31Å; L135-I161 HydrophobicContact CD2-CG2 4.4Å; L135-L174 HydrophobicContact CD2-CD2 3.73Å; L135-L174 HydrophobicContact CD2-CG 4.32Å; L135-L174 HydrophobicContact CG-CD2 3.91Å; L135-L182 HydrophobicContact CD2-CD2 4.06Å
136L90Very high84.6Confident5 Ų542.3 Ų42.33%0.02621%0.208CC..Hα-helixtrans-63.8-41.1178.8-64.7175.8000111.7L132 T133 I139 E140 L186 L247 H250L132-L136 HydrophobicContact CD1-CD1 4.2Å; L132-L136 HydrophobicContact CD1-CG 4.18Å; L132-L136 HydrophobicContact CG-CD1 4.01Å; L132-L136 HydrophobicContact CG-CG 4.37Å; L132-L136 VanDerWaalsContact O-CG 3.23Å; L132-L136 WeakPolarHBondContact O-CG 3.36Å; L132-L136 PolarHBondContact O-N 3.44Å; T133-L136 PolarHBondContact O-N 3.23Å; L136-I139 PolarHBondContact O-N 2.61Å; L136-E140 WeakPolarHBondContact O-CB 3.3Å; L136-E140 WeakPolarHBondContact O-CG 3.4Å; L136-E140 PolarHBondContact O-N 3.07Å; L136-L186 HydrophobicContact CD2-CD1 3.74Å; L136-L186 HydrophobicContact CD2-CD2 3.72Å; L136-L186 HydrophobicContact CD2-CG 4.38Å; L136-L247 HydrophobicContact CD1-CD2 4.06Å; L136-L247 HydrophobicContact CD2-CD2 4.08Å; L136-H250 HydrophobicContact CD1-CB 4.18Å; L136-H250 HydrophobicContact CD2-CB 4.19Å
137E88.7Confident84.8Confident94 Ų9440.5 Ų40.544%0.43921%0.205SC..Hα-helixtrans-64-40.6175.8-74.8179.217900112.9T133 R134 L135 E140 R141T133-E137 WeakPolarHBondContact O-CG 3.5Å; T133-E137 PolarHBondContact O-N 2.94Å; R134-E137 PolarHBondContact O-N 3.39Å; L135-E137 PolarHBondContact O-N 2.99Å; E137-E140 PolarHBondContact O-N 3.46Å; E137-R141 WeakPolarHBondContact O-CB 3.39Å; E137-R141 PolarHBondContact O-N 3.39Å
138A86.6Confident84.8Confident1 Ų140.2 Ų40.21%0.00820%0.203CC..Hα-helixtrans-65.9-40.8176.100000111.8R134 L135 R141 K142 L182R134-A138 WeakPolarHBondContact O-CB 3.31Å; R134-A138 PolarHBondContact O-N 3.48Å; L135-A138 PolarHBondContact O-N 2.72Å; A138-R141 PolarHBondContact O-N 2.82Å; A138-K142 PolarHBondContact O-N 2.94Å; A138-K142 VanDerWaalsContact O-N 3.08Å; A138-L182 HydrophobicContact CB-CD1 3.95Å; A138-L182 HydrophobicContact CB-CD2 4.28Å
139I88.8Confident84.7Confident0 Ų040 Ų400%020%0.201CC..Hα-helixtrans-65.5-40.7174.2-64.4164.5000110.7L135 L136 R141 G143 L149 Y150 L179 L182 L186L135-I139 WeakPolarHBondContact O-CD1 3.4Å; L135-I139 VanDerWaalsContact O-CG1 3.23Å; L135-I139 WeakPolarHBondContact O-CG1 3.49Å; L135-I139 PolarHBondContact O-N 3.02Å; L136-I139 PolarHBondContact O-N 2.61Å; I139-R141 VanDerWaalsContact C-N 3.35Å; I139-R141 PolarHBondContact O-N 3.16Å; I139-G143 VanDerWaalsContact O-CA 3.25Å; I139-G143 WeakPolarHBondContact O-CA 3.45Å; I139-G143 PolarHBondContact O-N 3.42Å; I139-L149 HydrophobicContact CG2-CD1 3.74Å; I139-Y150 HydrophobicContact CD1-CE1 4.4Å; I139-Y150 HydrophobicContact CG2-CE2 4.48Å; I139-Y150 WeakPolarHBondContact CG2-OH 3.22Å; I139-L179 HydrophobicContact CG2-CD1 4.38Å; I139-L182 HydrophobicContact CD1-CB 4.32Å; I139-L182 HydrophobicContact CG1-CB 3.69Å; I139-L186 HydrophobicContact CD1-CB 3.99Å; I139-L186 HydrophobicContact CD1-CD2 4.07Å
140E88.9Confident84.5Confident36 Ų3640.1 Ų40.117%0.16820%0.201CC..Hα-helixtrans-61.8-43.5176.1-77177.9-164.700111.7L136 E137 V144 H250 R253L136-E140 WeakPolarHBondContact O-CB 3.3Å; L136-E140 WeakPolarHBondContact O-CG 3.4Å; L136-E140 PolarHBondContact O-N 3.07Å; E137-E140 PolarHBondContact O-N 3.46Å; E140-V144 HydrophobicContact CB-CG2 4.16Å; E140-V144 HydrophobicContact CG-CG2 4.35Å; E140-V144 WeakPolarHBondContact O-CB 3.43Å; E140-V144 WeakPolarHBondContact O-CG2 3.34Å; E140-H250 VanDerWaalsContact CG-ND1 3.28Å; E140-H250 WeakPolarHBondContact CG-ND1 3.36Å; E140-H250 WeakPolarHBondContact OE1-CA 3.46Å; E140-H250 IonicContact OE1-CE1 2.81Å; E140-H250 IonicContact OE1-CG 2.71Å; E140-H250 IonicContact OE1-ND1 2.51Å; E140-H250 PolarHBondContact OE1-ND1 3Å; E140-R253 WeakPolarHBondContact OE1-CD 3.02Å; E140-R253 IonicContact OE1-NH1 3.88Å; E140-R253 WeakPolarHBondContact OE2-CD 3.31Å; E140-R253 IonicContact OE2-CZ 3.83Å; E140-R253 IonicContact OE2-NH1 2.85Å; E140-R253 PolarHBondContact OE2-NH1 3.27Å
141R85.5Confident84.2Confident142 Ų14243.3 Ų43.354%0.53621%0.208SC..Hα-helixtrans-66.6-39.7-178.4-168.9-178-56.4108.210.4113.2E137 A138 I139 D175E137-R141 WeakPolarHBondContact O-CB 3.39Å; E137-R141 PolarHBondContact O-N 3.39Å; A138-R141 PolarHBondContact O-N 2.82Å; I139-R141 VanDerWaalsContact C-N 3.35Å; I139-R141 PolarHBondContact O-N 3.16Å; R141-D175 IonicContact CZ-OD1 3.58Å; R141-D175 IonicContact NH1-OD1 3.86Å; R141-D175 PolarHBondContact NH1-OD1 3.33Å; R141-D175 IonicContact NH1-OD2 2.79Å; R141-D175 PolarHBondContact NH1-OD2 3.41Å
142K83.1Confident83.5Confident76 Ų7647.1 Ų47.133%0.3323%0.232SC..Hα-helixtrans-97.4-27.9-174.5-67.5-176.8175.2-170.40114.3A138 D175 L177 L179 L182A138-K142 PolarHBondContact O-N 2.94Å; A138-K142 VanDerWaalsContact O-N 3.08Å; K142-D175 WeakPolarHBondContact CE-O 3.49Å; K142-D175 VanDerWaalsContact NZ-C 3.35Å; K142-D175 PolarHBondContact NZ-O 2.65Å; K142-L177 PolarHBondContact NZ-O 3.34Å; K142-L179 HydrophobicContact CB-CD1 4.17Å; K142-L182 HydrophobicContact CD-CD1 4.02Å
143G80.3Confident83Confident0 Ų049.3 Ų49.30%024%0.241CC..Hα-helixtrans-111.4-15.1-161.700000116.2I139 D145 N146I139-G143 VanDerWaalsContact O-CA 3.25Å; I139-G143 WeakPolarHBondContact O-CA 3.45Å; I139-G143 PolarHBondContact O-N 3.42Å; G143-D145 VanDerWaalsContact C-N 3.27Å; G143-D145 PolarHBondContact O-N 3.37Å; G143-N146 WeakPolarHBondContact O-CB 3.43Å; G143-N146 PolarHBondContact O-N 3.2Å
144V80.4Confident82.2Confident23 Ų2351 Ų5114%0.13925%0.252CS..THydrogen-bonded Turntrans-61.9-31.4-170.9163.70000113.9E140 N257 N261E140-V144 HydrophobicContact CB-CG2 4.16Å; E140-V144 HydrophobicContact CG-CG2 4.35Å; E140-V144 WeakPolarHBondContact O-CB 3.43Å; E140-V144 WeakPolarHBondContact O-CG2 3.34Å; V144-N257 HydrophobicContact CG1-CB 3.66Å; V144-N257 WeakPolarHBondContact CG1-ND2 3.43Å; V144-N257 WeakPolarHBondContact O-CB 3.32Å; V144-N261 PolarHBondContact O-ND2 3.23Å; V144-N261 VanDerWaalsContact O-ND2 3.13Å
145D79.6Confident80.8Confident97 Ų9753.1 Ų53.152%0.51929%0.285SS..THydrogen-bonded Turntrans-92.4-2.4176-70.1-50000113.5G143 K260G143-D145 VanDerWaalsContact C-N 3.27Å; G143-D145 PolarHBondContact O-N 3.37Å; D145-K260 HydrophobicContact CB-CD 4.46Å; D145-K260 WeakPolarHBondContact OD1-CD 3.37Å; D145-K260 WeakPolarHBondContact OD1-CE 3.48Å; D145-K260 IonicContact OD1-NZ 3.6Å; D145-K260 PolarHBondContact OD1-NZ 2.73Å
146N81.6Confident79.4Confident52 Ų5254.9 Ų54.928%0.27830%0.303SS..  trans-88.3122.9-172.7-168.7-40.5000112G143 T148 L149 L179 N261G143-N146 WeakPolarHBondContact O-CB 3.43Å; G143-N146 PolarHBondContact O-N 3.2Å; N146-T148 PolarHBondContact O-N 3.36Å; N146-T148 PolarHBondContact OD1-N 2.85Å; N146-T148 PolarHBondContact OD1-OG1 3.33Å; N146-L149 WeakPolarHBondContact O-CB 3.46Å; N146-L149 PolarHBondContact O-N 3.03Å; N146-L179 HydrophobicContact CB-CD2 3.78Å; N146-L179 WeakPolarHBondContact ND2-CD2 3.46Å; N146-N261 WeakPolarHBondContact O-CB 3.47Å
147P77.5Confident78.1Confident59 Ų5955.2 Ų55.238%0.38331%0.307SS..THydrogen-bonded Turntrans-68-14.1-179.929-36.1000114.8R151P147-R151 VanDerWaalsContact O-CZ 3.29Å; P147-R151 PolarHBondContact O-NH1 3.17Å
148T79Confident77Confident82 Ų8251.1 Ų51.150%0.50329%0.29SS..THydrogen-bonded Turntrans-1037.9179.863.60000113.6N146 Y150 R151N146-T148 PolarHBondContact O-N 3.36Å; N146-T148 PolarHBondContact OD1-N 2.85Å; N146-T148 PolarHBondContact OD1-OG1 3.33Å; T148-Y150 PolarHBondContact O-N 3.37Å; T148-R151 PolarHBondContact O-N 2.92Å; T148-R151 VanDerWaalsContact O-N 3.17Å
149L83.3Confident76.2Confident2 Ų255.3 Ų55.31%0.0131%0.312CS..THydrogen-bonded Turntrans-53.9130.1179.7-176.769.4000111.1I139 N146 R151 L179 C183 V254 L263I139-L149 HydrophobicContact CG2-CD1 3.74Å; N146-L149 WeakPolarHBondContact O-CB 3.46Å; N146-L149 PolarHBondContact O-N 3.03Å; L149-R151 PolarHBondContact O-N 3.05Å; L149-L179 HydrophobicContact CD1-CD1 3.93Å; L149-L179 HydrophobicContact CD1-CD2 4.32Å; L149-L179 HydrophobicContact CD1-CG 4.37Å; L149-C183 VanDerWaalsContact CD1-SG 3.55Å; L149-V254 HydrophobicContact CD2-CG1 3.67Å; L149-V254 HydrophobicContact CD2-CG2 4.13Å; L149-L263 HydrophobicContact CB-CD1 3.93Å; L149-L263 HydrophobicContact CD2-CD1 3.91Å; L149-L263 HydrophobicContact CG-CD1 4.04Å; L149-L263 WeakPolarHBondContact O-CD1 3.48Å
150Y82.4Confident75.5Confident2 Ų260.6 Ų60.61%0.00834%0.337CS..THydrogen-bonded Turntrans57.510.3-178.6-58.4-54.7000117.4I139 T148 F153 C183 L186 H250 F251 L263 L268 F272I139-Y150 HydrophobicContact CD1-CE1 4.4Å; I139-Y150 HydrophobicContact CG2-CE2 4.48Å; I139-Y150 WeakPolarHBondContact CG2-OH 3.22Å; T148-Y150 PolarHBondContact O-N 3.37Å; Y150-F153 HydrophobicContact CD1-CE1 4.44Å; Y150-F153 HydrophobicContact CD1-CZ 4.27Å; Y150-F153 WeakPolarHBondContact O-CE2 3.35Å; Y150-C183 HydrophobicContact CD1-CB 3.92Å; Y150-C183 HydrophobicContact CE1-CB 4.06Å; Y150-L186 HydrophobicContact CE1-CD2 3.76Å; Y150-L186 WeakPolarHBondContact OH-CD2 3.44Å; Y150-H250 AromaticContact CE2-NE2 3.7Å; Y150-H250 AromaticContact CZ-NE2 3.62Å; Y150-H250 PolarHBondContact OH-NE2 2.75Å; Y150-F251 HydrophobicContact CE2-CE1 4.38Å; Y150-L263 HydrophobicContact CD2-CD1 4.22Å; Y150-L268 HydrophobicContact CD2-CD2 4.03Å; Y150-F272 HydrophobicContact CD1-CE2 4.07Å; Y150-F272 AromaticContact CD1-CZ 3.68Å; Y150-F272 HydrophobicContact CD1-CZ 3.68Å; Y150-F272 HydrophobicContact CD2-CE2 4.13Å; Y150-F272 HydrophobicContact CD2-CZ 4.45Å; Y150-F272 HydrophobicContact CE1-CE2 4.39Å; Y150-F272 AromaticContact CE1-CZ 3.77Å; Y150-F272 HydrophobicContact CE1-CZ 3.77Å; Y150-F272 HydrophobicContact CE2-CE2 4.43Å; Y150-F272 AromaticContact CG-CE2 3.93Å; Y150-F272 HydrophobicContact CG-CE2 3.93Å; Y150-F272 HydrophobicContact CG-CZ 4.04Å
151R76.6Confident74.8Confident110 Ų11059 Ų5942%0.41533%0.329SS..THydrogen-bonded Turntrans-94-21.8-179-68.7177.9177.8176.8-15114.1P147 T148 L149 Q262P147-R151 VanDerWaalsContact O-CZ 3.29Å; P147-R151 PolarHBondContact O-NH1 3.17Å; T148-R151 PolarHBondContact O-N 2.92Å; T148-R151 VanDerWaalsContact O-N 3.17Å; L149-R151 PolarHBondContact O-N 3.05Å; R151-Q262 PolarHBondContact NH2-O 3.13Å
152T72.4Confident74.3Confident92 Ų9254.5 Ų54.556%0.56431%0.313SS*.  trans-122.8118.8-178.9-50.40000108
153F76.3Confident73.8Confident47 Ų4756.7 Ų56.721%0.20632%0.324CS..  trans-118.1133.3171.7-64-79.4000109.2Y150 D184 R187 I271Y150-F153 HydrophobicContact CD1-CE1 4.44Å; Y150-F153 HydrophobicContact CD1-CZ 4.27Å; Y150-F153 WeakPolarHBondContact O-CE2 3.35Å; F153-D184 WeakPolarHBondContact CA-OD1 3.25Å; F153-D184 VanDerWaalsContact CB-OD1 3.28Å; F153-D184 WeakPolarHBondContact CB-OD1 3.21Å; F153-D184 VanDerWaalsContact CD1-OD1 3.25Å; F153-D184 WeakPolarHBondContact CD1-OD1 3.45Å; F153-R187 HydrophobicContact CD1-CB 4.01Å; F153-R187 HydrophobicContact CD1-CG 4.32Å; F153-R187 VanDerWaalsContact CD2-NH1 3.31Å; F153-R187 HydrophobicContact CE1-CB 3.74Å; F153-R187 HydrophobicContact CE1-CG 4.2Å; F153-I271 HydrophobicContact CE2-CG2 3.61Å; F153-I271 HydrophobicContact CZ-CG2 3.76Å
154T72.5Confident73.5Confident78 Ų7858.6 Ų58.648%0.47933%0.332SS..  trans-90.4137-179.664.90000110.7G156 G157 D184T154-G156 PolarHBondContact O-N 3.45Å; T154-G157 PolarHBondContact O-N 3.42Å; T154-G157 WeakPolarHBondContact OG1-CA 3.34Å; T154-G157 PolarHBondContact OG1-N 3.26Å; T154-D184 WeakPolarHBondContact CB-OD2 3.48Å; T154-D184 PolarHBondContact N-OD1 3.14Å; T154-D184 PolarHBondContact N-OD2 2.74Å; T154-D184 VanDerWaalsContact N-OD2 3.11Å; T154-D184 PolarHBondContact OG1-OD2 2.88Å
155A55.8Low73.3Confident118 Ų11858.6 Ų58.698%0.97533%0.329SS*.THydrogen-bonded Turntrans-69.399175.300000108.8
156G58Low72.4Confident36 Ų3660.8 Ų60.837%0.37134%0.341SS..THydrogen-bonded Turntrans108.4-4.4-172.100000114.6T154 L159T154-G156 PolarHBondContact O-N 3.45Å; G156-L159 WeakPolarHBondContact O-CD1 3.35Å; G156-L159 VanDerWaalsContact O-CG 3.29Å; G156-L159 WeakPolarHBondContact O-CG 3.49Å
157G62.7Low71.5Confident12 Ų1262.3 Ų62.312%0.12436%0.355CS..THydrogen-bonded Turntrans-63.2152.8173.500000112.8T154 L159T154-G157 PolarHBondContact O-N 3.42Å; T154-G157 WeakPolarHBondContact OG1-CA 3.34Å; T154-G157 PolarHBondContact OG1-N 3.26Å; G157-L159 VanDerWaalsContact C-N 3.33Å; G157-L159 PolarHBondContact O-N 2.95Å
158G66.1Low70.9Confident8 Ų863.5 Ų63.58%0.08236%0.358CS..THydrogen-bonded Turntrans80.35.5175.800000115.3E160 I161G158-E160 PolarHBondContact O-N 2.87Å; G158-I161 WeakPolarHBondContact O-CB 3.45Å; G158-I161 PolarHBondContact O-N 2.64Å
159L70.4Confident70.3Confident89 Ų8959.8 Ų59.847%0.46634%0.335SS..Hα-helixtrans-62.5-32.3174-72171.4000112.3G156 G157 I161 R162G156-L159 WeakPolarHBondContact O-CD1 3.35Å; G156-L159 VanDerWaalsContact O-CG 3.29Å; G156-L159 WeakPolarHBondContact O-CG 3.49Å; G157-L159 VanDerWaalsContact C-N 3.33Å; G157-L159 PolarHBondContact O-N 2.95Å; L159-I161 PolarHBondContact O-N 3.44Å; L159-I161 VanDerWaalsContact O-N 3.12Å; L159-R162 WeakPolarHBondContact O-CB 3.46Å; L159-R162 PolarHBondContact O-N 3.47Å
160E72.6Confident69.7Low112 Ų11262.8 Ų62.852%0.52336%0.355SS..Hα-helixtrans-60.8-16.4172.5-62.9174.1-178.200113G158 Q163 Y164 L177G158-E160 PolarHBondContact O-N 2.87Å; E160-Q163 VanDerWaalsContact O-CG 3.22Å; E160-Q163 WeakPolarHBondContact O-CG 3.25Å; E160-Q163 PolarHBondContact O-NE2 3.04Å; E160-Y164 WeakPolarHBondContact O-CD2 3.24Å; E160-Y164 VanDerWaalsContact O-CE2 3.32Å; E160-Y164 WeakPolarHBondContact O-CE2 3.37Å; E160-L177 WeakPolarHBondContact OE2-CD2 3.49Å
161I74.8Confident68.9Low1 Ų165.4 Ų65.41%0.00538%0.376CS..Hα-helixtrans-85.1-22.2176.1-59.5-53.1000111.9L131 L135 G158 L159 Q163 Y164 Y165 L177L131-I161 HydrophobicContact CD2-CG2 4.39Å; L135-I161 HydrophobicContact CD1-CG2 3.88Å; L135-I161 HydrophobicContact CD2-CD1 3.93Å; L135-I161 HydrophobicContact CD2-CG1 4.31Å; L135-I161 HydrophobicContact CD2-CG2 4.4Å; G158-I161 WeakPolarHBondContact O-CB 3.45Å; G158-I161 PolarHBondContact O-N 2.64Å; L159-I161 PolarHBondContact O-N 3.44Å; L159-I161 VanDerWaalsContact O-N 3.12Å; I161-Q163 PolarHBondContact O-N 3.3Å; I161-Y164 HydrophobicContact CD1-CD2 4.34Å; I161-Y164 PolarHBondContact O-N 3.48Å; I161-Y165 HydrophobicContact CG2-CE1 4.17Å; I161-Y165 WeakPolarHBondContact O-CD1 3.32Å; I161-L177 HydrophobicContact CD1-CD1 3.54Å
162R74.6Confident68.5Low49 Ų4963.1 Ų63.119%0.18538%0.381CS..Hα-helixtrans-62.8-31.2178.1-68.9-172.3165.4176.2-6.7112.9L159 Y164 Y165 D192L159-R162 WeakPolarHBondContact O-CB 3.46Å; L159-R162 PolarHBondContact O-N 3.47Å; R162-Y164 PolarHBondContact O-N 3.45Å; R162-Y164 VanDerWaalsContact O-N 3.13Å; R162-Y165 HydrophobicContact CB-CD2 4.33Å; R162-Y165 HydrophobicContact CB-CE2 4.16Å; R162-Y165 HydrophobicContact CG-CD2 4.35Å; R162-Y165 HydrophobicContact CG-CE1 4.48Å; R162-Y165 HydrophobicContact CG-CE2 3.69Å; R162-Y165 WeakPolarHBondContact O-CB 3.4Å; R162-Y165 PolarHBondContact O-N 3.33Å; R162-Y165 VanDerWaalsContact O-N 3.14Å; R162-D192 IonicContact CZ-OD1 2.61Å; R162-D192 IonicContact CZ-OD2 3.7Å; R162-D192 IonicContact NE-OD1 2.83Å; R162-D192 IonicContact NE-OD2 2.69Å; R162-D192 PolarHBondContact NE-OD2 2.95Å; R162-D192 IonicContact NH2-OD1 4Å; R162-D192 PolarHBondContact NH2-OD1 3.41Å; R162-D192 IonicContact NH2-OD2 2.69Å; R162-D192 PolarHBondContact NH2-OD2 3.11Å
163Q72.9Confident68.6Low121 Ų12162.6 Ų62.657%0.56537%0.372SS*.THydrogen-bonded Turntrans-63.8-16.5176.877.3-165-29.300112.9E160 I161E160-Q163 VanDerWaalsContact O-CG 3.22Å; E160-Q163 WeakPolarHBondContact O-CG 3.25Å; E160-Q163 PolarHBondContact O-NE2 3.04Å; I161-Q163 PolarHBondContact O-N 3.3Å
164Y74.7Confident68.5Low41 Ų4160.4 Ų60.416%0.16136%0.363CS..THydrogen-bonded Turntrans-105.110.6179.7-52.1-61000113L131 E160 I161 R162 D166 C167 P169 L174L131-Y164 WeakPolarHBondContact CD2-O 3.44Å; E160-Y164 WeakPolarHBondContact O-CD2 3.24Å; E160-Y164 VanDerWaalsContact O-CE2 3.32Å; E160-Y164 WeakPolarHBondContact O-CE2 3.37Å; I161-Y164 HydrophobicContact CD1-CD2 4.34Å; I161-Y164 PolarHBondContact O-N 3.48Å; R162-Y164 PolarHBondContact O-N 3.45Å; R162-Y164 VanDerWaalsContact O-N 3.13Å; Y164-D166 VanDerWaalsContact C-N 3.32Å; Y164-C167 CarbonylContact C-O 3.6Å; Y164-P169 HydrophobicContact CD1-CB 3.51Å; Y164-P169 HydrophobicContact CD1-CG 4.16Å; Y164-P169 HydrophobicContact CD2-CB 4.41Å; Y164-P169 HydrophobicContact CD2-CG 4.48Å; Y164-P169 HydrophobicContact CE1-CB 3.85Å; Y164-P169 HydrophobicContact CG-CB 3.8Å; Y164-P169 HydrophobicContact CG-CG 3.95Å; Y164-L174 HydrophobicContact CD2-CD1 4.49Å; Y164-L174 HydrophobicContact CE2-CD1 4.48Å
165Y74.8Confident68.7Low23 Ų2359.5 Ų59.59%0.0936%0.355CS..SBendtrans-66.8-34177.3-74.2-1.9000112.6V113 L115 L131 I161 R162 Y189 D192V113-Y165 HydrophobicContact CG1-CD2 4.26Å; L115-Y165 HydrophobicContact CB-CD2 4.03Å; L115-Y165 HydrophobicContact CB-CE2 4.04Å; L115-Y165 HydrophobicContact CD1-CD1 3.95Å; L115-Y165 HydrophobicContact CD1-CD2 3.72Å; L115-Y165 HydrophobicContact CD1-CE1 4.44Å; L115-Y165 HydrophobicContact CD1-CE2 4.25Å; L115-Y165 HydrophobicContact CD1-CG 3.55Å; L115-Y165 HydrophobicContact CG-CD2 4.39Å; L131-Y165 HydrophobicContact CD2-CD1 3.81Å; L131-Y165 HydrophobicContact CD2-CE1 4.3Å; I161-Y165 HydrophobicContact CG2-CE1 4.17Å; I161-Y165 WeakPolarHBondContact O-CD1 3.32Å; R162-Y165 HydrophobicContact CB-CD2 4.33Å; R162-Y165 HydrophobicContact CB-CE2 4.16Å; R162-Y165 HydrophobicContact CG-CD2 4.35Å; R162-Y165 HydrophobicContact CG-CE1 4.48Å; R162-Y165 HydrophobicContact CG-CE2 3.69Å; R162-Y165 WeakPolarHBondContact O-CB 3.4Å; R162-Y165 PolarHBondContact O-N 3.33Å; R162-Y165 VanDerWaalsContact O-N 3.14Å; Y165-Y189 HydrophobicContact CD1-CD2 4.38Å; Y165-Y189 AromaticContact CE1-CD2 3.86Å; Y165-Y189 HydrophobicContact CE1-CD2 3.86Å; Y165-Y189 WeakPolarHBondContact OH-CA 3.47Å; Y165-D192 HydrophobicContact CE2-CB 3.95Å; Y165-D192 WeakPolarHBondContact CE2-OD2 3.4Å; Y165-D192 PolarHBondContact OH-OD2 3.19Å
166D61.4Low69.9Low143 Ų14361 Ų6177%0.76534%0.342SS*.SBendtrans-100.6-3.5-178.6-60.9-37.4000113.3Y164Y164-D166 VanDerWaalsContact C-N 3.32Å
167C62.5Low71Confident84 Ų8460.6 Ų60.657%0.56833%0.331SS*.SBendtrans-138.7130.1-173.9-73.40000110.4Y164 P169Y164-C167 CarbonylContact C-O 3.6Å; C167-P169 WeakPolarHBondContact O-CD 3.45Å
168D64.7Low71.9Confident84 Ų8466.9 Ų66.945%0.44936%0.357SS..  trans-75.5104.5177.3-17312.9000110.9R134R134-D168 IonicContact CZ-OD1 2.69Å; R134-D168 IonicContact CZ-OD2 2.71Å; R134-D168 VanDerWaalsContact CZ-OD2 3.31Å; R134-D168 IonicContact NE-OD1 3.91Å; R134-D168 PolarHBondContact NE-OD1 3.28Å; R134-D168 IonicContact NE-OD2 3.06Å; R134-D168 IonicContact NH1-OD1 3.74Å; R134-D168 PolarHBondContact NH1-OD1 2.67Å; R134-D168 IonicContact NH1-OD2 3.29Å; R134-D168 IonicContact NH2-OD1 3.52Å; R134-D168 PolarHBondContact NH2-OD1 2.87Å; R134-D168 VanDerWaalsContact NH2-OD1 3.07Å; R134-D168 IonicContact NH2-OD2 2.7Å; R134-D168 PolarHBondContact NH2-OD2 3.44Å
169P67.7Low72.8Confident3 Ų367.2 Ų67.22%0.01936%0.357CS..  trans-78.7133-168.130.5-32000111.4L131 R134 Y164 C167 A171 L174L131-P169 HydrophobicContact CD1-CG 3.6Å; R134-P169 WeakPolarHBondContact CD-O 3.33Å; R134-P169 VanDerWaalsContact NH1-C 3.33Å; R134-P169 PolarHBondContact NH1-O 3.34Å; Y164-P169 HydrophobicContact CD1-CB 3.51Å; Y164-P169 HydrophobicContact CD1-CG 4.16Å; Y164-P169 HydrophobicContact CD2-CB 4.41Å; Y164-P169 HydrophobicContact CD2-CG 4.48Å; Y164-P169 HydrophobicContact CE1-CB 3.85Å; Y164-P169 HydrophobicContact CG-CB 3.8Å; Y164-P169 HydrophobicContact CG-CG 3.95Å; C167-P169 WeakPolarHBondContact O-CD 3.45Å; P169-A171 PolarHBondContact O-N 2.67Å; P169-L174 HydrophobicContact CB-CD1 3.61Å; P169-L174 HydrophobicContact CG-CD1 3.35Å; P169-L174 HydrophobicContact CG-CD2 4.43Å
170P70.4Confident73.4Confident66 Ų6666.4 Ų66.443%0.42936%0.357SS..  trans-54.9140.6178.124.4-33.2000111.3A172 E173P170-A172 PolarHBondContact O-N 2.83Å; P170-E173 WeakPolarHBondContact CD-OE2 3.26Å; P170-E173 HydrophobicContact CG-CB 4.42Å; P170-E173 VanDerWaalsContact CG-CD 3.48Å; P170-E173 HydrophobicContact CG-CG 3.89Å; P170-E173 WeakPolarHBondContact CG-OE1 3.37Å; P170-E173 PolarHBondContact O-N 3.41Å
171A65.9Low74Confident56 Ų5662.3 Ų62.346%0.46334%0.343SS..Hα-helixtrans-53.2-29.9-174.900000113.7P169 E173 D175P169-A171 PolarHBondContact O-N 2.67Å; A171-E173 VanDerWaalsContact C-N 3.31Å; A171-E173 PolarHBondContact O-N 3.02Å; A171-D175 WeakPolarHBondContact O-CB 2.99Å; A171-D175 PolarHBondContact O-N 3.48Å; A171-D175 VanDerWaalsContact O-N 3.07Å
172A68.1Low74.5Confident63 Ų6362.3 Ų62.352%0.52134%0.342SS..Hα-helixtrans-66.6-23.3178.100000114.7P170 Q176P170-A172 PolarHBondContact O-N 2.83Å; A172-Q176 WeakPolarHBondContact O-CG 3.48Å; A172-Q176 PolarHBondContact O-NE2 3.44Å
173E74.1Confident75.1Confident80 Ų8060.1 Ų60.137%0.37434%0.335SS..Hα-helixtrans-82.1-42.6177.7-74.7174-170.300111.2P170 A171 D175 Q176P170-E173 WeakPolarHBondContact CD-OE2 3.26Å; P170-E173 HydrophobicContact CG-CB 4.42Å; P170-E173 VanDerWaalsContact CG-CD 3.48Å; P170-E173 HydrophobicContact CG-CG 3.89Å; P170-E173 WeakPolarHBondContact CG-OE1 3.37Å; P170-E173 PolarHBondContact O-N 3.41Å; A171-E173 VanDerWaalsContact C-N 3.31Å; A171-E173 PolarHBondContact O-N 3.02Å; E173-D175 VanDerWaalsContact C-N 3.28Å; E173-D175 PolarHBondContact O-N 3.3Å; E173-Q176 WeakPolarHBondContact O-CB 3.48Å; E173-Q176 PolarHBondContact O-N 3.08Å; E173-Q176 VanDerWaalsContact O-N 3.11Å
174L74.8Confident75.7Confident2 Ų254.8 Ų54.81%0.0131%0.31CS..Hα-helixtrans-66.2-32173.6-9264000112R134 L135 Y164 P169 Q176 L177R134-L174 HydrophobicContact CB-CD2 3.9Å; L135-L174 HydrophobicContact CD2-CD2 3.73Å; L135-L174 HydrophobicContact CD2-CG 4.32Å; L135-L174 HydrophobicContact CG-CD2 3.91Å; Y164-L174 HydrophobicContact CD2-CD1 4.49Å; Y164-L174 HydrophobicContact CE2-CD1 4.48Å; P169-L174 HydrophobicContact CB-CD1 3.61Å; P169-L174 HydrophobicContact CG-CD1 3.35Å; P169-L174 HydrophobicContact CG-CD2 4.43Å; L174-Q176 PolarHBondContact O-N 3.04Å; L174-L177 PolarHBondContact O-N 2.94Å
175D76.1Confident76.2Confident59 Ų5952.8 Ų52.832%0.31630%0.302SS..THydrogen-bonded Turntrans-69.6-10.5174.3-83.3-27.3000113.6R141 K142 A171 E173R141-D175 IonicContact CZ-OD1 3.58Å; R141-D175 IonicContact NH1-OD1 3.86Å; R141-D175 PolarHBondContact NH1-OD1 3.33Å; R141-D175 IonicContact NH1-OD2 2.79Å; R141-D175 PolarHBondContact NH1-OD2 3.41Å; K142-D175 WeakPolarHBondContact CE-O 3.49Å; K142-D175 VanDerWaalsContact NZ-C 3.35Å; K142-D175 PolarHBondContact NZ-O 2.65Å; A171-D175 WeakPolarHBondContact O-CB 2.99Å; A171-D175 PolarHBondContact O-N 3.48Å; A171-D175 VanDerWaalsContact O-N 3.07Å; E173-D175 VanDerWaalsContact C-N 3.28Å; E173-D175 PolarHBondContact O-N 3.3Å
176Q79.9Confident76.9Confident149 Ų14951.7 Ų51.770%0.69630%0.298SS*.THydrogen-bonded Turntrans-86.1-18172-69.616746.500112.7A172 E173 L174A172-Q176 WeakPolarHBondContact O-CG 3.48Å; A172-Q176 PolarHBondContact O-NE2 3.44Å; E173-Q176 WeakPolarHBondContact O-CB 3.48Å; E173-Q176 PolarHBondContact O-N 3.08Å; E173-Q176 VanDerWaalsContact O-N 3.11Å; L174-Q176 PolarHBondContact O-N 3.04Å
177L81.6Confident78.1Confident28 Ų2848.6 Ų48.615%0.14728%0.276CS..SBendtrans-78140.6-177.8-62.4176.5000112.4K142 E160 I161 L174 L182K142-L177 PolarHBondContact NZ-O 3.34Å; E160-L177 WeakPolarHBondContact OE2-CD2 3.49Å; I161-L177 HydrophobicContact CD1-CD1 3.54Å; L174-L177 PolarHBondContact O-N 2.94Å; L177-L182 HydrophobicContact CB-CD2 3.96Å; L177-L182 HydrophobicContact CB-CG 4.07Å; L177-L182 HydrophobicContact CD1-CD2 4.11Å
178E82.7Confident79.2Confident143 Ų14347 Ų4767%0.66826%0.258SS*.  trans-67150.2176.5-70.4-62.6151.500111.8P180 A181 L182E178-P180 VanDerWaalsContact C-CD 3.48Å; E178-A181 WeakPolarHBondContact O-CB 3.38Å; E178-A181 PolarHBondContact O-N 3.47Å; E178-L182 PolarHBondContact O-N 3.12Å; E178-L182 VanDerWaalsContact O-N 3.11Å
179L83.8Confident80.3Confident16 Ų1643 Ų438%0.08424%0.236CC..Hα-helixtrans-53.9-42.3-176.7179.667.1000113.9I139 K142 N146 L149 A181 L182 C183I139-L179 HydrophobicContact CG2-CD1 4.38Å; K142-L179 HydrophobicContact CB-CD1 4.17Å; N146-L179 HydrophobicContact CB-CD2 3.78Å; N146-L179 WeakPolarHBondContact ND2-CD2 3.46Å; L149-L179 HydrophobicContact CD1-CD1 3.93Å; L149-L179 HydrophobicContact CD1-CD2 4.32Å; L149-L179 HydrophobicContact CD1-CG 4.37Å; L179-A181 VanDerWaalsContact C-N 3.33Å; L179-A181 PolarHBondContact O-N 2.79Å; L179-L182 PolarHBondContact O-N 3.05Å; L179-C183 PolarHBondContact O-N 3.42Å; L179-C183 PolarHBondContact O-SG 3.2Å; L179-C183 VanDerWaalsContact O-SG 3.41Å
180P84.5Confident81.2Confident72 Ų7242.9 Ų42.947%0.46824%0.236SC..Hα-helixtrans-61.6-38.2175.3-23.936000113.3E178 C183 D184E178-P180 VanDerWaalsContact C-CD 3.48Å; P180-C183 PolarHBondContact O-N 3.12Å; P180-D184 WeakPolarHBondContact O-CB 3.14Å; P180-D184 PolarHBondContact O-N 3.24Å
181A84.3Confident82Confident26 Ų2643.7 Ų43.722%0.21523%0.233CC..Hα-helixtrans-67.1-37.5178.500000111.7E178 L179 G185E178-A181 WeakPolarHBondContact O-CB 3.38Å; E178-A181 PolarHBondContact O-N 3.47Å; L179-A181 VanDerWaalsContact C-N 3.33Å; L179-A181 PolarHBondContact O-N 2.79Å; A181-G185 PolarHBondContact O-N 2.89Å
182L84.9Confident82.8Confident0 Ų042.1 Ų42.10%022%0.217CC..Hα-helixtrans-65.5-43.3173.3-66.9171.5000112L135 A138 I139 K142 L177 E178 L179 G185 L186L135-L182 HydrophobicContact CD2-CD2 4.06Å; A138-L182 HydrophobicContact CB-CD1 3.95Å; A138-L182 HydrophobicContact CB-CD2 4.28Å; I139-L182 HydrophobicContact CD1-CB 4.32Å; I139-L182 HydrophobicContact CG1-CB 3.69Å; K142-L182 HydrophobicContact CD-CD1 4.02Å; L177-L182 HydrophobicContact CB-CD2 3.96Å; L177-L182 HydrophobicContact CB-CG 4.07Å; L177-L182 HydrophobicContact CD1-CD2 4.11Å; E178-L182 PolarHBondContact O-N 3.12Å; E178-L182 VanDerWaalsContact O-N 3.11Å; L179-L182 PolarHBondContact O-N 3.05Å; L182-G185 PolarHBondContact O-N 2.94Å; L182-L186 PolarHBondContact O-N 2.94Å
183C86.4Confident83.6Confident4 Ų439.4 Ų39.43%0.02719%0.194CC..Hα-helixtrans-64.3-43.8176.3-70.60000112.6L149 Y150 L179 P180 G185 L186 R187L149-C183 VanDerWaalsContact CD1-SG 3.55Å; Y150-C183 HydrophobicContact CD1-CB 3.92Å; Y150-C183 HydrophobicContact CE1-CB 4.06Å; L179-C183 PolarHBondContact O-N 3.42Å; L179-C183 PolarHBondContact O-SG 3.2Å; L179-C183 VanDerWaalsContact O-SG 3.41Å; P180-C183 PolarHBondContact O-N 3.12Å; C183-G185 VanDerWaalsContact C-N 3.32Å; C183-L186 PolarHBondContact O-N 2.9Å; C183-R187 PolarHBondContact O-N 3.08Å; C183-R187 VanDerWaalsContact O-N 3.12Å
184D85.5Confident84Confident8 Ų838.2 Ų38.24%0.04319%0.193CC..Hα-helixtrans-63.8-40174.4-79.1-33.1000111.3F153 T154 P180 R187 R188F153-D184 WeakPolarHBondContact CA-OD1 3.25Å; F153-D184 VanDerWaalsContact CB-OD1 3.28Å; F153-D184 WeakPolarHBondContact CB-OD1 3.21Å; F153-D184 VanDerWaalsContact CD1-OD1 3.25Å; F153-D184 WeakPolarHBondContact CD1-OD1 3.45Å; T154-D184 WeakPolarHBondContact CB-OD2 3.48Å; T154-D184 PolarHBondContact N-OD1 3.14Å; T154-D184 PolarHBondContact N-OD2 2.74Å; T154-D184 VanDerWaalsContact N-OD2 3.11Å; T154-D184 PolarHBondContact OG1-OD2 2.88Å; P180-D184 WeakPolarHBondContact O-CB 3.14Å; P180-D184 PolarHBondContact O-N 3.24Å; D184-R187 PolarHBondContact O-N 3.22Å; D184-R188 VanDerWaalsContact O-CB 3.25Å; D184-R188 WeakPolarHBondContact O-CB 3.43Å; D184-R188 PolarHBondContact O-N 3.46Å
185G86.2Confident84.3Confident0 Ų042.4 Ų42.40%021%0.213CC..Hα-helixtrans-58-47.8173.600000113.5A181 L182 C183 R188 Y189A181-G185 PolarHBondContact O-N 2.89Å; L182-G185 PolarHBondContact O-N 2.94Å; C183-G185 VanDerWaalsContact C-N 3.32Å; G185-R188 PolarHBondContact O-N 3.2Å; G185-Y189 WeakPolarHBondContact O-CB 3.25Å; G185-Y189 PolarHBondContact O-N 2.85Å
186L88.9Confident84.6Confident0 Ų040.6 Ų40.60%020%0.204CC..Hα-helixtrans-59.9-48.2175.1176.264.4000111.2L132 L136 I139 Y150 L182 C183 R188 Y189 L190 L247 F272L132-L186 HydrophobicContact CD1-CD1 3.42Å; L132-L186 VanDerWaalsContact CD1-CD1 3.42Å; L136-L186 HydrophobicContact CD2-CD1 3.74Å; L136-L186 HydrophobicContact CD2-CD2 3.72Å; L136-L186 HydrophobicContact CD2-CG 4.38Å; I139-L186 HydrophobicContact CD1-CB 3.99Å; I139-L186 HydrophobicContact CD1-CD2 4.07Å; Y150-L186 HydrophobicContact CE1-CD2 3.76Å; Y150-L186 WeakPolarHBondContact OH-CD2 3.44Å; L182-L186 PolarHBondContact O-N 2.94Å; C183-L186 PolarHBondContact O-N 2.9Å; L186-R188 VanDerWaalsContact C-N 3.3Å; L186-R188 PolarHBondContact O-N 3.12Å; L186-Y189 PolarHBondContact O-N 3.16Å; L186-L190 HydrophobicContact CD1-CD1 4.41Å; L186-L190 HydrophobicContact CD1-CG 4.46Å; L186-L190 WeakPolarHBondContact O-CG 3.43Å; L186-L190 PolarHBondContact O-N 3.29Å; L186-L247 HydrophobicContact CD1-CD2 4.13Å; L186-F272 HydrophobicContact CD2-CE1 4.27Å; L186-F272 HydrophobicContact CD2-CZ 4.17Å
187R87.2Confident84.9Confident78 Ų7833.7 Ų33.729%0.29417%0.172SC..Hα-helixtrans-61-42.8179.4-175.4176.9-174.7-165.45111.2F153 C183 D184 L190 Q191 V275F153-R187 HydrophobicContact CD1-CB 4.01Å; F153-R187 HydrophobicContact CD1-CG 4.32Å; F153-R187 VanDerWaalsContact CD2-NH1 3.31Å; F153-R187 HydrophobicContact CE1-CB 3.74Å; F153-R187 HydrophobicContact CE1-CG 4.2Å; C183-R187 PolarHBondContact O-N 3.08Å; C183-R187 VanDerWaalsContact O-N 3.12Å; D184-R187 PolarHBondContact O-N 3.22Å; R187-L190 PolarHBondContact O-N 2.98Å; R187-Q191 WeakPolarHBondContact O-CG 3.49Å; R187-Q191 PolarHBondContact O-N 2.82Å; R187-Q191 VanDerWaalsContact O-N 3.12Å; R187-V275 HydrophobicContact CG-CG2 4.2Å
188R85.8Confident85Confident51 Ų5132.7 Ų32.719%0.19217%0.167CC..Hα-helixtrans-65.3-46.8179.4-177.86571.2151.310111.8D184 G185 L186 L190 Q191 D192D184-R188 VanDerWaalsContact O-CB 3.25Å; D184-R188 WeakPolarHBondContact O-CB 3.43Å; D184-R188 PolarHBondContact O-N 3.46Å; G185-R188 PolarHBondContact O-N 3.2Å; L186-R188 VanDerWaalsContact C-N 3.3Å; L186-R188 PolarHBondContact O-N 3.12Å; R188-L190 VanDerWaalsContact C-N 3.27Å; R188-L190 PolarHBondContact O-N 2.8Å; R188-Q191 CarbonylContact O-C 3.55Å; R188-Q191 WeakPolarHBondContact O-CA 3.33Å; R188-Q191 WeakPolarHBondContact O-CB 3.32Å; R188-Q191 PolarHBondContact O-N 2.83Å; R188-D192 WeakPolarHBondContact CD-OD2 3.34Å; R188-D192 WeakPolarHBondContact CG-OD2 3.44Å; R188-D192 WeakPolarHBondContact O-CB 3.16Å; R188-D192 PolarHBondContact O-N 3.1Å
189Y87.1Confident85Confident0 Ų026.2 Ų26.20%014%0.137CC..Hα-helixtrans-54.4-44.6176.8173.5-91.7000111.5L115 Q121 P129 L131 L132 Y165 G185 L186 Q191 D192 L193L115-Y189 HydrophobicContact CD1-CE2 4.16Å; L115-Y189 HydrophobicContact CD2-CD2 3.58Å; L115-Y189 HydrophobicContact CD2-CE2 3.4Å; L115-Y189 HydrophobicContact CD2-CG 4.26Å; L115-Y189 HydrophobicContact CG-CE2 4.41Å; Q121-Y189 PolarHBondContact OE1-OH 3.17Å; P129-Y189 VanDerWaalsContact CB-OH 3.29Å; P129-Y189 WeakPolarHBondContact CB-OH 3.49Å; P129-Y189 VanDerWaalsContact CG-OH 3.24Å; P129-Y189 WeakPolarHBondContact CG-OH 3.46Å; L131-Y189 HydrophobicContact CD2-CD2 4.01Å; L131-Y189 HydrophobicContact CD2-CE2 4.07Å; L132-Y189 HydrophobicContact CB-CE1 3.95Å; L132-Y189 HydrophobicContact CD1-CD1 3.87Å; L132-Y189 HydrophobicContact CD1-CE1 3.84Å; L132-Y189 HydrophobicContact CD2-CE1 4.09Å; L132-Y189 HydrophobicContact CG-CE1 4.17Å; Y165-Y189 HydrophobicContact CD1-CD2 4.38Å; Y165-Y189 AromaticContact CE1-CD2 3.86Å; Y165-Y189 HydrophobicContact CE1-CD2 3.86Å; Y165-Y189 WeakPolarHBondContact OH-CA 3.47Å; G185-Y189 WeakPolarHBondContact O-CB 3.25Å; G185-Y189 PolarHBondContact O-N 2.85Å; L186-Y189 PolarHBondContact O-N 3.16Å; Y189-Q191 PolarHBondContact O-N 2.96Å; Y189-D192 PolarHBondContact O-N 2.92Å; Y189-L193 PolarHBondContact O-N 3.43Å
190L87.6Confident84.8Confident0 Ų028.9 Ų28.90%016%0.162CC..Hα-helixtrans-70.3-28.4177.5-62.1-177.3000114L186 R187 R188 L193 I197 L247 F272 V275 F276 R278L186-L190 HydrophobicContact CD1-CD1 4.41Å; L186-L190 HydrophobicContact CD1-CG 4.46Å; L186-L190 WeakPolarHBondContact O-CG 3.43Å; L186-L190 PolarHBondContact O-N 3.29Å; R187-L190 PolarHBondContact O-N 2.98Å; R188-L190 VanDerWaalsContact C-N 3.27Å; R188-L190 PolarHBondContact O-N 2.8Å; L190-L193 HydrophobicContact CD2-CD1 4.18Å; L190-I197 HydrophobicContact CB-CD1 4.44Å; L190-I197 HydrophobicContact CD1-CD1 3.9Å; L190-I197 HydrophobicContact CD2-CD1 3.35Å; L190-I197 HydrophobicContact CD2-CG1 4.03Å; L190-I197 HydrophobicContact CG-CD1 4.08Å; L190-L247 HydrophobicContact CD1-CD1 4.37Å; L190-L247 HydrophobicContact CD1-CD2 4.42Å; L190-L247 HydrophobicContact CD2-CD1 4.09Å; L190-F272 HydrophobicContact CD1-CD1 4.37Å; L190-F272 HydrophobicContact CD1-CE1 4.47Å; L190-V275 HydrophobicContact CB-CG1 3.39Å; L190-V275 HydrophobicContact CD1-CG1 4.31Å; L190-F276 HydrophobicContact CD1-CD1 4.29Å; L190-F276 HydrophobicContact CD1-CE1 3.7Å; L190-R278 PolarHBondContact O-NH2 2.97Å
191Q85.8Confident84.6Confident82 Ų8229.2 Ų29.238%0.38317%0.17SC..Hα-helixtrans-75.5-37.7174.1-74.5176-18.200112.4R187 R188 Y189 L193 V275 R278R187-Q191 WeakPolarHBondContact O-CG 3.49Å; R187-Q191 PolarHBondContact O-N 2.82Å; R187-Q191 VanDerWaalsContact O-N 3.12Å; R188-Q191 CarbonylContact O-C 3.55Å; R188-Q191 WeakPolarHBondContact O-CA 3.33Å; R188-Q191 WeakPolarHBondContact O-CB 3.32Å; R188-Q191 PolarHBondContact O-N 2.83Å; Y189-Q191 PolarHBondContact O-N 2.96Å; Q191-L193 VanDerWaalsContact C-N 3.33Å; Q191-L193 PolarHBondContact O-N 3.38Å; Q191-V275 HydrophobicContact CG-CG1 3.97Å; Q191-V275 HydrophobicContact CG-CG2 4.39Å; Q191-R278 PolarHBondContact O-NH2 3.06Å; Q191-R278 VanDerWaalsContact O-NH2 3.08Å
192D84.3Confident84.5Confident24 Ų2428.2 Ų28.213%0.12816%0.162CC..Hα-helixtrans-78.6-12.4-176-72-13.7000113.3L115 R162 Y165 R188 Y189L115-D192 HydrophobicContact CB-CB 4.28Å; L115-D192 WeakPolarHBondContact CB-O 3.46Å; L115-D192 PolarHBondContact N-O 3.13Å; R162-D192 IonicContact CZ-OD1 2.61Å; R162-D192 IonicContact CZ-OD2 3.7Å; R162-D192 IonicContact NE-OD1 2.83Å; R162-D192 IonicContact NE-OD2 2.69Å; R162-D192 PolarHBondContact NE-OD2 2.95Å; R162-D192 IonicContact NH2-OD1 4Å; R162-D192 PolarHBondContact NH2-OD1 3.41Å; R162-D192 IonicContact NH2-OD2 2.69Å; R162-D192 PolarHBondContact NH2-OD2 3.11Å; Y165-D192 HydrophobicContact CE2-CB 3.95Å; Y165-D192 WeakPolarHBondContact CE2-OD2 3.4Å; Y165-D192 PolarHBondContact OH-OD2 3.19Å; R188-D192 WeakPolarHBondContact CD-OD2 3.34Å; R188-D192 WeakPolarHBondContact CG-OD2 3.44Å; R188-D192 WeakPolarHBondContact O-CB 3.16Å; R188-D192 PolarHBondContact O-N 3.1Å; Y189-D192 PolarHBondContact O-N 2.92Å
193L83.6Confident84.4Confident5 Ų529.5 Ų29.53%0.02617%0.168CC..SBendtrans-54.1150.7172.4-76.4169.7000111.4L115 L118 Q121 Y189 L190 Q191 Q195 I197 R278L115-L193 HydrophobicContact CD2-CD2 3.47Å; L115-L193 VanDerWaalsContact CD2-CD2 3.47Å; L115-L193 HydrophobicContact CD2-CG 3.84Å; L115-L193 HydrophobicContact CG-CD2 4.17Å; L118-L193 HydrophobicContact CD1-CD1 4.4Å; L118-L193 HydrophobicContact CD2-CD1 4.33Å; L118-L193 HydrophobicContact CD2-CD2 3.72Å; L118-L193 HydrophobicContact CG-CD1 4.42Å; L118-L193 HydrophobicContact CG-CD2 3.86Å; Q121-L193 VanDerWaalsContact NE2-CD2 3.28Å; Y189-L193 PolarHBondContact O-N 3.43Å; L190-L193 HydrophobicContact CD2-CD1 4.18Å; Q191-L193 VanDerWaalsContact C-N 3.33Å; Q191-L193 PolarHBondContact O-N 3.38Å; L193-Q195 WeakPolarHBondContact CB-O 3.36Å; L193-I197 HydrophobicContact CD1-CG1 4.13Å; L193-R278 VanDerWaalsContact C-NH2 3.3Å; L193-R278 VanDerWaalsContact CB-NH2 3.3Å; L193-R278 PolarHBondContact O-NH1 3.3Å; L193-R278 PolarHBondContact O-NH2 2.6Å
194P83Confident84.1Confident55 Ų5533 Ų3336%0.35720%0.197SC..SBendtrans-72.9-32.4179.825.4-29.8000112.2L115 D117 R278L115-P194 WeakPolarHBondContact O-CD 3.49Å; D117-P194 HydrophobicContact CB-CG 3.93Å; P194-R278 PolarHBondContact O-NH1 2.85Å
195Q80.9Confident83.9Confident91 Ų9137.7 Ų37.743%0.42522%0.218SC..SBendtrans-121.2151.2172.6-59.3-163.34.400111.6L193 Y240 R278L193-Q195 WeakPolarHBondContact CB-O 3.36Å; Q195-Y240 HydrophobicContact CB-CE1 4Å; Q195-Y240 WeakPolarHBondContact CB-OH 3.34Å; Q195-R278 VanDerWaalsContact C-NH1 3.34Å; Q195-R278 PolarHBondContact O-NH2 3.07Å
196P83.6Confident83.6Confident20 Ų2037.7 Ų37.713%0.1322%0.218CC..  trans-61.1146170.325-31.1000110.5V198 F276 R278P196-V198 WeakPolarHBondContact CG-O 3.43Å; P196-V198 CarbonylContact O-C 3.45Å; P196-V198 PolarHBondContact O-N 2.95Å; P196-V198 VanDerWaalsContact O-N 3.09Å; P196-F276 WeakPolarHBondContact CB-O 2.94Å; P196-R278 HydrophobicContact CB-CB 4.25Å; P196-R278 HydrophobicContact CB-CG 3.97Å
197I84.5Confident83.3Confident4 Ų438.7 Ų38.72%0.02122%0.224CC..SBendtrans-52.2-36178.3-59.3162.3000111.3L190 L193 P199 L244 L247 F276L190-I197 HydrophobicContact CB-CD1 4.44Å; L190-I197 HydrophobicContact CD1-CD1 3.9Å; L190-I197 HydrophobicContact CD2-CD1 3.35Å; L190-I197 HydrophobicContact CD2-CG1 4.03Å; L190-I197 HydrophobicContact CG-CD1 4.08Å; L193-I197 HydrophobicContact CD1-CG1 4.13Å; I197-P199 WeakPolarHBondContact O-CD 3.46Å; I197-L244 HydrophobicContact CG2-CB 3.77Å; I197-L244 HydrophobicContact CG2-CD1 3.94Å; I197-L244 HydrophobicContact CG2-CG 4.37Å; I197-L247 HydrophobicContact CD1-CD1 3.44Å; I197-L247 VanDerWaalsContact CD1-CD1 3.44Å; I197-L247 HydrophobicContact CG1-CD1 4.5Å; I197-F276 HydrophobicContact CD1-CD1 3.74Å; I197-F276 HydrophobicContact CD1-CE1 3.71Å; I197-F276 HydrophobicContact CD1-CG 4.24Å; I197-F276 HydrophobicContact CD1-CZ 4.18Å
198V84.8Confident83Confident7 Ų741.7 Ų41.74%0.04224%0.241CC..SBendtrans-104.6105.2168.1-171.80000108.3P196 L202 H203 M206 L244 F276 F277P196-V198 WeakPolarHBondContact CG-O 3.43Å; P196-V198 CarbonylContact O-C 3.45Å; P196-V198 PolarHBondContact O-N 2.95Å; P196-V198 VanDerWaalsContact O-N 3.09Å; V198-L202 HydrophobicContact CG1-CB 4.45Å; V198-H203 PolarHBondContact O-NE2 2.91Å; V198-M206 HydrophobicContact CG1-SD 3.59Å; V198-M206 VanDerWaalsContact CG1-SD 3.59Å; V198-L244 HydrophobicContact CG2-CD1 4.45Å; V198-L244 HydrophobicContact CG2-CD2 4.15Å; V198-F276 PolarHBondContact N-O 3.09Å; V198-F277 HydrophobicContact CB-CD1 4.09Å; V198-F277 HydrophobicContact CB-CE1 3.85Å; V198-F277 HydrophobicContact CB-CZ 4.41Å; V198-F277 HydrophobicContact CG1-CD1 4.17Å; V198-F277 HydrophobicContact CG1-CE1 3.68Å; V198-F277 HydrophobicContact CG1-CZ 4.46Å; V198-F277 HydrophobicContact CG2-CE1 4.14Å; V198-F277 HydrophobicContact CG2-CZ 4.2Å
199P82.8Confident82.8Confident7 Ų739.8 Ų39.85%0.04524%0.236CC..  trans-61.9146179.6-29.639.7000113.3I197 A201 L202 H203 L236 Y240I197-P199 WeakPolarHBondContact O-CD 3.46Å; P199-A201 PolarHBondContact O-N 3.31Å; P199-L202 PolarHBondContact O-N 3.28Å; P199-H203 PolarHBondContact O-CD2 2.94Å; P199-H203 PolarHBondContact O-NE2 3.49Å; P199-L236 HydrophobicContact CB-CD1 4.33Å; P199-L236 HydrophobicContact CB-CD2 4.09Å; P199-L236 HydrophobicContact CG-CD1 3.65Å; P199-L236 HydrophobicContact CG-CD2 3.73Å; P199-L236 HydrophobicContact CG-CG 4.37Å; P199-Y240 HydrophobicContact CG-CD1 4.16Å; P199-Y240 HydrophobicContact CG-CE1 4.41Å
200A80.1Confident82.4Confident72 Ų7240.6 Ų40.660%0.59524%0.242SC*.Hα-helixtrans-54.7-30.2-177.200000114L202 H203A200-L202 PolarHBondContact O-N 3Å; A200-H203 WeakPolarHBondContact O-CB 3.4Å; A200-H203 PolarHBondContact O-N 3.24Å
201A79.6Confident81.8Confident79 Ų7946 Ų4665%0.65327%0.265SS*.Hα-helixtrans-60.1-26.4177.400000113.8P199P199-A201 PolarHBondContact O-N 3.31Å
202L81.4Confident80.9Confident6 Ų644.6 Ų44.63%0.03127%0.267CS..Hα-helixtrans-92.7-16.5-179.9-62.5-169.7000113.5V198 P199 A200 A204 Q205 M206 I230 L236V198-L202 HydrophobicContact CG1-CB 4.45Å; P199-L202 PolarHBondContact O-N 3.28Å; A200-L202 PolarHBondContact O-N 3Å; L202-A204 PolarHBondContact O-N 3.26Å; L202-Q205 PolarHBondContact O-N 3.08Å; L202-Q205 VanDerWaalsContact O-N 3.16Å; L202-M206 HydrophobicContact CB-CG 4.48Å; L202-M206 HydrophobicContact CB-SD 4.23Å; L202-M206 WeakPolarHBondContact O-CG 3.46Å; L202-M206 PolarHBondContact O-N 2.86Å; L202-I230 HydrophobicContact CB-CG2 4.46Å; L202-I230 HydrophobicContact CD2-CG2 4.16Å; L202-L236 HydrophobicContact CD1-CD1 3.3Å; L202-L236 HydrophobicContact CD1-CG 4.33Å; L202-L236 HydrophobicContact CG-CD1 3.94Å
203H83.8Confident79.5Confident27 Ų2748.4 Ų48.413%0.12529%0.294CS..Hα-helixtrans-58.1-46.3-171.7-67.1-173.8000112V198 P199 A200 Q205 M206 V207 F277 F291V198-H203 PolarHBondContact O-NE2 2.91Å; P199-H203 PolarHBondContact O-CD2 2.94Å; P199-H203 PolarHBondContact O-NE2 3.49Å; A200-H203 WeakPolarHBondContact O-CB 3.4Å; A200-H203 PolarHBondContact O-N 3.24Å; H203-Q205 VanDerWaalsContact C-N 3.34Å; H203-Q205 PolarHBondContact O-N 3.04Å; H203-M206 PolarHBondContact O-N 3.35Å; H203-V207 WeakPolarHBondContact O-CB 3.42Å; H203-V207 WeakPolarHBondContact O-CG2 3.47Å; H203-V207 PolarHBondContact O-N 3.3Å; H203-F277 AromaticContact CD2-CD1 3.59Å; H203-F277 AromaticContact CE1-CD1 3.79Å; H203-F277 PolarHBondContact CE1-O 3.26Å; H203-F277 VanDerWaalsContact CE1-O 3.32Å; H203-F277 AromaticContact NE2-CD1 3.44Å; H203-F277 WeakPolarHBondContact NE2-CD1 3.24Å; H203-F291 HydrophobicContact CB-CE1 4Å; H203-F291 HydrophobicContact CB-CZ 4.04Å
204A80.2Confident77.9Confident77 Ų7753.8 Ų53.864%0.63633%0.329SS*.Hα-helixtrans-62.6-39.9-179.800000112.6L202 H208L202-A204 PolarHBondContact O-N 3.26Å; A204-H208 WeakPolarHBondContact O-CB 3.4Å; A204-H208 PolarHBondContact O-N 3.16Å
205Q80.3Confident76.2Confident106 Ų10656.5 Ų56.550%0.49534%0.344SS..Hα-helixtrans-71-42.2-179.9-61.7-17943.100111.5L202 H203 H208 A209 I230L202-Q205 PolarHBondContact O-N 3.08Å; L202-Q205 VanDerWaalsContact O-N 3.16Å; H203-Q205 VanDerWaalsContact C-N 3.34Å; H203-Q205 PolarHBondContact O-N 3.04Å; Q205-H208 PolarHBondContact O-N 3.23Å; Q205-A209 PolarHBondContact O-N 3.22Å; Q205-I230 HydrophobicContact CB-CD1 4.34Å; Q205-I230 HydrophobicContact CB-CG2 4.07Å
206M80.7Confident74.4Confident1 Ų161.7 Ų61.71%0.00537%0.369CS..Hα-helixtrans-67.8-40.2177.4-64.1179.885.600111.8V198 L202 H203 H208 A209 V210 L227 I230 I294 L298V198-M206 HydrophobicContact CG1-SD 3.59Å; V198-M206 VanDerWaalsContact CG1-SD 3.59Å; L202-M206 HydrophobicContact CB-CG 4.48Å; L202-M206 HydrophobicContact CB-SD 4.23Å; L202-M206 WeakPolarHBondContact O-CG 3.46Å; L202-M206 PolarHBondContact O-N 2.86Å; H203-M206 PolarHBondContact O-N 3.35Å; M206-H208 VanDerWaalsContact C-N 3.35Å; M206-A209 WeakPolarHBondContact O-CB 3.33Å; M206-A209 PolarHBondContact O-N 3.47Å; M206-V210 PolarHBondContact O-N 2.98Å; M206-L227 HydrophobicContact CB-CD2 3.96Å; M206-L227 HydrophobicContact CE-CD2 4.12Å; M206-L227 HydrophobicContact CG-CD2 4.18Å; M206-I230 HydrophobicContact CG-CG2 3.78Å; M206-I294 HydrophobicContact CB-CD1 3.73Å; M206-I294 HydrophobicContact CB-CG1 4.48Å; M206-I294 HydrophobicContact CE-CG2 3.64Å; M206-L298 HydrophobicContact CE-CD1 4.38Å
207V82.8Confident72.6Confident21 Ų2164.7 Ų64.713%0.12740%0.396CS..Hα-helixtrans-65.1-39.9175.4169.90000111H203 V210 K211 A290 F291 I294H203-V207 WeakPolarHBondContact O-CB 3.42Å; H203-V207 WeakPolarHBondContact O-CG2 3.47Å; H203-V207 PolarHBondContact O-N 3.3Å; V207-V210 PolarHBondContact O-N 3.38Å; V207-K211 HydrophobicContact CG1-CD 3.68Å; V207-K211 HydrophobicContact CG1-CG 4.2Å; V207-K211 VanDerWaalsContact O-CB 3.32Å; V207-K211 WeakPolarHBondContact O-CB 3.48Å; V207-K211 WeakPolarHBondContact O-CG 3.46Å; V207-K211 PolarHBondContact O-N 3.08Å; V207-A290 HydrophobicContact CG1-CB 4.11Å; V207-A290 HydrophobicContact CG2-CB 4.24Å; V207-F291 HydrophobicContact CG2-CD1 4.17Å; V207-F291 HydrophobicContact CG2-CE1 3.56Å; V207-F291 HydrophobicContact CG2-CE2 4.23Å; V207-F291 HydrophobicContact CG2-CZ 3.6Å; V207-I294 HydrophobicContact CG2-CD1 4.17Å
208H81.4Confident70.9Confident140 Ų14067.5 Ų67.565%0.64842%0.419SS*.Hα-helixtrans-63-40.6174.6-175.5-86.3000112.1A204 Q205 M206 V210 K211 A212A204-H208 WeakPolarHBondContact O-CB 3.4Å; A204-H208 PolarHBondContact O-N 3.16Å; Q205-H208 PolarHBondContact O-N 3.23Å; M206-H208 VanDerWaalsContact C-N 3.35Å; H208-V210 VanDerWaalsContact C-N 3.27Å; H208-V210 PolarHBondContact O-N 3.1Å; H208-K211 PolarHBondContact O-N 3.43Å; H208-A212 PolarHBondContact O-N 2.9Å
209A80.7Confident69.7Low11 Ų1171.5 Ų71.59%0.09144%0.441CS..Hα-helixtrans-61.4-32.8177.600000113.4Q205 M206 L226 L227 I230Q205-A209 PolarHBondContact O-N 3.22Å; M206-A209 WeakPolarHBondContact O-CB 3.33Å; M206-A209 PolarHBondContact O-N 3.47Å; A209-L226 HydrophobicContact CB-CD2 3.73Å; A209-L226 HydrophobicContact CB-CG 4.18Å; A209-L227 HydrophobicContact CB-CD2 4.02Å; A209-I230 HydrophobicContact CB-CD1 4.12Å
210V79Confident68.9Low18 Ų1876.1 Ų76.111%0.10947%0.471CS..Hα-helixtrans-91-23179.7175.10000113.2M206 V207 H208 L227 K293 I294M206-V210 PolarHBondContact O-N 2.98Å; V207-V210 PolarHBondContact O-N 3.38Å; H208-V210 VanDerWaalsContact C-N 3.27Å; H208-V210 PolarHBondContact O-N 3.1Å; V210-L227 HydrophobicContact CG2-CD1 3.95Å; V210-L227 HydrophobicContact CG2-CD2 4.18Å; V210-K293 HydrophobicContact CG1-CB 3.99Å; V210-K293 HydrophobicContact CG1-CD 3.57Å; V210-K293 HydrophobicContact CG1-CG 3.68Å; V210-I294 HydrophobicContact CB-CG1 4.3Å; V210-I294 HydrophobicContact CG2-CG1 3.55Å
211K74.6Confident68.4Low112 Ų11277 Ų7749%0.48746%0.462SS..Hα-helixtrans-92.9-8.1178.1-71.4-172.8178.8-1780114.6V207 H208 P286V207-K211 HydrophobicContact CG1-CD 3.68Å; V207-K211 HydrophobicContact CG1-CG 4.2Å; V207-K211 VanDerWaalsContact O-CB 3.32Å; V207-K211 WeakPolarHBondContact O-CB 3.48Å; V207-K211 WeakPolarHBondContact O-CG 3.46Å; V207-K211 PolarHBondContact O-N 3.08Å; H208-K211 PolarHBondContact O-N 3.43Å; K211-P286 WeakPolarHBondContact CE-O 3.34Å; K211-P286 PolarHBondContact NZ-O 3.36Å
212A67.1Low68.2Low53 Ų5378.4 Ų78.444%0.43846%0.455SS..SBendtrans-56134.217800000110.7H208H208-A212 PolarHBondContact O-N 2.9Å
213P55.7Low68Low104 Ų10479.8 Ų79.868%0.67547%0.465SS*.  trans-63.1143.1-177.424.6-32.2000110.5T215P213-T215 VanDerWaalsContact C-N 3.31Å; P213-T215 PolarHBondContact O-N 3.13Å
214P50Low67.7Low119 Ų11978.7 Ų78.777%0.77346%0.46SS*.  trans-70.289.7175.828.7-31.6000108.8
215T45.7Very low67.8Low111 Ų11180.2 Ų80.268%0.68145%0.454SS*.  trans-62.4133.2154.7310000107.5P213 A217 A218P213-T215 VanDerWaalsContact C-N 3.31Å; P213-T215 PolarHBondContact O-N 3.13Å; T215-A217 PolarHBondContact O-N 3.41Å; T215-A218 PolarHBondContact O-N 3.43Å; T215-A218 VanDerWaalsContact O-N 3.11Å
216E44.4Very low67.8Low200 Ų20077.9 Ų77.994%0.93545%0.445SS*.THydrogen-bonded Turntrans-44.2114.2-179.1-64.5178.5162.600109.7
217A44.4Very low67.9Low84 Ų8477.9 Ų77.969%0.69445%0.445SS*.THydrogen-bonded Turntrans95.324.5-173.900000119.6T215 N219T215-A217 PolarHBondContact O-N 3.41Å; A217-N219 PolarHBondContact O-N 2.99Å; A217-N219 VanDerWaalsContact O-N 3.07Å
218A48.5Very low67.9Low63 Ų6378.8 Ų78.852%0.52145%0.446SS..  trans-73.994.1163.600000111.3T215T215-A218 PolarHBondContact O-N 3.43Å; T215-A218 VanDerWaalsContact O-N 3.11Å
219N61.5Low68Low91 Ų9180.3 Ų80.349%0.48745%0.446SS..  trans-64.2137.2174.5-75.6-32.3000110.3A217 E221 E222 C223A217-N219 PolarHBondContact O-N 2.99Å; A217-N219 VanDerWaalsContact O-N 3.07Å; N219-E221 HydrophobicContact CB-CB 4.35Å; N219-E221 PolarHBondContact O-N 3.21Å; N219-E222 HydrophobicContact CB-CG 4.22Å; N219-E222 PolarHBondContact O-N 3.41Å; N219-C223 PolarHBondContact O-N 3.03Å
220P64.8Low68.1Low104 Ų10480.7 Ų80.768%0.67545%0.446SS*.Hα-helixtrans-56.8-2417420.9-30.7000112.7T224P220-T224 PolarHBondContact O-N 3.31Å; P220-T224 VanDerWaalsContact O-N 3.11Å; P220-T224 PolarHBondContact O-OG1 2.92Å
221E70.4Confident68Low90 Ų9080.2 Ų80.242%0.42144%0.444SS..Hα-helixtrans-65.4-39.2173.4-162.860.1-148.500113N219 T224 Q225N219-E221 HydrophobicContact CB-CB 4.35Å; N219-E221 PolarHBondContact O-N 3.21Å; E221-T224 WeakPolarHBondContact O-CB 3.33Å; E221-T224 PolarHBondContact O-N 3.47Å; E221-Q225 VanDerWaalsContact O-CG 3.28Å; E221-Q225 WeakPolarHBondContact O-CG 3.37Å; E221-Q225 PolarHBondContact O-N 3.08Å
222E74.2Confident68.2Low108 Ų10877.9 Ų77.951%0.50544%0.442SS..Hα-helixtrans-71.9-38.4179.1-70.4174.9-170.100111.8N219 T224 Q225 L226N219-E222 HydrophobicContact CB-CG 4.22Å; N219-E222 PolarHBondContact O-N 3.41Å; E222-T224 VanDerWaalsContact C-N 3.32Å; E222-Q225 PolarHBondContact O-N 3.08Å; E222-L226 WeakPolarHBondContact O-CB 3.23Å; E222-L226 PolarHBondContact O-N 2.86Å
223C77Confident68.7Low35 Ų3577.4 Ų77.424%0.23644%0.435CS..Hα-helixtrans-61.7-43.2173.2-173.30000110.7N219 L226 L227N219-C223 PolarHBondContact O-N 3.03Å; C223-L226 PolarHBondContact O-N 2.87Å; C223-L227 WeakPolarHBondContact O-CG 3.5Å; C223-L227 PolarHBondContact O-N 2.9Å
224T79.4Confident69.1Low5 Ų577.6 Ų77.63%0.03145%0.446CS..Hα-helixtrans-61.4-49.2175.6-59.50000111.8P220 E221 E222 L226 L227 R228 V297 S301P220-T224 PolarHBondContact O-N 3.31Å; P220-T224 VanDerWaalsContact O-N 3.11Å; P220-T224 PolarHBondContact O-OG1 2.92Å; E221-T224 WeakPolarHBondContact O-CB 3.33Å; E221-T224 PolarHBondContact O-N 3.47Å; E222-T224 VanDerWaalsContact C-N 3.32Å; T224-L226 VanDerWaalsContact C-N 3.28Å; T224-L226 PolarHBondContact O-N 3.22Å; T224-L227 PolarHBondContact O-N 3.18Å; T224-R228 WeakPolarHBondContact O-CG 3.38Å; T224-R228 PolarHBondContact O-N 2.47Å; T224-V297 WeakPolarHBondContact OG1-CG1 3.49Å; T224-S301 VanDerWaalsContact CG2-OG 3.24Å; T224-S301 WeakPolarHBondContact CG2-OG 3.42Å
225Q80.5Confident69.9Low109 Ų10977 Ų7751%0.50944%0.44SS..Hα-helixtrans-61.8-37.7179-72.7173.819.600111.7E221 E222 R229E221-Q225 VanDerWaalsContact O-CG 3.28Å; E221-Q225 WeakPolarHBondContact O-CG 3.37Å; E221-Q225 PolarHBondContact O-N 3.08Å; E222-Q225 PolarHBondContact O-N 3.08Å; Q225-R229 WeakPolarHBondContact O-CB 3.47Å; Q225-R229 PolarHBondContact O-N 3.39Å
226L81.1Confident71.4Confident57 Ų5773.3 Ų73.330%0.29842%0.416SS..Hα-helixtrans-64.5-44.9174.3-176.862000111.7A209 E222 C223 T224 R229 I230A209-L226 HydrophobicContact CB-CD2 3.73Å; A209-L226 HydrophobicContact CB-CG 4.18Å; E222-L226 WeakPolarHBondContact O-CB 3.23Å; E222-L226 PolarHBondContact O-N 2.86Å; C223-L226 PolarHBondContact O-N 2.87Å; T224-L226 VanDerWaalsContact C-N 3.28Å; T224-L226 PolarHBondContact O-N 3.22Å; L226-R229 PolarHBondContact O-N 2.96Å; L226-I230 HydrophobicContact CD1-CD1 4.25Å; L226-I230 HydrophobicContact CD1-CG1 4.5Å; L226-I230 HydrophobicContact CG-CD1 3.98Å; L226-I230 VanDerWaalsContact O-CG1 3.25Å; L226-I230 WeakPolarHBondContact O-CG1 3.44Å; L226-I230 PolarHBondContact O-N 2.62Å
227L82.7Confident73.2Confident0 Ų066.2 Ų66.20%039%0.388CS..Hα-helixtrans-62.3-43.4176.7-72.9172.5000112.1M206 A209 V210 C223 T224 I230 A231 I294 V297 L298M206-L227 HydrophobicContact CB-CD2 3.96Å; M206-L227 HydrophobicContact CE-CD2 4.12Å; M206-L227 HydrophobicContact CG-CD2 4.18Å; A209-L227 HydrophobicContact CB-CD2 4.02Å; V210-L227 HydrophobicContact CG2-CD1 3.95Å; V210-L227 HydrophobicContact CG2-CD2 4.18Å; C223-L227 WeakPolarHBondContact O-CG 3.5Å; C223-L227 PolarHBondContact O-N 2.9Å; T224-L227 PolarHBondContact O-N 3.18Å; L227-I230 PolarHBondContact O-N 2.81Å; L227-A231 WeakPolarHBondContact O-CB 3.36Å; L227-A231 PolarHBondContact O-N 3.46Å; L227-I294 HydrophobicContact CD2-CG1 4.38Å; L227-I294 HydrophobicContact CD2-CG2 4.49Å; L227-V297 HydrophobicContact CD1-CB 4.44Å; L227-V297 HydrophobicContact CD1-CG1 4.07Å; L227-L298 HydrophobicContact CB-CD2 4.01Å; L227-L298 HydrophobicContact CD1-CG 4.42Å
228R83.4Confident75.1Confident40 Ų4065.3 Ų65.315%0.15138%0.375CS..Hα-helixtrans-61-44174.6-70.9-175176172.8-7.6111.5T224 I230 A231 S232 W241 L298 E302 E305T224-R228 WeakPolarHBondContact O-CG 3.38Å; T224-R228 PolarHBondContact O-N 2.47Å; R228-I230 PolarHBondContact O-N 2.77Å; R228-A231 PolarHBondContact O-N 2.74Å; R228-S232 VanDerWaalsContact O-CB 3.31Å; R228-S232 WeakPolarHBondContact O-CB 3.01Å; R228-S232 PolarHBondContact O-N 3.37Å; R228-S232 PolarHBondContact O-OG 2.69Å; R228-S232 VanDerWaalsContact O-OG 3.08Å; R228-W241 HydrophobicContact CB-CH2 4.22Å; R228-W241 HydrophobicContact CB-CZ2 4.47Å; R228-W241 HydrophobicContact CG-CH2 3.88Å; R228-W241 HydrophobicContact CG-CZ2 4.34Å; R228-L298 HydrophobicContact CG-CD2 4.32Å; R228-E302 IonicContact CZ-OE1 3.85Å; R228-E302 IonicContact NE-OE1 3.67Å; R228-E302 IonicContact NH2-OE1 3.86Å; R228-E302 PolarHBondContact NH2-OE1 3.35Å; R228-E305 IonicContact CZ-OE1 3.08Å; R228-E305 IonicContact CZ-OE2 3.24Å; R228-E305 VanDerWaalsContact CZ-OE2 3.29Å; R228-E305 VanDerWaalsContact NH1-CD 3.27Å; R228-E305 IonicContact NH1-OE1 3.82Å; R228-E305 PolarHBondContact NH1-OE1 2.92Å; R228-E305 IonicContact NH1-OE2 2.84Å; R228-E305 PolarHBondContact NH1-OE2 2.95Å; R228-E305 IonicContact NH2-OE1 3.98Å; R228-E305 IonicContact NH2-OE2 3.89Å; R228-E305 PolarHBondContact NH2-OE2 3.1Å
229R83Confident76.9Confident173 Ų17363.4 Ų63.465%0.65336%0.355SS*.Hα-helixtrans-64.5-38.3178.3-174.3173.466.1177.90113Q225 L226 S233Q225-R229 WeakPolarHBondContact O-CB 3.47Å; Q225-R229 PolarHBondContact O-N 3.39Å; L226-R229 PolarHBondContact O-N 2.96Å; R229-S233 PolarHBondContact O-N 3.07Å
230I81.9Confident78.1Confident18 Ų1859.4 Ų59.49%0.09233%0.333CS..Hα-helixtrans-66.6-44.4175.3-67.5164.1000109.9L202 Q205 M206 A209 L226 L227 R228 S233L202-I230 HydrophobicContact CB-CG2 4.46Å; L202-I230 HydrophobicContact CD2-CG2 4.16Å; Q205-I230 HydrophobicContact CB-CD1 4.34Å; Q205-I230 HydrophobicContact CB-CG2 4.07Å; M206-I230 HydrophobicContact CG-CG2 3.78Å; A209-I230 HydrophobicContact CB-CD1 4.12Å; L226-I230 HydrophobicContact CD1-CD1 4.25Å; L226-I230 HydrophobicContact CD1-CG1 4.5Å; L226-I230 HydrophobicContact CG-CD1 3.98Å; L226-I230 VanDerWaalsContact O-CG1 3.25Å; L226-I230 WeakPolarHBondContact O-CG1 3.44Å; L226-I230 PolarHBondContact O-N 2.62Å; L227-I230 PolarHBondContact O-N 2.81Å; R228-I230 PolarHBondContact O-N 2.77Å; I230-S233 VanDerWaalsContact O-CB 3.23Å; I230-S233 WeakPolarHBondContact O-CB 3.43Å; I230-S233 PolarHBondContact O-N 3.33Å
231A78Confident79.2Confident8 Ų856.5 Ų56.57%0.06631%0.309CS..Hα-helixtrans-71.5-29-179.400000113.3L227 R228 S233 W241L227-A231 WeakPolarHBondContact O-CB 3.36Å; L227-A231 PolarHBondContact O-N 3.46Å; R228-A231 PolarHBondContact O-N 2.74Å; A231-S233 VanDerWaalsContact C-N 3.34Å; A231-W241 HydrophobicContact CB-CD2 4.36Å; A231-W241 HydrophobicContact CB-CE3 3.35Å; A231-W241 HydrophobicContact CB-CZ3 3.47Å; A231-W241 VanDerWaalsContact CB-CZ3 3.47Å
232S78.4Confident80Confident64 Ų6453.6 Ų53.645%0.44830%0.296SS..THydrogen-bonded Turntrans-92.616.2174.577.40000113.6R228R228-S232 VanDerWaalsContact O-CB 3.31Å; R228-S232 WeakPolarHBondContact O-CB 3.01Å; R228-S232 PolarHBondContact O-N 3.37Å; R228-S232 PolarHBondContact O-OG 2.69Å; R228-S232 VanDerWaalsContact O-OG 3.08Å
233S77Confident80.7Confident42 Ų4248.5 Ų48.529%0.29427%0.272SS..  trans-62.4142.7-179.4174.40000111.3R229 I230 A231 T235 L236R229-S233 PolarHBondContact O-N 3.07Å; I230-S233 VanDerWaalsContact O-CB 3.23Å; I230-S233 WeakPolarHBondContact O-CB 3.43Å; I230-S233 PolarHBondContact O-N 3.33Å; A231-S233 VanDerWaalsContact C-N 3.34Å; S233-T235 WeakPolarHBondContact CB-OG1 3.17Å; S233-T235 PolarHBondContact O-N 2.96Å; S233-T235 PolarHBondContact OG-N 3.4Å; S233-T235 PolarHBondContact OG-OG1 2.94Å; S233-L236 PolarHBondContact O-N 3.45Å; S233-L236 VanDerWaalsContact O-N 3.15Å
234A64.6Low81.3Confident109 Ų10947.1 Ų47.190%0.90126%0.262SS*.THydrogen-bonded Turntrans-61-6.817800000114.4L236A234-L236 VanDerWaalsContact C-N 3.31Å
235T67.8Low81.7Confident105 Ų10549.4 Ų49.464%0.64427%0.273SS*.THydrogen-bonded Turntrans-74.5-17.5176500000113.7S233S233-T235 WeakPolarHBondContact CB-OG1 3.17Å; S233-T235 PolarHBondContact O-N 2.96Å; S233-T235 PolarHBondContact OG-N 3.4Å; S233-T235 PolarHBondContact OG-OG1 2.94Å
236L75.6Confident82.1Confident35 Ų3545.2 Ų45.218%0.18326%0.255CS..SBendtrans-118.1147.5178.9-68.4-178.4000111.8P199 L202 S233 A234P199-L236 HydrophobicContact CB-CD1 4.33Å; P199-L236 HydrophobicContact CB-CD2 4.09Å; P199-L236 HydrophobicContact CG-CD1 3.65Å; P199-L236 HydrophobicContact CG-CD2 3.73Å; P199-L236 HydrophobicContact CG-CG 4.37Å; L202-L236 HydrophobicContact CD1-CD1 3.3Å; L202-L236 HydrophobicContact CD1-CG 4.33Å; L202-L236 HydrophobicContact CG-CD1 3.94Å; S233-L236 PolarHBondContact O-N 3.45Å; S233-L236 VanDerWaalsContact O-N 3.15Å; A234-L236 VanDerWaalsContact C-N 3.31Å
237P84.1Confident82.5Confident51 Ų5142.5 Ų42.533%0.33124%0.241SC..  trans-58139.3170.2-20.731.8000111.2T119 Q239 Y240T119-P237 HydrophobicContact CG2-CB 3.35Å; T119-P237 HydrophobicContact CG2-CG 3.54Å; P237-Q239 VanDerWaalsContact CB-OE1 3.22Å; P237-Q239 PolarHBondContact O-N 3.36Å; P237-Y240 HydrophobicContact CB-CD2 4.2Å; P237-Y240 HydrophobicContact CG-CD2 4.27Å; P237-Y240 HydrophobicContact CG-CE2 4.35Å; P237-Y240 PolarHBondContact O-N 3.46Å
238P83.3Confident82.9Confident65 Ų6542.6 Ų42.642%0.42224%0.241SC..Hα-helixtrans-59.3-23.6-176.123.4-34.1000113.5L124 Y240 W241 L242L124-P238 HydrophobicContact CD1-CG 4.37Å; P238-Y240 VanDerWaalsContact C-N 3.26Å; P238-Y240 PolarHBondContact O-N 3.49Å; P238-W241 PolarHBondContact O-N 2.64Å; P238-L242 HydrophobicContact CB-CD1 4.4Å; P238-L242 WeakPolarHBondContact O-CB 3.22Å; P238-L242 VanDerWaalsContact O-CG 3.25Å; P238-L242 WeakPolarHBondContact O-CG 3.47Å; P238-L242 PolarHBondContact O-N 2.73Å
239Q87.1Confident83.1Confident23 Ų2345.2 Ų45.211%0.10725%0.251CS..Hα-helixtrans-58.4-35.1179.3-66.885.5-10.900112.9L118 F122 P237 T243L118-Q239 HydrophobicContact CB-CB 4.18Å; F122-Q239 HydrophobicContact CD1-CB 4.45Å; F122-Q239 HydrophobicContact CD1-CG 4.3Å; F122-Q239 HydrophobicContact CD2-CG 4.46Å; F122-Q239 HydrophobicContact CE1-CB 3.63Å; F122-Q239 HydrophobicContact CE1-CG 3.9Å; F122-Q239 HydrophobicContact CE2-CB 4.31Å; F122-Q239 HydrophobicContact CE2-CG 4.07Å; F122-Q239 VanDerWaalsContact CZ-CA 3.48Å; F122-Q239 HydrophobicContact CZ-CB 3.56Å; F122-Q239 HydrophobicContact CZ-CG 3.8Å; F122-Q239 WeakPolarHBondContact CZ-O 3.44Å; P237-Q239 VanDerWaalsContact CB-OE1 3.22Å; P237-Q239 PolarHBondContact O-N 3.36Å; Q239-T243 VanDerWaalsContact O-CB 3.3Å; Q239-T243 WeakPolarHBondContact O-CB 3.06Å; Q239-T243 PolarHBondContact O-N 3.32Å; Q239-T243 PolarHBondContact O-OG1 2.85Å
240Y86.1Confident83.4Confident7 Ų737.1 Ų37.13%0.02722%0.221CC..Hα-helixtrans-67.9-46.8178.6-78.7-96.1000111.9D117 L118 T119 Q195 P199 P237 P238 L244D117-Y240 PolarHBondContact OD1-OH 3.35Å; D117-Y240 PolarHBondContact OD2-OH 3.24Å; L118-Y240 HydrophobicContact CB-CD2 4.43Å; L118-Y240 HydrophobicContact CB-CE2 4.17Å; L118-Y240 HydrophobicContact CD1-CD1 3.79Å; L118-Y240 HydrophobicContact CD1-CE1 3.93Å; L118-Y240 HydrophobicContact CD1-CG 4.1Å; T119-Y240 HydrophobicContact CG2-CE2 4.32Å; Q195-Y240 HydrophobicContact CB-CE1 4Å; Q195-Y240 WeakPolarHBondContact CB-OH 3.34Å; P199-Y240 HydrophobicContact CG-CD1 4.16Å; P199-Y240 HydrophobicContact CG-CE1 4.41Å; P237-Y240 HydrophobicContact CB-CD2 4.2Å; P237-Y240 HydrophobicContact CG-CD2 4.27Å; P237-Y240 HydrophobicContact CG-CE2 4.35Å; P237-Y240 PolarHBondContact O-N 3.46Å; P238-Y240 VanDerWaalsContact C-N 3.26Å; P238-Y240 PolarHBondContact O-N 3.49Å; Y240-L244 WeakPolarHBondContact O-CB 3.48Å; Y240-L244 PolarHBondContact O-N 3.49Å
241W87.2Confident83.8Confident42 Ų4236.2 Ų36.216%0.15922%0.216CC..Hα-helixtrans-66.1-42.7177.3169.9-114000112.1R228 A231 P238 T243 L244 Q245R228-W241 HydrophobicContact CB-CH2 4.22Å; R228-W241 HydrophobicContact CB-CZ2 4.47Å; R228-W241 HydrophobicContact CG-CH2 3.88Å; R228-W241 HydrophobicContact CG-CZ2 4.34Å; A231-W241 HydrophobicContact CB-CD2 4.36Å; A231-W241 HydrophobicContact CB-CE3 3.35Å; A231-W241 HydrophobicContact CB-CZ3 3.47Å; A231-W241 VanDerWaalsContact CB-CZ3 3.47Å; P238-W241 PolarHBondContact O-N 2.64Å; W241-T243 PolarHBondContact O-N 3.39Å; W241-L244 HydrophobicContact CE3-CD2 4.04Å; W241-L244 HydrophobicContact CZ3-CD2 3.99Å; W241-L244 WeakPolarHBondContact O-CB 3.45Å; W241-L244 PolarHBondContact O-N 2.96Å; W241-Q245 WeakPolarHBondContact O-CB 2.98Å; W241-Q245 PolarHBondContact O-N 2.96Å
242L87.3Confident84.2Confident30 Ų3035.9 Ų35.916%0.15721%0.214CC..Hα-helixtrans-63.7-41.7179.2-72.5172.3000112.1F122 L124 T127 P238 Q245 C246F122-L242 HydrophobicContact CE2-CB 4.32Å; F122-L242 HydrophobicContact CE2-CD1 4.29Å; F122-L242 HydrophobicContact CZ-CB 4.25Å; L124-L242 HydrophobicContact CD2-CD1 3.74Å; T127-L242 CarbonylContact O-C 3.54Å; T127-L242 WeakPolarHBondContact O-CB 3.22Å; P238-L242 HydrophobicContact CB-CD1 4.4Å; P238-L242 WeakPolarHBondContact O-CB 3.22Å; P238-L242 VanDerWaalsContact O-CG 3.25Å; P238-L242 WeakPolarHBondContact O-CG 3.47Å; P238-L242 PolarHBondContact O-N 2.73Å; L242-Q245 PolarHBondContact O-N 3.19Å; L242-C246 PolarHBondContact O-N 3.08Å
243T89.1Confident84.6Confident0 Ų038 Ų380%021%0.212CC..Hα-helixtrans-63.4-43.8174-56.70000111.4L118 F122 L132 Q239 W241 Q245 C246 L247L118-T243 HydrophobicContact CD1-CG2 4.2Å; L118-T243 HydrophobicContact CD2-CG2 4.15Å; F122-T243 WeakPolarHBondContact CE1-OG1 3.45Å; L132-T243 HydrophobicContact CD2-CG2 3.53Å; Q239-T243 VanDerWaalsContact O-CB 3.3Å; Q239-T243 WeakPolarHBondContact O-CB 3.06Å; Q239-T243 PolarHBondContact O-N 3.32Å; Q239-T243 PolarHBondContact O-OG1 2.85Å; W241-T243 PolarHBondContact O-N 3.39Å; T243-Q245 PolarHBondContact O-N 3.38Å; T243-C246 WeakPolarHBondContact O-CB 2.97Å; T243-C246 PolarHBondContact O-N 2.98Å; T243-L247 HydrophobicContact CG2-CD1 4.39Å; T243-L247 WeakPolarHBondContact O-CG 3.23Å; T243-L247 PolarHBondContact O-N 3.34Å; T243-L247 VanDerWaalsContact O-N 3.13Å
244L89.1Confident85Confident6 Ų636 Ų363%0.03120%0.198CC..Hα-helixtrans-60.5-44.4174.4-178.161.1000111.5I197 V198 Y240 W241 C246 L247 L248 F276I197-L244 HydrophobicContact CG2-CB 3.77Å; I197-L244 HydrophobicContact CG2-CD1 3.94Å; I197-L244 HydrophobicContact CG2-CG 4.37Å; V198-L244 HydrophobicContact CG2-CD1 4.45Å; V198-L244 HydrophobicContact CG2-CD2 4.15Å; Y240-L244 WeakPolarHBondContact O-CB 3.48Å; Y240-L244 PolarHBondContact O-N 3.49Å; W241-L244 HydrophobicContact CE3-CD2 4.04Å; W241-L244 HydrophobicContact CZ3-CD2 3.99Å; W241-L244 WeakPolarHBondContact O-CB 3.45Å; W241-L244 PolarHBondContact O-N 2.96Å; L244-C246 VanDerWaalsContact C-N 3.32Å; L244-C246 PolarHBondContact O-N 3.35Å; L244-L247 PolarHBondContact O-N 3.48Å; L244-L248 HydrophobicContact CD1-CD1 4.35Å; L244-L248 HydrophobicContact CD1-CG 4.26Å; L244-L248 HydrophobicContact CG-CD1 3.96Å; L244-L248 HydrophobicContact CG-CG 4.33Å; L244-L248 VanDerWaalsContact O-CG 3.25Å; L244-L248 WeakPolarHBondContact O-CG 3.36Å; L244-L248 PolarHBondContact O-N 3.35Å; L244-F276 HydrophobicContact CD1-CD2 3.92Å; L244-F276 HydrophobicContact CD1-CE2 3.62Å
245Q88.2Confident86Confident53 Ų5331.5 Ų31.525%0.24816%0.159CC..Hα-helixtrans-62.5-38.3178.1-169-178.313.600112.1W241 L242 T243 L248 R249W241-Q245 WeakPolarHBondContact O-CB 2.98Å; W241-Q245 PolarHBondContact O-N 2.96Å; L242-Q245 PolarHBondContact O-N 3.19Å; T243-Q245 PolarHBondContact O-N 3.38Å; Q245-L248 PolarHBondContact O-N 2.77Å; Q245-R249 WeakPolarHBondContact O-CB 3.41Å; Q245-R249 PolarHBondContact O-N 3.13Å
246C88.8Confident86.8Confident22 Ų2230.4 Ų30.415%0.14915%0.147CC..Hα-helixtrans-60.8-46.9174.6-173.60000111.7A128 L242 T243 L244 R249 H250A128-C246 HydrophobicContact CB-CB 3.8Å; L242-C246 PolarHBondContact O-N 3.08Å; T243-C246 WeakPolarHBondContact O-CB 2.97Å; T243-C246 PolarHBondContact O-N 2.98Å; L244-C246 VanDerWaalsContact C-N 3.32Å; L244-C246 PolarHBondContact O-N 3.35Å; C246-R249 PolarHBondContact O-N 3.48Å; C246-H250 PolarHBondContact O-N 3.33Å
247L90.4Very high87.1Confident0 Ų031 Ų310%015%0.15CC..Hα-helixtrans-64.9-42.7177.5-70.6162.6000112.7L132 L136 L186 L190 I197 T243 L244 R249 H250 F251 F276L132-L247 HydrophobicContact CD1-CD2 4.25Å; L132-L247 HydrophobicContact CD2-CD2 4.49Å; L132-L247 HydrophobicContact CD2-CG 4.41Å; L136-L247 HydrophobicContact CD1-CD2 4.06Å; L136-L247 HydrophobicContact CD2-CD2 4.08Å; L186-L247 HydrophobicContact CD1-CD2 4.13Å; L190-L247 HydrophobicContact CD1-CD1 4.37Å; L190-L247 HydrophobicContact CD1-CD2 4.42Å; L190-L247 HydrophobicContact CD2-CD1 4.09Å; I197-L247 HydrophobicContact CD1-CD1 3.44Å; I197-L247 VanDerWaalsContact CD1-CD1 3.44Å; I197-L247 HydrophobicContact CG1-CD1 4.5Å; T243-L247 HydrophobicContact CG2-CD1 4.39Å; T243-L247 WeakPolarHBondContact O-CG 3.23Å; T243-L247 PolarHBondContact O-N 3.34Å; T243-L247 VanDerWaalsContact O-N 3.13Å; L244-L247 PolarHBondContact O-N 3.48Å; L247-R249 VanDerWaalsContact C-N 3.3Å; L247-R249 PolarHBondContact O-N 2.72Å; L247-H250 WeakPolarHBondContact O-CB 3.41Å; L247-H250 PolarHBondContact O-N 3.15Å; L247-F251 WeakPolarHBondContact O-CG 3.18Å; L247-F251 PolarHBondContact O-N 3.32Å; L247-F276 HydrophobicContact CB-CZ 4.08Å; L247-F276 HydrophobicContact CD1-CE1 4.22Å; L247-F276 HydrophobicContact CD1-CZ 3.86Å; L247-F276 HydrophobicContact CG-CZ 4.47Å
248L89.7Confident86.9Confident1 Ų130.3 Ų30.31%0.00515%0.149CC..Hα-helixtrans-62.6-38.1177.3-69.1171.2000111.6L244 Q245 F251 S252 L298 V299 E302L244-L248 HydrophobicContact CD1-CD1 4.35Å; L244-L248 HydrophobicContact CD1-CG 4.26Å; L244-L248 HydrophobicContact CG-CD1 3.96Å; L244-L248 HydrophobicContact CG-CG 4.33Å; L244-L248 VanDerWaalsContact O-CG 3.25Å; L244-L248 WeakPolarHBondContact O-CG 3.36Å; L244-L248 PolarHBondContact O-N 3.35Å; Q245-L248 PolarHBondContact O-N 2.77Å; L248-F251 PolarHBondContact O-N 3.41Å; L248-S252 WeakPolarHBondContact O-CB 3.18Å; L248-S252 PolarHBondContact O-N 2.76Å; L248-L298 HydrophobicContact CD1-CB 3.94Å; L248-L298 HydrophobicContact CD1-CD1 4.32Å; L248-L298 HydrophobicContact CD2-CB 3.8Å; L248-V299 HydrophobicContact CD2-CG2 3.69Å; L248-E302 HydrophobicContact CB-CG 3.94Å
249R88.3Confident86.6Confident95 Ų9532.9 Ų32.936%0.35817%0.166SC..Hα-helixtrans-65.4-42.5174.6-172179.6-62.5141.95.5112.1Q245 C246 L247 S252 R253Q245-R249 WeakPolarHBondContact O-CB 3.41Å; Q245-R249 PolarHBondContact O-N 3.13Å; C246-R249 PolarHBondContact O-N 3.48Å; L247-R249 VanDerWaalsContact C-N 3.3Å; L247-R249 PolarHBondContact O-N 2.72Å; R249-S252 PolarHBondContact O-N 3.06Å; R249-R253 WeakPolarHBondContact O-CG 2.95Å; R249-R253 PolarHBondContact O-N 3.13Å; R249-R253 VanDerWaalsContact O-N 3.1Å
250H89.5Confident86.1Confident3 Ų337.3 Ų37.31%0.01419%0.185CC..Hα-helixtrans-59.3-50.3173.8171.373.2000111.3L136 E140 Y150 C246 L247 S252 R253 V254L136-H250 HydrophobicContact CD1-CB 4.18Å; L136-H250 HydrophobicContact CD2-CB 4.19Å; E140-H250 VanDerWaalsContact CG-ND1 3.28Å; E140-H250 WeakPolarHBondContact CG-ND1 3.36Å; E140-H250 WeakPolarHBondContact OE1-CA 3.46Å; E140-H250 IonicContact OE1-CE1 2.81Å; E140-H250 IonicContact OE1-CG 2.71Å; E140-H250 IonicContact OE1-ND1 2.51Å; E140-H250 PolarHBondContact OE1-ND1 3Å; Y150-H250 AromaticContact CE2-NE2 3.7Å; Y150-H250 AromaticContact CZ-NE2 3.62Å; Y150-H250 PolarHBondContact OH-NE2 2.75Å; C246-H250 PolarHBondContact O-N 3.33Å; L247-H250 WeakPolarHBondContact O-CB 3.41Å; L247-H250 PolarHBondContact O-N 3.15Å; H250-S252 VanDerWaalsContact C-N 3.31Å; H250-S252 PolarHBondContact O-N 2.87Å; H250-R253 WeakPolarHBondContact O-CB 3.23Å; H250-R253 PolarHBondContact O-N 2.97Å; H250-R253 VanDerWaalsContact O-N 3.1Å; H250-V254 WeakPolarHBondContact O-CG2 3.17Å; H250-V254 PolarHBondContact O-N 2.86Å
251F89.5Confident85.8Confident0 Ų037 Ų370%018%0.183CC..Hα-helixtrans-61.6-37.1177.7-68.2-22.2000113Y150 L247 L248 V254 C255 L268 F272 F276 V299Y150-F251 HydrophobicContact CE2-CE1 4.38Å; L247-F251 WeakPolarHBondContact O-CG 3.18Å; L247-F251 PolarHBondContact O-N 3.32Å; L248-F251 PolarHBondContact O-N 3.41Å; F251-V254 PolarHBondContact O-N 3.21Å; F251-C255 WeakPolarHBondContact O-CB 3.4Å; F251-C255 PolarHBondContact O-N 3.22Å; F251-C255 PolarHBondContact O-SG 3.42Å; F251-L268 HydrophobicContact CB-CD1 3.67Å; F251-L268 HydrophobicContact CD1-CD1 3.99Å; F251-L268 HydrophobicContact CD1-CD2 4.34Å; F251-L268 HydrophobicContact CG-CD1 3.91Å; F251-F272 AromaticContact CE1-CD2 3.85Å; F251-F272 HydrophobicContact CE1-CD2 3.85Å; F251-F272 AromaticContact CE1-CE2 3.54Å; F251-F272 HydrophobicContact CE1-CE2 3.54Å; F251-F272 HydrophobicContact CE1-CG 4.46Å; F251-F272 AromaticContact CE1-CZ 3.92Å; F251-F272 HydrophobicContact CE1-CZ 3.92Å; F251-F272 HydrophobicContact CE2-CB 4.31Å; F251-F272 HydrophobicContact CE2-CD2 4.02Å; F251-F272 HydrophobicContact CE2-CG 4.09Å; F251-F272 HydrophobicContact CZ-CB 4.29Å; F251-F272 AromaticContact CZ-CD1 3.91Å; F251-F272 HydrophobicContact CZ-CD1 3.91Å; F251-F272 AromaticContact CZ-CD2 3.36Å; F251-F272 HydrophobicContact CZ-CD2 3.36Å; F251-F272 HydrophobicContact CZ-CE1 4.03Å; F251-F272 AromaticContact CZ-CE2 3.5Å; F251-F272 HydrophobicContact CZ-CE2 3.5Å; F251-F272 VanDerWaalsContact CZ-CE2 3.5Å; F251-F272 AromaticContact CZ-CG 3.58Å; F251-F272 HydrophobicContact CZ-CG 3.58Å; F251-F272 AromaticContact CZ-CZ 3.83Å; F251-F272 HydrophobicContact CZ-CZ 3.83Å; F251-F276 HydrophobicContact CE2-CE1 4.23Å; F251-F276 HydrophobicContact CE2-CE2 4.2Å; F251-F276 AromaticContact CE2-CZ 3.54Å; F251-F276 HydrophobicContact CE2-CZ 3.54Å; F251-F276 HydrophobicContact CZ-CE1 4.48Å; F251-F276 HydrophobicContact CZ-CZ 4.14Å; F251-V299 HydrophobicContact CB-CG1 4.24Å; F251-V299 HydrophobicContact CB-CG2 3.92Å; F251-V299 HydrophobicContact CD2-CG2 4.34Å
252S87.9Confident85.5Confident1 Ų140.7 Ų40.71%0.00720%0.202CC..Hα-helixtrans-60.1-45172.7-176.10000111.7L248 R249 H250 C255 Q256 W303L248-S252 WeakPolarHBondContact O-CB 3.18Å; L248-S252 PolarHBondContact O-N 2.76Å; R249-S252 PolarHBondContact O-N 3.06Å; H250-S252 VanDerWaalsContact C-N 3.31Å; H250-S252 PolarHBondContact O-N 2.87Å; S252-C255 PolarHBondContact O-N 2.92Å; S252-Q256 WeakPolarHBondContact O-CG 3.21Å; S252-Q256 PolarHBondContact O-N 3.17Å; S252-W303 WeakPolarHBondContact OG-CA 3.36Å; S252-W303 PolarHBondContact OG-N 3.05Å
253R86.1Confident85.3Confident109 Ų10939.3 Ų39.341%0.41120%0.195SC..Hα-helixtrans-64.9-38.6176.2-69173.3-178.4177.42.9113.2E140 R249 H250 Q256 N257E140-R253 WeakPolarHBondContact OE1-CD 3.02Å; E140-R253 IonicContact OE1-NH1 3.88Å; E140-R253 WeakPolarHBondContact OE2-CD 3.31Å; E140-R253 IonicContact OE2-CZ 3.83Å; E140-R253 IonicContact OE2-NH1 2.85Å; E140-R253 PolarHBondContact OE2-NH1 3.27Å; R249-R253 WeakPolarHBondContact O-CG 2.95Å; R249-R253 PolarHBondContact O-N 3.13Å; R249-R253 VanDerWaalsContact O-N 3.1Å; H250-R253 WeakPolarHBondContact O-CB 3.23Å; H250-R253 PolarHBondContact O-N 2.97Å; H250-R253 VanDerWaalsContact O-N 3.1Å; R253-Q256 WeakPolarHBondContact O-CB 3.11Å; R253-Q256 PolarHBondContact O-N 3.25Å; R253-Q256 VanDerWaalsContact O-N 3.16Å; R253-N257 PolarHBondContact O-ND2 3.01Å
254V85.8Confident85.1Confident0 Ų041.8 Ų41.80%021%0.213CC..Hα-helixtrans-64.2-46.9174.7172.80000110L149 H250 F251 Q256 N257 N261 L263L149-V254 HydrophobicContact CD2-CG1 3.67Å; L149-V254 HydrophobicContact CD2-CG2 4.13Å; H250-V254 WeakPolarHBondContact O-CG2 3.17Å; H250-V254 PolarHBondContact O-N 2.86Å; F251-V254 PolarHBondContact O-N 3.21Å; V254-Q256 PolarHBondContact O-N 3.41Å; V254-Q256 VanDerWaalsContact O-N 3.13Å; V254-N257 PolarHBondContact O-N 3.41Å; V254-N261 PolarHBondContact O-ND2 3.01Å; V254-L263 HydrophobicContact CG1-CB 4.31Å; V254-L263 HydrophobicContact CG1-CD1 3.57Å
255C85.4Confident85Confident13 Ų1342.2 Ų42.29%0.08822%0.217CC..Hα-helixtrans-58.5-25.1173.6-71.70000112.7F251 S252 N257 A258 L268 W303F251-C255 WeakPolarHBondContact O-CB 3.4Å; F251-C255 PolarHBondContact O-N 3.22Å; F251-C255 PolarHBondContact O-SG 3.42Å; S252-C255 PolarHBondContact O-N 2.92Å; C255-N257 PolarHBondContact O-N 2.9Å; C255-A258 WeakPolarHBondContact O-CB 3.05Å; C255-A258 PolarHBondContact O-N 2.79Å; C255-L268 VanDerWaalsContact SG-CD1 3.52Å; C255-W303 HydrophobicContact CB-CE3 4.47Å; C255-W303 HydrophobicContact CB-CZ3 4.26Å
256Q84.1Confident84.9Confident82 Ų8244.6 Ų44.638%0.38322%0.224SC..Hα-helixtrans-63.9-24.4177.9-71.5166.330.400112.7S252 R253 V254 W303S252-Q256 WeakPolarHBondContact O-CG 3.21Å; S252-Q256 PolarHBondContact O-N 3.17Å; R253-Q256 WeakPolarHBondContact O-CB 3.11Å; R253-Q256 PolarHBondContact O-N 3.25Å; R253-Q256 VanDerWaalsContact O-N 3.16Å; V254-Q256 PolarHBondContact O-N 3.41Å; V254-Q256 VanDerWaalsContact O-N 3.13Å; Q256-W303 VanDerWaalsContact CA-CH2 3.47Å; Q256-W303 HydrophobicContact CB-CE3 4.48Å; Q256-W303 HydrophobicContact CB-CH2 3.92Å; Q256-W303 HydrophobicContact CB-CZ3 3.67Å; Q256-W303 HydrophobicContact CG-CD2 4.31Å; Q256-W303 HydrophobicContact CG-CE3 3.43Å; Q256-W303 VanDerWaalsContact CG-CE3 3.43Å; Q256-W303 HydrophobicContact CG-CH2 3.46Å; Q256-W303 VanDerWaalsContact CG-CH2 3.46Å; Q256-W303 HydrophobicContact CG-CZ2 4.28Å; Q256-W303 HydrophobicContact CG-CZ3 3.03Å; Q256-W303 VanDerWaalsContact N-CZ3 3.32Å
257N82.4Confident84.7Confident48 Ų4845.1 Ų45.126%0.25723%0.228SC..THydrogen-bonded Turntrans-106.621.7178.3-62.6-79.6000112V144 R253 V254 C255 P259 K260 N261V144-N257 HydrophobicContact CG1-CB 3.66Å; V144-N257 WeakPolarHBondContact CG1-ND2 3.43Å; V144-N257 WeakPolarHBondContact O-CB 3.32Å; R253-N257 PolarHBondContact O-ND2 3.01Å; V254-N257 PolarHBondContact O-N 3.41Å; C255-N257 PolarHBondContact O-N 2.9Å; N257-P259 VanDerWaalsContact C-N 3.29Å; N257-P259 VanDerWaalsContact O-N 3.13Å; N257-K260 PolarHBondContact O-N 3.21Å; N257-N261 VanDerWaalsContact O-CG 3.24Å; N257-N261 PolarHBondContact O-N 3.21Å; N257-N261 PolarHBondContact O-ND2 2.99Å; N257-N261 PolarHBondContact O-OD1 2.8Å
258A80.1Confident84.5Confident37 Ų3745.1 Ų45.131%0.30623%0.228SC..Hα-helixtrans-41.5-41.6171.800000115.3C255 K260 N261 Q262 L263C255-A258 WeakPolarHBondContact O-CB 3.05Å; C255-A258 PolarHBondContact O-N 2.79Å; A258-K260 PolarHBondContact O-N 3.2Å; A258-N261 VanDerWaalsContact CA-OD1 3.23Å; A258-N261 WeakPolarHBondContact CA-OD1 3.4Å; A258-N261 PolarHBondContact N-OD1 3.39Å; A258-Q262 WeakPolarHBondContact O-CA 3.44Å; A258-Q262 PolarHBondContact O-N 3.11Å; A258-L263 WeakPolarHBondContact CB-O 3.41Å
259P76.4Confident84.3Confident119 Ų11945 Ų4577%0.77323%0.227SC*.Hα-helixtrans-63.7-22.117823-34.7000114.2N257N257-P259 VanDerWaalsContact C-N 3.29Å; N257-P259 VanDerWaalsContact O-N 3.13Å
260K76.2Confident84.2Confident116 Ų11645.3 Ų45.350%0.50423%0.233SC..Hα-helixtrans-102.4-46-179.7-65.6178.4175.7174.50112.6D145 N257 A258D145-K260 HydrophobicContact CB-CD 4.46Å; D145-K260 WeakPolarHBondContact OD1-CD 3.37Å; D145-K260 WeakPolarHBondContact OD1-CE 3.48Å; D145-K260 IonicContact OD1-NZ 3.6Å; D145-K260 PolarHBondContact OD1-NZ 2.73Å; N257-K260 PolarHBondContact O-N 3.21Å; A258-K260 PolarHBondContact O-N 3.2Å
261N81.1Confident84Confident0 Ų047 Ų470%024%0.242CC..Hα-helixtrans-88.5-9.8-178.564.130.8000113.9V144 N146 V254 N257 A258 L263V144-N261 PolarHBondContact O-ND2 3.23Å; V144-N261 VanDerWaalsContact O-ND2 3.13Å; N146-N261 WeakPolarHBondContact O-CB 3.47Å; V254-N261 PolarHBondContact O-ND2 3.01Å; N257-N261 VanDerWaalsContact O-CG 3.24Å; N257-N261 PolarHBondContact O-N 3.21Å; N257-N261 PolarHBondContact O-ND2 2.99Å; N257-N261 PolarHBondContact O-OD1 2.8Å; A258-N261 VanDerWaalsContact CA-OD1 3.23Å; A258-N261 WeakPolarHBondContact CA-OD1 3.4Å; A258-N261 PolarHBondContact N-OD1 3.39Å; N261-L263 PolarHBondContact O-N 2.98Å; N261-L263 VanDerWaalsContact O-N 3.16Å; N261-L263 PolarHBondContact OD1-N 3.49Å
262Q79.6Confident83.9Confident119 Ų11947.1 Ų47.156%0.55624%0.242SC*.  trans5723.7179.8-57.4172.51.800114.2R151 A258R151-Q262 PolarHBondContact NH2-O 3.13Å; A258-Q262 WeakPolarHBondContact O-CA 3.44Å; A258-Q262 PolarHBondContact O-N 3.11Å
263L84.1Confident83.9Confident1 Ų147.1 Ų47.11%0.00524%0.242CC..  trans-98.3124.2176.9-69.6168.7000110.5L149 Y150 V254 A258 N261 L268 I271L149-L263 HydrophobicContact CB-CD1 3.93Å; L149-L263 HydrophobicContact CD2-CD1 3.91Å; L149-L263 HydrophobicContact CG-CD1 4.04Å; L149-L263 WeakPolarHBondContact O-CD1 3.48Å; Y150-L263 HydrophobicContact CD2-CD1 4.22Å; V254-L263 HydrophobicContact CG1-CB 4.31Å; V254-L263 HydrophobicContact CG1-CD1 3.57Å; A258-L263 WeakPolarHBondContact CB-O 3.41Å; N261-L263 PolarHBondContact O-N 2.98Å; N261-L263 VanDerWaalsContact O-N 3.16Å; N261-L263 PolarHBondContact OD1-N 3.49Å; L263-L268 HydrophobicContact CD1-CD2 4.29Å; L263-L268 HydrophobicContact CD2-CD2 4.35Å; L263-I271 HydrophobicContact CD2-CD1 4.25Å
264S85.4Confident83.8Confident53 Ų5344.8 Ų44.837%0.37124%0.241SC..  trans-101.6162.3171.374.30000111.2R266 S267 L268S264-R266 PolarHBondContact O-N 3.24Å; S264-S267 WeakPolarHBondContact O-CB 3.33Å; S264-S267 PolarHBondContact O-N 3.39Å; S264-S267 PolarHBondContact OG-N 3.28Å; S264-S267 VanDerWaalsContact OG-N 3.1Å; S264-S267 PolarHBondContact OG-OG 3.49Å; S264-L268 PolarHBondContact O-N 3.02Å
265A85.6Confident83.7Confident15 Ų1545 Ų4512%0.12424%0.242CC..Hα-helixtrans-56.3-36.8175.100000112.1G269 E296 V299A265-G269 PolarHBondContact O-N 2.73Å; A265-E296 HydrophobicContact CB-CG 4.22Å; A265-V299 HydrophobicContact CB-CB 4.14Å; A265-V299 HydrophobicContact CB-CG1 3.89Å
266R86.1Confident83.7Confident102 Ų10244.4 Ų44.439%0.38524%0.238SC..Hα-helixtrans-66.1-44.4174-169.6175.9-177.2102.95.2112.3S264 L268 G269 E270 D289 I292 E296S264-R266 PolarHBondContact O-N 3.24Å; R266-L268 VanDerWaalsContact C-N 3.34Å; R266-L268 PolarHBondContact O-N 3.34Å; R266-G269 WeakPolarHBondContact O-CA 3.3Å; R266-G269 PolarHBondContact O-N 2.96Å; R266-G269 VanDerWaalsContact O-N 3.13Å; R266-E270 IonicContact NE-OE1 2.76Å; R266-E270 WeakPolarHBondContact O-CG 3.39Å; R266-E270 PolarHBondContact O-N 2.97Å; R266-D289 IonicContact NH2-OD1 3.58Å; R266-D289 PolarHBondContact NH2-OD1 3.43Å; R266-D289 VanDerWaalsContact NH2-OD1 3.08Å; R266-I292 HydrophobicContact CG-CG2 4.07Å; R266-E296 HydrophobicContact CB-CG 4.45Å; R266-E296 IonicContact NH1-OE2 2.79Å
267S85.3Confident83.6Confident33 Ų3340.8 Ų40.823%0.23122%0.221CC..Hα-helixtrans-62.3-39177.2-51.60000112.3S264 E270 I271S264-S267 WeakPolarHBondContact O-CB 3.33Å; S264-S267 PolarHBondContact O-N 3.39Å; S264-S267 PolarHBondContact OG-N 3.28Å; S264-S267 VanDerWaalsContact OG-N 3.1Å; S264-S267 PolarHBondContact OG-OG 3.49Å; S267-E270 PolarHBondContact O-N 3.21Å; S267-I271 WeakPolarHBondContact O-CD1 3.37Å; S267-I271 VanDerWaalsContact O-CG1 3.26Å; S267-I271 WeakPolarHBondContact O-CG1 3.45Å; S267-I271 PolarHBondContact O-N 3.28Å; S267-I271 VanDerWaalsContact O-N 3.12Å
268L86.7Confident83.3Confident0 Ų042.4 Ų42.40%022%0.223CC..Hα-helixtrans-67.5-37.8173.4-69.4176.1000111.8Y150 F251 C255 L263 S264 R266 E270 I271 F272Y150-L268 HydrophobicContact CD2-CD2 4.03Å; F251-L268 HydrophobicContact CB-CD1 3.67Å; F251-L268 HydrophobicContact CD1-CD1 3.99Å; F251-L268 HydrophobicContact CD1-CD2 4.34Å; F251-L268 HydrophobicContact CG-CD1 3.91Å; C255-L268 VanDerWaalsContact SG-CD1 3.52Å; L263-L268 HydrophobicContact CD1-CD2 4.29Å; L263-L268 HydrophobicContact CD2-CD2 4.35Å; S264-L268 PolarHBondContact O-N 3.02Å; R266-L268 VanDerWaalsContact C-N 3.34Å; R266-L268 PolarHBondContact O-N 3.34Å; L268-E270 VanDerWaalsContact C-N 3.34Å; L268-I271 PolarHBondContact O-N 3.47Å; L268-F272 HydrophobicContact CD2-CD2 4.39Å; L268-F272 HydrophobicContact CD2-CE2 4.21Å; L268-F272 PolarHBondContact O-N 3.34Å
269G84.8Confident82.5Confident0 Ų044.1 Ų44.10%023%0.225CC..Hα-helixtrans-59.2-42.3171.700000112.8A265 R266 S273A265-G269 PolarHBondContact O-N 2.73Å; R266-G269 WeakPolarHBondContact O-CA 3.3Å; R266-G269 PolarHBondContact O-N 2.96Å; R266-G269 VanDerWaalsContact O-N 3.13Å; G269-S273 WeakPolarHBondContact O-CA 3.45Å; G269-S273 WeakPolarHBondContact O-CB 3.44Å; G269-S273 PolarHBondContact O-N 3.34Å; G269-S273 PolarHBondContact O-OG 2.77Å
270E86.1Confident81.2Confident101 Ų10146.1 Ų46.147%0.47222%0.224SC..Hα-helixtrans-63.1-41.4175.1-72.5167.5-178.300112.1R266 S267 L268 I292R266-E270 IonicContact NE-OE1 2.76Å; R266-E270 WeakPolarHBondContact O-CG 3.39Å; R266-E270 PolarHBondContact O-N 2.97Å; S267-E270 PolarHBondContact O-N 3.21Å; L268-E270 VanDerWaalsContact C-N 3.34Å; E270-I292 HydrophobicContact CG-CD1 3.84Å; E270-I292 HydrophobicContact CG-CG1 4.34Å; E270-I292 HydrophobicContact CG-CG2 4.22Å
271I85.5Confident79.6Confident39 Ų3947.1 Ų47.120%0.224%0.243CC..Hα-helixtrans-73.2-44.4-177.8-66.8161.3000112.3F153 L263 S267 L268F153-I271 HydrophobicContact CE2-CG2 3.61Å; F153-I271 HydrophobicContact CZ-CG2 3.76Å; L263-I271 HydrophobicContact CD2-CD1 4.25Å; S267-I271 WeakPolarHBondContact O-CD1 3.37Å; S267-I271 VanDerWaalsContact O-CG1 3.26Å; S267-I271 WeakPolarHBondContact O-CG1 3.45Å; S267-I271 PolarHBondContact O-N 3.28Å; S267-I271 VanDerWaalsContact O-N 3.12Å; L268-I271 PolarHBondContact O-N 3.47Å
272F88.1Confident77.7Confident1 Ų152.7 Ų52.70%0.00428%0.277CS..Hα-helixtrans-100.8-13.9-170.1-74-80.9000114.6Y150 L186 L190 F251 L268 P274 V275 F276Y150-F272 HydrophobicContact CD1-CE2 4.07Å; Y150-F272 AromaticContact CD1-CZ 3.68Å; Y150-F272 HydrophobicContact CD1-CZ 3.68Å; Y150-F272 HydrophobicContact CD2-CE2 4.13Å; Y150-F272 HydrophobicContact CD2-CZ 4.45Å; Y150-F272 HydrophobicContact CE1-CE2 4.39Å; Y150-F272 AromaticContact CE1-CZ 3.77Å; Y150-F272 HydrophobicContact CE1-CZ 3.77Å; Y150-F272 HydrophobicContact CE2-CE2 4.43Å; Y150-F272 AromaticContact CG-CE2 3.93Å; Y150-F272 HydrophobicContact CG-CE2 3.93Å; Y150-F272 HydrophobicContact CG-CZ 4.04Å; L186-F272 HydrophobicContact CD2-CE1 4.27Å; L186-F272 HydrophobicContact CD2-CZ 4.17Å; L190-F272 HydrophobicContact CD1-CD1 4.37Å; L190-F272 HydrophobicContact CD1-CE1 4.47Å; F251-F272 AromaticContact CE1-CD2 3.85Å; F251-F272 HydrophobicContact CE1-CD2 3.85Å; F251-F272 AromaticContact CE1-CE2 3.54Å; F251-F272 HydrophobicContact CE1-CE2 3.54Å; F251-F272 HydrophobicContact CE1-CG 4.46Å; F251-F272 AromaticContact CE1-CZ 3.92Å; F251-F272 HydrophobicContact CE1-CZ 3.92Å; F251-F272 HydrophobicContact CE2-CB 4.31Å; F251-F272 HydrophobicContact CE2-CD2 4.02Å; F251-F272 HydrophobicContact CE2-CG 4.09Å; F251-F272 HydrophobicContact CZ-CB 4.29Å; F251-F272 AromaticContact CZ-CD1 3.91Å; F251-F272 HydrophobicContact CZ-CD1 3.91Å; F251-F272 AromaticContact CZ-CD2 3.36Å; F251-F272 HydrophobicContact CZ-CD2 3.36Å; F251-F272 HydrophobicContact CZ-CE1 4.03Å; F251-F272 AromaticContact CZ-CE2 3.5Å; F251-F272 HydrophobicContact CZ-CE2 3.5Å; F251-F272 VanDerWaalsContact CZ-CE2 3.5Å; F251-F272 AromaticContact CZ-CG 3.58Å; F251-F272 HydrophobicContact CZ-CG 3.58Å; F251-F272 AromaticContact CZ-CZ 3.83Å; F251-F272 HydrophobicContact CZ-CZ 3.83Å; L268-F272 HydrophobicContact CD2-CD2 4.39Å; L268-F272 HydrophobicContact CD2-CE2 4.21Å; L268-F272 PolarHBondContact O-N 3.34Å; F272-P274 VanDerWaalsContact C-CD 3.41Å; F272-V275 PolarHBondContact O-N 3.49Å; F272-F276 HydrophobicContact CB-CD1 4.03Å; F272-F276 HydrophobicContact CB-CE1 3.92Å; F272-F276 HydrophobicContact CB-CZ 4.48Å; F272-F276 HydrophobicContact CD1-CE1 4.08Å; F272-F276 HydrophobicContact CG-CE1 4.3Å; F272-F276 WeakPolarHBondContact O-CD1 3.35Å; F272-F276 PolarHBondContact O-N 2.85Å
273S86Confident75.8Confident2 Ų251.8 Ų51.81%0.01428%0.284CS..Hα-helixtrans-55.2-40175.458.50000114.1G269 V275 F277G269-S273 WeakPolarHBondContact O-CA 3.45Å; G269-S273 WeakPolarHBondContact O-CB 3.44Å; G269-S273 PolarHBondContact O-N 3.34Å; G269-S273 PolarHBondContact O-OG 2.77Å; S273-V275 PolarHBondContact O-N 2.92Å; S273-F277 WeakPolarHBondContact O-CD2 3.42Å; S273-F277 PolarHBondContact O-N 3.37Å
274P84Confident73.7Confident59 Ų5956.3 Ų56.338%0.38331%0.314SS..Hα-helixtrans-65.8-27.5178.7-19.834.7000112.6F272 R278F272-P274 VanDerWaalsContact C-CD 3.41Å; P274-R278 VanDerWaalsContact O-CA 3.24Å; P274-R278 WeakPolarHBondContact O-CA 3.29Å; P274-R278 PolarHBondContact O-N 3.05Å; P274-R278 VanDerWaalsContact O-N 3.08Å
275V84.3Confident71.7Confident4 Ų462.4 Ų62.42%0.02434%0.337CS..Hα-helixtrans-88-39.3-176.7-175.10000111.4R187 L190 Q191 F272 S273 F277R187-V275 HydrophobicContact CG-CG2 4.2Å; L190-V275 HydrophobicContact CB-CG1 3.39Å; L190-V275 HydrophobicContact CD1-CG1 4.31Å; Q191-V275 HydrophobicContact CG-CG1 3.97Å; Q191-V275 HydrophobicContact CG-CG2 4.39Å; F272-V275 PolarHBondContact O-N 3.49Å; S273-V275 PolarHBondContact O-N 2.92Å; V275-F277 VanDerWaalsContact C-N 3.33Å; V275-F277 PolarHBondContact O-N 3.35Å
276F85.1Confident70Confident2 Ų265.6 Ų65.61%0.00936%0.357CS..Hα-helixtrans-69.7-31.5-179.8-82.531.8000112.5L190 P196 I197 V198 L244 L247 F251 F272 I295L190-F276 HydrophobicContact CD1-CD1 4.29Å; L190-F276 HydrophobicContact CD1-CE1 3.7Å; P196-F276 WeakPolarHBondContact CB-O 2.94Å; I197-F276 HydrophobicContact CD1-CD1 3.74Å; I197-F276 HydrophobicContact CD1-CE1 3.71Å; I197-F276 HydrophobicContact CD1-CG 4.24Å; I197-F276 HydrophobicContact CD1-CZ 4.18Å; V198-F276 PolarHBondContact N-O 3.09Å; L244-F276 HydrophobicContact CD1-CD2 3.92Å; L244-F276 HydrophobicContact CD1-CE2 3.62Å; L247-F276 HydrophobicContact CB-CZ 4.08Å; L247-F276 HydrophobicContact CD1-CE1 4.22Å; L247-F276 HydrophobicContact CD1-CZ 3.86Å; L247-F276 HydrophobicContact CG-CZ 4.47Å; F251-F276 HydrophobicContact CE2-CE1 4.23Å; F251-F276 HydrophobicContact CE2-CE2 4.2Å; F251-F276 AromaticContact CE2-CZ 3.54Å; F251-F276 HydrophobicContact CE2-CZ 3.54Å; F251-F276 HydrophobicContact CZ-CE1 4.48Å; F251-F276 HydrophobicContact CZ-CZ 4.14Å; F272-F276 HydrophobicContact CB-CD1 4.03Å; F272-F276 HydrophobicContact CB-CE1 3.92Å; F272-F276 HydrophobicContact CB-CZ 4.48Å; F272-F276 HydrophobicContact CD1-CE1 4.08Å; F272-F276 HydrophobicContact CG-CE1 4.3Å; F272-F276 WeakPolarHBondContact O-CD1 3.35Å; F272-F276 PolarHBondContact O-N 2.85Å; F276-I295 HydrophobicContact CB-CD1 4.46Å; F276-I295 HydrophobicContact CD2-CD1 4.01Å; F276-I295 HydrophobicContact CD2-CG1 4.39Å; F276-I295 HydrophobicContact CG-CD1 4.36Å
277F82.9Confident68.9Low6 Ų662.1 Ų62.13%0.02635%0.348CS..Hα-helixtrans-112.5-8.5-175.9-62-88.2000114V198 H203 S273 V275 Q279 F291 I294 I295V198-F277 HydrophobicContact CB-CD1 4.09Å; V198-F277 HydrophobicContact CB-CE1 3.85Å; V198-F277 HydrophobicContact CB-CZ 4.41Å; V198-F277 HydrophobicContact CG1-CD1 4.17Å; V198-F277 HydrophobicContact CG1-CE1 3.68Å; V198-F277 HydrophobicContact CG1-CZ 4.46Å; V198-F277 HydrophobicContact CG2-CE1 4.14Å; V198-F277 HydrophobicContact CG2-CZ 4.2Å; H203-F277 AromaticContact CD2-CD1 3.59Å; H203-F277 AromaticContact CE1-CD1 3.79Å; H203-F277 PolarHBondContact CE1-O 3.26Å; H203-F277 VanDerWaalsContact CE1-O 3.32Å; H203-F277 AromaticContact NE2-CD1 3.44Å; H203-F277 WeakPolarHBondContact NE2-CD1 3.24Å; S273-F277 WeakPolarHBondContact O-CD2 3.42Å; S273-F277 PolarHBondContact O-N 3.37Å; V275-F277 VanDerWaalsContact C-N 3.33Å; V275-F277 PolarHBondContact O-N 3.35Å; F277-Q279 HydrophobicContact CB-CG 4.14Å; F277-Q279 PolarHBondContact O-N 3.35Å; F277-F291 AromaticContact CD1-CD1 3.36Å; F277-F291 HydrophobicContact CD1-CD1 3.36Å; F277-F291 AromaticContact CD1-CE1 3.45Å; F277-F291 HydrophobicContact CD1-CE1 3.45Å; F277-F291 VanDerWaalsContact CD1-CE1 3.45Å; F277-F291 HydrophobicContact CD1-CG 4.23Å; F277-F291 HydrophobicContact CD1-CZ 4.4Å; F277-F291 HydrophobicContact CD2-CB 4.01Å; F277-F291 AromaticContact CD2-CD1 3.93Å; F277-F291 HydrophobicContact CD2-CD1 3.93Å; F277-F291 HydrophobicContact CD2-CG 4.13Å; F277-F291 AromaticContact CE1-CD1 3.29Å; F277-F291 HydrophobicContact CE1-CD1 3.29Å; F277-F291 AromaticContact CE1-CE1 3.58Å; F277-F291 HydrophobicContact CE1-CE1 3.58Å; F277-F291 HydrophobicContact CE1-CG 4.37Å; F277-F291 HydrophobicContact CE2-CB 3.94Å; F277-F291 AromaticContact CE2-CD1 3.85Å; F277-F291 HydrophobicContact CE2-CD1 3.85Å; F277-F291 HydrophobicContact CE2-CG 4.25Å; F277-F291 AromaticContact CG-CD1 3.72Å; F277-F291 HydrophobicContact CG-CD1 3.72Å; F277-F291 HydrophobicContact CG-CE1 4.11Å; F277-F291 HydrophobicContact CG-CG 4.14Å; F277-F291 HydrophobicContact CZ-CB 4.4Å; F277-F291 AromaticContact CZ-CD1 3.56Å; F277-F291 HydrophobicContact CZ-CD1 3.56Å; F277-F291 HydrophobicContact CZ-CE1 4.31Å; F277-F291 HydrophobicContact CZ-CG 4.39Å; F277-I294 HydrophobicContact CZ-CG2 4.21Å; F277-I295 HydrophobicContact CE2-CD1 4.02Å; F277-I295 HydrophobicContact CE2-CG1 4.13Å
278R76Confident68.3Low81 Ų8164.2 Ų64.231%0.30636%0.356SS..THydrogen-bonded Turntrans44.861-179-71.4-179-168.9177.3-2.7114.2L190 Q191 L193 P194 Q195 P196 P274L190-R278 PolarHBondContact O-NH2 2.97Å; Q191-R278 PolarHBondContact O-NH2 3.06Å; Q191-R278 VanDerWaalsContact O-NH2 3.08Å; L193-R278 VanDerWaalsContact C-NH2 3.3Å; L193-R278 VanDerWaalsContact CB-NH2 3.3Å; L193-R278 PolarHBondContact O-NH1 3.3Å; L193-R278 PolarHBondContact O-NH2 2.6Å; P194-R278 PolarHBondContact O-NH1 2.85Å; Q195-R278 VanDerWaalsContact C-NH1 3.34Å; Q195-R278 PolarHBondContact O-NH2 3.07Å; P196-R278 HydrophobicContact CB-CB 4.25Å; P196-R278 HydrophobicContact CB-CG 3.97Å; P274-R278 VanDerWaalsContact O-CA 3.24Å; P274-R278 WeakPolarHBondContact O-CA 3.29Å; P274-R278 PolarHBondContact O-N 3.05Å; P274-R278 VanDerWaalsContact O-N 3.08Å
279Q62.3Low68Low73 Ų7368 Ų6834%0.34138%0.376SS..  trans-75.7136.6-175.7-56.9-132.2-53.500112.5F277F277-Q279 HydrophobicContact CB-CG 4.14Å; F277-Q279 PolarHBondContact O-N 3.35Å
280Q50.3Low67.9Low161 Ų16168.2 Ų68.275%0.75238%0.378SS*.  trans-82.9138.1165.5-74.3-178.2-8.700110T282Q280-T282 PolarHBondContact O-N 2.98Å
281P41.9Very low67.7Low137 Ų13763.8 Ų63.889%0.8936%0.357SS*.THydrogen-bonded Turntrans-71.312.9-170.826.5-34.3000116.2
282T41.1Very low67.7Low118 Ų11862.6 Ų62.672%0.72435%0.351SS*.THydrogen-bonded Turntrans-113.49-165.1480000117.4Q280Q280-T282 PolarHBondContact O-N 2.98Å
283S39.6Very low67.6Low100 Ų10067 Ų6770%0.69937%0.37SS*.SBendtrans-154.8121.217166.20000116.1
284C40.6Very low67.5Low95 Ų9567 Ų6764%0.64237%0.37SS*.  trans70.995.2159.8-103.20000118.1P286 S287C284-P286 HydrophobicContact CB-CG 4.37Å; C284-S287 PolarHBondContact O-N 2.56Å; C284-S287 PolarHBondContact O-OG 3.49Å
285E44.3Very low67.6Low181 Ų18164.4 Ų64.485%0.84635%0.353SS*.G310 helixtrans-46-36.3165.3-70-173.1151.300116.6S287 L288E285-S287 PolarHBondContact O-N 3.12Å; E285-L288 PolarHBondContact O-N 2.86Å
286P49.8Very low67.7Low83 Ų8366.8 Ų66.854%0.53936%0.364SS..G310 helixtrans-71.73-178.526.9-35.7000114.8K211 C284K211-P286 WeakPolarHBondContact CE-O 3.34Å; K211-P286 PolarHBondContact NZ-O 3.36Å; C284-P286 HydrophobicContact CB-CG 4.37Å
287S62.8Low67.8Low28 Ų2868.2 Ų68.220%0.19637%0.372CS..G310 helixtrans-92.7-32.4174.768.90000112.8C284 E285 A290 F291C284-S287 PolarHBondContact O-N 2.56Å; C284-S287 PolarHBondContact O-OG 3.49Å; E285-S287 PolarHBondContact O-N 3.12Å; S287-A290 WeakPolarHBondContact O-CB 3.45Å; S287-A290 PolarHBondContact O-N 2.62Å; S287-F291 WeakPolarHBondContact O-CD2 3.4Å; S287-F291 PolarHBondContact O-N 3.01Å; S287-F291 VanDerWaalsContact O-N 3.17Å
288L72.6Confident67.9Low77 Ų7768.1 Ų68.140%0.40337%0.372SS..Hα-helixtrans-65.1-46.1-175.8-173.571.2000112.4E285 A290 F291 I292E285-L288 PolarHBondContact O-N 2.86Å; L288-A290 PolarHBondContact O-N 3.07Å; L288-F291 PolarHBondContact O-N 2.64Å; L288-F291 VanDerWaalsContact O-N 3.09Å; L288-I292 HydrophobicContact CD2-CD1 4.49Å; L288-I292 HydrophobicContact CG-CD1 4.02Å; L288-I292 WeakPolarHBondContact O-CG1 3.46Å; L288-I292 PolarHBondContact O-N 2.89Å
289D80.2Confident68.4Low79 Ų7964.3 Ų64.342%0.42236%0.358SS..Hα-helixtrans-62-31.9177.3-173.772.7000111.6R266 K293R266-D289 IonicContact NH2-OD1 3.58Å; R266-D289 PolarHBondContact NH2-OD1 3.43Å; R266-D289 VanDerWaalsContact NH2-OD1 3.08Å; D289-K293 WeakPolarHBondContact O-CB 3.23Å; D289-K293 PolarHBondContact O-N 3.36Å
290A81.6Confident69.5Low5 Ų564.1 Ų64.14%0.04136%0.362CS..Hα-helixtrans-68.4-39.4174.100000112.3V207 S287 L288 K293 I294V207-A290 HydrophobicContact CG1-CB 4.11Å; V207-A290 HydrophobicContact CG2-CB 4.24Å; S287-A290 WeakPolarHBondContact O-CB 3.45Å; S287-A290 PolarHBondContact O-N 2.62Å; L288-A290 PolarHBondContact O-N 3.07Å; A290-K293 PolarHBondContact O-N 2.95Å; A290-I294 WeakPolarHBondContact O-CD1 3.44Å; A290-I294 WeakPolarHBondContact O-CG1 3.49Å; A290-I294 PolarHBondContact O-N 3.46Å
291F82.9Confident70.9Confident9 Ų956.9 Ų56.94%0.03933%0.329CS..Hα-helixtrans-69.5-39.3175.9-67-60.9000113H203 V207 F277 S287 L288 K293 I294 I295H203-F291 HydrophobicContact CB-CE1 4Å; H203-F291 HydrophobicContact CB-CZ 4.04Å; V207-F291 HydrophobicContact CG2-CD1 4.17Å; V207-F291 HydrophobicContact CG2-CE1 3.56Å; V207-F291 HydrophobicContact CG2-CE2 4.23Å; V207-F291 HydrophobicContact CG2-CZ 3.6Å; F277-F291 AromaticContact CD1-CD1 3.36Å; F277-F291 HydrophobicContact CD1-CD1 3.36Å; F277-F291 AromaticContact CD1-CE1 3.45Å; F277-F291 HydrophobicContact CD1-CE1 3.45Å; F277-F291 VanDerWaalsContact CD1-CE1 3.45Å; F277-F291 HydrophobicContact CD1-CG 4.23Å; F277-F291 HydrophobicContact CD1-CZ 4.4Å; F277-F291 HydrophobicContact CD2-CB 4.01Å; F277-F291 AromaticContact CD2-CD1 3.93Å; F277-F291 HydrophobicContact CD2-CD1 3.93Å; F277-F291 HydrophobicContact CD2-CG 4.13Å; F277-F291 AromaticContact CE1-CD1 3.29Å; F277-F291 HydrophobicContact CE1-CD1 3.29Å; F277-F291 AromaticContact CE1-CE1 3.58Å; F277-F291 HydrophobicContact CE1-CE1 3.58Å; F277-F291 HydrophobicContact CE1-CG 4.37Å; F277-F291 HydrophobicContact CE2-CB 3.94Å; F277-F291 AromaticContact CE2-CD1 3.85Å; F277-F291 HydrophobicContact CE2-CD1 3.85Å; F277-F291 HydrophobicContact CE2-CG 4.25Å; F277-F291 AromaticContact CG-CD1 3.72Å; F277-F291 HydrophobicContact CG-CD1 3.72Å; F277-F291 HydrophobicContact CG-CE1 4.11Å; F277-F291 HydrophobicContact CG-CG 4.14Å; F277-F291 HydrophobicContact CZ-CB 4.4Å; F277-F291 AromaticContact CZ-CD1 3.56Å; F277-F291 HydrophobicContact CZ-CD1 3.56Å; F277-F291 HydrophobicContact CZ-CE1 4.31Å; F277-F291 HydrophobicContact CZ-CG 4.39Å; S287-F291 WeakPolarHBondContact O-CD2 3.4Å; S287-F291 PolarHBondContact O-N 3.01Å; S287-F291 VanDerWaalsContact O-N 3.17Å; L288-F291 PolarHBondContact O-N 2.64Å; L288-F291 VanDerWaalsContact O-N 3.09Å; F291-K293 VanDerWaalsContact C-N 3.32Å; F291-I294 HydrophobicContact CD1-CD1 3.94Å; F291-I294 HydrophobicContact CE1-CD1 4.43Å; F291-I294 PolarHBondContact O-N 3.25Å; F291-I295 PolarHBondContact O-N 2.99Å; F291-I295 VanDerWaalsContact O-N 3.15Å
292I86.4Confident72.7Confident13 Ų1350.7 Ų50.77%0.06729%0.288CS..Hα-helixtrans-59.8-47.4171.9-65.8164.2000109.4R266 E270 L288 I294 I295 E296R266-I292 HydrophobicContact CG-CG2 4.07Å; E270-I292 HydrophobicContact CG-CD1 3.84Å; E270-I292 HydrophobicContact CG-CG1 4.34Å; E270-I292 HydrophobicContact CG-CG2 4.22Å; L288-I292 HydrophobicContact CD2-CD1 4.49Å; L288-I292 HydrophobicContact CG-CD1 4.02Å; L288-I292 WeakPolarHBondContact O-CG1 3.46Å; L288-I292 PolarHBondContact O-N 2.89Å; I292-I294 VanDerWaalsContact C-N 3.33Å; I292-I294 PolarHBondContact O-N 3.47Å; I292-I295 PolarHBondContact O-N 3.19Å; I292-E296 WeakPolarHBondContact O-CB 3.37Å; I292-E296 PolarHBondContact O-N 3.03Å
293K84Confident73.8Confident95 Ų9548.4 Ų48.441%0.41327%0.266SS..Hα-helixtrans-64.8-33.6179-168.1170.5179.8-173.50113V210 D289 A290 F291 E296 V297V210-K293 HydrophobicContact CG1-CB 3.99Å; V210-K293 HydrophobicContact CG1-CD 3.57Å; V210-K293 HydrophobicContact CG1-CG 3.68Å; D289-K293 WeakPolarHBondContact O-CB 3.23Å; D289-K293 PolarHBondContact O-N 3.36Å; A290-K293 PolarHBondContact O-N 2.95Å; F291-K293 VanDerWaalsContact C-N 3.32Å; K293-E296 PolarHBondContact O-N 3.13Å; K293-V297 HydrophobicContact CG-CG2 4.41Å; K293-V297 WeakPolarHBondContact O-CB 3.49Å; K293-V297 WeakPolarHBondContact O-CG2 3.28Å; K293-V297 PolarHBondContact O-N 3.26Å
294I84.5Confident74.8Confident1 Ų146.7 Ų46.71%0.00525%0.254CS..Hα-helixtrans-60.7-49.9172-73.1159.8000110.5M206 V207 V210 L227 F277 A290 F291 I292 L298M206-I294 HydrophobicContact CB-CD1 3.73Å; M206-I294 HydrophobicContact CB-CG1 4.48Å; M206-I294 HydrophobicContact CE-CG2 3.64Å; V207-I294 HydrophobicContact CG2-CD1 4.17Å; V210-I294 HydrophobicContact CB-CG1 4.3Å; V210-I294 HydrophobicContact CG2-CG1 3.55Å; L227-I294 HydrophobicContact CD2-CG1 4.38Å; L227-I294 HydrophobicContact CD2-CG2 4.49Å; F277-I294 HydrophobicContact CZ-CG2 4.21Å; A290-I294 WeakPolarHBondContact O-CD1 3.44Å; A290-I294 WeakPolarHBondContact O-CG1 3.49Å; A290-I294 PolarHBondContact O-N 3.46Å; F291-I294 HydrophobicContact CD1-CD1 3.94Å; F291-I294 HydrophobicContact CE1-CD1 4.43Å; F291-I294 PolarHBondContact O-N 3.25Å; I292-I294 VanDerWaalsContact C-N 3.33Å; I292-I294 PolarHBondContact O-N 3.47Å; I294-L298 HydrophobicContact CG2-CD1 3.91Å; I294-L298 WeakPolarHBondContact O-CB 3.35Å; I294-L298 VanDerWaalsContact O-CG 3.28Å; I294-L298 WeakPolarHBondContact O-CG 3.46Å; I294-L298 PolarHBondContact O-N 2.96Å; I294-L298 VanDerWaalsContact O-N 3.1Å
295I86.6Confident75.6Confident4 Ų447.3 Ų47.32%0.02125%0.248CC..Hα-helixtrans-65-43.2178.7-63.5174.6000110.3F276 F277 F291 I292 V297 L298 V299F276-I295 HydrophobicContact CB-CD1 4.46Å; F276-I295 HydrophobicContact CD2-CD1 4.01Å; F276-I295 HydrophobicContact CD2-CG1 4.39Å; F276-I295 HydrophobicContact CG-CD1 4.36Å; F277-I295 HydrophobicContact CE2-CD1 4.02Å; F277-I295 HydrophobicContact CE2-CG1 4.13Å; F291-I295 PolarHBondContact O-N 2.99Å; F291-I295 VanDerWaalsContact O-N 3.15Å; I292-I295 PolarHBondContact O-N 3.19Å; I295-V297 PolarHBondContact O-N 3.06Å; I295-L298 PolarHBondContact O-N 3.3Å; I295-V299 HydrophobicContact CG2-CG2 4Å; I295-V299 WeakPolarHBondContact O-CB 3.4Å; I295-V299 VanDerWaalsContact O-CG2 3.29Å; I295-V299 WeakPolarHBondContact O-CG2 3.29Å; I295-V299 PolarHBondContact O-N 2.79Å
296E87.3Confident75.9Confident54 Ų5441.4 Ų41.425%0.25223%0.227SC..Hα-helixtrans-57.7-48.8178.7-176.8179.1-173.500111.9A265 R266 I292 K293 T300A265-E296 HydrophobicContact CB-CG 4.22Å; R266-E296 HydrophobicContact CB-CG 4.45Å; R266-E296 IonicContact NH1-OE2 2.79Å; I292-E296 WeakPolarHBondContact O-CB 3.37Å; I292-E296 PolarHBondContact O-N 3.03Å; K293-E296 PolarHBondContact O-N 3.13Å; E296-T300 VanDerWaalsContact O-CB 3.27Å; E296-T300 WeakPolarHBondContact O-CB 3.35Å; E296-T300 PolarHBondContact O-N 3.49Å; E296-T300 PolarHBondContact O-OG1 3.09Å
297V86.1Confident75.7Confident32 Ų3243.5 Ų43.519%0.19423%0.229CC..Hα-helixtrans-62.7-45.1178170.20000111T224 L227 K293 I295 T300 S301T224-V297 WeakPolarHBondContact OG1-CG1 3.49Å; L227-V297 HydrophobicContact CD1-CB 4.44Å; L227-V297 HydrophobicContact CD1-CG1 4.07Å; K293-V297 HydrophobicContact CG-CG2 4.41Å; K293-V297 WeakPolarHBondContact O-CB 3.49Å; K293-V297 WeakPolarHBondContact O-CG2 3.28Å; K293-V297 PolarHBondContact O-N 3.26Å; I295-V297 PolarHBondContact O-N 3.06Å; V297-T300 PolarHBondContact O-N 3.24Å; V297-S301 PolarHBondContact O-N 3.49Å; V297-S301 PolarHBondContact O-OG 2.9Å
298L85.3Confident74.5Confident4 Ų446.3 Ų46.32%0.02125%0.254CS..Hα-helixtrans-67-39.7-180-71.4171.8000113M206 L227 R228 L248 I294 I295 S301 E302M206-L298 HydrophobicContact CE-CD1 4.38Å; L227-L298 HydrophobicContact CB-CD2 4.01Å; L227-L298 HydrophobicContact CD1-CG 4.42Å; R228-L298 HydrophobicContact CG-CD2 4.32Å; L248-L298 HydrophobicContact CD1-CB 3.94Å; L248-L298 HydrophobicContact CD1-CD1 4.32Å; L248-L298 HydrophobicContact CD2-CB 3.8Å; I294-L298 HydrophobicContact CG2-CD1 3.91Å; I294-L298 WeakPolarHBondContact O-CB 3.35Å; I294-L298 VanDerWaalsContact O-CG 3.28Å; I294-L298 WeakPolarHBondContact O-CG 3.46Å; I294-L298 PolarHBondContact O-N 2.96Å; I294-L298 VanDerWaalsContact O-N 3.1Å; I295-L298 PolarHBondContact O-N 3.3Å; L298-S301 PolarHBondContact O-OG 2.76Å; L298-E302 WeakPolarHBondContact O-CG 3.35Å; L298-E302 PolarHBondContact O-N 3.42Å
299V86.8Confident72.7Confident2 Ų244.7 Ų44.71%0.01225%0.252CS..Hα-helixtrans-68.8-40.1176.4172.10000110.8L248 F251 A265 I295 S301 E302 W303L248-V299 HydrophobicContact CD2-CG2 3.69Å; F251-V299 HydrophobicContact CB-CG1 4.24Å; F251-V299 HydrophobicContact CB-CG2 3.92Å; F251-V299 HydrophobicContact CD2-CG2 4.34Å; A265-V299 HydrophobicContact CB-CB 4.14Å; A265-V299 HydrophobicContact CB-CG1 3.89Å; I295-V299 HydrophobicContact CG2-CG2 4Å; I295-V299 WeakPolarHBondContact O-CB 3.4Å; I295-V299 VanDerWaalsContact O-CG2 3.29Å; I295-V299 WeakPolarHBondContact O-CG2 3.29Å; I295-V299 PolarHBondContact O-N 2.79Å; V299-S301 VanDerWaalsContact C-N 3.33Å; V299-E302 PolarHBondContact O-N 2.91Å; V299-W303 PolarHBondContact O-N 3.09Å
300T84.2Confident70.6Confident68 Ų6845.5 Ų45.542%0.41726%0.261SS..Hα-helixtrans-69.3-31.4178.8-51.70000111.8E296 V297 W303 S304E296-T300 VanDerWaalsContact O-CB 3.27Å; E296-T300 WeakPolarHBondContact O-CB 3.35Å; E296-T300 PolarHBondContact O-N 3.49Å; E296-T300 PolarHBondContact O-OG1 3.09Å; V297-T300 PolarHBondContact O-N 3.24Å; T300-W303 WeakPolarHBondContact O-CB 3.35Å; T300-W303 PolarHBondContact O-N 3.2Å; T300-S304 PolarHBondContact O-N 3.33Å; T300-S304 VanDerWaalsContact O-N 3.17Å; T300-S304 PolarHBondContact O-OG 3.06Å
301S81.4Confident68.2Low9 Ų949 Ų496%0.06329%0.291CS..Hα-helixtrans-71.5-41.2174.166.80000113.2T224 V297 L298 V299 W303 S304 E305T224-S301 VanDerWaalsContact CG2-OG 3.24Å; T224-S301 WeakPolarHBondContact CG2-OG 3.42Å; V297-S301 PolarHBondContact O-N 3.49Å; V297-S301 PolarHBondContact O-OG 2.9Å; L298-S301 PolarHBondContact O-OG 2.76Å; V299-S301 VanDerWaalsContact C-N 3.33Å; S301-W303 PolarHBondContact O-N 2.98Å; S301-S304 PolarHBondContact O-N 3.16Å; S301-S304 VanDerWaalsContact O-N 3.13Å; S301-E305 PolarHBondContact O-N 3.35Å
302E78.3Confident66Low8 Ų854.9 Ų54.94%0.03733%0.329CS..Hα-helixtrans-61.9-30.7175.2-69-63.2126.900111.5R228 L248 L298 V299 S306R228-E302 IonicContact CZ-OE1 3.85Å; R228-E302 IonicContact NE-OE1 3.67Å; R228-E302 IonicContact NH2-OE1 3.86Å; R228-E302 PolarHBondContact NH2-OE1 3.35Å; L248-E302 HydrophobicContact CB-CG 3.94Å; L298-E302 WeakPolarHBondContact O-CG 3.35Å; L298-E302 PolarHBondContact O-N 3.42Å; V299-E302 PolarHBondContact O-N 2.91Å; E302-S306 VanDerWaalsContact O-CB 3.27Å; E302-S306 WeakPolarHBondContact O-CB 3.43Å; E302-S306 PolarHBondContact O-N 3.25Å; E302-S306 PolarHBondContact O-OG 3.36Å
303W64Low63.4Low70 Ų7060.6 Ų60.627%0.26537%0.365SS..Hα-helixtrans-63.9-51.3170.4176.7-78.4000112.5S252 C255 Q256 V299 T300 S301 E305 S306 Q307S252-W303 WeakPolarHBondContact OG-CA 3.36Å; S252-W303 PolarHBondContact OG-N 3.05Å; C255-W303 HydrophobicContact CB-CE3 4.47Å; C255-W303 HydrophobicContact CB-CZ3 4.26Å; Q256-W303 VanDerWaalsContact CA-CH2 3.47Å; Q256-W303 HydrophobicContact CB-CE3 4.48Å; Q256-W303 HydrophobicContact CB-CH2 3.92Å; Q256-W303 HydrophobicContact CB-CZ3 3.67Å; Q256-W303 HydrophobicContact CG-CD2 4.31Å; Q256-W303 HydrophobicContact CG-CE3 3.43Å; Q256-W303 VanDerWaalsContact CG-CE3 3.43Å; Q256-W303 HydrophobicContact CG-CH2 3.46Å; Q256-W303 VanDerWaalsContact CG-CH2 3.46Å; Q256-W303 HydrophobicContact CG-CZ2 4.28Å; Q256-W303 HydrophobicContact CG-CZ3 3.03Å; Q256-W303 VanDerWaalsContact N-CZ3 3.32Å; V299-W303 PolarHBondContact O-N 3.09Å; T300-W303 WeakPolarHBondContact O-CB 3.35Å; T300-W303 PolarHBondContact O-N 3.2Å; S301-W303 PolarHBondContact O-N 2.98Å; W303-E305 VanDerWaalsContact C-N 3.3Å; W303-E305 PolarHBondContact O-N 3.21Å; W303-S306 CarbonylContact O-C 3.6Å; W303-S306 WeakPolarHBondContact O-CA 3.15Å; W303-S306 WeakPolarHBondContact O-CB 3.44Å; W303-S306 PolarHBondContact O-N 3.1Å; W303-Q307 VanDerWaalsContact NE1-CD 3.26Å; W303-Q307 PolarHBondContact O-N 3.38Å
304S61.5Low61Low63 Ų6360.4 Ų60.444%0.44138%0.381SS..Hα-helixtrans-62.1-38-178.5-63.90000112T300 S301 S306 Q307 A308T300-S304 PolarHBondContact O-N 3.33Å; T300-S304 VanDerWaalsContact O-N 3.17Å; T300-S304 PolarHBondContact O-OG 3.06Å; S301-S304 PolarHBondContact O-N 3.16Å; S301-S304 VanDerWaalsContact O-N 3.13Å; S304-S306 VanDerWaalsContact C-N 3.35Å; S304-Q307 PolarHBondContact O-N 2.89Å; S304-A308 WeakPolarHBondContact O-CB 3.36Å; S304-A308 PolarHBondContact O-N 2.89Å
305E57.4Low58.8Low109 Ų10968.5 Ų68.551%0.50942%0.424SS..Hα-helixtrans-68.4-32172.6-120.9169.1-165.800112.6R228 S301 W303R228-E305 IonicContact CZ-OE1 3.08Å; R228-E305 IonicContact CZ-OE2 3.24Å; R228-E305 VanDerWaalsContact CZ-OE2 3.29Å; R228-E305 VanDerWaalsContact NH1-CD 3.27Å; R228-E305 IonicContact NH1-OE1 3.82Å; R228-E305 PolarHBondContact NH1-OE1 2.92Å; R228-E305 IonicContact NH1-OE2 2.84Å; R228-E305 PolarHBondContact NH1-OE2 2.95Å; R228-E305 IonicContact NH2-OE1 3.98Å; R228-E305 IonicContact NH2-OE2 3.89Å; R228-E305 PolarHBondContact NH2-OE2 3.1Å; S301-E305 PolarHBondContact O-N 3.35Å; W303-E305 VanDerWaalsContact C-N 3.3Å; W303-E305 PolarHBondContact O-N 3.21Å
306S51.1Low56.3Low57 Ų5773.4 Ų73.440%0.39946%0.455SS..Hα-helixtrans-77-29.6175.9-62.80000113.4E302 W303 S304 A309E302-S306 VanDerWaalsContact O-CB 3.27Å; E302-S306 WeakPolarHBondContact O-CB 3.43Å; E302-S306 PolarHBondContact O-N 3.25Å; E302-S306 PolarHBondContact O-OG 3.36Å; W303-S306 CarbonylContact O-C 3.6Å; W303-S306 WeakPolarHBondContact O-CA 3.15Å; W303-S306 WeakPolarHBondContact O-CB 3.44Å; W303-S306 PolarHBondContact O-N 3.1Å; S304-S306 VanDerWaalsContact C-N 3.35Å; S306-A309 WeakPolarHBondContact O-CB 3.27Å
307Q44.3Very low53.7Low126 Ų12676.6 Ų76.659%0.58948%0.481SS*.Hα-helixtrans-87.1-16173-76.8-150.3-3.100114.3W303 S304 A309W303-Q307 VanDerWaalsContact NE1-CD 3.26Å; W303-Q307 PolarHBondContact O-N 3.38Å; S304-Q307 PolarHBondContact O-N 2.89Å; Q307-A309 CarbonylContact C-O 3.53Å; Q307-A309 CarbonylContact O-C 3.31Å; Q307-A309 PolarHBondContact O-N 3.26Å
308A38.7Very low51.1Low87 Ų8784.5 Ų84.572%0.71951%0.513SS*.SBendtrans-66.4-5.1163.800000112.3S304S304-A308 WeakPolarHBondContact O-CB 3.36Å; S304-A308 PolarHBondContact O-N 2.89Å
309A33.9Very low48.5Very low44 Ų4489.9 Ų89.936%0.36455%0.548SS..SBendtrans-80.9125.8155.900000109.7S306 Q307 A311S306-A309 WeakPolarHBondContact O-CB 3.27Å; Q307-A309 CarbonylContact C-O 3.53Å; Q307-A309 CarbonylContact O-C 3.31Å; Q307-A309 PolarHBondContact O-N 3.26Å; A309-A311 PolarHBondContact O-N 3.45Å
310P35.4Very low45.8Very low95 Ų9595.4 Ų95.462%0.61758%0.584SS**PPolyproline II helixtrans-63.5128.1-169.524.5-32.1000111.9P426P310-P426 HydrophobicContact CG-CB 4.35Å; P310-P426 HydrophobicContact CG-CG 4.44Å
311A31.1Very low43.7Very low80 Ų80102.2 Ų102.266%0.66161%0.608SS**PPolyproline II helixtrans-58.2150162.600000110.3A309 T313A309-A311 PolarHBondContact O-N 3.45Å; A311-T313 PolarHBondContact O-N 2.97Å
312P37.5Very low41.2Very low131 Ų131107.2 Ų107.285%0.85164%0.643SS**  trans-66.3103-179.627-32.1000109.5A314P312-A314 PolarHBondContact O-N 2.91Å
313T32Very low38.9Very low134 Ų134112.7 Ų112.782%0.82268%0.677SS**  trans-60.2124.2167.46.80000108.3A311 L315A311-T313 PolarHBondContact O-N 2.97Å; T313-L315 PolarHBondContact O-N 3.16Å
314A32.9Very low37.6Very low90 Ų90114.3 Ų114.374%0.74471%0.705SS**  trans-44.3139.7164.800000110.5P312 P316P312-A314 PolarHBondContact O-N 2.91Å; A314-P316 WeakPolarHBondContact O-CD 3.21Å
315L38.2Very low36Very low172 Ų172117.7 Ų117.790%0.90172%0.723SS**  trans-37.8117.4175.8-74.4156.1000112.3T313T313-L315 PolarHBondContact O-N 3.16Å
316P34.7Very low34.8Very low106 Ų106118 Ų11869%0.68873%0.733SS**  trans-80.6153153.828.3-19000109.2A314A314-P316 WeakPolarHBondContact O-CD 3.21Å
317P33Very low33.8Very low122 Ų122122.2 Ų122.279%0.79275%0.75SS**  trans-65.5149.6-171.428.7-34.3000111.5
318K30.7Very low33Very low197 Ų197123 Ų12386%0.85776%0.759SS**  trans-36.2127.5173.4-94.8174.5172.3169.40112
319P31.4Very low32.9Very low118 Ų118122.2 Ų122.277%0.76676%0.758SS**  trans-69.5142163.99.60.8000109.6
320P31Very low33.1Very low117 Ų117128.1 Ų128.176%0.7678%0.781SS**  trans-68.1150.6173.329.5-31.9000109.9S322P320-S322 PolarHBondContact O-N 3.32Å
321K40.2Very low33.5Very low212 Ų212130.5 Ų130.592%0.92279%0.788SS**  trans-50.3108.5171.8-67175.7177.2178.50109.4T323K321-T323 PolarHBondContact O-N 3.42Å
322S29Very low34.1Very low114 Ų114134.1 Ų134.180%0.79780%0.797SS**  trans-85.8112.2168.956.10000109P320P320-S322 PolarHBondContact O-N 3.32Å
323T28Very low34.6Very low123 Ų123135.8 Ų135.876%0.75580%0.798SS**  trans-41.6148.6165.841.30000114K321 V325K321-T323 PolarHBondContact O-N 3.42Å; T323-V325 PolarHBondContact O-N 3.02Å
324A38.2Very low36.1Very low103 Ų103133.8 Ų133.885%0.85178%0.781SS**  trans-44.1130.4169.900000112.3
325V27.6Very low37.9Very low135 Ų135132 Ų13282%0.81877%0.766SS**  trans-125.5119.9162.3-173.90000107.7T323T323-V325 PolarHBondContact O-N 3.02Å
326T32.5Very low39.8Very low116 Ų116125.4 Ų125.471%0.71273%0.731SS**  trans-70.1154.1177.335.70000113.7
327N28.5Very low41.7Very low144 Ų144127.3 Ų127.377%0.7773%0.731SS**  trans84.7132.3160-68.62.6000116.8
328N28.1Very low43.8Very low144 Ų144126.2 Ų126.277%0.7772%0.718SS**  cis-152.7132.825.4-98.5-19.6000112.7
329G37.3Very low46.2Very low69 Ų69116.9 Ų116.971%0.71168%0.678SS**  trans47.273.3135.600000122.7
330M37.6Very low48.6Very low168 Ų168114.4 Ų114.483%0.82866%0.656SS**  trans-137.2140.2142.8-93.790.2-152.300109.6N332M330-N332 PolarHBondContact O-N 3.42Å; M330-N332 PolarHBondContact O-OD1 3.21Å
331N43.9Very low51.3Low146 Ų146109.1 Ų109.178%0.78162%0.621SS**  trans-52.7100.3-169.3-83.8-19.3000114N333N331-N333 PolarHBondContact O-N 3.06Å
332N43.9Very low53.6Low156 Ų156100.5 Ų100.583%0.83458%0.583SS**THydrogen-bonded Turntrans-775.4172.1-72.1-21.9000113.8M330M330-N332 PolarHBondContact O-N 3.42Å; M330-N332 PolarHBondContact O-OD1 3.21Å
333N48.3Very low56.1Low165 Ų16596.6 Ų96.688%0.88255%0.551SS**THydrogen-bonded Turntrans-111.434.5179.1-75.4-20.2000112.4N331N331-N333 PolarHBondContact O-N 3.06Å
334M62.9Low58.8Low93 Ų9391.3 Ų91.346%0.45852%0.521SS..  trans-87.5123.3176.4-164.8172.4-175.900109.7D338M334-D338 HydrophobicContact CE-CB 4.07Å; M334-D338 WeakPolarHBondContact CE-O 3.35Å; M334-D338 HydrophobicContact CG-CB 4.29Å
335A70.2Confident60.8Low52 Ų5293.6 Ų93.643%0.4352%0.519SS..  trans-67.7143.8175.600000110Q337 D338A335-Q337 PolarHBondContact O-N 2.94Å; A335-Q337 VanDerWaalsContact O-N 3.15Å; A335-D338 PolarHBondContact O-N 3.34Å
336L78Confident63.4Low33 Ų3388 Ų8817%0.17348%0.484CS..G310 helixtrans-54.2-36.5-179.7-179.862.1000112.3D338 A339 W341 Y342 Y376 V409 V410L336-D338 VanDerWaalsContact C-N 3.27Å; L336-D338 PolarHBondContact O-N 2.86Å; L336-A339 WeakPolarHBondContact O-CB 3.4Å; L336-A339 PolarHBondContact O-N 3.47Å; L336-W341 HydrophobicContact CD1-CH2 3.66Å; L336-W341 HydrophobicContact CD1-CZ3 3.85Å; L336-Y342 HydrophobicContact CD1-CD2 3.9Å; L336-Y342 HydrophobicContact CD1-CE2 4.44Å; L336-Y342 HydrophobicContact CD1-CG 4.22Å; L336-Y342 HydrophobicContact CD2-CD2 4.25Å; L336-Y342 HydrophobicContact CD2-CE2 3.95Å; L336-Y342 HydrophobicContact CG-CD1 4.47Å; L336-Y342 HydrophobicContact CG-CD2 3.87Å; L336-Y342 HydrophobicContact CG-CE2 4Å; L336-Y342 HydrophobicContact CG-CG 4.13Å; L336-Y342 WeakPolarHBondContact O-CB 3.34Å; L336-Y342 WeakPolarHBondContact O-CD1 3.48Å; L336-Y376 HydrophobicContact CD2-CD1 4.3Å; L336-Y376 HydrophobicContact CD2-CE1 3.53Å; L336-Y376 HydrophobicContact CD2-CE2 4.05Å; L336-Y376 WeakPolarHBondContact CD2-OH 3.28Å; L336-V409 HydrophobicContact CD1-CB 3.95Å; L336-V409 HydrophobicContact CD1-CG1 3.91Å; L336-V409 HydrophobicContact CD2-CB 4.44Å; L336-V409 HydrophobicContact CD2-CG2 4.47Å; L336-V410 HydrophobicContact CB-CG2 4.42Å; L336-V410 HydrophobicContact CD1-CG2 4.12Å
337Q74.8Confident65.6Low146 Ų14684.3 Ų84.368%0.68246%0.463SS*.G310 helixtrans-66.4-27.6178.7-64.9-1688.600113.2A335 A339 Y342 K438A335-Q337 PolarHBondContact O-N 2.94Å; A335-Q337 VanDerWaalsContact O-N 3.15Å; Q337-A339 VanDerWaalsContact C-N 3.3Å; Q337-Y342 HydrophobicContact CG-CE1 4.44Å; Q337-K438 PolarHBondContact O-NZ 2.93Å
338D77.2Confident68Low99 Ų9984 Ų8453%0.52945%0.451SS..G310 helixtrans-82.2-13.5-179.9-63.6-33000112M334 A335 L336 E340M334-D338 HydrophobicContact CE-CB 4.07Å; M334-D338 WeakPolarHBondContact CE-O 3.35Å; M334-D338 HydrophobicContact CG-CB 4.29Å; A335-D338 PolarHBondContact O-N 3.34Å; L336-D338 VanDerWaalsContact C-N 3.27Å; L336-D338 PolarHBondContact O-N 2.86Å; D338-E340 PolarHBondContact O-N 2.97Å
339A82.3Confident70.4Confident1 Ų183 Ų831%0.00844%0.442CS..  trans-64.1133.5-177.900000111.9L336 Q337 W341 Y342L336-A339 WeakPolarHBondContact O-CB 3.4Å; L336-A339 PolarHBondContact O-N 3.47Å; Q337-A339 VanDerWaalsContact C-N 3.3Å; A339-W341 VanDerWaalsContact C-N 3.25Å; A339-W341 HydrophobicContact CB-CD2 4.06Å; A339-W341 HydrophobicContact CB-CE3 4.43Å; A339-W341 HydrophobicContact CB-CH2 4.13Å; A339-W341 HydrophobicContact CB-CZ2 3.74Å; A339-W341 HydrophobicContact CB-CZ3 4.45Å; A339-W341 PolarHBondContact O-N 2.66Å; A339-Y342 PolarHBondContact O-N 3.48Å
340E81.1Confident72.5Confident66 Ų6683.3 Ų83.331%0.30843%0.425SS..THydrogen-bonded Turntrans-61.6-32.1-178.960.2-176.9173.500113.1D338 R417 P435 S437 K438D338-E340 PolarHBondContact O-N 2.97Å; E340-R417 IonicContact OE1-NH1 2.82Å; E340-R417 PolarHBondContact OE1-NH1 3.1Å; E340-R417 IonicContact OE1-NH2 3.8Å; E340-P435 HydrophobicContact CG-CB 4.29Å; E340-P435 WeakPolarHBondContact OE1-CG 3.49Å; E340-S437 CarbonylContact O-C 3.57Å; E340-S437 VanDerWaalsContact O-CA 3.3Å; E340-S437 WeakPolarHBondContact O-CA 3.32Å; E340-K438 PolarHBondContact O-N 3.31Å
341W87.2Confident74.7Confident7 Ų775.4 Ų75.43%0.02739%0.386CS..THydrogen-bonded Turntrans-92.6-1.1-176.346.2-100.3000113.5L336 A339 F363 V365 V409 V410 I413 P435L336-W341 HydrophobicContact CD1-CH2 3.66Å; L336-W341 HydrophobicContact CD1-CZ3 3.85Å; A339-W341 VanDerWaalsContact C-N 3.25Å; A339-W341 HydrophobicContact CB-CD2 4.06Å; A339-W341 HydrophobicContact CB-CE3 4.43Å; A339-W341 HydrophobicContact CB-CH2 4.13Å; A339-W341 HydrophobicContact CB-CZ2 3.74Å; A339-W341 HydrophobicContact CB-CZ3 4.45Å; A339-W341 PolarHBondContact O-N 2.66Å; W341-F363 HydrophobicContact CB-CD2 4.48Å; W341-F363 HydrophobicContact CB-CE2 3.88Å; W341-F363 HydrophobicContact CB-CZ 4.42Å; W341-F363 HydrophobicContact CD2-CE2 4.3Å; W341-F363 AromaticContact CG-CE2 3.83Å; W341-F363 HydrophobicContact CG-CE2 3.83Å; W341-F363 HydrophobicContact CG-CZ 4.34Å; W341-V365 HydrophobicContact CE3-CB 3.59Å; W341-V365 HydrophobicContact CE3-CG2 3.41Å; W341-V365 VanDerWaalsContact CE3-CG2 3.41Å; W341-V365 HydrophobicContact CZ3-CB 3.6Å; W341-V365 HydrophobicContact CZ3-CG1 4.17Å; W341-V365 HydrophobicContact CZ3-CG2 3.44Å; W341-V365 VanDerWaalsContact CZ3-CG2 3.44Å; W341-V365 PolarHBondContact O-N 3.02Å; W341-V409 HydrophobicContact CH2-CG1 4.08Å; W341-V409 HydrophobicContact CZ3-CG1 4.26Å; W341-V410 HydrophobicContact CH2-CG2 4.24Å; W341-V410 HydrophobicContact CZ2-CG2 4.23Å; W341-I413 HydrophobicContact CD2-CG2 4.14Å; W341-I413 HydrophobicContact CE3-CG1 4.47Å; W341-I413 HydrophobicContact CH2-CB 4.02Å; W341-I413 HydrophobicContact CH2-CG1 3.7Å; W341-I413 HydrophobicContact CH2-CG2 4.32Å; W341-I413 HydrophobicContact CZ2-CB 3.8Å; W341-I413 HydrophobicContact CZ2-CG1 4.01Å; W341-I413 HydrophobicContact CZ2-CG2 3.78Å; W341-I413 HydrophobicContact CZ3-CG1 3.96Å; W341-P435 HydrophobicContact CB-CB 3.87Å; W341-P435 HydrophobicContact CG-CB 4.44Å
342Y88.5Confident76.6Confident30 Ų3070.9 Ų70.912%0.11836%0.362CS..BIsolated β-bridgetrans-93.4118.9179179-103.9000110.2L336 Q337 A339 V365 D367 Y376L336-Y342 HydrophobicContact CD1-CD2 3.9Å; L336-Y342 HydrophobicContact CD1-CE2 4.44Å; L336-Y342 HydrophobicContact CD1-CG 4.22Å; L336-Y342 HydrophobicContact CD2-CD2 4.25Å; L336-Y342 HydrophobicContact CD2-CE2 3.95Å; L336-Y342 HydrophobicContact CG-CD1 4.47Å; L336-Y342 HydrophobicContact CG-CD2 3.87Å; L336-Y342 HydrophobicContact CG-CE2 4Å; L336-Y342 HydrophobicContact CG-CG 4.13Å; L336-Y342 WeakPolarHBondContact O-CB 3.34Å; L336-Y342 WeakPolarHBondContact O-CD1 3.48Å; Q337-Y342 HydrophobicContact CG-CE1 4.44Å; A339-Y342 PolarHBondContact O-N 3.48Å; Y342-V365 WeakPolarHBondContact CA-O 3.45Å; Y342-V365 HydrophobicContact CD2-CG1 4.29Å; Y342-D367 WeakPolarHBondContact CE2-OD1 3.5Å; Y342-D367 PolarHBondContact OH-OD1 3.4Å; Y342-D367 PolarHBondContact OH-OD2 2.68Å; Y342-Y376 AromaticContact CE2-CD1 3.96Å; Y342-Y376 HydrophobicContact CE2-CD1 3.96Å; Y342-Y376 AromaticContact CE2-CE1 3.82Å; Y342-Y376 HydrophobicContact CE2-CE1 3.82Å
343W83.1Confident78.4Confident33 Ų3369 Ų6913%0.12535%0.348CS..  trans-109.97-174.2-75.577.3000113.8D345 I346 K354 V365 V436 K438W343-D345 PolarHBondContact O-N 2.97Å; W343-I346 HydrophobicContact CB-CB 4.1Å; W343-I346 HydrophobicContact CB-CD1 4.39Å; W343-I346 HydrophobicContact CB-CG2 3.54Å; W343-I346 HydrophobicContact CD2-CD1 4.17Å; W343-I346 HydrophobicContact CE3-CD1 3.7Å; W343-I346 HydrophobicContact CG-CD1 4.49Å; W343-I346 HydrophobicContact CZ3-CD1 4.43Å; W343-K354 HydrophobicContact CE3-CD 4.35Å; W343-K354 HydrophobicContact CH2-CD 3.97Å; W343-K354 HydrophobicContact CZ2-CD 4.14Å; W343-K354 HydrophobicContact CZ3-CD 4.07Å; W343-K354 VanDerWaalsContact CZ3-NZ 3.34Å; W343-V365 PolarHBondContact N-O 3.46Å; W343-V436 HydrophobicContact CZ2-CG1 3.87Å; W343-V436 PolarHBondContact NE1-O 3.34Å; W343-K438 HydrophobicContact CD2-CB 4.47Å; W343-K438 HydrophobicContact CH2-CB 4.46Å; W343-K438 VanDerWaalsContact CZ2-CA 3.46Å; W343-K438 HydrophobicContact CZ2-CB 4.21Å
344G84Confident79.9Confident12 Ų1263.7 Ų63.712%0.12432%0.317CS..THydrogen-bonded Turntrans60-131.3178.600000113I346 R366 D367G344-I346 PolarHBondContact O-N 3.24Å; G344-I346 VanDerWaalsContact O-N 3.16Å; G344-R366 CarbonylContact O-C 3.27Å; G344-R366 WeakPolarHBondContact O-CA 3.39Å; G344-R366 WeakPolarHBondContact O-CB 3.3Å; G344-D367 PolarHBondContact O-N 3.26Å
345D79.7Confident80.9Confident151 Ų15159.2 Ų59.281%0.80730%0.295SS*.THydrogen-bonded Turntrans-82.223.5-173.263.1-27.6000115.1W343W343-D345 PolarHBondContact O-N 2.97Å
346I81.3Confident81.3Confident16 Ų1663.9 Ų63.98%0.08230%0.302CS..  trans-57.1139.7177.5-168.5169.2000112.7W343 G344 E350 V351 K354 R366W343-I346 HydrophobicContact CB-CB 4.1Å; W343-I346 HydrophobicContact CB-CD1 4.39Å; W343-I346 HydrophobicContact CB-CG2 3.54Å; W343-I346 HydrophobicContact CD2-CD1 4.17Å; W343-I346 HydrophobicContact CE3-CD1 3.7Å; W343-I346 HydrophobicContact CG-CD1 4.49Å; W343-I346 HydrophobicContact CZ3-CD1 4.43Å; G344-I346 PolarHBondContact O-N 3.24Å; G344-I346 VanDerWaalsContact O-N 3.16Å; I346-E350 HydrophobicContact CD1-CB 3.89Å; I346-E350 HydrophobicContact CG1-CB 3.72Å; I346-E350 WeakPolarHBondContact CG1-OE2 3.48Å; I346-V351 HydrophobicContact CB-CG2 4.46Å; I346-V351 HydrophobicContact CD1-CG2 4.1Å; I346-V351 HydrophobicContact CG1-CG2 4.1Å; I346-V351 HydrophobicContact CG2-CG2 3.59Å; I346-K354 HydrophobicContact CD1-CD 3.93Å; I346-R366 HydrophobicContact CG2-CB 3.5Å; I346-R366 VanDerWaalsContact CG2-CB 3.5Å; I346-R366 HydrophobicContact CG2-CG 4.4Å; I346-R366 WeakPolarHBondContact O-CD 3.38Å
347S80.5Confident81.3Confident40 Ų4068.7 Ų68.728%0.2833%0.327SS..  trans-70.4159.8-178.968.30000112.9E349 E350 V351S347-E349 PolarHBondContact O-N 3.26Å; S347-E350 WeakPolarHBondContact CB-OE2 3.13Å; S347-E350 PolarHBondContact N-OE2 3.29Å; S347-E350 WeakPolarHBondContact OG-CB 3.48Å; S347-E350 WeakPolarHBondContact OG-CG 3.25Å; S347-E350 PolarHBondContact OG-N 3.5Å; S347-E350 PolarHBondContact OG-OE2 2.9Å; S347-V351 WeakPolarHBondContact O-CG2 3.3Å; S347-V351 PolarHBondContact O-N 2.79Å
348R77.8Confident81.7Confident137 Ų13763.8 Ų63.852%0.51731%0.308SS..Hα-helixtrans-64-35.9177.8178.1-176.9177-175.7-3.9111N352R348-N352 PolarHBondContact O-N 3.26Å; R348-N352 VanDerWaalsContact O-N 3.08Å; R348-N352 PolarHBondContact O-ND2 3.13Å
349E79.9Confident82.1Confident123 Ų12361.7 Ų61.758%0.57530%0.304SS*.Hα-helixtrans-65.8-49.8-177.9-64.963.9-137.300110.1S347 V351 N352 E353S347-E349 PolarHBondContact O-N 3.26Å; E349-V351 VanDerWaalsContact C-N 3.34Å; E349-V351 PolarHBondContact O-N 3.38Å; E349-N352 WeakPolarHBondContact O-CB 3.44Å; E349-N352 PolarHBondContact O-N 2.94Å; E349-N352 VanDerWaalsContact O-N 3.16Å; E349-E353 PolarHBondContact O-N 2.98Å
350E80.1Confident82.2Confident76 Ų7665 Ų6536%0.35532%0.322SS..Hα-helixtrans-63.5-38.3178-71.2166.5135.900112.5I346 S347 N352 E353 K354I346-E350 HydrophobicContact CD1-CB 3.89Å; I346-E350 HydrophobicContact CG1-CB 3.72Å; I346-E350 WeakPolarHBondContact CG1-OE2 3.48Å; S347-E350 WeakPolarHBondContact CB-OE2 3.13Å; S347-E350 PolarHBondContact N-OE2 3.29Å; S347-E350 WeakPolarHBondContact OG-CB 3.48Å; S347-E350 WeakPolarHBondContact OG-CG 3.25Å; S347-E350 PolarHBondContact OG-N 3.5Å; S347-E350 PolarHBondContact OG-OE2 2.9Å; E350-N352 VanDerWaalsContact C-N 3.35Å; E350-E353 PolarHBondContact O-N 3.36Å; E350-K354 WeakPolarHBondContact O-CG 3.5Å; E350-K354 PolarHBondContact O-N 2.97Å
351V84.2Confident82.3Confident2 Ų261.9 Ų61.91%0.01231%0.307CS..Hα-helixtrans-62.4-42.9174.4165.80000111.4I346 S347 E349 E353 K354 L355 L364 T379I346-V351 HydrophobicContact CB-CG2 4.46Å; I346-V351 HydrophobicContact CD1-CG2 4.1Å; I346-V351 HydrophobicContact CG1-CG2 4.1Å; I346-V351 HydrophobicContact CG2-CG2 3.59Å; S347-V351 WeakPolarHBondContact O-CG2 3.3Å; S347-V351 PolarHBondContact O-N 2.79Å; E349-V351 VanDerWaalsContact C-N 3.34Å; E349-V351 PolarHBondContact O-N 3.38Å; V351-E353 VanDerWaalsContact C-N 3.31Å; V351-E353 PolarHBondContact O-N 2.87Å; V351-K354 PolarHBondContact O-N 2.89Å; V351-L355 HydrophobicContact CG1-CD1 3.84Å; V351-L355 WeakPolarHBondContact O-CB 2.84Å; V351-L355 WeakPolarHBondContact O-CG 3.43Å; V351-L355 PolarHBondContact O-N 3.34Å; V351-L364 HydrophobicContact CB-CD1 4.33Å; V351-L364 HydrophobicContact CB-CD2 4.49Å; V351-L364 HydrophobicContact CG1-CD1 3.84Å; V351-L364 HydrophobicContact CG1-CD2 4.05Å; V351-L364 HydrophobicContact CG1-CG 4.19Å; V351-L364 HydrophobicContact CG2-CD1 3.55Å; V351-L364 HydrophobicContact CG2-CD2 4.19Å; V351-L364 HydrophobicContact CG2-CG 4.47Å; V351-T379 HydrophobicContact CG1-CG2 3.77Å
352N83.4Confident82.4Confident50 Ų5062.1 Ų62.127%0.26731%0.309SS..Hα-helixtrans-65-35.6177.3-81.4-27.5000112.4R348 E349 E350 R356 N386R348-N352 PolarHBondContact O-N 3.26Å; R348-N352 VanDerWaalsContact O-N 3.08Å; R348-N352 PolarHBondContact O-ND2 3.13Å; E349-N352 WeakPolarHBondContact O-CB 3.44Å; E349-N352 PolarHBondContact O-N 2.94Å; E349-N352 VanDerWaalsContact O-N 3.16Å; E350-N352 VanDerWaalsContact C-N 3.35Å; N352-R356 PolarHBondContact O-N 3.48Å; N352-N386 PolarHBondContact OD1-ND2 3.07Å
353E81.9Confident82.5Confident118 Ų11860.7 Ų60.755%0.55130%0.304SS*.Hα-helixtrans-68.3-45.3174-70.4-167131.700112.5E349 E350 V351 L355 R356E349-E353 PolarHBondContact O-N 2.98Å; E350-E353 PolarHBondContact O-N 3.36Å; V351-E353 VanDerWaalsContact C-N 3.31Å; V351-E353 PolarHBondContact O-N 2.87Å; E353-L355 VanDerWaalsContact C-N 3.27Å; E353-L355 PolarHBondContact O-N 3.23Å; E353-R356 VanDerWaalsContact O-CB 3.25Å; E353-R356 WeakPolarHBondContact O-CB 3.12Å; E353-R356 PolarHBondContact O-N 3.37Å; E353-R356 VanDerWaalsContact O-N 3.1Å
354K80.8Confident82.9Confident52 Ų5259.1 Ų59.123%0.22630%0.298CS..Hα-helixtrans-64-32.9178.1-74.3179.1-175.3-71.40113W343 I346 E350 V351W343-K354 HydrophobicContact CE3-CD 4.35Å; W343-K354 HydrophobicContact CH2-CD 3.97Å; W343-K354 HydrophobicContact CZ2-CD 4.14Å; W343-K354 HydrophobicContact CZ3-CD 4.07Å; W343-K354 VanDerWaalsContact CZ3-NZ 3.34Å; I346-K354 HydrophobicContact CD1-CD 3.93Å; E350-K354 WeakPolarHBondContact O-CG 3.5Å; E350-K354 PolarHBondContact O-N 2.97Å; V351-K354 PolarHBondContact O-N 2.89Å
355L82.3Confident83.2Confident0 Ų058.6 Ų58.60%029%0.292CS..THydrogen-bonded Turntrans-90.48.1176.5-67.3173.5000112.9V351 E353 T358 T362 L364 T379 R381 V436V351-L355 HydrophobicContact CG1-CD1 3.84Å; V351-L355 WeakPolarHBondContact O-CB 2.84Å; V351-L355 WeakPolarHBondContact O-CG 3.43Å; V351-L355 PolarHBondContact O-N 3.34Å; E353-L355 VanDerWaalsContact C-N 3.27Å; E353-L355 PolarHBondContact O-N 3.23Å; L355-T358 PolarHBondContact O-OG1 3.14Å; L355-T362 HydrophobicContact CD2-CG2 3.49Å; L355-T362 VanDerWaalsContact CD2-CG2 3.49Å; L355-L364 HydrophobicContact CD1-CD2 4.29Å; L355-L364 HydrophobicContact CD1-CG 4.42Å; L355-L364 HydrophobicContact CG-CD2 4.18Å; L355-T379 HydrophobicContact CD1-CG2 3.42Å; L355-T379 VanDerWaalsContact CD1-CG2 3.42Å; L355-R381 WeakPolarHBondContact O-CD 3.48Å; L355-R381 PolarHBondContact O-NH1 3.19Å; L355-V436 HydrophobicContact CD2-CG2 3.66Å
356R79.1Confident83.7Confident150 Ų15051.9 Ų51.957%0.56626%0.255SS*.THydrogen-bonded Turntrans-75.1140.6177.4-164.2-176.2-58.1-96.60.8110.7N352 E353 T358N352-R356 PolarHBondContact O-N 3.48Å; E353-R356 VanDerWaalsContact O-CB 3.25Å; E353-R356 WeakPolarHBondContact O-CB 3.12Å; E353-R356 PolarHBondContact O-N 3.37Å; E353-R356 VanDerWaalsContact O-N 3.1Å; R356-T358 PolarHBondContact O-N 3.34Å
357D79.1Confident83.9Confident134 Ų13453.6 Ų53.672%0.71727%0.265SS*.THydrogen-bonded Turntrans49.822.7-177.5-49.9-35.1000117.1
358T83.1Confident83.9Confident43 Ų4352.5 Ų52.526%0.26426%0.258SS..PPolyproline II helixtrans-87.4168.5176.355.40000112.6L355 R356 T362 R381L355-T358 PolarHBondContact O-OG1 3.14Å; R356-T358 PolarHBondContact O-N 3.34Å; T358-T362 HydrophobicContact CG2-CG2 4.37Å; T358-R381 VanDerWaalsContact O-CD 3.29Å; T358-R381 WeakPolarHBondContact O-CD 3.35Å; T358-R381 PolarHBondContact O-NE 2.84Å; T358-R381 PolarHBondContact O-NH2 3.28Å; T358-R381 WeakPolarHBondContact OG1-CD 3.27Å
359A83.9Confident83.6Confident55 Ų5550.9 Ų50.946%0.45527%0.267SS..PPolyproline II helixtrans-73.1158.8178.300000111.7T362 Y434A359-T362 WeakPolarHBondContact O-CB 3.45Å; A359-T362 PolarHBondContact O-N 3.4Å; A359-T362 PolarHBondContact O-OG1 3.09Å; A359-Y434 HydrophobicContact CB-CD2 4.21Å; A359-Y434 HydrophobicContact CB-CE2 4.01Å
360D84.8Confident82.9Confident71 Ų7148.3 Ų48.338%0.3826%0.26SS..THydrogen-bonded Turntrans-64.8137.9171.1-78.44.8000110.2G383 G384D360-G383 PolarHBondContact OD1-N 3.29Å; D360-G383 WeakPolarHBondContact OD2-CA 3.24Å; D360-G383 PolarHBondContact OD2-N 2.97Å; D360-G384 PolarHBondContact OD1-N 3.37Å
361G82.8Confident81.8Confident0 Ų054.6 Ų54.60%029%0.287CS..THydrogen-bonded Turntrans92.50.1-17300000114.3R381 L433 Y434G361-R381 PolarHBondContact N-O 2.98Å; G361-L433 PolarHBondContact O-N 2.94Å; G361-L433 VanDerWaalsContact O-N 3.1Å; G361-Y434 PolarHBondContact O-N 2.94Å
362T89.6Confident80.6Confident12 Ų1261.3 Ų61.37%0.07432%0.319CS..EExtended strand (participates in β ladder)trans-73.2130170.4-56.60000111.4L355 T358 A359 R381 Y434 V436L355-T362 HydrophobicContact CD2-CG2 3.49Å; L355-T362 VanDerWaalsContact CD2-CG2 3.49Å; T358-T362 HydrophobicContact CG2-CG2 4.37Å; A359-T362 WeakPolarHBondContact O-CB 3.45Å; A359-T362 PolarHBondContact O-N 3.4Å; A359-T362 PolarHBondContact O-OG1 3.09Å; T362-R381 PolarHBondContact O-N 3.5Å; T362-Y434 CarbonylContact C-O 3.49Å; T362-Y434 VanDerWaalsContact CA-O 3.24Å; T362-Y434 WeakPolarHBondContact CA-O 3.49Å; T362-V436 HydrophobicContact CG2-CG2 3.33Å
363F91.6Very high79.2Confident0 Ų068 Ų680%035%0.348CS..EExtended strand (participates in β ladder)trans-145.3158.2-173.575.7-82000114.5W341 L378 T379 L380 I413 L432 Y434 P435 V436W341-F363 HydrophobicContact CB-CD2 4.48Å; W341-F363 HydrophobicContact CB-CE2 3.88Å; W341-F363 HydrophobicContact CB-CZ 4.42Å; W341-F363 HydrophobicContact CD2-CE2 4.3Å; W341-F363 AromaticContact CG-CE2 3.83Å; W341-F363 HydrophobicContact CG-CE2 3.83Å; W341-F363 HydrophobicContact CG-CZ 4.34Å; F363-L378 HydrophobicContact CB-CD1 4.11Å; F363-L378 HydrophobicContact CD2-CD1 3.85Å; F363-L378 HydrophobicContact CG-CD1 4.41Å; F363-T379 WeakPolarHBondContact CA-O 3.35Å; F363-L380 HydrophobicContact CB-CD1 3.96Å; F363-I413 HydrophobicContact CE2-CG2 3.7Å; F363-I413 HydrophobicContact CZ-CG2 4.12Å; F363-L432 HydrophobicContact CB-CD2 3.85Å; F363-L432 HydrophobicContact CD1-CB 3.69Å; F363-L432 HydrophobicContact CD1-CD2 4.03Å; F363-L432 HydrophobicContact CD1-CG 4.41Å; F363-L432 HydrophobicContact CD2-CB 4.43Å; F363-L432 HydrophobicContact CD2-CD1 4.34Å; F363-L432 HydrophobicContact CD2-CD2 4.12Å; F363-L432 HydrophobicContact CE1-CB 3.55Å; F363-L432 WeakPolarHBondContact CE1-O 3.45Å; F363-L432 HydrophobicContact CE2-CB 4.31Å; F363-L432 HydrophobicContact CE2-CD1 4.3Å; F363-L432 HydrophobicContact CG-CB 4.14Å; F363-L432 HydrophobicContact CG-CD2 3.73Å; F363-L432 HydrophobicContact CG-CG 4.39Å; F363-L432 HydrophobicContact CZ-CB 3.87Å; F363-Y434 PolarHBondContact N-O 3.48Å; F363-P435 HydrophobicContact CE1-CB 3.89Å; F363-P435 HydrophobicContact CE1-CG 4.5Å; F363-P435 HydrophobicContact CE2-CB 4.44Å; F363-P435 HydrophobicContact CZ-CB 3.75Å; F363-V436 PolarHBondContact O-N 2.84Å
364L90.4Very high78.3Confident0 Ų063.3 Ų63.30%033%0.332CS..EExtended strand (participates in β ladder)trans-151.3158.2168.964.886.4000111.5V351 L355 T379 V436V351-L364 HydrophobicContact CB-CD1 4.33Å; V351-L364 HydrophobicContact CB-CD2 4.49Å; V351-L364 HydrophobicContact CG1-CD1 3.84Å; V351-L364 HydrophobicContact CG1-CD2 4.05Å; V351-L364 HydrophobicContact CG1-CG 4.19Å; V351-L364 HydrophobicContact CG2-CD1 3.55Å; V351-L364 HydrophobicContact CG2-CD2 4.19Å; V351-L364 HydrophobicContact CG2-CG 4.47Å; L355-L364 HydrophobicContact CD1-CD2 4.29Å; L355-L364 HydrophobicContact CD1-CG 4.42Å; L355-L364 HydrophobicContact CG-CD2 4.18Å; L364-T379 PolarHBondContact N-O 3.02Å; L364-T379 PolarHBondContact O-N 3.21Å; L364-V436 HydrophobicContact CB-CB 4.2Å; L364-V436 HydrophobicContact CD2-CB 4.23Å; L364-V436 HydrophobicContact CD2-CG1 4.42Å; L364-V436 HydrophobicContact CD2-CG2 4.32Å
365V91Very high78.1Confident0 Ų062 Ų620%033%0.328CS..EExtended strand (participates in β ladder)trans-116136.2175.3-178.40000110W341 Y342 W343 T377 L378 I391 V409 I413W341-V365 HydrophobicContact CE3-CB 3.59Å; W341-V365 HydrophobicContact CE3-CG2 3.41Å; W341-V365 VanDerWaalsContact CE3-CG2 3.41Å; W341-V365 HydrophobicContact CZ3-CB 3.6Å; W341-V365 HydrophobicContact CZ3-CG1 4.17Å; W341-V365 HydrophobicContact CZ3-CG2 3.44Å; W341-V365 VanDerWaalsContact CZ3-CG2 3.44Å; W341-V365 PolarHBondContact O-N 3.02Å; Y342-V365 WeakPolarHBondContact CA-O 3.45Å; Y342-V365 HydrophobicContact CD2-CG1 4.29Å; W343-V365 PolarHBondContact N-O 3.46Å; V365-T377 WeakPolarHBondContact CA-O 3.45Å; V365-L378 HydrophobicContact CG2-CB 4.34Å; V365-L378 HydrophobicContact CG2-CD1 3.77Å; V365-I391 HydrophobicContact CG1-CD1 4.25Å; V365-V409 HydrophobicContact CG1-CG1 4.5Å; V365-I413 HydrophobicContact CG2-CD1 3.8Å; V365-I413 HydrophobicContact CG2-CG1 4.16Å
366R89.1Confident78.4Confident11 Ų1163.9 Ų63.94%0.04234%0.335CS..EExtended strand (participates in β ladder)trans-131.8167.9175.865.5168177.194.2-6.2111.3G344 I346 S369 Y376 T377G344-R366 CarbonylContact O-C 3.27Å; G344-R366 WeakPolarHBondContact O-CA 3.39Å; G344-R366 WeakPolarHBondContact O-CB 3.3Å; I346-R366 HydrophobicContact CG2-CB 3.5Å; I346-R366 VanDerWaalsContact CG2-CB 3.5Å; I346-R366 HydrophobicContact CG2-CG 4.4Å; I346-R366 WeakPolarHBondContact O-CD 3.38Å; R366-S369 PolarHBondContact NH1-OG 3.48Å; R366-S369 VanDerWaalsContact NH1-OG 3.15Å; R366-Y376 WeakPolarHBondContact O-CA 3.4Å; R366-T377 PolarHBondContact N-O 3.31Å; R366-T377 PolarHBondContact O-N 2.97Å
367D85.9Confident78.8Confident52 Ų5257.4 Ų57.428%0.27831%0.313SS..EExtended strand (participates in β ladder)trans-68.7141.7172.3-63.8-15.9000109.8Y342 G344 Y376Y342-D367 WeakPolarHBondContact CE2-OD1 3.5Å; Y342-D367 PolarHBondContact OH-OD1 3.4Å; Y342-D367 PolarHBondContact OH-OD2 2.68Å; G344-D367 PolarHBondContact O-N 3.26Å; D367-Y376 WeakPolarHBondContact OD1-CD1 3.42Å; D367-Y376 WeakPolarHBondContact OD1-CE1 3.45Å
368A81.1Confident79.3Confident17 Ų1751 Ų5114%0.1428%0.278CS..  trans-68142.5175.400000110.2T370 D375A368-T370 PolarHBondContact O-N 3.42Å; A368-T370 VanDerWaalsContact O-N 3.09Å; A368-D375 HydrophobicContact CB-CB 3.66Å; A368-D375 WeakPolarHBondContact CB-O 3.44Å; A368-D375 PolarHBondContact N-O 3.21Å
369S71.6Confident79.7Confident102 Ų10249.1 Ų49.171%0.71327%0.266SS*.SBendtrans-66.3-12179.4-43.80000113.1R366R366-S369 PolarHBondContact NH1-OG 3.48Å; R366-S369 VanDerWaalsContact NH1-OG 3.15Å
370T66.1Low80Confident69 Ų6946.5 Ų46.542%0.42325%0.245SC..SBendtrans-81.4131.3176.646.50000110.4A368 M372A368-T370 PolarHBondContact O-N 3.42Å; A368-T370 VanDerWaalsContact O-N 3.09Å; T370-M372 PolarHBondContact O-N 2.7Å
371K56.3Low80.2Confident209 Ų20944.4 Ų44.491%0.90923%0.232SC*.SBendtrans-62.58.3179.3-70.5-170.8178-176.80115.8H373K371-H373 PolarHBondContact O-N 3.44Å
372M57.9Low80.3Confident142 Ų14246 Ų4670%0.724%0.239SC*.SBendtrans-79.8114.6175.5-64.2-62.6179.900109T370 G374T370-M372 PolarHBondContact O-N 2.7Å; M372-G374 PolarHBondContact O-N 3.3Å
373H55.7Low79.8Confident190 Ų19048 Ų4888%0.8826%0.261SS*.THydrogen-bonded Turntrans-63121179.7-69.1-3.3000111K371K371-H373 PolarHBondContact O-N 3.44Å
374G63Low79.3Confident21 Ų2150 Ų5022%0.21628%0.282CS..THydrogen-bonded Turntrans111.9-3.8173.200000116.3M372 Y376 H393M372-G374 PolarHBondContact O-N 3.3Å; G374-Y376 WeakPolarHBondContact O-CD2 3.25Å; G374-Y376 WeakPolarHBondContact O-CE2 3.36Å; G374-H393 VanDerWaalsContact O-CB 3.23Å; G374-H393 WeakPolarHBondContact O-CB 3.42Å
375D76.9Confident78.9Confident25 Ų2554.8 Ų54.813%0.13431%0.307CS..  trans-86.4129.2172.5-79.6-13.7000110.6A368 K390A368-D375 HydrophobicContact CB-CB 3.66Å; A368-D375 WeakPolarHBondContact CB-O 3.44Å; A368-D375 PolarHBondContact N-O 3.21Å; D375-K390 VanDerWaalsContact CG-CE 3.47Å; D375-K390 WeakPolarHBondContact OD2-CE 3.43Å; D375-K390 IonicContact OD2-NZ 2.86Å; D375-K390 PolarHBondContact OD2-NZ 3.02Å
376Y86.9Confident78.8Confident38 Ų3856.6 Ų56.615%0.14932%0.317CS..EExtended strand (participates in β ladder)trans-116.8157.8177-57.9-83.3000110.7L336 Y342 R366 D367 G374 I391 Y398 V409L336-Y376 HydrophobicContact CD2-CD1 4.3Å; L336-Y376 HydrophobicContact CD2-CE1 3.53Å; L336-Y376 HydrophobicContact CD2-CE2 4.05Å; L336-Y376 WeakPolarHBondContact CD2-OH 3.28Å; Y342-Y376 AromaticContact CE2-CD1 3.96Å; Y342-Y376 HydrophobicContact CE2-CD1 3.96Å; Y342-Y376 AromaticContact CE2-CE1 3.82Å; Y342-Y376 HydrophobicContact CE2-CE1 3.82Å; R366-Y376 WeakPolarHBondContact O-CA 3.4Å; D367-Y376 WeakPolarHBondContact OD1-CD1 3.42Å; D367-Y376 WeakPolarHBondContact OD1-CE1 3.45Å; G374-Y376 WeakPolarHBondContact O-CD2 3.25Å; G374-Y376 WeakPolarHBondContact O-CE2 3.36Å; Y376-I391 PolarHBondContact N-O 3.29Å; Y376-I391 PolarHBondContact O-N 3.05Å; Y376-Y398 HydrophobicContact CD2-CE1 4.42Å; Y376-Y398 HydrophobicContact CE2-CE1 4.02Å; Y376-V409 HydrophobicContact CD2-CG2 3.6Å; Y376-V409 HydrophobicContact CE2-CG2 3.73Å; Y376-V409 HydrophobicContact CG-CG2 4.4Å
377T88.4Confident78.6Confident15 Ų1560.5 Ų60.59%0.09233%0.334CS..EExtended strand (participates in β ladder)trans-122118.6175-54.20000109.9V365 R366 L388V365-T377 WeakPolarHBondContact CA-O 3.45Å; R366-T377 PolarHBondContact N-O 3.31Å; R366-T377 PolarHBondContact O-N 2.97Å; T377-L388 HydrophobicContact CG2-CB 4.33Å; T377-L388 HydrophobicContact CG2-CD2 4.45Å
378L90.1Very high78.6Confident0 Ų061.8 Ų61.80%034%0.341CS..EExtended strand (participates in β ladder)trans-87.8124.4169.5170.165.5000108.7F363 V365 I389 I391 F400 I413 L432F363-L378 HydrophobicContact CB-CD1 4.11Å; F363-L378 HydrophobicContact CD2-CD1 3.85Å; F363-L378 HydrophobicContact CG-CD1 4.41Å; V365-L378 HydrophobicContact CG2-CB 4.34Å; V365-L378 HydrophobicContact CG2-CD1 3.77Å; L378-I389 HydrophobicContact CB-CB 4.3Å; L378-I389 HydrophobicContact CD2-CD1 4.2Å; L378-I389 PolarHBondContact N-O 3.28Å; L378-I389 PolarHBondContact O-N 3.18Å; L378-I391 HydrophobicContact CB-CD1 4.09Å; L378-I391 HydrophobicContact CB-CG1 4.41Å; L378-F400 HydrophobicContact CD2-CE1 3.77Å; L378-F400 HydrophobicContact CD2-CZ 3.61Å; L378-I413 HydrophobicContact CD1-CD1 3.92Å; L378-I413 HydrophobicContact CD2-CD1 4.04Å; L378-I413 HydrophobicContact CG-CD1 4.5Å; L378-L432 HydrophobicContact CD1-CD2 4.36Å; L378-L432 HydrophobicContact CD2-CD1 4.37Å; L378-L432 HydrophobicContact CD2-CD2 4.26Å
379T90.4Very high78.9Confident2 Ų261.3 Ų61.31%0.01234%0.336CS..EExtended strand (participates in β ladder)trans-109.2122.8171.9-48.90000109.1V351 L355 F363 L364 N386 K387 L388V351-T379 HydrophobicContact CG1-CG2 3.77Å; L355-T379 HydrophobicContact CD1-CG2 3.42Å; L355-T379 VanDerWaalsContact CD1-CG2 3.42Å; F363-T379 WeakPolarHBondContact CA-O 3.35Å; L364-T379 PolarHBondContact N-O 3.02Å; L364-T379 PolarHBondContact O-N 3.21Å; T379-N386 HydrophobicContact CG2-CB 4.04Å; T379-K387 WeakPolarHBondContact CA-O 3.34Å; T379-L388 HydrophobicContact CG2-CG 4.38Å
380L90.4Very high79.6Confident0 Ų060.1 Ų60.10%032%0.318CS..EExtended strand (participates in β ladder)trans-123.4134.5-177.3171.767.9000110.3F363 K387 L421 L432F363-L380 HydrophobicContact CB-CD1 3.96Å; L380-K387 PolarHBondContact N-O 3.47Å; L380-K387 PolarHBondContact O-N 3.31Å; L380-L421 HydrophobicContact CD2-CD1 3.36Å; L380-L432 HydrophobicContact CD1-CD2 3.9Å; L380-L432 HydrophobicContact CD2-CD2 4.44Å
381R89.3Confident80.6Confident28 Ų2856.8 Ų56.811%0.10630%0.298CS..EExtended strand (participates in β ladder)trans-86.9128.6172-172169.7174.2128.2-9.5111.7L355 T358 G361 T362 N385L355-R381 WeakPolarHBondContact O-CD 3.48Å; L355-R381 PolarHBondContact O-NH1 3.19Å; T358-R381 VanDerWaalsContact O-CD 3.29Å; T358-R381 WeakPolarHBondContact O-CD 3.35Å; T358-R381 PolarHBondContact O-NE 2.84Å; T358-R381 PolarHBondContact O-NH2 3.28Å; T358-R381 WeakPolarHBondContact OG1-CD 3.27Å; G361-R381 PolarHBondContact N-O 2.98Å; T362-R381 PolarHBondContact O-N 3.5Å; R381-N385 WeakPolarHBondContact CA-O 3.33Å
382K84.3Confident81.9Confident34 Ų3450.7 Ų50.715%0.14827%0.271CS..EExtended strand (participates in β ladder)trans-149.7130.7175.1179.2175.8-177.1179.70111.4G384 N385 K427 L428 D429 V430K382-G384 PolarHBondContact O-N 3.04Å; K382-N385 PolarHBondContact N-O 3.13Å; K382-N385 PolarHBondContact O-N 3.4Å; K382-N385 VanDerWaalsContact O-N 3.08Å; K382-K427 WeakPolarHBondContact CE-O 3.28Å; K382-K427 PolarHBondContact NZ-O 2.7Å; K382-L428 HydrophobicContact CD-CD2 3.91Å; K382-D429 VanDerWaalsContact CE-OD1 3.27Å; K382-D429 WeakPolarHBondContact CE-OD1 3.44Å; K382-D429 IonicContact NZ-OD1 3.37Å; K382-D429 PolarHBondContact NZ-OD1 3.42Å; K382-V430 HydrophobicContact CB-CG2 4.49Å; K382-V430 HydrophobicContact CD-CB 4.38Å; K382-V430 HydrophobicContact CD-CG2 3.72Å; K382-V430 HydrophobicContact CG-CG2 3.86Å
383G80.4Confident83Confident53 Ų5347 Ų4755%0.54625%0.252SS..THydrogen-bonded Turntrans5838.4179.700000111.9D360 N385D360-G383 PolarHBondContact OD1-N 3.29Å; D360-G383 WeakPolarHBondContact OD2-CA 3.24Å; D360-G383 PolarHBondContact OD2-N 2.97Å; G383-N385 PolarHBondContact O-N 3.01Å; G383-N385 PolarHBondContact O-ND2 3.17Å
384G79.3Confident84.1Confident42 Ų4245.3 Ų45.343%0.43324%0.238SC..THydrogen-bonded Turntrans71.42-176.500000115.9D360 K382D360-G384 PolarHBondContact OD1-N 3.37Å; K382-G384 PolarHBondContact O-N 3.04Å
385N83.6Confident84.7Confident100 Ų10052.1 Ų52.154%0.53527%0.27SS..EExtended strand (participates in β ladder)trans-113.9146.4-179.7-71.1-74.1000111.9R381 K382 G383R381-N385 WeakPolarHBondContact CA-O 3.33Å; K382-N385 PolarHBondContact N-O 3.13Å; K382-N385 PolarHBondContact O-N 3.4Å; K382-N385 VanDerWaalsContact O-N 3.08Å; G383-N385 PolarHBondContact O-N 3.01Å; G383-N385 PolarHBondContact O-ND2 3.17Å
386N87.6Confident84.5Confident38 Ų3853 Ų5320%0.20328%0.284CS..EExtended strand (participates in β ladder)trans-85.5122.5173.1-64.4-18.3000110N352 T379N352-N386 PolarHBondContact OD1-ND2 3.07Å; T379-N386 HydrophobicContact CG2-CB 4.04Å
387K86.6Confident84.3Confident93 Ų9356.4 Ų56.440%0.40430%0.299SS..EExtended strand (participates in β ladder)trans-103.1120175.9-60.5-62.4-177.1-171.80108.7T379 L380 L428T379-K387 WeakPolarHBondContact CA-O 3.34Å; L380-K387 PolarHBondContact N-O 3.47Å; L380-K387 PolarHBondContact O-N 3.31Å; K387-L428 HydrophobicContact CB-CD2 4.31Å; K387-L428 HydrophobicContact CG-CD2 3.89Å
388L85.8Confident84Confident79 Ų7957.6 Ų57.641%0.41430%0.303SS..EExtended strand (participates in β ladder)trans-93.5125.3176.6-68.880.6000108.5T377 T379T377-L388 HydrophobicContact CG2-CB 4.33Å; T377-L388 HydrophobicContact CG2-CD2 4.45Å; T379-L388 HydrophobicContact CG2-CG 4.38Å
389I87.3Confident83.7Confident8 Ų857.8 Ų57.84%0.04130%0.304CS..EExtended strand (participates in β ladder)trans-122.4121-179.1-55.6170.4000107.3L378 F400 Y424 L428L378-I389 HydrophobicContact CB-CB 4.3Å; L378-I389 HydrophobicContact CD2-CD1 4.2Å; L378-I389 PolarHBondContact N-O 3.28Å; L378-I389 PolarHBondContact O-N 3.18Å; I389-F400 HydrophobicContact CG2-CB 4.3Å; I389-F400 HydrophobicContact CG2-CD1 3.38Å; I389-F400 HydrophobicContact CG2-CE1 3.76Å; I389-F400 HydrophobicContact CG2-CG 3.91Å; I389-Y424 HydrophobicContact CG2-CE1 4.06Å; I389-L428 HydrophobicContact CD1-CD1 3.84Å; I389-L428 HydrophobicContact CG1-CD1 4.44Å
390K85.8Confident83.2Confident76 Ų7658 Ų5833%0.3331%0.305SS..EExtended strand (participates in β ladder)trans-78.2131.2175.8-173.6169.5177.5173.80109.6D375 F392D375-K390 VanDerWaalsContact CG-CE 3.47Å; D375-K390 WeakPolarHBondContact OD2-CE 3.43Å; D375-K390 IonicContact OD2-NZ 2.86Å; D375-K390 PolarHBondContact OD2-NZ 3.02Å; K390-F392 HydrophobicContact CB-CE2 4.25Å; K390-F392 HydrophobicContact CB-CZ 4.34Å; K390-F392 HydrophobicContact CD-CD1 4.28Å; K390-F392 HydrophobicContact CD-CE1 3.71Å; K390-F392 HydrophobicContact CD-CE2 4.46Å; K390-F392 HydrophobicContact CD-CZ 3.81Å; K390-F392 HydrophobicContact CG-CE1 4.25Å; K390-F392 HydrophobicContact CG-CE2 4.28Å; K390-F392 HydrophobicContact CG-CZ 4.13Å
391I87.4Confident82.4Confident0 Ų061 Ų610%033%0.327CS..EExtended strand (participates in β ladder)trans-97117.3170.1-60168.6000106.6V365 Y376 L378 Y398 F400 V409 L412V365-I391 HydrophobicContact CG1-CD1 4.25Å; Y376-I391 PolarHBondContact N-O 3.29Å; Y376-I391 PolarHBondContact O-N 3.05Å; L378-I391 HydrophobicContact CB-CD1 4.09Å; L378-I391 HydrophobicContact CB-CG1 4.41Å; I391-Y398 HydrophobicContact CG2-CD1 4.32Å; I391-F400 HydrophobicContact CD1-CE1 4.36Å; I391-F400 HydrophobicContact CG1-CD1 4Å; I391-F400 HydrophobicContact CG1-CE1 3.7Å; I391-V409 HydrophobicContact CD1-CG1 4.05Å; I391-V409 HydrophobicContact CG2-CG2 4.44Å; I391-L412 HydrophobicContact CD1-CD2 4.15Å; I391-L412 HydrophobicContact CG1-CD2 4.06Å; I391-L412 HydrophobicContact CG2-CD2 3.76Å
392F82.2Confident81.5Confident81 Ų8165.7 Ų65.736%0.35535%0.354SS..EExtended strand (participates in β ladder)trans-89.3144.4178.4-66.8-83.8000110.7K390 Y398 G399 F400 L404K390-F392 HydrophobicContact CB-CE2 4.25Å; K390-F392 HydrophobicContact CB-CZ 4.34Å; K390-F392 HydrophobicContact CD-CD1 4.28Å; K390-F392 HydrophobicContact CD-CE1 3.71Å; K390-F392 HydrophobicContact CD-CE2 4.46Å; K390-F392 HydrophobicContact CD-CZ 3.81Å; K390-F392 HydrophobicContact CG-CE1 4.25Å; K390-F392 HydrophobicContact CG-CE2 4.28Å; K390-F392 HydrophobicContact CG-CZ 4.13Å; F392-Y398 WeakPolarHBondContact O-CA 3.49Å; F392-G399 PolarHBondContact N-O 3.45Å; F392-G399 PolarHBondContact O-N 3.44Å; F392-F400 WeakPolarHBondContact CD2-O 3.36Å; F392-F400 WeakPolarHBondContact CE2-O 3.45Å; F392-L404 HydrophobicContact CB-CD2 4.1Å
393H81.7Confident80.6Confident63 Ų6368.7 Ų68.729%0.29238%0.377SS..EExtended strand (participates in β ladder)trans-121.2121.6174.1171.6-111.8000110.5G374 K397 Y398G374-H393 VanDerWaalsContact O-CB 3.23Å; G374-H393 WeakPolarHBondContact O-CB 3.42Å; H393-K397 WeakPolarHBondContact CA-O 3.3Å; H393-Y398 HydrophobicContact CB-CD1 4.06Å; H393-Y398 HydrophobicContact CB-CE1 3.86Å; H393-Y398 AromaticContact CD2-CE1 3.43Å; H393-Y398 VanDerWaalsContact CD2-CE1 3.43Å; H393-Y398 WeakPolarHBondContact CD2-CE1 3.49Å; H393-Y398 AromaticContact CD2-CE2 3.98Å; H393-Y398 AromaticContact CD2-CZ 3.41Å; H393-Y398 VanDerWaalsContact CD2-CZ 3.41Å; H393-Y398 AromaticContact CG-CE1 3.83Å
394R78.6Confident80.6Confident156 Ų15667.3 Ų67.359%0.58936%0.356SS*.EExtended strand (participates in β ladder)trans-145.2138.3169.5-62.2-177.4174.8164.8-2.9110G396 K397 L404R394-G396 PolarHBondContact O-N 3.26Å; R394-G396 VanDerWaalsContact O-N 3.15Å; R394-K397 PolarHBondContact N-O 3.21Å; R394-K397 VanDerWaalsContact N-O 3.12Å; R394-K397 PolarHBondContact O-N 3.41Å; R394-L404 HydrophobicContact CB-CD1 3.65Å; R394-L404 HydrophobicContact CG-CD1 4.08Å
395D75.7Confident80.6Confident164 Ų16470 Ų7088%0.87736%0.364SS*.THydrogen-bonded Turntrans50.936.3176.6-56.3-37.1000114.8K397D395-K397 PolarHBondContact O-N 2.92Å
396G73.8Confident80.5Confident42 Ų4266.1 Ų66.143%0.43334%0.343SS..THydrogen-bonded Turntrans73.111.9-17900000114.4R394R394-G396 PolarHBondContact O-N 3.26Å; R394-G396 VanDerWaalsContact O-N 3.15Å
397K81.4Confident80.2Confident110 Ų11068.3 Ų68.348%0.47836%0.361SS..EExtended strand (participates in β ladder)trans-113.3149.8174.8-61.2-170.2-175.2179.10111.8H393 R394 D395 L404 F406H393-K397 WeakPolarHBondContact CA-O 3.3Å; R394-K397 PolarHBondContact N-O 3.21Å; R394-K397 VanDerWaalsContact N-O 3.12Å; R394-K397 PolarHBondContact O-N 3.41Å; D395-K397 PolarHBondContact O-N 2.92Å; K397-L404 HydrophobicContact CB-CB 3.8Å; K397-L404 WeakPolarHBondContact CD-O 3.5Å; K397-L404 WeakPolarHBondContact O-CD1 3.47Å; K397-F406 CarbonylContact C-O 3.47Å; K397-F406 WeakPolarHBondContact CA-O 3.36Å; K397-F406 WeakPolarHBondContact CB-O 3.5Å
398Y83.3Confident80.1Confident41 Ų4165.9 Ų65.916%0.16136%0.356CS..EExtended strand (participates in β ladder)trans-122.5150.1-176.2-59.6-90.3000111.2Y376 I391 F392 H393 F406 V409Y376-Y398 HydrophobicContact CD2-CE1 4.42Å; Y376-Y398 HydrophobicContact CE2-CE1 4.02Å; I391-Y398 HydrophobicContact CG2-CD1 4.32Å; F392-Y398 WeakPolarHBondContact O-CA 3.49Å; H393-Y398 HydrophobicContact CB-CD1 4.06Å; H393-Y398 HydrophobicContact CB-CE1 3.86Å; H393-Y398 AromaticContact CD2-CE1 3.43Å; H393-Y398 VanDerWaalsContact CD2-CE1 3.43Å; H393-Y398 WeakPolarHBondContact CD2-CE1 3.49Å; H393-Y398 AromaticContact CD2-CE2 3.98Å; H393-Y398 AromaticContact CD2-CZ 3.41Å; H393-Y398 VanDerWaalsContact CD2-CZ 3.41Å; H393-Y398 AromaticContact CG-CE1 3.83Å; Y398-F406 PolarHBondContact N-O 2.86Å; Y398-F406 WeakPolarHBondContact O-CB 3.49Å; Y398-F406 PolarHBondContact O-N 3.33Å; Y398-V409 HydrophobicContact CD1-CG2 3.46Å; Y398-V409 VanDerWaalsContact CD1-CG2 3.46Å; Y398-V409 HydrophobicContact CE1-CG2 3.69Å; Y398-V409 HydrophobicContact CG-CG2 3.94Å
399G82.2Confident80Confident3 Ų362.3 Ų62.33%0.03134%0.337CS..EExtended strand (participates in β ladder)trans175168.1179.200000112.9F392F392-G399 PolarHBondContact N-O 3.45Å; F392-G399 PolarHBondContact O-N 3.44Å
400F81Confident80Confident6 Ų662.5 Ų62.53%0.02634%0.339CS..SBendtrans-86.6-26.2178.8-56.9-50.7000113.2L378 I389 I391 F392 L412 Y416 L421 Y424L378-F400 HydrophobicContact CD2-CE1 3.77Å; L378-F400 HydrophobicContact CD2-CZ 3.61Å; I389-F400 HydrophobicContact CG2-CB 4.3Å; I389-F400 HydrophobicContact CG2-CD1 3.38Å; I389-F400 HydrophobicContact CG2-CE1 3.76Å; I389-F400 HydrophobicContact CG2-CG 3.91Å; I391-F400 HydrophobicContact CD1-CE1 4.36Å; I391-F400 HydrophobicContact CG1-CD1 4Å; I391-F400 HydrophobicContact CG1-CE1 3.7Å; F392-F400 WeakPolarHBondContact CD2-O 3.36Å; F392-F400 WeakPolarHBondContact CE2-O 3.45Å; F400-L412 HydrophobicContact CD1-CD2 4.33Å; F400-L412 HydrophobicContact CD2-CD1 4.39Å; F400-L412 HydrophobicContact CE1-CD2 3.89Å; F400-L412 HydrophobicContact CE1-CG 4.44Å; F400-L412 HydrophobicContact CE2-CD1 4.08Å; F400-L412 HydrophobicContact CE2-CG 4.5Å; F400-L412 HydrophobicContact CZ-CD1 4.19Å; F400-L412 HydrophobicContact CZ-CD2 4.09Å; F400-L412 HydrophobicContact CZ-CG 4.13Å; F400-Y416 HydrophobicContact CD2-CD2 4.28Å; F400-Y416 AromaticContact CD2-CE2 3.73Å; F400-Y416 HydrophobicContact CD2-CE2 3.73Å; F400-Y416 AromaticContact CE2-CD2 3.38Å; F400-Y416 HydrophobicContact CE2-CD2 3.38Å; F400-Y416 HydrophobicContact CE2-CE1 4.49Å; F400-Y416 AromaticContact CE2-CE2 3.3Å; F400-Y416 HydrophobicContact CE2-CE2 3.3Å; F400-Y416 HydrophobicContact CE2-CG 4.04Å; F400-Y416 AromaticContact CE2-CZ 3.89Å; F400-Y416 HydrophobicContact CZ-CD2 4.05Å; F400-Y416 HydrophobicContact CZ-CE2 4.29Å; F400-L421 HydrophobicContact CD2-CD2 4.25Å; F400-L421 HydrophobicContact CE2-CD2 3.48Å; F400-L421 VanDerWaalsContact CE2-CD2 3.48Å; F400-L421 HydrophobicContact CZ-CD2 4.1Å; F400-Y424 HydrophobicContact CB-CD1 4.24Å; F400-Y424 HydrophobicContact CB-CD2 3.53Å; F400-Y424 HydrophobicContact CB-CE1 4.05Å; F400-Y424 HydrophobicContact CB-CE2 3.31Å; F400-Y424 HydrophobicContact CB-CG 4Å; F400-Y424 HydrophobicContact CD2-CD1 4.17Å; F400-Y424 HydrophobicContact CD2-CD2 4.26Å; F400-Y424 AromaticContact CD2-CG 3.95Å; F400-Y424 HydrophobicContact CD2-CG 3.95Å; F400-Y424 HydrophobicContact CG-CD1 4.43Å; F400-Y424 HydrophobicContact CG-CD2 4.36Å; F400-Y424 HydrophobicContact CG-CE1 4.48Å; F400-Y424 HydrophobicContact CG-CE2 4.42Å; F400-Y424 HydrophobicContact CG-CG 4.36Å
401S73.9Confident79.9Confident65 Ų6563.1 Ų63.146%0.45534%0.343SS..SBendtrans-150.3163.1175.5540000110.7P403S401-P403 CarbonylContact O-C 3.38Å
402D69.4Low79.8Confident126 Ų12663.1 Ų63.167%0.67434%0.343SS*.SBendtrans-67.1133.8173.3-156.2-50.5000110
403P66.4Low80.1Confident97 Ų9759.2 Ų59.263%0.6333%0.326SS*.SBendcis-82.6138.21.631.3-32.6000114.7S401 T405S401-P403 CarbonylContact O-C 3.38Å; P403-T405 PolarHBondContact O-N 2.81Å
404L79.6Confident80.2Confident24 Ų2459 Ų5913%0.12633%0.326CS..  trans-74.2113175.2-53.1176.6000109.8F392 R394 K397F392-L404 HydrophobicContact CB-CD2 4.1Å; R394-L404 HydrophobicContact CB-CD1 3.65Å; R394-L404 HydrophobicContact CG-CD1 4.08Å; K397-L404 HydrophobicContact CB-CB 3.8Å; K397-L404 WeakPolarHBondContact CD-O 3.5Å; K397-L404 WeakPolarHBondContact O-CD1 3.47Å
405T78.6Confident80.5Confident97 Ų9754.4 Ų54.460%0.59531%0.312SS*.  trans-103.9-19.8-172.149.20000114.5P403P403-T405 PolarHBondContact O-N 2.81Å
406F82.9Confident80.8Confident20 Ų2047.7 Ų47.79%0.08827%0.274CS..BIsolated β-bridgetrans-97.1147.8-170.3-57.7-83000112.2K397 Y398 E411 L412 H415 Y416K397-F406 CarbonylContact C-O 3.47Å; K397-F406 WeakPolarHBondContact CA-O 3.36Å; K397-F406 WeakPolarHBondContact CB-O 3.5Å; Y398-F406 PolarHBondContact N-O 2.86Å; Y398-F406 WeakPolarHBondContact O-CB 3.49Å; Y398-F406 PolarHBondContact O-N 3.33Å; F406-E411 HydrophobicContact CD1-CG 4.14Å; F406-L412 HydrophobicContact CB-CB 4.18Å; F406-L412 HydrophobicContact CD2-CB 4.25Å; F406-L412 HydrophobicContact CD2-CD1 3.32Å; F406-L412 HydrophobicContact CD2-CG 4.38Å; F406-L412 HydrophobicContact CE2-CD1 3.42Å; F406-L412 VanDerWaalsContact CE2-CD1 3.42Å; F406-L412 HydrophobicContact CG-CB 4.06Å; F406-L412 HydrophobicContact CG-CD1 3.99Å; F406-L412 HydrophobicContact CZ-CD1 4.18Å; F406-H415 HydrophobicContact CE1-CB 3.67Å; F406-H415 AromaticContact CE1-CD2 3.77Å; F406-H415 AromaticContact CE1-CG 3.58Å; F406-H415 HydrophobicContact CZ-CB 4.12Å; F406-H415 AromaticContact CZ-CG 3.75Å; F406-H415 AromaticContact CZ-ND1 3.75Å; F406-Y416 HydrophobicContact CE2-CE2 4.13Å; F406-Y416 HydrophobicContact CZ-CE2 4.2Å
407S80.6Confident81.3Confident83 Ų8349.6 Ų49.658%0.5827%0.268SS*.SBendtrans-91-16.2-178.966.50000113.4E411S407-E411 WeakPolarHBondContact CB-OE2 3.48Å; S407-E411 PolarHBondContact N-OE2 2.93Å; S407-E411 PolarHBondContact OG-OE2 3.35Å
408S84.7Confident81.1Confident42 Ų4250.1 Ų50.129%0.29428%0.276SS..  trans-148.1158.8174.170.60000112.4V410 E411 L412S408-V410 VanDerWaalsContact C-N 3.25Å; S408-V410 PolarHBondContact O-N 3.04Å; S408-E411 PolarHBondContact O-N 3.03Å; S408-E411 VanDerWaalsContact OG-CB 3.28Å; S408-E411 WeakPolarHBondContact OG-CB 3.49Å; S408-E411 PolarHBondContact OG-N 3.35Å; S408-L412 PolarHBondContact O-N 2.91Å; S408-L412 VanDerWaalsContact O-N 3.08Å
409V83.8Confident80.9Confident4 Ų451.8 Ų51.82%0.02429%0.285CS..Hα-helixtrans-63.3-34.2171.9179.90000111.3L336 W341 V365 Y376 I391 Y398 L412 I413L336-V409 HydrophobicContact CD1-CB 3.95Å; L336-V409 HydrophobicContact CD1-CG1 3.91Å; L336-V409 HydrophobicContact CD2-CB 4.44Å; L336-V409 HydrophobicContact CD2-CG2 4.47Å; W341-V409 HydrophobicContact CH2-CG1 4.08Å; W341-V409 HydrophobicContact CZ3-CG1 4.26Å; V365-V409 HydrophobicContact CG1-CG1 4.5Å; Y376-V409 HydrophobicContact CD2-CG2 3.6Å; Y376-V409 HydrophobicContact CE2-CG2 3.73Å; Y376-V409 HydrophobicContact CG-CG2 4.4Å; I391-V409 HydrophobicContact CD1-CG1 4.05Å; I391-V409 HydrophobicContact CG2-CG2 4.44Å; Y398-V409 HydrophobicContact CD1-CG2 3.46Å; Y398-V409 VanDerWaalsContact CD1-CG2 3.46Å; Y398-V409 HydrophobicContact CE1-CG2 3.69Å; Y398-V409 HydrophobicContact CG-CG2 3.94Å; V409-L412 WeakPolarHBondContact O-CB 3.34Å; V409-L412 PolarHBondContact O-N 2.85Å; V409-I413 HydrophobicContact CG1-CG1 4.28Å; V409-I413 VanDerWaalsContact O-CG1 3.3Å; V409-I413 WeakPolarHBondContact O-CG1 3.25Å; V409-I413 PolarHBondContact O-N 3.4Å
410V86.3Confident80.9Confident13 Ų1353 Ų538%0.07929%0.294CS..Hα-helixtrans-65.7-42.2178.1179.60000110.9L336 W341 S408 I413 N414L336-V410 HydrophobicContact CB-CG2 4.42Å; L336-V410 HydrophobicContact CD1-CG2 4.12Å; W341-V410 HydrophobicContact CH2-CG2 4.24Å; W341-V410 HydrophobicContact CZ2-CG2 4.23Å; S408-V410 VanDerWaalsContact C-N 3.25Å; S408-V410 PolarHBondContact O-N 3.04Å; V410-I413 PolarHBondContact O-N 3.32Å; V410-N414 WeakPolarHBondContact O-CB 3.42Å; V410-N414 VanDerWaalsContact O-CG 3.3Å; V410-N414 PolarHBondContact O-N 3.49Å; V410-N414 PolarHBondContact O-ND2 3.24Å
411E84.4Confident80.9Confident88 Ų8852.8 Ų52.841%0.41129%0.293SS..Hα-helixtrans-63.6-44.3175-171-176.5-162.800111.5F406 S407 S408 I413 N414 H415F406-E411 HydrophobicContact CD1-CG 4.14Å; S407-E411 WeakPolarHBondContact CB-OE2 3.48Å; S407-E411 PolarHBondContact N-OE2 2.93Å; S407-E411 PolarHBondContact OG-OE2 3.35Å; S408-E411 PolarHBondContact O-N 3.03Å; S408-E411 VanDerWaalsContact OG-CB 3.28Å; S408-E411 WeakPolarHBondContact OG-CB 3.49Å; S408-E411 PolarHBondContact OG-N 3.35Å; E411-I413 PolarHBondContact O-N 2.95Å; E411-N414 PolarHBondContact O-N 3.43Å; E411-H415 WeakPolarHBondContact O-CB 3.44Å; E411-H415 PolarHBondContact O-N 3.37Å
412L86.4Confident81Confident0 Ų051.3 Ų51.30%029%0.285CS..Hα-helixtrans-56.1-51.1174.8174.870.7000111.4I391 F400 F406 S408 V409 H415 Y416I391-L412 HydrophobicContact CD1-CD2 4.15Å; I391-L412 HydrophobicContact CG1-CD2 4.06Å; I391-L412 HydrophobicContact CG2-CD2 3.76Å; F400-L412 HydrophobicContact CD1-CD2 4.33Å; F400-L412 HydrophobicContact CD2-CD1 4.39Å; F400-L412 HydrophobicContact CE1-CD2 3.89Å; F400-L412 HydrophobicContact CE1-CG 4.44Å; F400-L412 HydrophobicContact CE2-CD1 4.08Å; F400-L412 HydrophobicContact CE2-CG 4.5Å; F400-L412 HydrophobicContact CZ-CD1 4.19Å; F400-L412 HydrophobicContact CZ-CD2 4.09Å; F400-L412 HydrophobicContact CZ-CG 4.13Å; F406-L412 HydrophobicContact CB-CB 4.18Å; F406-L412 HydrophobicContact CD2-CB 4.25Å; F406-L412 HydrophobicContact CD2-CD1 3.32Å; F406-L412 HydrophobicContact CD2-CG 4.38Å; F406-L412 HydrophobicContact CE2-CD1 3.42Å; F406-L412 VanDerWaalsContact CE2-CD1 3.42Å; F406-L412 HydrophobicContact CG-CB 4.06Å; F406-L412 HydrophobicContact CG-CD1 3.99Å; F406-L412 HydrophobicContact CZ-CD1 4.18Å; S408-L412 PolarHBondContact O-N 2.91Å; S408-L412 VanDerWaalsContact O-N 3.08Å; V409-L412 WeakPolarHBondContact O-CB 3.34Å; V409-L412 PolarHBondContact O-N 2.85Å; L412-H415 WeakPolarHBondContact O-CB 3.31Å; L412-H415 PolarHBondContact O-N 2.91Å; L412-Y416 HydrophobicContact CD1-CD2 3.77Å; L412-Y416 HydrophobicContact CD1-CE2 3.49Å; L412-Y416 VanDerWaalsContact CD1-CE2 3.49Å; L412-Y416 HydrophobicContact CG-CD2 4.35Å; L412-Y416 VanDerWaalsContact O-CD2 3.25Å; L412-Y416 WeakPolarHBondContact O-CD2 3.25Å; L412-Y416 PolarHBondContact O-N 2.88Å; L412-Y416 VanDerWaalsContact O-N 3.16Å
413I87.5Confident81.2Confident0 Ų050.9 Ų50.90%028%0.279CS..Hα-helixtrans-66.6-41.4-178.8-66.4-63.8000111.3W341 F363 V365 L378 V409 V410 E411 H415 Y416 R417 L432W341-I413 HydrophobicContact CD2-CG2 4.14Å; W341-I413 HydrophobicContact CE3-CG1 4.47Å; W341-I413 HydrophobicContact CH2-CB 4.02Å; W341-I413 HydrophobicContact CH2-CG1 3.7Å; W341-I413 HydrophobicContact CH2-CG2 4.32Å; W341-I413 HydrophobicContact CZ2-CB 3.8Å; W341-I413 HydrophobicContact CZ2-CG1 4.01Å; W341-I413 HydrophobicContact CZ2-CG2 3.78Å; W341-I413 HydrophobicContact CZ3-CG1 3.96Å; F363-I413 HydrophobicContact CE2-CG2 3.7Å; F363-I413 HydrophobicContact CZ-CG2 4.12Å; V365-I413 HydrophobicContact CG2-CD1 3.8Å; V365-I413 HydrophobicContact CG2-CG1 4.16Å; L378-I413 HydrophobicContact CD1-CD1 3.92Å; L378-I413 HydrophobicContact CD2-CD1 4.04Å; L378-I413 HydrophobicContact CG-CD1 4.5Å; V409-I413 HydrophobicContact CG1-CG1 4.28Å; V409-I413 VanDerWaalsContact O-CG1 3.3Å; V409-I413 WeakPolarHBondContact O-CG1 3.25Å; V409-I413 PolarHBondContact O-N 3.4Å; V410-I413 PolarHBondContact O-N 3.32Å; E411-I413 PolarHBondContact O-N 2.95Å; I413-H415 VanDerWaalsContact C-N 3.33Å; I413-H415 PolarHBondContact O-N 3.49Å; I413-Y416 CarbonylContact O-C 3.34Å; I413-Y416 PolarHBondContact O-N 3.21Å; I413-R417 WeakPolarHBondContact O-CB 3.23Å; I413-R417 PolarHBondContact O-N 3.22Å; I413-L432 HydrophobicContact CB-CD1 4.43Å; I413-L432 HydrophobicContact CD1-CD1 3.71Å; I413-L432 HydrophobicContact CG2-CD1 3.95Å
414N84.5Confident81.5Confident57 Ų5750.1 Ų50.131%0.30526%0.264SS..Hα-helixtrans-66.3-34.7177.7-76.9-22.5000112.6V410 E411 R417 N418V410-N414 WeakPolarHBondContact O-CB 3.42Å; V410-N414 VanDerWaalsContact O-CG 3.3Å; V410-N414 PolarHBondContact O-N 3.49Å; V410-N414 PolarHBondContact O-ND2 3.24Å; E411-N414 PolarHBondContact O-N 3.43Å; N414-R417 WeakPolarHBondContact O-CB 3.45Å; N414-R417 PolarHBondContact O-N 2.9Å; N414-N418 PolarHBondContact O-N 2.95Å; N414-N418 PolarHBondContact O-ND2 3.5Å
415H83.8Confident81.2Confident60 Ų6051.7 Ų51.728%0.27827%0.273SS..Hα-helixtrans-60.7-52.1172.4-177.2-86.3000111F406 E411 L412 I413 R417 N418 E419F406-H415 HydrophobicContact CE1-CB 3.67Å; F406-H415 AromaticContact CE1-CD2 3.77Å; F406-H415 AromaticContact CE1-CG 3.58Å; F406-H415 HydrophobicContact CZ-CB 4.12Å; F406-H415 AromaticContact CZ-CG 3.75Å; F406-H415 AromaticContact CZ-ND1 3.75Å; E411-H415 WeakPolarHBondContact O-CB 3.44Å; E411-H415 PolarHBondContact O-N 3.37Å; L412-H415 WeakPolarHBondContact O-CB 3.31Å; L412-H415 PolarHBondContact O-N 2.91Å; I413-H415 VanDerWaalsContact C-N 3.33Å; I413-H415 PolarHBondContact O-N 3.49Å; H415-R417 PolarHBondContact O-N 3.11Å; H415-N418 PolarHBondContact O-N 3.47Å; H415-N418 VanDerWaalsContact O-N 3.1Å; H415-E419 VanDerWaalsContact CE1-CD 3.46Å; H415-E419 IonicContact CE1-OE2 2.75Å; H415-E419 PolarHBondContact CE1-OE2 2.92Å; H415-E419 IonicContact ND1-OE2 3.63Å; H415-E419 IonicContact NE2-OE1 3.58Å; H415-E419 IonicContact NE2-OE2 2.75Å; H415-E419 PolarHBondContact NE2-OE2 2.71Å; H415-E419 WeakPolarHBondContact O-CB 3.35Å; H415-E419 PolarHBondContact O-N 2.9Å
416Y82.9Confident81.1Confident23 Ų2350.7 Ų50.79%0.0927%0.268CS..Hα-helixtrans-77.9-0.5179.1-70.3-70.4000115.1F400 F406 L412 I413 E419 L421 Q423 L432F400-Y416 HydrophobicContact CD2-CD2 4.28Å; F400-Y416 AromaticContact CD2-CE2 3.73Å; F400-Y416 HydrophobicContact CD2-CE2 3.73Å; F400-Y416 AromaticContact CE2-CD2 3.38Å; F400-Y416 HydrophobicContact CE2-CD2 3.38Å; F400-Y416 HydrophobicContact CE2-CE1 4.49Å; F400-Y416 AromaticContact CE2-CE2 3.3Å; F400-Y416 HydrophobicContact CE2-CE2 3.3Å; F400-Y416 HydrophobicContact CE2-CG 4.04Å; F400-Y416 AromaticContact CE2-CZ 3.89Å; F400-Y416 HydrophobicContact CZ-CD2 4.05Å; F400-Y416 HydrophobicContact CZ-CE2 4.29Å; F406-Y416 HydrophobicContact CE2-CE2 4.13Å; F406-Y416 HydrophobicContact CZ-CE2 4.2Å; L412-Y416 HydrophobicContact CD1-CD2 3.77Å; L412-Y416 HydrophobicContact CD1-CE2 3.49Å; L412-Y416 VanDerWaalsContact CD1-CE2 3.49Å; L412-Y416 HydrophobicContact CG-CD2 4.35Å; L412-Y416 VanDerWaalsContact O-CD2 3.25Å; L412-Y416 WeakPolarHBondContact O-CD2 3.25Å; L412-Y416 PolarHBondContact O-N 2.88Å; L412-Y416 VanDerWaalsContact O-N 3.16Å; I413-Y416 CarbonylContact O-C 3.34Å; I413-Y416 PolarHBondContact O-N 3.21Å; Y416-E419 CarbonylContact C-O 3.5Å; Y416-E419 VanDerWaalsContact C-O 3.31Å; Y416-E419 WeakPolarHBondContact CA-O 3.41Å; Y416-L421 HydrophobicContact CD1-CD2 3.59Å; Y416-L421 HydrophobicContact CD1-CG 3.99Å; Y416-L421 HydrophobicContact CD2-CD2 4.34Å; Y416-L421 HydrophobicContact CE1-CD2 4.06Å; Y416-L421 HydrophobicContact CG-CD2 3.74Å; Y416-L421 HydrophobicContact CG-CG 4.3Å; Y416-Q423 HydrophobicContact CE1-CB 4.49Å; Y416-L432 PolarHBondContact O-N 3.19Å
417R83.4Confident80.6Confident83 Ų8357.4 Ų57.431%0.31330%0.297SS..Hα-helixtrans-77.6-35.3164.7-170.3158.7-166.4175.72.4110.9E340 I413 N414 H415 L432E340-R417 IonicContact OE1-NH1 2.82Å; E340-R417 PolarHBondContact OE1-NH1 3.1Å; E340-R417 IonicContact OE1-NH2 3.8Å; I413-R417 WeakPolarHBondContact O-CB 3.23Å; I413-R417 PolarHBondContact O-N 3.22Å; N414-R417 WeakPolarHBondContact O-CB 3.45Å; N414-R417 PolarHBondContact O-N 2.9Å; H415-R417 PolarHBondContact O-N 3.11Å; R417-L432 HydrophobicContact CB-CB 4.45Å; R417-L432 WeakPolarHBondContact CG-O 3.37Å
418N78.6Confident80.4Confident120 Ų12054 Ų5464%0.64227%0.272SS*.Hα-helixtrans-93.9-35179.4-64.3-37.7000112.3N414 H415 K431N414-N418 PolarHBondContact O-N 2.95Å; N414-N418 PolarHBondContact O-ND2 3.5Å; H415-N418 PolarHBondContact O-N 3.47Å; H415-N418 VanDerWaalsContact O-N 3.1Å; N418-K431 WeakPolarHBondContact O-CE 3.33Å; N418-K431 PolarHBondContact O-NZ 2.92Å
419E78.7Confident80.2Confident76 Ų7656.9 Ų56.936%0.35528%0.284SS..SBendtrans-105146.5-179.6-56.8-160.3169.200111.9H415 Y416 Q423H415-E419 VanDerWaalsContact CE1-CD 3.46Å; H415-E419 IonicContact CE1-OE2 2.75Å; H415-E419 PolarHBondContact CE1-OE2 2.92Å; H415-E419 IonicContact ND1-OE2 3.63Å; H415-E419 IonicContact NE2-OE1 3.58Å; H415-E419 IonicContact NE2-OE2 2.75Å; H415-E419 PolarHBondContact NE2-OE2 2.71Å; H415-E419 WeakPolarHBondContact O-CB 3.35Å; H415-E419 PolarHBondContact O-N 2.9Å; Y416-E419 CarbonylContact C-O 3.5Å; Y416-E419 VanDerWaalsContact C-O 3.31Å; Y416-E419 WeakPolarHBondContact CA-O 3.41Å; E419-Q423 VanDerWaalsContact OE2-CD 3.24Å; E419-Q423 PolarHBondContact OE2-NE2 3.46Å; E419-Q423 PolarHBondContact OE2-OE1 3.08Å
420S81.6Confident80.1Confident30 Ų3057.6 Ų57.621%0.2129%0.289CS..  trans-73138.9-178.9-177.10000111.1A422 Q423S420-A422 PolarHBondContact O-N 2.87Å; S420-A422 WeakPolarHBondContact OG-CB 3.47Å; S420-A422 PolarHBondContact OG-N 2.91Å; S420-Q423 PolarHBondContact O-N 2.95Å; S420-Q423 VanDerWaalsContact O-N 3.17Å
421L81.3Confident80.1Confident0 Ų061.2 Ų61.20%030%0.303CS..G310 helixtrans-62.5-6.9170.5-76.7161.5000112.8L380 F400 Y416 Q423 Y424 N425 L428 V430 L432L380-L421 HydrophobicContact CD2-CD1 3.36Å; F400-L421 HydrophobicContact CD2-CD2 4.25Å; F400-L421 HydrophobicContact CE2-CD2 3.48Å; F400-L421 VanDerWaalsContact CE2-CD2 3.48Å; F400-L421 HydrophobicContact CZ-CD2 4.1Å; Y416-L421 HydrophobicContact CD1-CD2 3.59Å; Y416-L421 HydrophobicContact CD1-CG 3.99Å; Y416-L421 HydrophobicContact CD2-CD2 4.34Å; Y416-L421 HydrophobicContact CE1-CD2 4.06Å; Y416-L421 HydrophobicContact CG-CD2 3.74Å; Y416-L421 HydrophobicContact CG-CG 4.3Å; L421-Q423 PolarHBondContact O-N 3.15Å; L421-Q423 VanDerWaalsContact O-N 3.16Å; L421-Y424 PolarHBondContact O-N 2.82Å; L421-N425 PolarHBondContact O-N 3.34Å; L421-L428 CarbonylContact C-O 3.24Å; L421-L428 HydrophobicContact CB-CB 4.1Å; L421-L428 WeakPolarHBondContact CB-O 3.48Å; L421-V430 WeakPolarHBondContact CB-O 3.49Å; L421-V430 PolarHBondContact N-O 3.31Å; L421-L432 HydrophobicContact CD1-CD2 3.76Å; L421-L432 HydrophobicContact CD1-CG 4.2Å
422A76Confident80.2Confident35 Ų3557 Ų5729%0.28928%0.284SS..G310 helixtrans-49-34.1166.300000113.1S420 Y424 N425 L428 D429S420-A422 PolarHBondContact O-N 2.87Å; S420-A422 WeakPolarHBondContact OG-CB 3.47Å; S420-A422 PolarHBondContact OG-N 2.91Å; A422-Y424 VanDerWaalsContact C-N 3.28Å; A422-Y424 PolarHBondContact O-N 3.48Å; A422-N425 VanDerWaalsContact CA-O 3.31Å; A422-N425 WeakPolarHBondContact CA-O 3.43Å; A422-N425 CarbonylContact O-C 3.56Å; A422-N425 VanDerWaalsContact O-C 3.3Å; A422-L428 PolarHBondContact N-O 2.85Å; A422-D429 HydrophobicContact CB-CB 4.26Å
423Q73.3Confident80Confident116 Ų11661.1 Ų61.154%0.54231%0.305SS..G310 helixtrans-64.2-33177.7-69.1177-20.800113Y416 E419 S420 L421Y416-Q423 HydrophobicContact CE1-CB 4.49Å; E419-Q423 VanDerWaalsContact OE2-CD 3.24Å; E419-Q423 PolarHBondContact OE2-NE2 3.46Å; E419-Q423 PolarHBondContact OE2-OE1 3.08Å; S420-Q423 PolarHBondContact O-N 2.95Å; S420-Q423 VanDerWaalsContact O-N 3.17Å; L421-Q423 PolarHBondContact O-N 3.15Å; L421-Q423 VanDerWaalsContact O-N 3.16Å
424Y72.9Confident79.9Confident81 Ų8167.3 Ų67.332%0.31833%0.329SS..THydrogen-bonded Turntrans-85.6-46.2175.3167.3-113.3000110.9I389 F400 L421 A422I389-Y424 HydrophobicContact CG2-CE1 4.06Å; F400-Y424 HydrophobicContact CB-CD1 4.24Å; F400-Y424 HydrophobicContact CB-CD2 3.53Å; F400-Y424 HydrophobicContact CB-CE1 4.05Å; F400-Y424 HydrophobicContact CB-CE2 3.31Å; F400-Y424 HydrophobicContact CB-CG 4Å; F400-Y424 HydrophobicContact CD2-CD1 4.17Å; F400-Y424 HydrophobicContact CD2-CD2 4.26Å; F400-Y424 AromaticContact CD2-CG 3.95Å; F400-Y424 HydrophobicContact CD2-CG 3.95Å; F400-Y424 HydrophobicContact CG-CD1 4.43Å; F400-Y424 HydrophobicContact CG-CD2 4.36Å; F400-Y424 HydrophobicContact CG-CE1 4.48Å; F400-Y424 HydrophobicContact CG-CE2 4.42Å; F400-Y424 HydrophobicContact CG-CG 4.36Å; L421-Y424 PolarHBondContact O-N 2.82Å; A422-Y424 VanDerWaalsContact C-N 3.28Å; A422-Y424 PolarHBondContact O-N 3.48Å
425N74Confident80Confident58 Ų5866 Ų6631%0.3132%0.324SS..  trans-143.8116.7177.3-174.8-18.1000109.5L421 A422 K427 L428L421-N425 PolarHBondContact O-N 3.34Å; A422-N425 VanDerWaalsContact CA-O 3.31Å; A422-N425 WeakPolarHBondContact CA-O 3.43Å; A422-N425 CarbonylContact O-C 3.56Å; A422-N425 VanDerWaalsContact O-C 3.3Å; N425-K427 PolarHBondContact O-N 3.28Å; N425-K427 WeakPolarHBondContact OD1-CB 3.34Å; N425-K427 PolarHBondContact OD1-N 2.74Å; N425-L428 HydrophobicContact CB-CB 4.26Å; N425-L428 HydrophobicContact CB-CD1 4.05Å; N425-L428 HydrophobicContact CB-CG 4.11Å; N425-L428 WeakPolarHBondContact O-CA 3.45Å; N425-L428 WeakPolarHBondContact O-CB 3.45Å; N425-L428 PolarHBondContact O-N 3.06Å
426P75.9Confident79.9Confident76 Ų7663.8 Ų63.849%0.49431%0.314SS..G310 helixtrans-55.9-28.1178.9-25.733.6000113.4P310 L428P310-P426 HydrophobicContact CG-CB 4.35Å; P310-P426 HydrophobicContact CG-CG 4.44Å; P426-L428 PolarHBondContact O-N 2.69Å
427K72.4Confident79.8Confident160 Ų16063.7 Ų63.770%0.69632%0.317SS*.G310 helixtrans-750.1174.8-60-176.4177.9-179.70113.6K382 N425K382-K427 WeakPolarHBondContact CE-O 3.28Å; K382-K427 PolarHBondContact NZ-O 2.7Å; N425-K427 PolarHBondContact O-N 3.28Å; N425-K427 WeakPolarHBondContact OD1-CB 3.34Å; N425-K427 PolarHBondContact OD1-N 2.74Å
428L76.9Confident79.2Confident11 Ų1162.3 Ų62.36%0.05831%0.314CS..G310 helixtrans-122.149.9175.9-62.5178.9000110.4K382 K387 I389 L421 A422 N425 P426 V430K382-L428 HydrophobicContact CD-CD2 3.91Å; K387-L428 HydrophobicContact CB-CD2 4.31Å; K387-L428 HydrophobicContact CG-CD2 3.89Å; I389-L428 HydrophobicContact CD1-CD1 3.84Å; I389-L428 HydrophobicContact CG1-CD1 4.44Å; L421-L428 CarbonylContact C-O 3.24Å; L421-L428 HydrophobicContact CB-CB 4.1Å; L421-L428 WeakPolarHBondContact CB-O 3.48Å; A422-L428 PolarHBondContact N-O 2.85Å; N425-L428 HydrophobicContact CB-CB 4.26Å; N425-L428 HydrophobicContact CB-CD1 4.05Å; N425-L428 HydrophobicContact CB-CG 4.11Å; N425-L428 WeakPolarHBondContact O-CA 3.45Å; N425-L428 WeakPolarHBondContact O-CB 3.45Å; N425-L428 PolarHBondContact O-N 3.06Å; P426-L428 PolarHBondContact O-N 2.69Å; L428-V430 PolarHBondContact O-N 2.97Å
429D79.1Confident78.5Confident104 Ų10460.9 Ų60.956%0.55630%0.303SS*.  trans-64.633.2173.674.4-27.9000116.7K382 A422K382-D429 VanDerWaalsContact CE-OD1 3.27Å; K382-D429 WeakPolarHBondContact CE-OD1 3.44Å; K382-D429 IonicContact NZ-OD1 3.37Å; K382-D429 PolarHBondContact NZ-OD1 3.42Å; A422-D429 HydrophobicContact CB-CB 4.26Å
430V82.6Confident77.5Confident19 Ų1963 Ų6312%0.11531%0.313CS..  trans-116.9139.31801750000108.8K382 L421 L428K382-V430 HydrophobicContact CB-CG2 4.49Å; K382-V430 HydrophobicContact CD-CB 4.38Å; K382-V430 HydrophobicContact CD-CG2 3.72Å; K382-V430 HydrophobicContact CG-CG2 3.86Å; L421-V430 WeakPolarHBondContact CB-O 3.49Å; L421-V430 PolarHBondContact N-O 3.31Å; L428-V430 PolarHBondContact O-N 2.97Å
431K86.1Confident76.1Confident89 Ų8962.3 Ų62.339%0.38731%0.306SS..  trans-85.3159.1173.4-64-176-177.8-164.20110.3N418 L433N418-K431 WeakPolarHBondContact O-CE 3.33Å; N418-K431 PolarHBondContact O-NZ 2.92Å; K431-L433 VanDerWaalsContact C-N 3.26Å; K431-L433 HydrophobicContact CB-CD2 4.03Å; K431-L433 HydrophobicContact CB-CG 4.06Å; K431-L433 PolarHBondContact O-N 2.95Å
432L86.1Confident74.6Confident0 Ų065.8 Ų65.80%033%0.325CS..  trans-73.480.3170.6-61.2-176.5000109.8F363 L378 L380 I413 Y416 R417 L421F363-L432 HydrophobicContact CB-CD2 3.85Å; F363-L432 HydrophobicContact CD1-CB 3.69Å; F363-L432 HydrophobicContact CD1-CD2 4.03Å; F363-L432 HydrophobicContact CD1-CG 4.41Å; F363-L432 HydrophobicContact CD2-CB 4.43Å; F363-L432 HydrophobicContact CD2-CD1 4.34Å; F363-L432 HydrophobicContact CD2-CD2 4.12Å; F363-L432 HydrophobicContact CE1-CB 3.55Å; F363-L432 WeakPolarHBondContact CE1-O 3.45Å; F363-L432 HydrophobicContact CE2-CB 4.31Å; F363-L432 HydrophobicContact CE2-CD1 4.3Å; F363-L432 HydrophobicContact CG-CB 4.14Å; F363-L432 HydrophobicContact CG-CD2 3.73Å; F363-L432 HydrophobicContact CG-CG 4.39Å; F363-L432 HydrophobicContact CZ-CB 3.87Å; L378-L432 HydrophobicContact CD1-CD2 4.36Å; L378-L432 HydrophobicContact CD2-CD1 4.37Å; L378-L432 HydrophobicContact CD2-CD2 4.26Å; L380-L432 HydrophobicContact CD1-CD2 3.9Å; L380-L432 HydrophobicContact CD2-CD2 4.44Å; I413-L432 HydrophobicContact CB-CD1 4.43Å; I413-L432 HydrophobicContact CD1-CD1 3.71Å; I413-L432 HydrophobicContact CG2-CD1 3.95Å; Y416-L432 PolarHBondContact O-N 3.19Å; R417-L432 HydrophobicContact CB-CB 4.45Å; R417-L432 WeakPolarHBondContact CG-O 3.37Å; L421-L432 HydrophobicContact CD1-CD2 3.76Å; L421-L432 HydrophobicContact CD1-CG 4.2Å
433L82Confident73.5Confident86 Ų8671.5 Ų71.545%0.4535%0.346SS..  trans-85.8-49.6-169.7-68.5171.5000113.1G361 K431 P435G361-L433 PolarHBondContact O-N 2.94Å; G361-L433 VanDerWaalsContact O-N 3.1Å; K431-L433 VanDerWaalsContact C-N 3.26Å; K431-L433 HydrophobicContact CB-CD2 4.03Å; K431-L433 HydrophobicContact CB-CG 4.06Å; K431-L433 PolarHBondContact O-N 2.95Å; L433-P435 WeakPolarHBondContact O-CD 3.5Å
434Y85.2Confident72.6Confident129 Ų12969 Ų6951%0.50634%0.338SS..EExtended strand (participates in β ladder)trans-115.893-169.6-52.1-70.2000110.3A359 G361 T362 F363 V436A359-Y434 HydrophobicContact CB-CD2 4.21Å; A359-Y434 HydrophobicContact CB-CE2 4.01Å; G361-Y434 PolarHBondContact O-N 2.94Å; T362-Y434 CarbonylContact C-O 3.49Å; T362-Y434 VanDerWaalsContact CA-O 3.24Å; T362-Y434 WeakPolarHBondContact CA-O 3.49Å; F363-Y434 PolarHBondContact N-O 3.48Å; Y434-V436 PolarHBondContact O-N 3.04Å
435P86.4Confident71.9Confident29 Ų2965.4 Ų65.419%0.18833%0.325CS..EExtended strand (participates in β ladder)trans-65.2129.2174.327.3-33.6000109.8E340 W341 F363 L433 S437E340-P435 HydrophobicContact CG-CB 4.29Å; E340-P435 WeakPolarHBondContact OE1-CG 3.49Å; W341-P435 HydrophobicContact CB-CB 3.87Å; W341-P435 HydrophobicContact CG-CB 4.44Å; F363-P435 HydrophobicContact CE1-CB 3.89Å; F363-P435 HydrophobicContact CE1-CG 4.5Å; F363-P435 HydrophobicContact CE2-CB 4.44Å; F363-P435 HydrophobicContact CZ-CB 3.75Å; L433-P435 WeakPolarHBondContact O-CD 3.5Å; P435-S437 PolarHBondContact O-N 3.41Å; P435-S437 VanDerWaalsContact O-N 3.07Å
436V83.4Confident71.3Confident14 Ų1471.6 Ų71.69%0.08535%0.349CS..  trans-74.3100.3168.4-176.50000107.2W343 L355 T362 F363 L364 Y434 K438W343-V436 HydrophobicContact CZ2-CG1 3.87Å; W343-V436 PolarHBondContact NE1-O 3.34Å; L355-V436 HydrophobicContact CD2-CG2 3.66Å; T362-V436 HydrophobicContact CG2-CG2 3.33Å; F363-V436 PolarHBondContact O-N 2.84Å; L364-V436 HydrophobicContact CB-CB 4.2Å; L364-V436 HydrophobicContact CD2-CB 4.23Å; L364-V436 HydrophobicContact CD2-CG1 4.42Å; L364-V436 HydrophobicContact CD2-CG2 4.32Å; Y434-V436 PolarHBondContact O-N 3.04Å; V436-K438 PolarHBondContact O-N 3.37Å
437S79.4Confident70.8Confident22 Ų2271.6 Ų71.615%0.15434%0.342CS..  trans-73127.2-176.2-176.70000111.2E340 P435 H439 Q440E340-S437 CarbonylContact O-C 3.57Å; E340-S437 VanDerWaalsContact O-CA 3.3Å; E340-S437 WeakPolarHBondContact O-CA 3.32Å; P435-S437 PolarHBondContact O-N 3.41Å; P435-S437 VanDerWaalsContact O-N 3.07Å; S437-H439 PolarHBondContact O-N 3.01Å; S437-H439 PolarHBondContact OG-N 3.4Å; S437-Q440 VanDerWaalsContact O-CB 3.3Å; S437-Q440 WeakPolarHBondContact O-CB 3.38Å; S437-Q440 PolarHBondContact O-N 3.38Å; S437-Q440 VanDerWaalsContact O-N 3.07Å
438K71.1Confident70.7Confident54 Ų5471.1 Ų71.124%0.23535%0.347CS..G310 helixtrans-56.2-28167.370.2-175.5-176.5176.40112.2Q337 E340 W343 V436Q337-K438 PolarHBondContact O-NZ 2.93Å; E340-K438 PolarHBondContact O-N 3.31Å; W343-K438 HydrophobicContact CD2-CB 4.47Å; W343-K438 HydrophobicContact CH2-CB 4.46Å; W343-K438 VanDerWaalsContact CZ2-CA 3.46Å; W343-K438 HydrophobicContact CZ2-CB 4.21Å; V436-K438 PolarHBondContact O-N 3.37Å
439H63.7Low71Confident90 Ų9075.1 Ų75.142%0.41737%0.369SS..G310 helixtrans-86.3-5.2179.3-56.5-65.4000114S437 Q441 D442S437-H439 PolarHBondContact O-N 3.01Å; S437-H439 PolarHBondContact OG-N 3.4Å; H439-Q441 PolarHBondContact O-N 2.93Å; H439-Q441 VanDerWaalsContact O-N 3.16Å; H439-D442 IonicContact ND1-OD2 3.84Å; H439-D442 PolarHBondContact O-N 3.11Å
440Q57.4Low71.1Confident119 Ų11973.1 Ų73.156%0.55636%0.357SS*.G310 helixtrans-61.9-22.9174.1-164.3170.51500111.6S437S437-Q440 VanDerWaalsContact O-CB 3.3Å; S437-Q440 WeakPolarHBondContact O-CB 3.38Å; S437-Q440 PolarHBondContact O-N 3.38Å; S437-Q440 VanDerWaalsContact O-N 3.07Å
441Q53.4Low71.1Confident17 Ų1776.8 Ų76.88%0.07937%0.373CS..G310 helixtrans-71.3-34.1173.1-78.6167.6-39.900113.1H439 Q443 V444 M590 Q594H439-Q441 PolarHBondContact O-N 2.93Å; H439-Q441 VanDerWaalsContact O-N 3.16Å; Q441-Q443 VanDerWaalsContact C-N 3.27Å; Q441-Q443 PolarHBondContact O-N 3.39Å; Q441-V444 PolarHBondContact O-N 3.28Å; Q441-M590 PolarHBondContact NE2-SD 3.4Å; Q441-M590 VanDerWaalsContact NE2-SD 3.44Å; Q441-Q594 VanDerWaalsContact OE1-NE2 3.09Å
442D49.9Very low71Confident73 Ų7373.1 Ų73.139%0.3936%0.359SS..THydrogen-bonded Turntrans-72-17.4176.9-76.8-35.3000112.9H439 W591H439-D442 IonicContact ND1-OD2 3.84Å; H439-D442 PolarHBondContact O-N 3.11Å; D442-W591 PolarHBondContact OD1-NE1 3.43Å
443Q51.3Low71Confident155 Ų15573.1 Ų73.172%0.72436%0.359SS*.THydrogen-bonded Turntrans-78.6-24.7175.5-79.1-175.28.800113.9Q441Q441-Q443 VanDerWaalsContact C-N 3.27Å; Q441-Q443 PolarHBondContact O-N 3.39Å
444V54.6Low71.1Confident64 Ų6469 Ų6939%0.38834%0.338SS..THydrogen-bonded Turntrans-85.4-37.5-178.9-177.70000110.9Q441 K446 Y588Q441-V444 PolarHBondContact O-N 3.28Å; V444-K446 PolarHBondContact O-N 3.05Å; V444-Y588 HydrophobicContact CG1-CE2 4.34Å
445V58.3Low71.2Confident5 Ų570.5 Ų70.53%0.0334%0.343CS..  trans-91.886.6176.9-173.60000108.2E447 V453 Y588 W591V445-E447 PolarHBondContact O-N 3.44Å; V445-E447 VanDerWaalsContact O-N 3.09Å; V445-V453 HydrophobicContact CG1-CB 4.14Å; V445-V453 HydrophobicContact CG1-CG1 3.67Å; V445-V453 HydrophobicContact CG1-CG2 3.29Å; V445-Y588 HydrophobicContact CG1-CE1 4.44Å; V445-Y588 HydrophobicContact CG2-CD1 4.39Å; V445-Y588 HydrophobicContact CG2-CD2 4.14Å; V445-Y588 HydrophobicContact CG2-CE1 4.29Å; V445-Y588 HydrophobicContact CG2-CE2 4.09Å; V445-Y588 HydrophobicContact CG2-CG 4.31Å; V445-W591 HydrophobicContact CB-CD2 4.39Å; V445-W591 HydrophobicContact CB-CG 4.26Å; V445-W591 HydrophobicContact CG1-CD2 3.99Å; V445-W591 HydrophobicContact CG1-CE3 4.35Å; V445-W591 HydrophobicContact CG1-CG 4.34Å; V445-W591 HydrophobicContact CG1-CZ2 4.25Å; V445-W591 HydrophobicContact CG2-CB 4.16Å; V445-W591 HydrophobicContact CG2-CD2 4.5Å; V445-W591 HydrophobicContact CG2-CG 4.01Å
446K62.4Low71.2Confident187 Ų18772.3 Ų72.381%0.81335%0.347SS*.  trans-70.51.2-177.7-64.1-178.4178.8178.60114.4V444V444-K446 PolarHBondContact O-N 3.05Å
447E65.8Low71.5Confident76 Ų7671.6 Ų71.636%0.35534%0.343SS..  trans-114.8120.2-173.5-69.2177.2179.100110.2V445 N449 A452 V453V445-E447 PolarHBondContact O-N 3.44Å; V445-E447 VanDerWaalsContact O-N 3.09Å; E447-N449 PolarHBondContact O-N 2.94Å; E447-A452 WeakPolarHBondContact OE2-CB 3.49Å; E447-V453 HydrophobicContact CB-CG2 3.91Å; E447-V453 WeakPolarHBondContact O-CG2 3.44Å
448D69.1Low71.9Confident150 Ų15073.3 Ų73.380%0.80235%0.354SS*.  trans-76.2-11.3177.6-64.6-42.8000113.1
449N82.7Confident72.8Confident95 Ų9574.9 Ų74.951%0.50836%0.362SS..  trans-87113.2-177-177.47.2000111.9E447 E451 A452 V453E447-N449 PolarHBondContact O-N 2.94Å; N449-E451 PolarHBondContact O-N 3.02Å; N449-E451 VanDerWaalsContact O-N 3.14Å; N449-E451 PolarHBondContact OD1-N 3.36Å; N449-E451 VanDerWaalsContact OD1-N 3.13Å; N449-A452 HydrophobicContact CB-CB 3.97Å; N449-A452 PolarHBondContact O-N 3.07Å; N449-V453 WeakPolarHBondContact O-CG2 3.45Å; N449-V453 PolarHBondContact O-N 3.1Å
450I81.4Confident74Confident62 Ų6273.7 Ų73.732%0.31836%0.355SS..Hα-helixtrans-49.4-40.4177.2-66.2171.7000112.7G454 W591 L592 K595 V597 W605I450-G454 PolarHBondContact O-N 3.11Å; I450-W591 HydrophobicContact CG1-CZ3 4.38Å; I450-L592 HydrophobicContact CG2-CD2 4.1Å; I450-K595 HydrophobicContact CD1-CB 4.31Å; I450-K595 HydrophobicContact CG1-CB 4.44Å; I450-V597 HydrophobicContact CG2-CG2 3.49Å; I450-V597 VanDerWaalsContact CG2-CG2 3.49Å; I450-W605 HydrophobicContact CG2-CH2 4.05Å
451E83Confident75.6Confident97 Ų9769.1 Ų69.145%0.45333%0.333SS..Hα-helixtrans-70.9-34.5-179.3-146.880.7-145.100112.5N449 R455 K601N449-E451 PolarHBondContact O-N 3.02Å; N449-E451 VanDerWaalsContact O-N 3.14Å; N449-E451 PolarHBondContact OD1-N 3.36Å; N449-E451 VanDerWaalsContact OD1-N 3.13Å; E451-R455 PolarHBondContact O-N 3.43Å; E451-R455 VanDerWaalsContact O-N 3.11Å; E451-K601 WeakPolarHBondContact OE1-CE 3.33Å; E451-K601 IonicContact OE1-NZ 2.73Å; E451-K601 PolarHBondContact OE1-NZ 3.29Å; E451-K601 IonicContact OE2-NZ 3.6Å; E451-K601 PolarHBondContact OE2-NZ 3.27Å
452A85.1Confident77.4Confident11 Ų1172.3 Ų72.39%0.09135%0.348CS..Hα-helixtrans-74.9-42.3-179.700000110.8E447 N449 G454 R455 K456E447-A452 WeakPolarHBondContact OE2-CB 3.49Å; N449-A452 HydrophobicContact CB-CB 3.97Å; N449-A452 PolarHBondContact O-N 3.07Å; A452-G454 VanDerWaalsContact C-N 3.31Å; A452-G454 PolarHBondContact O-N 3.43Å; A452-R455 PolarHBondContact O-N 3.08Å; A452-K456 PolarHBondContact O-N 3.41Å
453V85.3Confident79.4Confident0 Ų073 Ų730%035%0.349CS..Hα-helixtrans-61.8-39171.6-178.30000111.4V445 E447 N449 K456 L457 Y588 W591 L592V445-V453 HydrophobicContact CG1-CB 4.14Å; V445-V453 HydrophobicContact CG1-CG1 3.67Å; V445-V453 HydrophobicContact CG1-CG2 3.29Å; E447-V453 HydrophobicContact CB-CG2 3.91Å; E447-V453 WeakPolarHBondContact O-CG2 3.44Å; N449-V453 WeakPolarHBondContact O-CG2 3.45Å; N449-V453 PolarHBondContact O-N 3.1Å; V453-K456 PolarHBondContact O-N 3.45Å; V453-L457 PolarHBondContact O-N 2.94Å; V453-Y588 HydrophobicContact CG1-CD1 3.53Å; V453-Y588 HydrophobicContact CG1-CE1 4.01Å; V453-Y588 HydrophobicContact CG1-CG 4.43Å; V453-W591 HydrophobicContact CB-CE3 4.12Å; V453-W591 HydrophobicContact CB-CH2 4.42Å; V453-W591 HydrophobicContact CB-CZ3 3.74Å; V453-W591 HydrophobicContact CG1-CD2 4.39Å; V453-W591 HydrophobicContact CG1-CE3 3.6Å; V453-W591 HydrophobicContact CG1-CZ3 3.79Å; V453-W591 HydrophobicContact CG2-CE3 4.17Å; V453-W591 HydrophobicContact CG2-CH2 3.79Å; V453-W591 HydrophobicContact CG2-CZ3 3.61Å; V453-L592 HydrophobicContact CB-CD2 4.13Å; V453-L592 HydrophobicContact CG1-CD1 4.32Å; V453-L592 HydrophobicContact CG1-CD2 3.95Å; V453-L592 HydrophobicContact CG1-CG 4.01Å
454G85Confident81.4Confident0 Ų067.7 Ų67.70%032%0.323CS..Hα-helixtrans-60.7-43173.100000113.6I450 A452 L457 C458I450-G454 PolarHBondContact O-N 3.11Å; A452-G454 VanDerWaalsContact C-N 3.31Å; A452-G454 PolarHBondContact O-N 3.43Å; G454-L457 WeakPolarHBondContact O-CB 3.38Å; G454-L457 PolarHBondContact O-N 3.11Å; G454-C458 PolarHBondContact O-N 3.45Å
455R86.3Confident83.1Confident161 Ų16167.6 Ų67.661%0.60832%0.318SS*.Hα-helixtrans-63.9-41173.2-73.5-173-65.4151.21.5112.2E451 A452 C458 E459E451-R455 PolarHBondContact O-N 3.43Å; E451-R455 VanDerWaalsContact O-N 3.11Å; A452-R455 PolarHBondContact O-N 3.08Å; R455-C458 WeakPolarHBondContact O-CB 3.47Å; R455-C458 PolarHBondContact O-N 2.89Å; R455-E459 PolarHBondContact O-N 3Å
456K87.1Confident84.8Confident66 Ų6672.3 Ų72.329%0.28734%0.34SS..Hα-helixtrans-63.8-39.4174.7-73-70.2168.3-1570112.5A452 V453 C458 E459 Y460 Y588A452-K456 PolarHBondContact O-N 3.41Å; V453-K456 PolarHBondContact O-N 3.45Å; K456-C458 VanDerWaalsContact C-N 3.32Å; K456-C458 PolarHBondContact O-N 3.42Å; K456-E459 WeakPolarHBondContact CD-OE2 3.22Å; K456-E459 IonicContact NZ-OE1 3.88Å; K456-E459 IonicContact NZ-OE2 3.66Å; K456-E459 PolarHBondContact NZ-OE2 3.39Å; K456-E459 PolarHBondContact O-N 3.31Å; K456-Y460 HydrophobicContact CB-CE2 4.4Å; K456-Y460 WeakPolarHBondContact O-CD2 3.33Å; K456-Y460 PolarHBondContact O-N 3.35Å; K456-Y588 HydrophobicContact CB-CD1 4.06Å; K456-Y588 HydrophobicContact CB-CE1 3.52Å; K456-Y588 HydrophobicContact CG-CE1 4.4Å
457L89Confident86.2Confident0 Ų066.3 Ų66.30%031%0.314CS..Hα-helixtrans-58.2-45.4171.917665.1000110.8V453 G454 E459 Y460 H461 R585 L589 L592 W605 L606V453-L457 PolarHBondContact O-N 2.94Å; G454-L457 WeakPolarHBondContact O-CB 3.38Å; G454-L457 PolarHBondContact O-N 3.11Å; L457-E459 PolarHBondContact O-N 3.08Å; L457-Y460 PolarHBondContact O-N 3.5Å; L457-H461 WeakPolarHBondContact O-CB 3.26Å; L457-H461 PolarHBondContact O-N 2.98Å; L457-R585 HydrophobicContact CD1-CG 3.73Å; L457-R585 WeakPolarHBondContact CD1-O 3.45Å; L457-L589 HydrophobicContact CD1-CB 4.46Å; L457-L592 HydrophobicContact CB-CD1 4.21Å; L457-L592 HydrophobicContact CD2-CD1 3.6Å; L457-W605 HydrophobicContact CD2-CB 4.44Å; L457-L606 HydrophobicContact CD2-CD2 4.45Å
458C87.4Confident87.5Confident57 Ų5764.8 Ų64.839%0.38531%0.308SS..Hα-helixtrans-60-44.5176.6-174.80000112G454 R455 K456 H461 Q462G454-C458 PolarHBondContact O-N 3.45Å; R455-C458 WeakPolarHBondContact O-CB 3.47Å; R455-C458 PolarHBondContact O-N 2.89Å; K456-C458 VanDerWaalsContact C-N 3.32Å; K456-C458 PolarHBondContact O-N 3.42Å; C458-H461 PolarHBondContact O-N 3.09Å; C458-Q462 WeakPolarHBondContact O-CB 3.5Å; C458-Q462 PolarHBondContact O-N 3.23Å
459E89.8Confident88.7Confident87 Ų8763.4 Ų63.441%0.40730%0.295SS..Hα-helixtrans-60.9-49.1176.9-71.9172-16500111.8R455 K456 L457 Q462 Q463R455-E459 PolarHBondContact O-N 3Å; K456-E459 WeakPolarHBondContact CD-OE2 3.22Å; K456-E459 IonicContact NZ-OE1 3.88Å; K456-E459 IonicContact NZ-OE2 3.66Å; K456-E459 PolarHBondContact NZ-OE2 3.39Å; K456-E459 PolarHBondContact O-N 3.31Å; L457-E459 PolarHBondContact O-N 3.08Å; E459-Q462 PolarHBondContact O-N 3.32Å; E459-Q463 WeakPolarHBondContact O-CG 3.34Å; E459-Q463 PolarHBondContact O-N 2.94Å
460Y89.8Confident89.3Confident65 Ų6562.2 Ų62.226%0.25529%0.286SS..Hα-helixtrans-68-35.9178.8-72.9-57000112.6K456 L457 Y464 L581 T584 Y588K456-Y460 HydrophobicContact CB-CE2 4.4Å; K456-Y460 WeakPolarHBondContact O-CD2 3.33Å; K456-Y460 PolarHBondContact O-N 3.35Å; L457-Y460 PolarHBondContact O-N 3.5Å; Y460-Y464 VanDerWaalsContact O-CB 3.32Å; Y460-Y464 WeakPolarHBondContact O-CB 3.39Å; Y460-Y464 PolarHBondContact O-N 3.41Å; Y460-L581 HydrophobicContact CD1-CD2 4.09Å; Y460-T584 HydrophobicContact CD1-CG2 4.36Å; Y460-T584 HydrophobicContact CD2-CG2 4.12Å; Y460-T584 HydrophobicContact CE1-CG2 4.3Å; Y460-T584 HydrophobicContact CE2-CG2 4.06Å; Y460-T584 HydrophobicContact CG-CG2 4.29Å; Y460-Y588 HydrophobicContact CD2-CE2 4.31Å; Y460-Y588 HydrophobicContact CE2-CE1 4.29Å; Y460-Y588 HydrophobicContact CE2-CE2 4Å; Y460-Y588 AromaticContact CE2-CZ 3.79Å
461H91.1Very high89.9Confident23 Ų2361.4 Ų61.411%0.10628%0.28CS..Hα-helixtrans-64.2-45175.4-175.674.5000111.2L457 C458 Y464 Q465 L606L457-H461 WeakPolarHBondContact O-CB 3.26Å; L457-H461 PolarHBondContact O-N 2.98Å; C458-H461 PolarHBondContact O-N 3.09Å; H461-Y464 WeakPolarHBondContact O-CB 3.21Å; H461-Y464 PolarHBondContact O-N 2.95Å; H461-Q465 PolarHBondContact NE2-NE2 2.66Å; H461-Q465 WeakPolarHBondContact O-CG 3.28Å; H461-Q465 PolarHBondContact O-N 3.39Å; H461-L606 HydrophobicContact CB-CD2 4.45Å; H461-L606 PolarHBondContact CD2-O 3.36Å; H461-L606 PolarHBondContact NE2-O 3.44Å
462Q90.8Very high90.4Very high85 Ų8560 Ų6040%0.39728%0.276SS..Hα-helixtrans-61.5-47.3176.2-177.563.323.800111.7C458 E459 Y464 Q465 E466C458-Q462 WeakPolarHBondContact O-CB 3.5Å; C458-Q462 PolarHBondContact O-N 3.23Å; E459-Q462 PolarHBondContact O-N 3.32Å; Q462-Y464 VanDerWaalsContact C-N 3.31Å; Q462-Y464 PolarHBondContact O-N 3.18Å; Q462-Q465 PolarHBondContact O-N 3.37Å; Q462-E466 PolarHBondContact NE2-OE1 3.5Å; Q462-E466 WeakPolarHBondContact O-CG 3.34Å; Q462-E466 PolarHBondContact O-N 2.91Å
463Q92.5Very high90.9Very high88 Ų8866.6 Ų66.641%0.41130%0.298SS..Hα-helixtrans-60.3-41.5176.4-72.5174.127.400112.1E459 E466 K467 L581E459-Q463 WeakPolarHBondContact O-CG 3.34Å; E459-Q463 PolarHBondContact O-N 2.94Å; Q463-E466 PolarHBondContact O-N 2.98Å; Q463-K467 WeakPolarHBondContact O-CB 3.47Å; Q463-K467 WeakPolarHBondContact O-CG 3.5Å; Q463-K467 PolarHBondContact O-N 3.45Å; Q463-L581 HydrophobicContact CB-CD1 4.33Å; Q463-L581 HydrophobicContact CB-CD2 4.1Å
464Y92.5Very high91.4Very high42 Ų4267.2 Ų67.217%0.16530%0.301CS..Hα-helixtrans-60.3-47.3174.1171.2-97.2000111.4Y460 H461 Q462 K467 N468 L578 L581 R582Y460-Y464 VanDerWaalsContact O-CB 3.32Å; Y460-Y464 WeakPolarHBondContact O-CB 3.39Å; Y460-Y464 PolarHBondContact O-N 3.41Å; H461-Y464 WeakPolarHBondContact O-CB 3.21Å; H461-Y464 PolarHBondContact O-N 2.95Å; Q462-Y464 VanDerWaalsContact C-N 3.31Å; Q462-Y464 PolarHBondContact O-N 3.18Å; Y464-K467 PolarHBondContact O-N 2.98Å; Y464-N468 VanDerWaalsContact O-CB 3.32Å; Y464-N468 WeakPolarHBondContact O-CB 3.5Å; Y464-N468 PolarHBondContact O-N 2.91Å; Y464-L578 HydrophobicContact CD2-CD1 3.66Å; Y464-L578 HydrophobicContact CD2-CG 4.35Å; Y464-L578 HydrophobicContact CE2-CD1 3.5Å; Y464-L578 HydrophobicContact CE2-CG 3.9Å; Y464-L581 HydrophobicContact CD2-CB 4.24Å; Y464-R582 HydrophobicContact CD2-CB 4.15Å; Y464-R582 HydrophobicContact CE2-CB 3.85Å
465Q90.9Very high91.8Very high62 Ų6273.1 Ų73.129%0.2932%0.324SS..Hα-helixtrans-61.9-44.6178.3-73.5-166.9400112.3H461 Q462 N468 K469H461-Q465 PolarHBondContact NE2-NE2 2.66Å; H461-Q465 WeakPolarHBondContact O-CG 3.28Å; H461-Q465 PolarHBondContact O-N 3.39Å; Q462-Q465 PolarHBondContact O-N 3.37Å; Q465-N468 PolarHBondContact O-N 2.97Å; Q465-K469 WeakPolarHBondContact O-CG 3.39Å; Q465-K469 PolarHBondContact O-N 3.2Å
466E93.2Very high92.3Very high104 Ų10471 Ų7149%0.48632%0.321SS..Hα-helixtrans-62.8-44.7178.5-74173.9-171.100111.7Q462 Q463 K469 E470Q462-E466 PolarHBondContact NE2-OE1 3.5Å; Q462-E466 WeakPolarHBondContact O-CG 3.34Å; Q462-E466 PolarHBondContact O-N 2.91Å; Q463-E466 PolarHBondContact O-N 2.98Å; E466-K469 PolarHBondContact O-N 2.69Å; E466-E470 PolarHBondContact O-N 2.87Å
467K93.4Very high92.6Very high62 Ų6272.3 Ų72.327%0.2733%0.328SS..Hα-helixtrans-66.1-36.3175.6-77.7-73.5173.5-167.50112.7Q463 Y464 E470 Y471 I574 L578 L581Q463-K467 WeakPolarHBondContact O-CB 3.47Å; Q463-K467 WeakPolarHBondContact O-CG 3.5Å; Q463-K467 PolarHBondContact O-N 3.45Å; Y464-K467 PolarHBondContact O-N 2.98Å; K467-E470 WeakPolarHBondContact CD-OE2 3.49Å; K467-E470 IonicContact NZ-OE2 3.76Å; K467-E470 PolarHBondContact NZ-OE2 2.8Å; K467-E470 PolarHBondContact O-N 2.94Å; K467-Y471 PolarHBondContact O-N 3.43Å; K467-I574 HydrophobicContact CD-CG2 4.23Å; K467-L578 HydrophobicContact CB-CD1 4.18Å; K467-L581 HydrophobicContact CB-CD1 4.28Å; K467-L581 HydrophobicContact CG-CD1 3.97Å
468N92.6Very high92.9Very high44 Ų4475.2 Ų75.224%0.23534%0.34CS..Hα-helixtrans-64.8-46.5174.2-157.586.1000110.8Y464 Q465 E470 Y471 D472 L578Y464-N468 VanDerWaalsContact O-CB 3.32Å; Y464-N468 WeakPolarHBondContact O-CB 3.5Å; Y464-N468 PolarHBondContact O-N 2.91Å; Q465-N468 PolarHBondContact O-N 2.97Å; N468-E470 VanDerWaalsContact C-N 3.28Å; N468-E470 PolarHBondContact O-N 3.42Å; N468-Y471 WeakPolarHBondContact O-CB 3.4Å; N468-Y471 PolarHBondContact O-N 3.01Å; N468-Y471 VanDerWaalsContact O-N 3.07Å; N468-D472 PolarHBondContact ND2-OD2 2.89Å; N468-D472 PolarHBondContact O-N 3.34Å; N468-L578 HydrophobicContact CB-CD1 3.99Å
469K94.3Very high93.3Very high120 Ų12074.9 Ų74.952%0.52234%0.336SS..Hα-helixtrans-61.6-33.9174.8-71.7173.2-178175.10112.8Q465 E466 R473Q465-K469 WeakPolarHBondContact O-CG 3.39Å; Q465-K469 PolarHBondContact O-N 3.2Å; E466-K469 PolarHBondContact O-N 2.69Å; K469-R473 VanDerWaalsContact O-CG 3.31Å; K469-R473 WeakPolarHBondContact O-CG 3.35Å; K469-R473 PolarHBondContact O-N 3.33Å; K469-R473 PolarHBondContact O-NE 3.42Å
470E94.8Very high93.5Very high70 Ų7077.3 Ų77.333%0.32734%0.341SS..Hα-helixtrans-65.6-45.3171.5-171.7-179.2-170.200111.3E466 K467 N468 R473 L474 I574E466-E470 PolarHBondContact O-N 2.87Å; K467-E470 WeakPolarHBondContact CD-OE2 3.49Å; K467-E470 IonicContact NZ-OE2 3.76Å; K467-E470 PolarHBondContact NZ-OE2 2.8Å; K467-E470 PolarHBondContact O-N 2.94Å; N468-E470 VanDerWaalsContact C-N 3.28Å; N468-E470 PolarHBondContact O-N 3.42Å; E470-R473 PolarHBondContact O-N 3.42Å; E470-L474 HydrophobicContact CG-CD1 4.5Å; E470-L474 WeakPolarHBondContact O-CG 3.44Å; E470-L474 PolarHBondContact O-N 3.18Å; E470-L474 VanDerWaalsContact O-N 3.08Å; E470-I574 HydrophobicContact CG-CD1 3.89Å
471Y95.2Very high93.7Very high45 Ų4575 Ų7518%0.17634%0.335CS..Hα-helixtrans-62.4-45176.8-176-95.3000112.6K467 N468 R473 L474 Y475 M571 I574 K575K467-Y471 PolarHBondContact O-N 3.43Å; N468-Y471 WeakPolarHBondContact O-CB 3.4Å; N468-Y471 PolarHBondContact O-N 3.01Å; N468-Y471 VanDerWaalsContact O-N 3.07Å; Y471-R473 PolarHBondContact O-N 2.96Å; Y471-L474 PolarHBondContact O-N 3.16Å; Y471-Y475 WeakPolarHBondContact O-CB 3.4Å; Y471-Y475 PolarHBondContact O-N 2.87Å; Y471-M571 HydrophobicContact CE2-CB 4.09Å; Y471-M571 HydrophobicContact CE2-CE 3.98Å; Y471-M571 HydrophobicContact CE2-CG 4.29Å; Y471-I574 HydrophobicContact CD2-CG2 4.48Å; Y471-K575 HydrophobicContact CE2-CD 4.46Å; Y471-K575 HydrophobicContact CE2-CG 3.77Å; Y471-K575 VanDerWaalsContact OH-CE 3.31Å; Y471-K575 WeakPolarHBondContact OH-CE 3.36Å
472D93.3Very high93.9Very high69 Ų6976.2 Ų76.237%0.36935%0.345SS..Hα-helixtrans-60.9-44.5179.4-62.7-27.5000110.9N468 L474 Y475 E476N468-D472 PolarHBondContact ND2-OD2 2.89Å; N468-D472 PolarHBondContact O-N 3.34Å; D472-L474 PolarHBondContact O-N 3.36Å; D472-Y475 WeakPolarHBondContact O-CB 3.31Å; D472-Y475 PolarHBondContact O-N 3.47Å; D472-E476 WeakPolarHBondContact O-CG 3.46Å; D472-E476 PolarHBondContact O-N 2.86Å
473R95.2Very high94.2Very high149 Ų14978 Ų7856%0.56235%0.354SS*.Hα-helixtrans-59.5-45.8174.1-76.4-179.4-72.9176.7-0.1112.5K469 E470 Y471 Y475 E476 E477K469-R473 VanDerWaalsContact O-CG 3.31Å; K469-R473 WeakPolarHBondContact O-CG 3.35Å; K469-R473 PolarHBondContact O-N 3.33Å; K469-R473 PolarHBondContact O-NE 3.42Å; E470-R473 PolarHBondContact O-N 3.42Å; Y471-R473 PolarHBondContact O-N 2.96Å; R473-Y475 VanDerWaalsContact C-N 3.28Å; R473-Y475 PolarHBondContact O-N 3.21Å; R473-E476 PolarHBondContact O-N 2.78Å; R473-E477 WeakPolarHBondContact O-CG 3.49Å; R473-E477 PolarHBondContact O-N 2.97Å
474L95.1Very high94.3Very high13 Ų1377.5 Ų77.57%0.06835%0.351CS..Hα-helixtrans-64.2-34.8176.7-71.1171.2000112E470 Y471 D472 E477 Y478 I567 R570 M571 I574E470-L474 HydrophobicContact CG-CD1 4.5Å; E470-L474 WeakPolarHBondContact O-CG 3.44Å; E470-L474 PolarHBondContact O-N 3.18Å; E470-L474 VanDerWaalsContact O-N 3.08Å; Y471-L474 PolarHBondContact O-N 3.16Å; D472-L474 PolarHBondContact O-N 3.36Å; L474-E477 PolarHBondContact O-N 3.05Å; L474-Y478 WeakPolarHBondContact O-CB 3.31Å; L474-Y478 PolarHBondContact O-N 2.51Å; L474-I567 HydrophobicContact CB-CG2 4.41Å; L474-I567 HydrophobicContact CD2-CG2 4.38Å; L474-I567 WeakPolarHBondContact O-CG2 3.46Å; L474-R570 HydrophobicContact CD1-CB 3.99Å; L474-R570 HydrophobicContact CD2-CB 4.46Å; L474-M571 HydrophobicContact CB-CG 3.63Å; L474-M571 HydrophobicContact CB-SD 4.3Å; L474-M571 HydrophobicContact CD1-CG 4.18Å; L474-I574 HydrophobicContact CD1-CD1 3.51Å
475Y94.4Very high94.4Very high124 Ų12476.1 Ų76.149%0.48635%0.347SS..Hα-helixtrans-68.4-39.6177.4-172.5-93.5000112.3Y471 D472 R473 Y478 T479 M571Y471-Y475 WeakPolarHBondContact O-CB 3.4Å; Y471-Y475 PolarHBondContact O-N 2.87Å; D472-Y475 WeakPolarHBondContact O-CB 3.31Å; D472-Y475 PolarHBondContact O-N 3.47Å; R473-Y475 VanDerWaalsContact C-N 3.28Å; R473-Y475 PolarHBondContact O-N 3.21Å; Y475-Y478 WeakPolarHBondContact O-CB 3.4Å; Y475-Y478 PolarHBondContact O-N 3.26Å; Y475-T479 WeakPolarHBondContact O-CB 3.48Å; Y475-T479 PolarHBondContact O-N 3.47Å; Y475-T479 PolarHBondContact O-OG1 3.02Å; Y475-M571 HydrophobicContact CD2-CE 3.79Å
476E95.5Very high94.7Very high115 Ų11578.1 Ų78.154%0.53736%0.356SS..Hα-helixtrans-62.5-46.4171.8-71.6176.5-168.300111.7D472 R473 T479 R480D472-E476 WeakPolarHBondContact O-CG 3.46Å; D472-E476 PolarHBondContact O-N 2.86Å; R473-E476 PolarHBondContact O-N 2.78Å; E476-T479 PolarHBondContact O-N 2.67Å; E476-R480 WeakPolarHBondContact O-CB 3.35Å; E476-R480 PolarHBondContact O-N 3.46Å
477E94.9Very high94.8Very high94 Ų9479.5 Ų79.544%0.43936%0.364SS..Hα-helixtrans-62.1-42175.8-74.1179.8-175.200111.9R473 L474 T481 I567R473-E477 WeakPolarHBondContact O-CG 3.49Å; R473-E477 PolarHBondContact O-N 2.97Å; L474-E477 PolarHBondContact O-N 3.05Å; E477-T481 WeakPolarHBondContact O-CB 3.08Å; E477-T481 PolarHBondContact O-N 2.87Å; E477-T481 PolarHBondContact O-OG1 3.39Å; E477-I567 HydrophobicContact CB-CD1 4.1Å
478Y95.4Very high94.9Very high61 Ų6178.8 Ų78.824%0.23936%0.361CS..Hα-helixtrans-58.4-49.7175.7173.8-92.2000111.5L474 Y475 T481 S482 Y564 I567 D568 M571L474-Y478 WeakPolarHBondContact O-CB 3.31Å; L474-Y478 PolarHBondContact O-N 2.51Å; Y475-Y478 WeakPolarHBondContact O-CB 3.4Å; Y475-Y478 PolarHBondContact O-N 3.26Å; Y478-T481 PolarHBondContact O-N 2.81Å; Y478-S482 WeakPolarHBondContact O-CB 3.36Å; Y478-S482 PolarHBondContact O-N 2.89Å; Y478-Y564 HydrophobicContact CD2-CD2 4.06Å; Y478-Y564 AromaticContact CD2-CE2 3.59Å; Y478-Y564 HydrophobicContact CD2-CE2 3.59Å; Y478-Y564 HydrophobicContact CE1-CE2 4.35Å; Y478-Y564 HydrophobicContact CE2-CD2 4.09Å; Y478-Y564 HydrophobicContact CE2-CE1 4.22Å; Y478-Y564 AromaticContact CE2-CE2 3.24Å; Y478-Y564 HydrophobicContact CE2-CE2 3.24Å; Y478-Y564 AromaticContact CE2-CZ 3.33Å; Y478-Y564 WeakPolarHBondContact CE2-OH 3.42Å; Y478-Y564 HydrophobicContact CG-CE2 4.3Å; Y478-Y564 AromaticContact CZ-CE2 3.68Å; Y478-Y564 AromaticContact CZ-CZ 3.68Å; Y478-Y564 PolarHBondContact OH-OH 3.33Å; Y478-I567 HydrophobicContact CD2-CG2 4.4Å; Y478-D568 HydrophobicContact CE2-CB 4.4Å; Y478-M571 HydrophobicContact CD2-SD 4.21Å; Y478-M571 HydrophobicContact CG-SD 4.15Å
479T94.4Very high95.1Very high50 Ų5082.8 Ų82.831%0.30737%0.373SS..Hα-helixtrans-65.6-44.6-177.6-57.90000111.2Y475 E476 S482 Q483Y475-T479 WeakPolarHBondContact O-CB 3.48Å; Y475-T479 PolarHBondContact O-N 3.47Å; Y475-T479 PolarHBondContact O-OG1 3.02Å; E476-T479 PolarHBondContact O-N 2.67Å; T479-S482 WeakPolarHBondContact O-CB 3.32Å; T479-S482 PolarHBondContact O-N 3.17Å; T479-Q483 WeakPolarHBondContact O-CG 3.41Å; T479-Q483 PolarHBondContact O-N 2.97Å; T479-Q483 VanDerWaalsContact O-N 3.1Å
480R95.3Very high95.2Very high138 Ų13880.6 Ų80.652%0.52137%0.37SS..Hα-helixtrans-60.2-49.4175.3-171.5-169.1-44.7-133-0.2111.9E476 S482 Q483 E484E476-R480 WeakPolarHBondContact O-CB 3.35Å; E476-R480 PolarHBondContact O-N 3.46Å; R480-S482 VanDerWaalsContact C-N 3.29Å; R480-S482 PolarHBondContact O-N 3.36Å; R480-Q483 PolarHBondContact O-N 3.43Å; R480-E484 WeakPolarHBondContact O-CG 3.43Å; R480-E484 PolarHBondContact O-N 2.83Å
481T94Very high95.3Very high18 Ų1879 Ų7911%0.1137%0.368CS..Hα-helixtrans-62.3-38.1179.7-56.80000111.4E477 Y478 E484 I485 Q560 Y564E477-T481 WeakPolarHBondContact O-CB 3.08Å; E477-T481 PolarHBondContact O-N 2.87Å; E477-T481 PolarHBondContact O-OG1 3.39Å; Y478-T481 PolarHBondContact O-N 2.81Å; T481-E484 PolarHBondContact O-N 2.91Å; T481-I485 HydrophobicContact CG2-CD1 4.15Å; T481-I485 WeakPolarHBondContact O-CB 3.42Å; T481-I485 VanDerWaalsContact O-CG1 3.26Å; T481-I485 WeakPolarHBondContact O-CG1 3.47Å; T481-I485 PolarHBondContact O-N 3.03Å; T481-Q560 HydrophobicContact CG2-CG 3.55Å; T481-Y564 HydrophobicContact CG2-CD2 4.35Å
482S95.3Very high95.3Very high48 Ų4877.5 Ų77.534%0.33636%0.363SS..Hα-helixtrans-61-46175.1-173.70000112.1Y478 T479 R480 I485 Q486Y478-S482 WeakPolarHBondContact O-CB 3.36Å; Y478-S482 PolarHBondContact O-N 2.89Å; T479-S482 WeakPolarHBondContact O-CB 3.32Å; T479-S482 PolarHBondContact O-N 3.17Å; R480-S482 VanDerWaalsContact C-N 3.29Å; R480-S482 PolarHBondContact O-N 3.36Å; S482-I485 PolarHBondContact O-N 3.17Å; S482-Q486 PolarHBondContact O-N 3.38Å; S482-Q486 VanDerWaalsContact O-N 3.08Å
483Q95.9Very high95.5Very high122 Ų12280.2 Ų80.257%0.5737%0.373SS*.Hα-helixtrans-63-46.1176.3-70.2174.3-5.100111.6T479 R480 I485 Q486 M487T479-Q483 WeakPolarHBondContact O-CG 3.41Å; T479-Q483 PolarHBondContact O-N 2.97Å; T479-Q483 VanDerWaalsContact O-N 3.1Å; R480-Q483 PolarHBondContact O-N 3.43Å; Q483-I485 VanDerWaalsContact C-N 3.35Å; Q483-I485 PolarHBondContact O-N 3.08Å; Q483-Q486 WeakPolarHBondContact O-CB 3.49Å; Q483-Q486 PolarHBondContact O-N 3.46Å; Q483-Q486 VanDerWaalsContact O-N 3.11Å; Q483-M487 WeakPolarHBondContact O-CG 3.27Å; Q483-M487 PolarHBondContact O-N 3.16Å
484E95.1Very high95.5Very high77 Ų7775.7 Ų75.736%0.3637%0.368SS..Hα-helixtrans-61.9-39.9178-73.3-178.8-150.500112.5R480 T481 Q486 M487 K488 Q560R480-E484 WeakPolarHBondContact O-CG 3.43Å; R480-E484 PolarHBondContact O-N 2.83Å; T481-E484 PolarHBondContact O-N 2.91Å; E484-Q486 VanDerWaalsContact C-N 3.31Å; E484-Q486 PolarHBondContact O-N 3.38Å; E484-M487 PolarHBondContact O-N 3.41Å; E484-K488 WeakPolarHBondContact O-CB 3.06Å; E484-K488 WeakPolarHBondContact O-CG 3.49Å; E484-K488 PolarHBondContact O-N 3.03Å; E484-Q560 PolarHBondContact OE2-NE2 3.14Å
485I95.1Very high95.6Very high13 Ų1377.8 Ų77.87%0.06738%0.377CS..Hα-helixtrans-57.8-45.8172.3-76.9170.9000110.5T481 S482 Q483 K488 R489 L557 Q560 Y564T481-I485 HydrophobicContact CG2-CD1 4.15Å; T481-I485 WeakPolarHBondContact O-CB 3.42Å; T481-I485 VanDerWaalsContact O-CG1 3.26Å; T481-I485 WeakPolarHBondContact O-CG1 3.47Å; T481-I485 PolarHBondContact O-N 3.03Å; S482-I485 PolarHBondContact O-N 3.17Å; Q483-I485 VanDerWaalsContact C-N 3.35Å; Q483-I485 PolarHBondContact O-N 3.08Å; I485-K488 PolarHBondContact O-N 3.09Å; I485-R489 WeakPolarHBondContact O-CG 3.46Å; I485-R489 PolarHBondContact O-N 3.44Å; I485-L557 HydrophobicContact CB-CD1 4.25Å; I485-L557 HydrophobicContact CG1-CD1 4.25Å; I485-L557 HydrophobicContact CG2-CD1 3.89Å; I485-Q560 HydrophobicContact CD1-CG 4.24Å; I485-Q560 HydrophobicContact CG1-CB 4.25Å; I485-Q560 HydrophobicContact CG1-CG 3.78Å; I485-Y564 HydrophobicContact CD1-CD2 4.27Å; I485-Y564 HydrophobicContact CD1-CG 4.02Å
486Q96.5Very high95.7Very high104 Ų10475.1 Ų75.149%0.48637%0.371SS..Hα-helixtrans-64.5-44.3-180-172.462.113.100111.5S482 Q483 E484 K488 R489 T490S482-Q486 PolarHBondContact O-N 3.38Å; S482-Q486 VanDerWaalsContact O-N 3.08Å; Q483-Q486 WeakPolarHBondContact O-CB 3.49Å; Q483-Q486 PolarHBondContact O-N 3.46Å; Q483-Q486 VanDerWaalsContact O-N 3.11Å; E484-Q486 VanDerWaalsContact C-N 3.31Å; E484-Q486 PolarHBondContact O-N 3.38Å; Q486-K488 VanDerWaalsContact C-N 3.34Å; Q486-K488 PolarHBondContact O-N 3.15Å; Q486-R489 WeakPolarHBondContact O-CB 3.21Å; Q486-R489 PolarHBondContact O-N 3.08Å; Q486-T490 PolarHBondContact O-N 3.19Å; Q486-T490 PolarHBondContact O-OG1 3.05Å
487M95.9Very high95.8Very high133 Ų13374.4 Ų74.466%0.65537%0.368SS*.Hα-helixtrans-58.8-44.7175.3-68.3170.467.600111.8Q483 E484 T490 A491Q483-M487 WeakPolarHBondContact O-CG 3.27Å; Q483-M487 PolarHBondContact O-N 3.16Å; E484-M487 PolarHBondContact O-N 3.41Å; M487-T490 PolarHBondContact O-N 3.03Å; M487-A491 WeakPolarHBondContact O-CB 3.43Å; M487-A491 PolarHBondContact O-N 2.99Å
488K95.8Very high95.8Very high48 Ų4872.5 Ų72.521%0.20936%0.363CS..Hα-helixtrans-64.7-38.4177.3-73-177.4-179.7165.70112.4E484 I485 Q486 A491 I492 L553 L557 Q560E484-K488 WeakPolarHBondContact O-CB 3.06Å; E484-K488 WeakPolarHBondContact O-CG 3.49Å; E484-K488 PolarHBondContact O-N 3.03Å; I485-K488 PolarHBondContact O-N 3.09Å; Q486-K488 VanDerWaalsContact C-N 3.34Å; Q486-K488 PolarHBondContact O-N 3.15Å; K488-A491 PolarHBondContact O-N 2.88Å; K488-I492 WeakPolarHBondContact O-CD1 3.31Å; K488-I492 VanDerWaalsContact O-CG1 3.3Å; K488-I492 WeakPolarHBondContact O-CG1 3.39Å; K488-I492 PolarHBondContact O-N 2.9Å; K488-L553 HydrophobicContact CB-CD1 4.45Å; K488-L553 HydrophobicContact CD-CD1 4.25Å; K488-L553 HydrophobicContact CG-CD1 3.99Å; K488-L557 HydrophobicContact CB-CD1 4.08Å; K488-Q560 VanDerWaalsContact CE-OE1 3.27Å
489R96.1Very high95.8Very high128 Ų12870.3 Ų70.348%0.48336%0.355SS..Hα-helixtrans-60.7-49.8174.1-76174.2176.7178.3-0.5111.7I485 Q486 A491 I492 E493 L557I485-R489 WeakPolarHBondContact O-CG 3.46Å; I485-R489 PolarHBondContact O-N 3.44Å; Q486-R489 WeakPolarHBondContact O-CB 3.21Å; Q486-R489 PolarHBondContact O-N 3.08Å; R489-A491 VanDerWaalsContact C-N 3.28Å; R489-A491 PolarHBondContact O-N 2.71Å; R489-I492 PolarHBondContact O-N 2.83Å; R489-I492 VanDerWaalsContact O-N 3.13Å; R489-E493 PolarHBondContact O-N 2.78Å; R489-L557 HydrophobicContact CG-CD1 4.21Å; R489-L557 HydrophobicContact CG-CD2 3.91Å
490T96.8Very high95.8Very high74 Ų7472.5 Ų72.545%0.45436%0.36SS..Hα-helixtrans-61.4-38.2177-57.60000111.7Q486 M487 E493 A494Q486-T490 PolarHBondContact O-N 3.19Å; Q486-T490 PolarHBondContact O-OG1 3.05Å; M487-T490 PolarHBondContact O-N 3.03Å; T490-E493 PolarHBondContact O-N 2.89Å; T490-A494 PolarHBondContact O-N 3.08Å
491A96.3Very high95.8Very high35 Ų3570 Ų7029%0.28936%0.356SS..Hα-helixtrans-64.7-39.9174.300000112.4M487 K488 R489 A494 F495 L553M487-A491 WeakPolarHBondContact O-CB 3.43Å; M487-A491 PolarHBondContact O-N 2.99Å; K488-A491 PolarHBondContact O-N 2.88Å; R489-A491 VanDerWaalsContact C-N 3.28Å; R489-A491 PolarHBondContact O-N 2.71Å; A491-A494 WeakPolarHBondContact O-CB 3.4Å; A491-A494 PolarHBondContact O-N 2.73Å; A491-F495 WeakPolarHBondContact O-CD2 3.41Å; A491-F495 PolarHBondContact O-N 2.89Å; A491-L553 HydrophobicContact CB-CD2 3.7Å
492I96Very high95.9Very high15 Ų1571.5 Ų71.58%0.07736%0.361CS..Hα-helixtrans-64.1-40.3174.7-70160.2000111.3K488 R489 A494 F495 N496 L553 E554 L557K488-I492 WeakPolarHBondContact O-CD1 3.31Å; K488-I492 VanDerWaalsContact O-CG1 3.3Å; K488-I492 WeakPolarHBondContact O-CG1 3.39Å; K488-I492 PolarHBondContact O-N 2.9Å; R489-I492 PolarHBondContact O-N 2.83Å; R489-I492 VanDerWaalsContact O-N 3.13Å; I492-A494 VanDerWaalsContact C-N 3.33Å; I492-A494 PolarHBondContact O-N 3.4Å; I492-F495 WeakPolarHBondContact O-CB 3.36Å; I492-F495 PolarHBondContact O-N 2.91Å; I492-N496 PolarHBondContact O-N 3.42Å; I492-N496 PolarHBondContact O-ND2 3.03Å; I492-L553 HydrophobicContact CD1-CG 4.37Å; I492-L553 HydrophobicContact CG1-CB 4.4Å; I492-L553 HydrophobicContact CG1-CD2 3.81Å; I492-L553 HydrophobicContact CG1-CG 3.98Å; I492-E554 HydrophobicContact CD1-CG 3.83Å; I492-E554 HydrophobicContact CG1-CG 4.18Å; I492-E554 HydrophobicContact CG2-CG 4.3Å; I492-L557 HydrophobicContact CD1-CB 4.19Å; I492-L557 HydrophobicContact CD1-CD2 3.52Å; I492-L557 HydrophobicContact CD1-CG 4.46Å
493E95.7Very high95.7Very high125 Ų12573.7 Ų73.758%0.58437%0.366SS*.Hα-helixtrans-61.5-41.9173.4-71172.1-175.800111.7R489 T490 F495 N496 E497R489-E493 PolarHBondContact O-N 2.78Å; T490-E493 PolarHBondContact O-N 2.89Å; E493-F495 VanDerWaalsContact C-N 3.35Å; E493-F495 PolarHBondContact O-N 2.75Å; E493-N496 WeakPolarHBondContact O-CB 3.41Å; E493-N496 PolarHBondContact O-N 2.9Å; E493-E497 PolarHBondContact O-N 3.18Å
494A96.6Very high95.7Very high55 Ų5572.2 Ų72.246%0.45536%0.359SS..Hα-helixtrans-63.7-38.817400000112.4T490 A491 I492 E497 T498T490-A494 PolarHBondContact O-N 3.08Å; A491-A494 WeakPolarHBondContact O-CB 3.4Å; A491-A494 PolarHBondContact O-N 2.73Å; I492-A494 VanDerWaalsContact C-N 3.33Å; I492-A494 PolarHBondContact O-N 3.4Å; A494-E497 PolarHBondContact O-N 3.37Å; A494-T498 WeakPolarHBondContact O-CB 3.39Å; A494-T498 PolarHBondContact O-N 3.43Å; A494-T498 PolarHBondContact O-OG1 3.23Å
495F97.3Very high95.6Very high56 Ų5673.4 Ų73.425%0.24637%0.365CS..Hα-helixtrans-63.1-41.7171.8-82.7-65.5000112A491 I492 E493 T498 I499 I546 K550 L553A491-F495 WeakPolarHBondContact O-CD2 3.41Å; A491-F495 PolarHBondContact O-N 2.89Å; I492-F495 WeakPolarHBondContact O-CB 3.36Å; I492-F495 PolarHBondContact O-N 2.91Å; E493-F495 VanDerWaalsContact C-N 3.35Å; E493-F495 PolarHBondContact O-N 2.75Å; F495-T498 PolarHBondContact O-N 3.16Å; F495-I499 WeakPolarHBondContact O-CB 3.13Å; F495-I499 WeakPolarHBondContact O-CD1 3.35Å; F495-I499 VanDerWaalsContact O-CG1 3.25Å; F495-I499 WeakPolarHBondContact O-CG1 3.38Å; F495-I499 PolarHBondContact O-N 3Å; F495-I546 HydrophobicContact CD1-CG2 3.92Å; F495-I546 HydrophobicContact CE1-CG2 4.43Å; F495-K550 HydrophobicContact CB-CB 4.03Å; F495-K550 HydrophobicContact CB-CD 4.34Å; F495-K550 HydrophobicContact CB-CG 4Å; F495-K550 HydrophobicContact CG-CB 4.19Å; F495-L553 HydrophobicContact CD2-CD2 3.91Å; F495-L553 HydrophobicContact CE2-CD2 3.73Å
496N95.4Very high95.4Very high68 Ų6873.3 Ų73.336%0.36437%0.365SS..Hα-helixtrans-60.2-46.6176.7-75.7-30.6000111.9I492 E493 T498 I499 K500 K550I492-N496 PolarHBondContact O-N 3.42Å; I492-N496 PolarHBondContact O-ND2 3.03Å; E493-N496 WeakPolarHBondContact O-CB 3.41Å; E493-N496 PolarHBondContact O-N 2.9Å; N496-T498 VanDerWaalsContact C-N 3.31Å; N496-T498 PolarHBondContact O-N 2.77Å; N496-I499 PolarHBondContact O-N 3.15Å; N496-K500 WeakPolarHBondContact O-CB 3.35Å; N496-K500 PolarHBondContact O-N 2.8Å; N496-K550 WeakPolarHBondContact OD1-CD 3.37Å; N496-K550 WeakPolarHBondContact OD1-CE 3.48Å; N496-K550 PolarHBondContact OD1-NZ 2.67Å
497E97.1Very high95.2Very high101 Ų10174.1 Ų74.147%0.47237%0.369SS..Hα-helixtrans-66.4-37.3177.9-163.861.7-153.700111.4E493 A494 K500 I501E493-E497 PolarHBondContact O-N 3.18Å; A494-E497 PolarHBondContact O-N 3.37Å; E497-K500 WeakPolarHBondContact O-CB 3.48Å; E497-K500 PolarHBondContact O-N 2.96Å; E497-K500 IonicContact OE1-NZ 3.18Å; E497-I501 WeakPolarHBondContact O-CG1 3.35Å; E497-I501 PolarHBondContact O-N 3.25Å
498T95.6Very high95Very high54 Ų5471.3 Ų71.333%0.33136%0.359SS..Hα-helixtrans-61.5-49.2174.4-57.60000110.9A494 F495 N496 K500 I501 F502 I546A494-T498 WeakPolarHBondContact O-CB 3.39Å; A494-T498 PolarHBondContact O-N 3.43Å; A494-T498 PolarHBondContact O-OG1 3.23Å; F495-T498 PolarHBondContact O-N 3.16Å; N496-T498 VanDerWaalsContact C-N 3.31Å; N496-T498 PolarHBondContact O-N 2.77Å; T498-K500 VanDerWaalsContact C-N 3.28Å; T498-K500 PolarHBondContact O-N 3.05Å; T498-I501 PolarHBondContact O-N 3.46Å; T498-F502 HydrophobicContact CG2-CD2 3.88Å; T498-F502 HydrophobicContact CG2-CE2 3.81Å; T498-F502 VanDerWaalsContact O-CD2 3.3Å; T498-F502 WeakPolarHBondContact O-CD2 3.39Å; T498-F502 PolarHBondContact O-N 3.22Å; T498-F502 VanDerWaalsContact O-N 3.1Å; T498-I546 HydrophobicContact CG2-CD1 4.29Å; T498-I546 HydrophobicContact CG2-CG2 4.48Å
499I95.1Very high94.7Very high14 Ų1471.5 Ų71.57%0.07236%0.361CS..Hα-helixtrans-57.3-45177.5-70.2161.5000110.2F495 N496 I501 F502 E503 I546 V547 K550F495-I499 WeakPolarHBondContact O-CB 3.13Å; F495-I499 WeakPolarHBondContact O-CD1 3.35Å; F495-I499 VanDerWaalsContact O-CG1 3.25Å; F495-I499 WeakPolarHBondContact O-CG1 3.38Å; F495-I499 PolarHBondContact O-N 3Å; N496-I499 PolarHBondContact O-N 3.15Å; I499-I501 PolarHBondContact O-N 3.46Å; I499-F502 CarbonylContact O-C 3.47Å; I499-F502 PolarHBondContact O-N 3.07Å; I499-F502 VanDerWaalsContact O-N 3.13Å; I499-E503 HydrophobicContact CG2-CG 4.16Å; I499-E503 WeakPolarHBondContact O-CG 3.39Å; I499-E503 PolarHBondContact O-N 3.44Å; I499-I546 HydrophobicContact CD1-CG2 4.3Å; I499-I546 HydrophobicContact CG1-CG2 3.7Å; I499-V547 HydrophobicContact CD1-CG2 3.86Å; I499-V547 HydrophobicContact CG1-CG2 4.13Å; I499-V547 HydrophobicContact CG2-CG2 4.38Å; I499-K550 HydrophobicContact CD1-CB 4.37Å; I499-K550 HydrophobicContact CD1-CD 3.63Å
500K95.8Very high94.3Very high97 Ų9769.7 Ų69.742%0.42236%0.358SS..Hα-helixtrans-58.1-45177.8-174.8-175.5171-161.30112.6N496 E497 T498 F502 E503 E504N496-K500 WeakPolarHBondContact O-CB 3.35Å; N496-K500 PolarHBondContact O-N 2.8Å; E497-K500 WeakPolarHBondContact O-CB 3.48Å; E497-K500 PolarHBondContact O-N 2.96Å; E497-K500 IonicContact OE1-NZ 3.18Å; T498-K500 VanDerWaalsContact C-N 3.28Å; T498-K500 PolarHBondContact O-N 3.05Å; K500-F502 VanDerWaalsContact C-N 3.32Å; K500-F502 PolarHBondContact O-N 2.93Å; K500-E503 PolarHBondContact O-N 2.92Å; K500-E504 WeakPolarHBondContact CE-OE1 3.2Å; K500-E504 WeakPolarHBondContact O-CG 3.34Å; K500-E504 PolarHBondContact O-N 3.03Å
501I95.6Very high94Very high85 Ų8575.5 Ų75.544%0.43637%0.372SS..Hα-helixtrans-60.3-43176.1-66.7163.8000110.9E497 T498 I499 E504 Q505E497-I501 WeakPolarHBondContact O-CG1 3.35Å; E497-I501 PolarHBondContact O-N 3.25Å; T498-I501 PolarHBondContact O-N 3.46Å; I499-I501 PolarHBondContact O-N 3.46Å; I501-E504 PolarHBondContact O-N 3.03Å; I501-Q505 WeakPolarHBondContact O-CG 3.37Å; I501-Q505 PolarHBondContact O-N 2.84Å
502F94.4Very high93.5Very high50 Ų5080.7 Ų80.722%0.21939%0.385CS..Hα-helixtrans-69.4-35177.3-83.1-85.8000112.8T498 I499 K500 Q505 C506 L539 R542 I543 I546T498-F502 HydrophobicContact CG2-CD2 3.88Å; T498-F502 HydrophobicContact CG2-CE2 3.81Å; T498-F502 VanDerWaalsContact O-CD2 3.3Å; T498-F502 WeakPolarHBondContact O-CD2 3.39Å; T498-F502 PolarHBondContact O-N 3.22Å; T498-F502 VanDerWaalsContact O-N 3.1Å; I499-F502 CarbonylContact O-C 3.47Å; I499-F502 PolarHBondContact O-N 3.07Å; I499-F502 VanDerWaalsContact O-N 3.13Å; K500-F502 VanDerWaalsContact C-N 3.32Å; K500-F502 PolarHBondContact O-N 2.93Å; F502-Q505 WeakPolarHBondContact O-CB 3.36Å; F502-Q505 PolarHBondContact O-N 3.25Å; F502-C506 PolarHBondContact O-N 3.08Å; F502-L539 HydrophobicContact CD1-CD1 3.71Å; F502-L539 HydrophobicContact CE1-CD1 4.13Å; F502-R542 HydrophobicContact CE1-CG 4.05Å; F502-R542 HydrophobicContact CZ-CG 4.34Å; F502-I543 HydrophobicContact CB-CD1 3.83Å; F502-I543 HydrophobicContact CB-CG1 3.54Å; F502-I543 HydrophobicContact CD1-CG1 4.26Å; F502-I543 HydrophobicContact CG-CG1 4.16Å; F502-I546 HydrophobicContact CD2-CD1 3.83Å; F502-I546 HydrophobicContact CE2-CD1 3.6Å; F502-I546 HydrophobicContact CG-CD1 4.49Å; F502-I546 HydrophobicContact CZ-CD1 4.07Å
503E92.4Very high93.1Very high93 Ų9380.8 Ų80.844%0.43539%0.387SS..Hα-helixtrans-64.7-41.5172.9-74.8179.5171.700111.5I499 K500 Q505 C506 Q507I499-E503 HydrophobicContact CG2-CG 4.16Å; I499-E503 WeakPolarHBondContact O-CG 3.39Å; I499-E503 PolarHBondContact O-N 3.44Å; K500-E503 PolarHBondContact O-N 2.92Å; E503-Q505 VanDerWaalsContact C-N 3.32Å; E503-Q505 PolarHBondContact O-N 3.01Å; E503-C506 WeakPolarHBondContact O-CB 3.23Å; E503-C506 PolarHBondContact O-N 3.36Å; E503-Q507 WeakPolarHBondContact O-CG 3.25Å; E503-Q507 PolarHBondContact O-N 3.38Å
504E94.4Very high92.8Very high91 Ų9181.5 Ų81.543%0.42539%0.388SS..Hα-helixtrans-62.5-38.3172.8-73174.5-170.200111.6K500 I501 Q507 T508K500-E504 WeakPolarHBondContact CE-OE1 3.2Å; K500-E504 WeakPolarHBondContact O-CG 3.34Å; K500-E504 PolarHBondContact O-N 3.03Å; I501-E504 PolarHBondContact O-N 3.03Å; E504-Q507 PolarHBondContact O-N 2.66Å; E504-T508 VanDerWaalsContact O-CB 3.29Å; E504-T508 WeakPolarHBondContact O-CB 3.44Å; E504-T508 PolarHBondContact O-N 2.67Å; E504-T508 PolarHBondContact O-OG1 3.39Å
505Q93.1Very high92.2Very high102 Ų10285.6 Ų85.648%0.47740%0.398SS..Hα-helixtrans-63.8-41.6171.6-74.4-164.2-0.500112.2I501 F502 E503 T508 Q509 L539I501-Q505 WeakPolarHBondContact O-CG 3.37Å; I501-Q505 PolarHBondContact O-N 2.84Å; F502-Q505 WeakPolarHBondContact O-CB 3.36Å; F502-Q505 PolarHBondContact O-N 3.25Å; E503-Q505 VanDerWaalsContact C-N 3.32Å; E503-Q505 PolarHBondContact O-N 3.01Å; Q505-T508 PolarHBondContact O-N 3.19Å; Q505-Q509 VanDerWaalsContact O-CB 3.3Å; Q505-Q509 WeakPolarHBondContact O-CB 3.43Å; Q505-Q509 PolarHBondContact O-N 3.06Å; Q505-L539 HydrophobicContact CB-CD2 4.28Å
506C91.3Very high91.6Very high12 Ų1289.1 Ų89.18%0.08141%0.41CS..Hα-helixtrans-59.9-47.7173.9-85.30000111.7F502 E503 T508 Q509 E510 L539 I543F502-C506 PolarHBondContact O-N 3.08Å; E503-C506 WeakPolarHBondContact O-CB 3.23Å; E503-C506 PolarHBondContact O-N 3.36Å; C506-T508 VanDerWaalsContact C-N 3.32Å; C506-T508 PolarHBondContact O-N 3.12Å; C506-Q509 PolarHBondContact O-N 3.47Å; C506-E510 WeakPolarHBondContact O-CB 3.5Å; C506-E510 WeakPolarHBondContact O-CG 3.44Å; C506-E510 PolarHBondContact O-N 3.07Å; C506-L539 HydrophobicContact CB-CD2 4.43Å; C506-L539 VanDerWaalsContact SG-CD2 3.5Å; C506-I543 WeakPolarHBondContact SG-CD1 3.38Å
507Q92.3Very high91.1Very high121 Ų12187.4 Ų87.457%0.56540%0.401SS*.Hα-helixtrans-62.5-40.4178.1-69.6173.124.600111.8E503 E504 E510 R511E503-Q507 WeakPolarHBondContact O-CG 3.25Å; E503-Q507 PolarHBondContact O-N 3.38Å; E504-Q507 PolarHBondContact O-N 2.66Å; Q507-E510 PolarHBondContact O-N 3.48Å; Q507-R511 WeakPolarHBondContact O-CB 3.38Å; Q507-R511 PolarHBondContact O-N 3.26Å
508T91.5Very high90.6Very high74 Ų7487.2 Ų87.245%0.45440%0.4SS..Hα-helixtrans-64.7-48.9177.2-60.10000110.7E504 Q505 C506 E510 R511 Y512E504-T508 VanDerWaalsContact O-CB 3.29Å; E504-T508 WeakPolarHBondContact O-CB 3.44Å; E504-T508 PolarHBondContact O-N 2.67Å; E504-T508 PolarHBondContact O-OG1 3.39Å; Q505-T508 PolarHBondContact O-N 3.19Å; C506-T508 VanDerWaalsContact C-N 3.32Å; C506-T508 PolarHBondContact O-N 3.12Å; T508-E510 VanDerWaalsContact C-N 3.34Å; T508-E510 PolarHBondContact O-N 3.33Å; T508-R511 PolarHBondContact O-N 2.98Å; T508-Y512 HydrophobicContact CG2-CD2 3.69Å; T508-Y512 HydrophobicContact CG2-CE2 3.64Å; T508-Y512 VanDerWaalsContact O-CD2 3.25Å; T508-Y512 WeakPolarHBondContact O-CD2 3.46Å; T508-Y512 PolarHBondContact O-N 2.81Å
509Q89.4Confident90.1Very high51 Ų5190.2 Ų90.224%0.23841%0.408CS..Hα-helixtrans-59.3-44.1176.3178.166.4-0.300111.1Q505 C506 S513 Y536Q505-Q509 VanDerWaalsContact O-CB 3.3Å; Q505-Q509 WeakPolarHBondContact O-CB 3.43Å; Q505-Q509 PolarHBondContact O-N 3.06Å; C506-Q509 PolarHBondContact O-N 3.47Å; Q509-S513 WeakPolarHBondContact O-CA 3.17Å; Q509-S513 WeakPolarHBondContact O-CB 3.42Å; Q509-S513 PolarHBondContact O-N 3.19Å; Q509-S513 PolarHBondContact O-OG 2.97Å; Q509-Y536 HydrophobicContact CG-CD2 4.11Å
510E88.4Confident89.8Confident91 Ų9191.5 Ų91.543%0.42541%0.413SS..Hα-helixtrans-60.5-46.9175.6-81.1177.6-164.900112.3C506 Q507 T508 S513 K514 Y536C506-E510 WeakPolarHBondContact O-CB 3.5Å; C506-E510 WeakPolarHBondContact O-CG 3.44Å; C506-E510 PolarHBondContact O-N 3.07Å; Q507-E510 PolarHBondContact O-N 3.48Å; T508-E510 VanDerWaalsContact C-N 3.34Å; T508-E510 PolarHBondContact O-N 3.33Å; E510-S513 PolarHBondContact O-OG 3.41Å; E510-K514 VanDerWaalsContact O-CB 3.31Å; E510-K514 WeakPolarHBondContact O-CB 3.47Å; E510-K514 PolarHBondContact O-N 2.93Å; E510-Y536 HydrophobicContact CG-CE2 3.75Å; E510-Y536 PolarHBondContact OE1-OH 3.01Å
511R89.4Confident89.3Confident196 Ų19693.5 Ų93.574%0.7442%0.422SS*.Hα-helixtrans-60.9-50.1-178.7-176.3-179.6-76.2174-2.9111.5Q507 T508Q507-R511 WeakPolarHBondContact O-CB 3.38Å; Q507-R511 PolarHBondContact O-N 3.26Å; T508-R511 PolarHBondContact O-N 2.98Å
512Y87.1Confident88.9Confident143 Ų14399.4 Ų99.456%0.56144%0.439SS*.Hα-helixtrans-72-46.6179.8-73.6-71.2000111.6T508 K514 E515 Y516T508-Y512 HydrophobicContact CG2-CD2 3.69Å; T508-Y512 HydrophobicContact CG2-CE2 3.64Å; T508-Y512 VanDerWaalsContact O-CD2 3.25Å; T508-Y512 WeakPolarHBondContact O-CD2 3.46Å; T508-Y512 PolarHBondContact O-N 2.81Å; Y512-K514 PolarHBondContact O-N 3.32Å; Y512-E515 PolarHBondContact O-N 3.03Å; Y512-Y516 VanDerWaalsContact O-CD2 3.27Å; Y512-Y516 WeakPolarHBondContact O-CD2 3.24Å; Y512-Y516 PolarHBondContact O-N 3.1Å
513S88.1Confident88.5Confident17 Ų17102.4 Ų102.412%0.11945%0.454CS..Hα-helixtrans-61.4-30.6-177.765.70000112.8Q509 E510 E515 Y516 I517Q509-S513 WeakPolarHBondContact O-CA 3.17Å; Q509-S513 WeakPolarHBondContact O-CB 3.42Å; Q509-S513 PolarHBondContact O-N 3.19Å; Q509-S513 PolarHBondContact O-OG 2.97Å; E510-S513 PolarHBondContact O-OG 3.41Å; S513-E515 PolarHBondContact O-N 3.38Å; S513-Y516 PolarHBondContact O-N 3.38Å; S513-I517 WeakPolarHBondContact O-CB 3.41Å; S513-I517 WeakPolarHBondContact O-CD1 3.22Å; S513-I517 WeakPolarHBondContact O-CG1 3.47Å; S513-I517 PolarHBondContact O-N 3.16Å
514K87.6Confident88.2Confident140 Ų140100.6 Ų100.661%0.60946%0.46SS*.Hα-helixtrans-57.5-47.8178.8-168.8176-177.5-178.60112.6E510 Y512 E518E510-K514 VanDerWaalsContact O-CB 3.31Å; E510-K514 WeakPolarHBondContact O-CB 3.47Å; E510-K514 PolarHBondContact O-N 2.93Å; Y512-K514 PolarHBondContact O-N 3.32Å; K514-E518 WeakPolarHBondContact O-CG 3.4Å; K514-E518 PolarHBondContact O-N 3.39Å; K514-E518 VanDerWaalsContact O-N 3.12Å
515E84.6Confident87.9Confident141 Ų14199.5 Ų99.566%0.65946%0.457SS*.Hα-helixtrans-68.5-41.3178.9-65.1-179.6178.100111.8Y512 S513 K519Y512-E515 PolarHBondContact O-N 3.03Å; S513-E515 PolarHBondContact O-N 3.38Å; E515-K519 PolarHBondContact O-N 3.33Å; E515-K519 VanDerWaalsContact O-N 3.15Å
516Y84.4Confident87.6Confident130 Ų13099.8 Ų99.851%0.5146%0.462SS..Hα-helixtrans-68.7-42177.7-79.5-80.5000112.7Y512 S513 E518 K519 F520Y512-Y516 VanDerWaalsContact O-CD2 3.27Å; Y512-Y516 WeakPolarHBondContact O-CD2 3.24Å; Y512-Y516 PolarHBondContact O-N 3.1Å; S513-Y516 PolarHBondContact O-N 3.38Å; Y516-E518 VanDerWaalsContact C-N 3.35Å; Y516-K519 PolarHBondContact O-N 3.46Å; Y516-F520 HydrophobicContact CD1-CE2 4.06Å; Y516-F520 HydrophobicContact CD1-CZ 4.46Å; Y516-F520 WeakPolarHBondContact O-CD2 3.47Å; Y516-F520 WeakPolarHBondContact O-CG 3.22Å; Y516-F520 PolarHBondContact O-N 3.01Å
517I86.1Confident87.6Confident33 Ų33107.2 Ų107.217%0.16949%0.493CS..Hα-helixtrans-63.9-41.6178.2-70.8165.3000110S513 K519 F520 K521 I529 I532S513-I517 WeakPolarHBondContact O-CB 3.41Å; S513-I517 WeakPolarHBondContact O-CD1 3.22Å; S513-I517 WeakPolarHBondContact O-CG1 3.47Å; S513-I517 PolarHBondContact O-N 3.16Å; I517-K519 VanDerWaalsContact C-N 3.32Å; I517-K519 PolarHBondContact O-N 2.81Å; I517-F520 PolarHBondContact O-N 2.87Å; I517-K521 HydrophobicContact CG2-CD 4.4Å; I517-K521 WeakPolarHBondContact O-CB 3.42Å; I517-K521 WeakPolarHBondContact O-CG 3.01Å; I517-K521 PolarHBondContact O-N 2.6Å; I517-I529 HydrophobicContact CG1-CG2 4.5Å; I517-I529 HydrophobicContact CG2-CD1 4.43Å; I517-I529 HydrophobicContact CG2-CG1 4.39Å; I517-I529 HydrophobicContact CG2-CG2 4.16Å; I517-I532 HydrophobicContact CD1-CG2 4.13Å; I517-I532 HydrophobicContact CG1-CG2 4.41Å
518E85.4Confident87.3Confident96 Ų96103.9 Ų103.945%0.44948%0.477SS..Hα-helixtrans-63-38.9174.7-78.7-174.2-167.700112.4K514 Y516 R522K514-E518 WeakPolarHBondContact O-CG 3.4Å; K514-E518 PolarHBondContact O-N 3.39Å; K514-E518 VanDerWaalsContact O-N 3.12Å; Y516-E518 VanDerWaalsContact C-N 3.35Å; E518-R522 WeakPolarHBondContact O-CG 3.25Å; E518-R522 PolarHBondContact O-N 3.02Å; E518-R522 IonicContact OE2-NH2 3.03Å
519K86Confident87.1Confident118 Ų118100.9 Ų100.951%0.51346%0.458SS..Hα-helixtrans-66.2-49.7175.6-171.3179.9176.1-175.20111.8E515 Y516 I517 K521 R522 E523E515-K519 PolarHBondContact O-N 3.33Å; E515-K519 VanDerWaalsContact O-N 3.15Å; Y516-K519 PolarHBondContact O-N 3.46Å; I517-K519 VanDerWaalsContact C-N 3.32Å; I517-K519 PolarHBondContact O-N 2.81Å; K519-K521 VanDerWaalsContact C-N 3.27Å; K519-K521 PolarHBondContact O-N 2.83Å; K519-R522 PolarHBondContact O-N 2.95Å; K519-R522 VanDerWaalsContact O-N 3.1Å; K519-E523 WeakPolarHBondContact CE-OE1 3.29Å; K519-E523 PolarHBondContact O-N 2.8Å; K519-E523 VanDerWaalsContact O-N 3.16Å
520F87.8Confident87.2Confident40 Ų40104.3 Ų104.318%0.17547%0.474CS..Hα-helixtrans-65.5-28.7178.7-69.4-52.7000113.2Y516 I517 E523 G524 N525 E528 I529 I532Y516-F520 HydrophobicContact CD1-CE2 4.06Å; Y516-F520 HydrophobicContact CD1-CZ 4.46Å; Y516-F520 WeakPolarHBondContact O-CD2 3.47Å; Y516-F520 WeakPolarHBondContact O-CG 3.22Å; Y516-F520 PolarHBondContact O-N 3.01Å; I517-F520 PolarHBondContact O-N 2.87Å; F520-E523 PolarHBondContact O-N 2.98Å; F520-G524 PolarHBondContact O-N 3.21Å; F520-G524 VanDerWaalsContact O-N 3.12Å; F520-N525 HydrophobicContact CD1-CB 4.27Å; F520-N525 PolarHBondContact O-N 3.01Å; F520-E528 HydrophobicContact CD2-CB 4.28Å; F520-E528 HydrophobicContact CD2-CG 4.16Å; F520-E528 HydrophobicContact CE1-CG 4.4Å; F520-E528 HydrophobicContact CE2-CB 4.42Å; F520-E528 HydrophobicContact CE2-CG 3.83Å; F520-E528 HydrophobicContact CG-CB 4.34Å; F520-E528 HydrophobicContact CZ-CG 3.96Å; F520-I529 HydrophobicContact CB-CD1 4.13Å; F520-I529 HydrophobicContact CB-CG1 3.87Å; F520-I532 HydrophobicContact CD2-CD1 4.47Å; F520-I532 HydrophobicContact CE2-CD1 4.37Å
521K86.8Confident87.2Confident140 Ų140108.1 Ų108.161%0.60949%0.485SS*.Hα-helixtrans-63.4-41.8170.7-87.2-177.1176.5176.40112.2I517 K519 E523 G524 I529I517-K521 HydrophobicContact CG2-CD 4.4Å; I517-K521 WeakPolarHBondContact O-CB 3.42Å; I517-K521 WeakPolarHBondContact O-CG 3.01Å; I517-K521 PolarHBondContact O-N 2.6Å; K519-K521 VanDerWaalsContact C-N 3.27Å; K519-K521 PolarHBondContact O-N 2.83Å; K521-E523 VanDerWaalsContact C-N 3.3Å; K521-G524 PolarHBondContact O-N 2.92Å; K521-I529 HydrophobicContact CB-CD1 4.4Å; K521-I529 HydrophobicContact CG-CD1 3.57Å
522R86.9Confident87.2Confident208 Ų208100.1 Ų100.179%0.78546%0.457SS*.Hα-helixtrans-69-30.8177.7-66.4178.5-154.7175.27.7112.2E518 K519 G524E518-R522 WeakPolarHBondContact O-CG 3.25Å; E518-R522 PolarHBondContact O-N 3.02Å; E518-R522 IonicContact OE2-NH2 3.03Å; K519-R522 PolarHBondContact O-N 2.95Å; K519-R522 VanDerWaalsContact O-N 3.1Å; R522-G524 VanDerWaalsContact C-N 3.34Å
523E86.3Confident87.3Confident114 Ų11497 Ų9753%0.53345%0.448SS..THydrogen-bonded Turntrans-83.4-6.6178.4-65.9172.4-172.900113.4K519 F520 K521 N525K519-E523 WeakPolarHBondContact CE-OE1 3.29Å; K519-E523 PolarHBondContact O-N 2.8Å; K519-E523 VanDerWaalsContact O-N 3.16Å; F520-E523 PolarHBondContact O-N 2.98Å; K521-E523 VanDerWaalsContact C-N 3.3Å; E523-N525 VanDerWaalsContact C-N 3.3Å; E523-N525 PolarHBondContact O-N 3.34Å
524G84.6Confident87.5Confident55 Ų5597.5 Ų97.557%0.56746%0.456SS*.THydrogen-bonded Turntrans70.420.1-17800000114.6F520 K521 R522 D526F520-G524 PolarHBondContact O-N 3.21Å; F520-G524 VanDerWaalsContact O-N 3.12Å; K521-G524 PolarHBondContact O-N 2.92Å; R522-G524 VanDerWaalsContact C-N 3.34Å; G524-D526 PolarHBondContact O-N 3.15Å
525N88.4Confident87.7Confident68 Ų6895.2 Ų95.236%0.36445%0.45SS..  trans-94.665-174.4-164.32.6000112.5F520 E523 K527 E528F520-N525 HydrophobicContact CD1-CB 4.27Å; F520-N525 PolarHBondContact O-N 3.01Å; E523-N525 VanDerWaalsContact C-N 3.3Å; E523-N525 PolarHBondContact O-N 3.34Å; N525-K527 PolarHBondContact O-N 2.8Å; N525-E528 PolarHBondContact O-N 3.03Å
526D87.3Confident88Confident107 Ų10790.7 Ų90.757%0.57243%0.427SS*.Hα-helixtrans-62.1-25.1-174-70.9-36.2000114.4G524 E528 I529 Q530G524-D526 PolarHBondContact O-N 3.15Å; D526-E528 VanDerWaalsContact C-N 3.28Å; D526-E528 PolarHBondContact O-N 2.83Å; D526-I529 PolarHBondContact O-N 3.29Å; D526-Q530 WeakPolarHBondContact O-CG 3.36Å; D526-Q530 PolarHBondContact O-N 3.12Å
527K90.3Very high88.4Confident168 Ų16890.4 Ų90.473%0.7343%0.431SS*.Hα-helixtrans-63.3-35.1179.1-69.6-177.9175.5176.10112.2N525 R531N525-K527 PolarHBondContact O-N 2.8Å; K527-R531 PolarHBondContact O-N 3.31Å
528E86.5Confident88.8Confident51 Ų5196.6 Ų96.624%0.23846%0.456CS..Hα-helixtrans-74.1-39.3179.1-155.160-155.900111.6F520 N525 D526 Q530 R531 I532F520-E528 HydrophobicContact CD2-CB 4.28Å; F520-E528 HydrophobicContact CD2-CG 4.16Å; F520-E528 HydrophobicContact CE1-CG 4.4Å; F520-E528 HydrophobicContact CE2-CB 4.42Å; F520-E528 HydrophobicContact CE2-CG 3.83Å; F520-E528 HydrophobicContact CG-CB 4.34Å; F520-E528 HydrophobicContact CZ-CG 3.96Å; N525-E528 PolarHBondContact O-N 3.03Å; D526-E528 VanDerWaalsContact C-N 3.28Å; D526-E528 PolarHBondContact O-N 2.83Å; E528-Q530 VanDerWaalsContact C-N 3.31Å; E528-Q530 PolarHBondContact O-N 3.17Å; E528-R531 PolarHBondContact O-N 3.32Å; E528-R531 VanDerWaalsContact O-N 3.16Å; E528-R531 IonicContact OE1-NE 3.41Å; E528-R531 IonicContact OE2-CZ 2.8Å; E528-R531 IonicContact OE2-NE 3.93Å; E528-R531 PolarHBondContact OE2-NE 3.34Å; E528-R531 IonicContact OE2-NH2 3.79Å; E528-R531 PolarHBondContact OE2-NH2 2.98Å; E528-I532 WeakPolarHBondContact O-CG1 3.43Å; E528-I532 PolarHBondContact O-N 2.7Å
529I88.3Confident89.2Confident12 Ų1293.1 Ų93.16%0.06244%0.441CS..Hα-helixtrans-59.3-45.5174.9-60.7171.8000110.1I517 F520 K521 D526 R531 I532 M533I517-I529 HydrophobicContact CG1-CG2 4.5Å; I517-I529 HydrophobicContact CG2-CD1 4.43Å; I517-I529 HydrophobicContact CG2-CG1 4.39Å; I517-I529 HydrophobicContact CG2-CG2 4.16Å; F520-I529 HydrophobicContact CB-CD1 4.13Å; F520-I529 HydrophobicContact CB-CG1 3.87Å; K521-I529 HydrophobicContact CB-CD1 4.4Å; K521-I529 HydrophobicContact CG-CD1 3.57Å; D526-I529 PolarHBondContact O-N 3.29Å; I529-R531 VanDerWaalsContact C-N 3.34Å; I529-R531 PolarHBondContact O-N 3.03Å; I529-I532 PolarHBondContact O-N 3.24Å; I529-M533 HydrophobicContact CG2-CG 4.41Å; I529-M533 HydrophobicContact CG2-SD 4.48Å; I529-M533 WeakPolarHBondContact O-CG 3.47Å; I529-M533 PolarHBondContact O-N 2.92Å
530Q90.8Very high89.5Confident123 Ų12392.6 Ų92.658%0.57544%0.438SS*.Hα-helixtrans-61.9-38.5176.6-70.2-66.8-22.500112.6D526 E528 G534D526-Q530 WeakPolarHBondContact O-CG 3.36Å; D526-Q530 PolarHBondContact O-N 3.12Å; E528-Q530 VanDerWaalsContact C-N 3.31Å; E528-Q530 PolarHBondContact O-N 3.17Å; Q530-G534 PolarHBondContact O-N 3.17Å
531R89.6Confident89.8Confident170 Ų17093.9 Ų93.964%0.64245%0.452SS*.Hα-helixtrans-63.4-44.4174.7-78.6-166-85.2-159.8-6.4112.2K527 E528 I529 N535K527-R531 PolarHBondContact O-N 3.31Å; E528-R531 PolarHBondContact O-N 3.32Å; E528-R531 VanDerWaalsContact O-N 3.16Å; E528-R531 IonicContact OE1-NE 3.41Å; E528-R531 IonicContact OE2-CZ 2.8Å; E528-R531 IonicContact OE2-NE 3.93Å; E528-R531 PolarHBondContact OE2-NE 3.34Å; E528-R531 IonicContact OE2-NH2 3.79Å; E528-R531 PolarHBondContact OE2-NH2 2.98Å; I529-R531 VanDerWaalsContact C-N 3.34Å; I529-R531 PolarHBondContact O-N 3.03Å; R531-N535 PolarHBondContact O-N 3.1Å; R531-N535 VanDerWaalsContact O-N 3.08Å
532I89.5Confident90.2Very high29 Ų2993.2 Ų93.215%0.14945%0.446CS..Hα-helixtrans-64.9-45.5179-67.9171.9000110.8I517 F520 E528 I529 N535 Y536I517-I532 HydrophobicContact CD1-CG2 4.13Å; I517-I532 HydrophobicContact CG1-CG2 4.41Å; F520-I532 HydrophobicContact CD2-CD1 4.47Å; F520-I532 HydrophobicContact CE2-CD1 4.37Å; E528-I532 WeakPolarHBondContact O-CG1 3.43Å; E528-I532 PolarHBondContact O-N 2.7Å; I529-I532 PolarHBondContact O-N 3.24Å; I532-N535 PolarHBondContact O-N 3.19Å; I532-Y536 PolarHBondContact O-N 3.05Å; I532-Y536 VanDerWaalsContact O-N 3.08Å
533M89.1Confident90.6Very high78 Ų7884.4 Ų84.438%0.38441%0.414SS..Hα-helixtrans-66.4-43.3177.8-67-160.7-19.500112.3I529 N535 Y536 E537I529-M533 HydrophobicContact CG2-CG 4.41Å; I529-M533 HydrophobicContact CG2-SD 4.48Å; I529-M533 WeakPolarHBondContact O-CG 3.47Å; I529-M533 PolarHBondContact O-N 2.92Å; M533-N535 PolarHBondContact O-N 3.24Å; M533-Y536 WeakPolarHBondContact O-CB 3.33Å; M533-Y536 PolarHBondContact O-N 3.03Å; M533-Y536 VanDerWaalsContact O-N 3.08Å; M533-E537 WeakPolarHBondContact O-CG 3.44Å; M533-E537 PolarHBondContact O-N 2.97Å
534G91.4Very high91Very high27 Ų2782.2 Ų82.228%0.27841%0.411SS..Hα-helixtrans-63.2-30.7177.400000113.1Q530 K538Q530-G534 PolarHBondContact O-N 3.17Å; G534-K538 WeakPolarHBondContact O-CG 3.46Å; G534-K538 PolarHBondContact O-N 2.76Å
535N92.3Very high91.6Very high91 Ų9184 Ų8449%0.48741%0.405SS..Hα-helixtrans-68.9-43.9170.9-179.2-97.7000111.9R531 I532 M533 E537 K538 L539R531-N535 PolarHBondContact O-N 3.1Å; R531-N535 VanDerWaalsContact O-N 3.08Å; I532-N535 PolarHBondContact O-N 3.19Å; M533-N535 PolarHBondContact O-N 3.24Å; N535-E537 VanDerWaalsContact C-N 3.34Å; N535-E537 PolarHBondContact O-N 3.24Å; N535-K538 PolarHBondContact O-N 3Å; N535-L539 PolarHBondContact O-N 3.18Å
536Y91Very high91.9Very high47 Ų4781.3 Ų81.318%0.18439%0.391CS..Hα-helixtrans-63.6-37.5177.4176.5-101.9000112.7Q509 E510 I532 M533 L539 K540Q509-Y536 HydrophobicContact CG-CD2 4.11Å; E510-Y536 HydrophobicContact CG-CE2 3.75Å; E510-Y536 PolarHBondContact OE1-OH 3.01Å; I532-Y536 PolarHBondContact O-N 3.05Å; I532-Y536 VanDerWaalsContact O-N 3.08Å; M533-Y536 WeakPolarHBondContact O-CB 3.33Å; M533-Y536 PolarHBondContact O-N 3.03Å; M533-Y536 VanDerWaalsContact O-N 3.08Å; Y536-L539 PolarHBondContact O-N 3.48Å; Y536-K540 HydrophobicContact CD1-CD 4.42Å; Y536-K540 HydrophobicContact CE1-CD 3.74Å; Y536-K540 HydrophobicContact CE1-CG 4.32Å; Y536-K540 PolarHBondContact O-N 3.18Å; Y536-K540 WeakPolarHBondContact OH-CE 3.32Å; Y536-K540 PolarHBondContact OH-NZ 2.91Å
537E93.1Very high92.4Very high124 Ų12479.1 Ų79.158%0.57938%0.381SS*.Hα-helixtrans-62.4-42.2172.7-75174.4-177.200112.2M533 N535 K540 S541M533-E537 WeakPolarHBondContact O-CG 3.44Å; M533-E537 PolarHBondContact O-N 2.97Å; N535-E537 VanDerWaalsContact C-N 3.34Å; N535-E537 PolarHBondContact O-N 3.24Å; E537-K540 PolarHBondContact O-N 2.92Å; E537-S541 WeakPolarHBondContact O-CB 3.32Å; E537-S541 PolarHBondContact O-N 3.17Å
538K93.9Very high92.7Very high162 Ų16273.5 Ų73.570%0.70436%0.359SS*.Hα-helixtrans-63.6-41174.6-72.4177.2-179.6-177.20112G534 N535 S541 R542G534-K538 WeakPolarHBondContact O-CG 3.46Å; G534-K538 PolarHBondContact O-N 2.76Å; N535-K538 PolarHBondContact O-N 3Å; K538-S541 PolarHBondContact O-N 2.81Å; K538-R542 WeakPolarHBondContact O-CB 3.4Å; K538-R542 PolarHBondContact O-N 2.92Å
539L93.1Very high93.2Very high24 Ų2473 Ų7313%0.12636%0.361CS..Hα-helixtrans-61.7-46176.1-174.264.3000110.9F502 Q505 C506 N535 Y536 R542 I543F502-L539 HydrophobicContact CD1-CD1 3.71Å; F502-L539 HydrophobicContact CE1-CD1 4.13Å; Q505-L539 HydrophobicContact CB-CD2 4.28Å; C506-L539 HydrophobicContact CB-CD2 4.43Å; C506-L539 VanDerWaalsContact SG-CD2 3.5Å; N535-L539 PolarHBondContact O-N 3.18Å; Y536-L539 PolarHBondContact O-N 3.48Å; L539-R542 PolarHBondContact O-N 3.33Å; L539-I543 WeakPolarHBondContact O-CG1 3.4Å; L539-I543 PolarHBondContact O-N 2.92Å
540K92.7Very high93.6Very high107 Ų10774.3 Ų74.347%0.46537%0.366SS..Hα-helixtrans-62.7-43.1174.8-82.6-164.7162.6172.50113.4Y536 E537 R542 I543 S544Y536-K540 HydrophobicContact CD1-CD 4.42Å; Y536-K540 HydrophobicContact CE1-CD 3.74Å; Y536-K540 HydrophobicContact CE1-CG 4.32Å; Y536-K540 PolarHBondContact O-N 3.18Å; Y536-K540 WeakPolarHBondContact OH-CE 3.32Å; Y536-K540 PolarHBondContact OH-NZ 2.91Å; E537-K540 PolarHBondContact O-N 2.92Å; K540-R542 VanDerWaalsContact C-N 3.27Å; K540-R542 PolarHBondContact O-N 2.92Å; K540-I543 PolarHBondContact O-N 3.35Å; K540-S544 PolarHBondContact O-N 3.37Å
541S95.1Very high93.9Very high67 Ų6774.2 Ų74.247%0.46936%0.36SS..Hα-helixtrans-57.5-44.2174.7-171.60000110.7E537 K538 I543 S544 E545E537-S541 WeakPolarHBondContact O-CB 3.32Å; E537-S541 PolarHBondContact O-N 3.17Å; K538-S541 PolarHBondContact O-N 2.81Å; S541-I543 PolarHBondContact O-N 3.34Å; S541-S544 WeakPolarHBondContact O-CB 3.33Å; S541-S544 PolarHBondContact O-N 2.83Å; S541-E545 PolarHBondContact O-N 3.42Å; S541-E545 VanDerWaalsContact O-N 3.09Å
542R94.8Very high94.3Very high126 Ų12672.8 Ų72.848%0.47536%0.355SS..Hα-helixtrans-64.2-40179.2-175.455.7178.1168.51.8112.7F502 K538 L539 K540 S544 E545 I546F502-R542 HydrophobicContact CE1-CG 4.05Å; F502-R542 HydrophobicContact CZ-CG 4.34Å; K538-R542 WeakPolarHBondContact O-CB 3.4Å; K538-R542 PolarHBondContact O-N 2.92Å; L539-R542 PolarHBondContact O-N 3.33Å; K540-R542 VanDerWaalsContact C-N 3.27Å; K540-R542 PolarHBondContact O-N 2.92Å; R542-S544 VanDerWaalsContact C-N 3.35Å; R542-E545 IonicContact CZ-OE2 3.62Å; R542-E545 IonicContact NH1-OE2 3.72Å; R542-E545 PolarHBondContact NH1-OE2 3.43Å; R542-E545 PolarHBondContact O-N 2.97Å; R542-I546 HydrophobicContact CG-CD1 4.23Å; R542-I546 WeakPolarHBondContact O-CG1 3.35Å; R542-I546 PolarHBondContact O-N 3.16Å
543I94.9Very high94.6Very high23 Ų2372.9 Ų72.912%0.11836%0.356CS..Hα-helixtrans-61-46.2174-69.3170000110.5F502 C506 L539 K540 S541 E545 I546 V547F502-I543 HydrophobicContact CB-CD1 3.83Å; F502-I543 HydrophobicContact CB-CG1 3.54Å; F502-I543 HydrophobicContact CD1-CG1 4.26Å; F502-I543 HydrophobicContact CG-CG1 4.16Å; C506-I543 WeakPolarHBondContact SG-CD1 3.38Å; L539-I543 WeakPolarHBondContact O-CG1 3.4Å; L539-I543 PolarHBondContact O-N 2.92Å; K540-I543 PolarHBondContact O-N 3.35Å; S541-I543 PolarHBondContact O-N 3.34Å; I543-E545 VanDerWaalsContact C-N 3.29Å; I543-E545 PolarHBondContact O-N 2.84Å; I543-I546 PolarHBondContact O-N 3.44Å; I543-I546 VanDerWaalsContact O-N 3.14Å; I543-V547 HydrophobicContact CG2-CG2 4.08Å; I543-V547 VanDerWaalsContact O-CG2 3.3Å; I543-V547 WeakPolarHBondContact O-CG2 3.33Å; I543-V547 PolarHBondContact O-N 3.36Å
544S95Very high95Very high67 Ų6773 Ų7347%0.46936%0.355SS..Hα-helixtrans-57.4-42.6179.2-163.70000112K540 S541 R542 I546 V547 D548K540-S544 PolarHBondContact O-N 3.37Å; S541-S544 WeakPolarHBondContact O-CB 3.33Å; S541-S544 PolarHBondContact O-N 2.83Å; R542-S544 VanDerWaalsContact C-N 3.35Å; S544-I546 PolarHBondContact O-N 2.88Å; S544-V547 PolarHBondContact O-N 2.92Å; S544-D548 WeakPolarHBondContact O-CB 3.45Å; S544-D548 PolarHBondContact O-N 3.35Å
545E96.5Very high95.3Very high92 Ų9276.9 Ų76.943%0.4337%0.366SS..Hα-helixtrans-61.9-42.1176.5-70.6168.5-161.500112.8S541 R542 I543 D548 S549S541-E545 PolarHBondContact O-N 3.42Å; S541-E545 VanDerWaalsContact O-N 3.09Å; R542-E545 IonicContact CZ-OE2 3.62Å; R542-E545 IonicContact NH1-OE2 3.72Å; R542-E545 PolarHBondContact NH1-OE2 3.43Å; R542-E545 PolarHBondContact O-N 2.97Å; I543-E545 VanDerWaalsContact C-N 3.29Å; I543-E545 PolarHBondContact O-N 2.84Å; E545-D548 PolarHBondContact O-N 3.44Å; E545-S549 WeakPolarHBondContact O-CB 3.34Å; E545-S549 PolarHBondContact O-N 3.25Å
546I95.7Very high95.5Very high13 Ų1376.6 Ų76.67%0.06737%0.365CS..Hα-helixtrans-67.7-43179.1-64.7168.8000110F495 T498 I499 F502 R542 I543 S544 D548 S549 K550F495-I546 HydrophobicContact CD1-CG2 3.92Å; F495-I546 HydrophobicContact CE1-CG2 4.43Å; T498-I546 HydrophobicContact CG2-CD1 4.29Å; T498-I546 HydrophobicContact CG2-CG2 4.48Å; I499-I546 HydrophobicContact CD1-CG2 4.3Å; I499-I546 HydrophobicContact CG1-CG2 3.7Å; F502-I546 HydrophobicContact CD2-CD1 3.83Å; F502-I546 HydrophobicContact CE2-CD1 3.6Å; F502-I546 HydrophobicContact CG-CD1 4.49Å; F502-I546 HydrophobicContact CZ-CD1 4.07Å; R542-I546 HydrophobicContact CG-CD1 4.23Å; R542-I546 WeakPolarHBondContact O-CG1 3.35Å; R542-I546 PolarHBondContact O-N 3.16Å; I543-I546 PolarHBondContact O-N 3.44Å; I543-I546 VanDerWaalsContact O-N 3.14Å; S544-I546 PolarHBondContact O-N 2.88Å; I546-D548 PolarHBondContact O-N 3.33Å; I546-S549 WeakPolarHBondContact O-CB 3.37Å; I546-S549 PolarHBondContact O-N 3.12Å; I546-K550 PolarHBondContact O-N 3.28Å
547V96.8Very high95.8Very high60 Ų6075.8 Ų75.836%0.36436%0.363SS..Hα-helixtrans-61.4-43.3176171.60000111I499 I543 S544 S549 K550 R551I499-V547 HydrophobicContact CD1-CG2 3.86Å; I499-V547 HydrophobicContact CG1-CG2 4.13Å; I499-V547 HydrophobicContact CG2-CG2 4.38Å; I543-V547 HydrophobicContact CG2-CG2 4.08Å; I543-V547 VanDerWaalsContact O-CG2 3.3Å; I543-V547 WeakPolarHBondContact O-CG2 3.33Å; I543-V547 PolarHBondContact O-N 3.36Å; S544-V547 PolarHBondContact O-N 2.92Å; V547-S549 VanDerWaalsContact C-N 3.35Å; V547-S549 PolarHBondContact O-N 3.44Å; V547-K550 WeakPolarHBondContact O-CB 3.48Å; V547-K550 PolarHBondContact O-N 3.16Å; V547-R551 PolarHBondContact O-N 2.9Å
548D96.9Very high95.9Very high51 Ų5177.7 Ų77.727%0.27337%0.37SS..Hα-helixtrans-64.6-38.4175.3-78.3-31.3000112.2S544 E545 I546 R551 R552S544-D548 WeakPolarHBondContact O-CB 3.45Å; S544-D548 PolarHBondContact O-N 3.35Å; E545-D548 PolarHBondContact O-N 3.44Å; I546-D548 PolarHBondContact O-N 3.33Å; D548-R551 PolarHBondContact O-N 2.95Å; D548-R551 IonicContact OD1-CZ 3.07Å; D548-R551 VanDerWaalsContact OD1-CZ 3.22Å; D548-R551 IonicContact OD1-NH1 2.92Å; D548-R551 PolarHBondContact OD1-NH1 2.84Å; D548-R551 IonicContact OD1-NH2 3.48Å; D548-R551 PolarHBondContact OD1-NH2 3.48Å; D548-R551 VanDerWaalsContact OD1-NH2 3.11Å; D548-R552 PolarHBondContact O-N 2.88Å; D548-R552 VanDerWaalsContact O-N 3.08Å
549S96.8Very high96Very high40 Ų4076.9 Ų76.928%0.2837%0.366SS..Hα-helixtrans-64.8-41.1175-164.60000112.2E545 I546 V547 R552 L553E545-S549 WeakPolarHBondContact O-CB 3.34Å; E545-S549 PolarHBondContact O-N 3.25Å; I546-S549 WeakPolarHBondContact O-CB 3.37Å; I546-S549 PolarHBondContact O-N 3.12Å; V547-S549 VanDerWaalsContact C-N 3.35Å; V547-S549 PolarHBondContact O-N 3.44Å; S549-R552 PolarHBondContact O-N 3.37Å; S549-L553 PolarHBondContact O-N 2.91Å
550K97.1Very high96.1Very high40 Ų4076.4 Ų76.417%0.17436%0.363CS..Hα-helixtrans-61.2-46.3172.8179.2-166.8153-171.40110.8F495 N496 I499 I546 V547 R552 L553 E554F495-K550 HydrophobicContact CB-CB 4.03Å; F495-K550 HydrophobicContact CB-CD 4.34Å; F495-K550 HydrophobicContact CB-CG 4Å; F495-K550 HydrophobicContact CG-CB 4.19Å; N496-K550 WeakPolarHBondContact OD1-CD 3.37Å; N496-K550 WeakPolarHBondContact OD1-CE 3.48Å; N496-K550 PolarHBondContact OD1-NZ 2.67Å; I499-K550 HydrophobicContact CD1-CB 4.37Å; I499-K550 HydrophobicContact CD1-CD 3.63Å; I546-K550 PolarHBondContact O-N 3.28Å; V547-K550 WeakPolarHBondContact O-CB 3.48Å; V547-K550 PolarHBondContact O-N 3.16Å; K550-R552 VanDerWaalsContact C-N 3.34Å; K550-R552 PolarHBondContact O-N 2.87Å; K550-L553 WeakPolarHBondContact O-CB 3.35Å; K550-L553 PolarHBondContact O-N 3.36Å; K550-L553 VanDerWaalsContact O-N 3.09Å; K550-E554 WeakPolarHBondContact CE-OE1 3.46Å; K550-E554 HydrophobicContact CG-CG 4.49Å; K550-E554 IonicContact NZ-OE1 2.61Å; K550-E554 PolarHBondContact NZ-OE1 2.92Å; K550-E554 WeakPolarHBondContact O-CG 3.48Å; K550-E554 PolarHBondContact O-N 3.42Å
551R97.4Very high96.3Very high120 Ų12072.8 Ų72.845%0.45335%0.353SS..Hα-helixtrans-57.6-44.9179.2-173.6-178.970.7-126.7-8.7111.9V547 D548 L553 E554 E555V547-R551 PolarHBondContact O-N 2.9Å; D548-R551 PolarHBondContact O-N 2.95Å; D548-R551 IonicContact OD1-CZ 3.07Å; D548-R551 VanDerWaalsContact OD1-CZ 3.22Å; D548-R551 IonicContact OD1-NH1 2.92Å; D548-R551 PolarHBondContact OD1-NH1 2.84Å; D548-R551 IonicContact OD1-NH2 3.48Å; D548-R551 PolarHBondContact OD1-NH2 3.48Å; D548-R551 VanDerWaalsContact OD1-NH2 3.11Å; R551-L553 VanDerWaalsContact C-N 3.31Å; R551-L553 PolarHBondContact O-N 2.9Å; R551-E554 WeakPolarHBondContact O-CB 3.46Å; R551-E554 PolarHBondContact O-N 2.89Å; R551-E555 IonicContact NE-OE1 3.35Å; R551-E555 WeakPolarHBondContact O-CG 3.34Å; R551-E555 PolarHBondContact O-N 3.08Å
552R97.3Very high96.3Very high140 Ų14072.1 Ų72.153%0.52835%0.352SS..Hα-helixtrans-59.2-42.2175.2-73-173.1-67.9-115.1-1.7112.2D548 S549 K550 E554 E555 D556D548-R552 PolarHBondContact O-N 2.88Å; D548-R552 VanDerWaalsContact O-N 3.08Å; S549-R552 PolarHBondContact O-N 3.37Å; K550-R552 VanDerWaalsContact C-N 3.34Å; K550-R552 PolarHBondContact O-N 2.87Å; R552-E554 VanDerWaalsContact C-N 3.35Å; R552-E555 PolarHBondContact O-N 3.38Å; R552-D556 PolarHBondContact O-N 2.95Å
553L97Very high96.3Very high31 Ų3170 Ų7016%0.16235%0.35CS..Hα-helixtrans-68.1-34.6178.3-169.963.2000112.5K488 A491 I492 F495 S549 K550 R551 D556 L557K488-L553 HydrophobicContact CB-CD1 4.45Å; K488-L553 HydrophobicContact CD-CD1 4.25Å; K488-L553 HydrophobicContact CG-CD1 3.99Å; A491-L553 HydrophobicContact CB-CD2 3.7Å; I492-L553 HydrophobicContact CD1-CG 4.37Å; I492-L553 HydrophobicContact CG1-CB 4.4Å; I492-L553 HydrophobicContact CG1-CD2 3.81Å; I492-L553 HydrophobicContact CG1-CG 3.98Å; F495-L553 HydrophobicContact CD2-CD2 3.91Å; F495-L553 HydrophobicContact CE2-CD2 3.73Å; S549-L553 PolarHBondContact O-N 2.91Å; K550-L553 WeakPolarHBondContact O-CB 3.35Å; K550-L553 PolarHBondContact O-N 3.36Å; K550-L553 VanDerWaalsContact O-N 3.09Å; R551-L553 VanDerWaalsContact C-N 3.31Å; R551-L553 PolarHBondContact O-N 2.9Å; L553-D556 PolarHBondContact O-N 3Å; L553-L557 WeakPolarHBondContact O-CB 3.48Å; L553-L557 PolarHBondContact O-N 2.94Å
554E96.6Very high96.3Very high80 Ų8071.9 Ų71.937%0.37436%0.356SS..Hα-helixtrans-65.5-39.7172.6-72.8176.8155.400112.2I492 K550 R551 R552 L557 K558I492-E554 HydrophobicContact CD1-CG 3.83Å; I492-E554 HydrophobicContact CG1-CG 4.18Å; I492-E554 HydrophobicContact CG2-CG 4.3Å; K550-E554 WeakPolarHBondContact CE-OE1 3.46Å; K550-E554 HydrophobicContact CG-CG 4.49Å; K550-E554 IonicContact NZ-OE1 2.61Å; K550-E554 PolarHBondContact NZ-OE1 2.92Å; K550-E554 WeakPolarHBondContact O-CG 3.48Å; K550-E554 PolarHBondContact O-N 3.42Å; R551-E554 WeakPolarHBondContact O-CB 3.46Å; R551-E554 PolarHBondContact O-N 2.89Å; R552-E554 VanDerWaalsContact C-N 3.35Å; E554-L557 PolarHBondContact O-N 3.49Å; E554-K558 WeakPolarHBondContact O-CB 3.3Å; E554-K558 PolarHBondContact O-N 2.62Å
555E97.4Very high96.3Very high109 Ų10977.5 Ų77.551%0.50937%0.367SS..Hα-helixtrans-62.9-44.7173.5-71.9168.7-169.900111.4R551 R552 L557 K558 K559R551-E555 IonicContact NE-OE1 3.35Å; R551-E555 WeakPolarHBondContact O-CG 3.34Å; R551-E555 PolarHBondContact O-N 3.08Å; R552-E555 PolarHBondContact O-N 3.38Å; E555-L557 PolarHBondContact O-N 3.36Å; E555-K558 WeakPolarHBondContact O-CB 3.33Å; E555-K558 PolarHBondContact O-N 2.93Å; E555-K559 PolarHBondContact O-N 2.91Å
556D96.5Very high96.3Very high85 Ų8576.6 Ų76.646%0.45536%0.363SS..Hα-helixtrans-63.7-40175.6-77.6-16.2000112.4R552 L553 K558 K559 Q560R552-D556 PolarHBondContact O-N 2.95Å; L553-D556 PolarHBondContact O-N 3Å; D556-K558 VanDerWaalsContact C-N 3.32Å; D556-K559 PolarHBondContact O-N 2.89Å; D556-Q560 WeakPolarHBondContact O-CB 3.49Å; D556-Q560 PolarHBondContact O-N 3.38Å
557L96.8Very high96.3Very high30 Ų3076.7 Ų76.716%0.15736%0.363CS..Hα-helixtrans-62-41.7174.1176.364.3000110.8I485 K488 R489 I492 L553 E554 E555 Q560 A561I485-L557 HydrophobicContact CB-CD1 4.25Å; I485-L557 HydrophobicContact CG1-CD1 4.25Å; I485-L557 HydrophobicContact CG2-CD1 3.89Å; K488-L557 HydrophobicContact CB-CD1 4.08Å; R489-L557 HydrophobicContact CG-CD1 4.21Å; R489-L557 HydrophobicContact CG-CD2 3.91Å; I492-L557 HydrophobicContact CD1-CB 4.19Å; I492-L557 HydrophobicContact CD1-CD2 3.52Å; I492-L557 HydrophobicContact CD1-CG 4.46Å; L553-L557 WeakPolarHBondContact O-CB 3.48Å; L553-L557 PolarHBondContact O-N 2.94Å; E554-L557 PolarHBondContact O-N 3.49Å; E555-L557 PolarHBondContact O-N 3.36Å; L557-Q560 PolarHBondContact O-N 3.33Å; L557-A561 VanDerWaalsContact O-CB 3.28Å; L557-A561 WeakPolarHBondContact O-CB 3.48Å; L557-A561 PolarHBondContact O-N 3.16Å
558K96.3Very high96.2Very high165 Ų16576.7 Ų76.772%0.71736%0.361SS*.Hα-helixtrans-65.3-42.3178.5-173.6178.9-179-179.80111.8E554 E555 D556 A561 A562E554-K558 WeakPolarHBondContact O-CB 3.3Å; E554-K558 PolarHBondContact O-N 2.62Å; E555-K558 WeakPolarHBondContact O-CB 3.33Å; E555-K558 PolarHBondContact O-N 2.93Å; D556-K558 VanDerWaalsContact C-N 3.32Å; K558-A561 PolarHBondContact O-N 3.39Å; K558-A562 PolarHBondContact O-N 2.89Å; K558-A562 VanDerWaalsContact O-N 3.16Å
559K95.9Very high96.1Very high144 Ų14481 Ų8163%0.62638%0.378SS*.Hα-helixtrans-61.4-49.1174.7-175.7179176.5-175.30110.7E555 D556 A561 A562 D563E555-K559 PolarHBondContact O-N 2.91Å; D556-K559 PolarHBondContact O-N 2.89Å; K559-A561 VanDerWaalsContact C-N 3.32Å; K559-A561 PolarHBondContact O-N 3.01Å; K559-A562 WeakPolarHBondContact O-CA 3.34Å; K559-A562 WeakPolarHBondContact O-CB 3.39Å; K559-A562 PolarHBondContact O-N 3.27Å; K559-D563 PolarHBondContact O-N 2.83Å
560Q95.7Very high96Very high14 Ų1485 Ų857%0.06539%0.387CS..Hα-helixtrans-65.1-34.8-179.6-16716422.700113.2T481 E484 I485 K488 D556 L557 A562 D563 Y564T481-Q560 HydrophobicContact CG2-CG 3.55Å; E484-Q560 PolarHBondContact OE2-NE2 3.14Å; I485-Q560 HydrophobicContact CD1-CG 4.24Å; I485-Q560 HydrophobicContact CG1-CB 4.25Å; I485-Q560 HydrophobicContact CG1-CG 3.78Å; K488-Q560 VanDerWaalsContact CE-OE1 3.27Å; D556-Q560 WeakPolarHBondContact O-CB 3.49Å; D556-Q560 PolarHBondContact O-N 3.38Å; L557-Q560 PolarHBondContact O-N 3.33Å; Q560-A562 VanDerWaalsContact C-N 3.27Å; Q560-A562 PolarHBondContact O-N 3.38Å; Q560-D563 PolarHBondContact O-N 3.46Å; Q560-Y564 WeakPolarHBondContact O-CB 3.49Å; Q560-Y564 PolarHBondContact O-N 3.45Å
561A95.1Very high95.9Very high31 Ų3183.5 Ų83.526%0.25638%0.38SS..Hα-helixtrans-66-29.1172.800000112.8L557 K558 K559 R565L557-A561 VanDerWaalsContact O-CB 3.28Å; L557-A561 WeakPolarHBondContact O-CB 3.48Å; L557-A561 PolarHBondContact O-N 3.16Å; K558-A561 PolarHBondContact O-N 3.39Å; K559-A561 VanDerWaalsContact C-N 3.32Å; K559-A561 PolarHBondContact O-N 3.01Å; A561-R565 WeakPolarHBondContact O-CG 3.38Å; A561-R565 PolarHBondContact O-N 3.1Å
562A96Very high95.7Very high54 Ų5481 Ų8145%0.44638%0.376SS..Hα-helixtrans-72-45.4172.300000111K558 K559 Q560 Y564 R565 E566K558-A562 PolarHBondContact O-N 2.89Å; K558-A562 VanDerWaalsContact O-N 3.16Å; K559-A562 WeakPolarHBondContact O-CA 3.34Å; K559-A562 WeakPolarHBondContact O-CB 3.39Å; K559-A562 PolarHBondContact O-N 3.27Å; Q560-A562 VanDerWaalsContact C-N 3.27Å; Q560-A562 PolarHBondContact O-N 3.38Å; A562-Y564 VanDerWaalsContact C-N 3.31Å; A562-Y564 PolarHBondContact O-N 3.1Å; A562-R565 PolarHBondContact O-N 3.46Å; A562-R565 VanDerWaalsContact O-N 3.16Å; A562-E566 PolarHBondContact O-N 3.47Å
563D94.5Very high95.5Very high81 Ų8177.7 Ų77.743%0.43337%0.374SS..Hα-helixtrans-59.4-42.7176.2-63.1-25.7000111.1K559 Q560 R565 E566 I567K559-D563 PolarHBondContact O-N 2.83Å; Q560-D563 PolarHBondContact O-N 3.46Å; D563-R565 VanDerWaalsContact C-N 3.35Å; D563-R565 PolarHBondContact O-N 2.84Å; D563-E566 PolarHBondContact O-N 2.98Å; D563-E566 VanDerWaalsContact O-N 3.14Å; D563-I567 WeakPolarHBondContact O-CG1 3.47Å; D563-I567 PolarHBondContact O-N 2.84Å
564Y95.1Very high95.3Very high62 Ų6276.5 Ų76.524%0.24337%0.368CS..Hα-helixtrans-56.8-43.5174.4175.8-94.2000113.2Y478 T481 I485 Q560 A562 E566 I567 D568Y478-Y564 HydrophobicContact CD2-CD2 4.06Å; Y478-Y564 AromaticContact CD2-CE2 3.59Å; Y478-Y564 HydrophobicContact CD2-CE2 3.59Å; Y478-Y564 HydrophobicContact CE1-CE2 4.35Å; Y478-Y564 HydrophobicContact CE2-CD2 4.09Å; Y478-Y564 HydrophobicContact CE2-CE1 4.22Å; Y478-Y564 AromaticContact CE2-CE2 3.24Å; Y478-Y564 HydrophobicContact CE2-CE2 3.24Å; Y478-Y564 AromaticContact CE2-CZ 3.33Å; Y478-Y564 WeakPolarHBondContact CE2-OH 3.42Å; Y478-Y564 HydrophobicContact CG-CE2 4.3Å; Y478-Y564 AromaticContact CZ-CE2 3.68Å; Y478-Y564 AromaticContact CZ-CZ 3.68Å; Y478-Y564 PolarHBondContact OH-OH 3.33Å; T481-Y564 HydrophobicContact CG2-CD2 4.35Å; I485-Y564 HydrophobicContact CD1-CD2 4.27Å; I485-Y564 HydrophobicContact CD1-CG 4.02Å; Q560-Y564 WeakPolarHBondContact O-CB 3.49Å; Q560-Y564 PolarHBondContact O-N 3.45Å; A562-Y564 VanDerWaalsContact C-N 3.31Å; A562-Y564 PolarHBondContact O-N 3.1Å; Y564-E566 VanDerWaalsContact C-N 3.34Å; Y564-I567 PolarHBondContact O-N 3.14Å; Y564-D568 PolarHBondContact O-N 2.99Å; Y564-D568 VanDerWaalsContact O-N 3.08Å
565R95.4Very high95Very high186 Ų18676.5 Ų76.570%0.70237%0.367SS*.Hα-helixtrans-68-35.3177-71.7175.1-175.3174.51.7112.2A561 A562 D563 K569A561-R565 WeakPolarHBondContact O-CG 3.38Å; A561-R565 PolarHBondContact O-N 3.1Å; A562-R565 PolarHBondContact O-N 3.46Å; A562-R565 VanDerWaalsContact O-N 3.16Å; D563-R565 VanDerWaalsContact C-N 3.35Å; D563-R565 PolarHBondContact O-N 2.84Å; R565-K569 WeakPolarHBondContact O-CB 3.47Å; R565-K569 PolarHBondContact O-N 3.32Å
566E96.4Very high94.6Very high73 Ų7374.6 Ų74.634%0.34136%0.364SS..Hα-helixtrans-68.4-41177-179.358.9-157.200111.2A562 D563 Y564 K569 R570A562-E566 PolarHBondContact O-N 3.47Å; D563-E566 PolarHBondContact O-N 2.98Å; D563-E566 VanDerWaalsContact O-N 3.14Å; Y564-E566 VanDerWaalsContact C-N 3.34Å; E566-K569 PolarHBondContact O-N 2.96Å; E566-R570 WeakPolarHBondContact O-CG 3.48Å; E566-R570 PolarHBondContact O-N 3.18Å; E566-R570 IonicContact OE1-CZ 2.69Å; E566-R570 IonicContact OE1-NE 3.85Å; E566-R570 PolarHBondContact OE1-NE 3.07Å; E566-R570 VanDerWaalsContact OE1-NE 3.07Å; E566-R570 IonicContact OE1-NH2 2.72Å; E566-R570 PolarHBondContact OE1-NH2 3.45Å
567I95.5Very high94.3Very high14 Ų1474 Ų747%0.07236%0.361CS..Hα-helixtrans-59.9-48.6173.3-65.6163.8000110.4L474 E477 Y478 D563 Y564 K569 R570 M571L474-I567 HydrophobicContact CB-CG2 4.41Å; L474-I567 HydrophobicContact CD2-CG2 4.38Å; L474-I567 WeakPolarHBondContact O-CG2 3.46Å; E477-I567 HydrophobicContact CB-CD1 4.1Å; Y478-I567 HydrophobicContact CD2-CG2 4.4Å; D563-I567 WeakPolarHBondContact O-CG1 3.47Å; D563-I567 PolarHBondContact O-N 2.84Å; Y564-I567 PolarHBondContact O-N 3.14Å; I567-K569 VanDerWaalsContact C-N 3.32Å; I567-K569 PolarHBondContact O-N 3.32Å; I567-R570 PolarHBondContact O-N 3.4Å; I567-M571 HydrophobicContact CG2-CG 4.39Å; I567-M571 HydrophobicContact CG2-SD 3.96Å; I567-M571 WeakPolarHBondContact O-CG 3.47Å; I567-M571 PolarHBondContact O-N 3.35Å
568D94.1Very high94Very high60 Ų6073.8 Ų73.832%0.32136%0.36SS..Hα-helixtrans-59.9-41.6177.9-179.456.2000112.1Y478 Y564 R570 M571 N572Y478-D568 HydrophobicContact CE2-CB 4.4Å; Y564-D568 PolarHBondContact O-N 2.99Å; Y564-D568 VanDerWaalsContact O-N 3.08Å; D568-R570 PolarHBondContact O-N 2.86Å; D568-M571 PolarHBondContact O-N 2.85Å; D568-N572 VanDerWaalsContact CG-ND2 3.3Å; D568-N572 WeakPolarHBondContact O-CB 3.24Å; D568-N572 VanDerWaalsContact O-CG 3.24Å; D568-N572 PolarHBondContact O-N 2.95Å; D568-N572 PolarHBondContact O-ND2 3.44Å; D568-N572 PolarHBondContact OD1-ND2 2.96Å; D568-N572 PolarHBondContact OD2-ND2 3.31Å
569K95.4Very high93.5Very high142 Ų14270.6 Ų70.662%0.61735%0.349SS*.Hα-helixtrans-60.3-45.1174.7-174.6-175.9176.5-170.20112.1R565 E566 I567 N572 S573R565-K569 WeakPolarHBondContact O-CB 3.47Å; R565-K569 PolarHBondContact O-N 3.32Å; E566-K569 PolarHBondContact O-N 2.96Å; I567-K569 VanDerWaalsContact C-N 3.32Å; I567-K569 PolarHBondContact O-N 3.32Å; K569-N572 PolarHBondContact O-N 3.08Å; K569-S573 PolarHBondContact O-N 3.34Å
570R94.7Very high93.1Very high125 Ų12569.9 Ų69.947%0.47235%0.348SS..Hα-helixtrans-63.7-46.3177-70.9179.3-168.7178.92.8111.5L474 E566 I567 D568 N572 S573 I574L474-R570 HydrophobicContact CD1-CB 3.99Å; L474-R570 HydrophobicContact CD2-CB 4.46Å; E566-R570 WeakPolarHBondContact O-CG 3.48Å; E566-R570 PolarHBondContact O-N 3.18Å; E566-R570 IonicContact OE1-CZ 2.69Å; E566-R570 IonicContact OE1-NE 3.85Å; E566-R570 PolarHBondContact OE1-NE 3.07Å; E566-R570 VanDerWaalsContact OE1-NE 3.07Å; E566-R570 IonicContact OE1-NH2 2.72Å; E566-R570 PolarHBondContact OE1-NH2 3.45Å; I567-R570 PolarHBondContact O-N 3.4Å; D568-R570 PolarHBondContact O-N 2.86Å; R570-N572 VanDerWaalsContact C-N 3.32Å; R570-N572 PolarHBondContact O-N 2.98Å; R570-S573 PolarHBondContact O-N 2.89Å; R570-S573 VanDerWaalsContact O-N 3.12Å; R570-S573 PolarHBondContact O-OG 2.76Å; R570-I574 WeakPolarHBondContact O-CG1 3.46Å; R570-I574 PolarHBondContact O-N 3.03Å
571M94.7Very high92.9Very high7 Ų770.4 Ų70.43%0.03435%0.351CS..Hα-helixtrans-56.9-46.5175.2-73.5174.258.900111.7Y471 L474 Y475 Y478 I567 D568 S573 I574 K575Y471-M571 HydrophobicContact CE2-CB 4.09Å; Y471-M571 HydrophobicContact CE2-CE 3.98Å; Y471-M571 HydrophobicContact CE2-CG 4.29Å; L474-M571 HydrophobicContact CB-CG 3.63Å; L474-M571 HydrophobicContact CB-SD 4.3Å; L474-M571 HydrophobicContact CD1-CG 4.18Å; Y475-M571 HydrophobicContact CD2-CE 3.79Å; Y478-M571 HydrophobicContact CD2-SD 4.21Å; Y478-M571 HydrophobicContact CG-SD 4.15Å; I567-M571 HydrophobicContact CG2-CG 4.39Å; I567-M571 HydrophobicContact CG2-SD 3.96Å; I567-M571 WeakPolarHBondContact O-CG 3.47Å; I567-M571 PolarHBondContact O-N 3.35Å; D568-M571 PolarHBondContact O-N 2.85Å; M571-S573 VanDerWaalsContact C-N 3.26Å; M571-S573 PolarHBondContact O-N 3.02Å; M571-I574 PolarHBondContact O-N 3.36Å; M571-K575 WeakPolarHBondContact O-CG 3.49Å; M571-K575 PolarHBondContact O-N 3.36Å
572N92.9Very high92.5Very high69 Ų6975 Ų7537%0.36936%0.362SS..Hα-helixtrans-68.6-23.9179.8-68.6-35.1000113.1D568 K569 R570 K575 P576D568-N572 VanDerWaalsContact CG-ND2 3.3Å; D568-N572 WeakPolarHBondContact O-CB 3.24Å; D568-N572 VanDerWaalsContact O-CG 3.24Å; D568-N572 PolarHBondContact O-N 2.95Å; D568-N572 PolarHBondContact O-ND2 3.44Å; D568-N572 PolarHBondContact OD1-ND2 2.96Å; D568-N572 PolarHBondContact OD2-ND2 3.31Å; K569-N572 PolarHBondContact O-N 3.08Å; R570-N572 VanDerWaalsContact C-N 3.32Å; R570-N572 PolarHBondContact O-N 2.98Å; N572-K575 PolarHBondContact OD1-NZ 3.24Å; N572-P576 WeakPolarHBondContact O-CD 3.33Å
573S94.1Very high92Very high70 Ų7078.4 Ų78.449%0.4937%0.367SS..Hα-helixtrans-75.7-33.5170.671.70000113.6K569 R570 M571 P576K569-S573 PolarHBondContact O-N 3.34Å; R570-S573 PolarHBondContact O-N 2.89Å; R570-S573 VanDerWaalsContact O-N 3.12Å; R570-S573 PolarHBondContact O-OG 2.76Å; M571-S573 VanDerWaalsContact C-N 3.26Å; M571-S573 PolarHBondContact O-N 3.02Å; S573-P576 WeakPolarHBondContact O-CD 3.36Å; S573-P576 WeakPolarHBondContact O-CG 3.22Å
574I92.6Very high91.5Very high6 Ų675.7 Ų75.73%0.03135%0.353CS..Hα-helixtrans-81.6-32.1-178.8-67.5164.1000112.2K467 E470 Y471 L474 R570 M571 D577 L578K467-I574 HydrophobicContact CD-CG2 4.23Å; E470-I574 HydrophobicContact CG-CD1 3.89Å; Y471-I574 HydrophobicContact CD2-CG2 4.48Å; L474-I574 HydrophobicContact CD1-CD1 3.51Å; R570-I574 WeakPolarHBondContact O-CG1 3.46Å; R570-I574 PolarHBondContact O-N 3.03Å; M571-I574 PolarHBondContact O-N 3.36Å; I574-D577 WeakPolarHBondContact O-CB 3.2Å; I574-D577 PolarHBondContact O-N 3.28Å; I574-D577 VanDerWaalsContact O-N 3.16Å; I574-L578 PolarHBondContact O-N 2.95Å
575K88.9Confident91.1Very high79 Ų7974.6 Ų74.634%0.34335%0.348SS..Hα-helixtrans-47.4-52.8178.1-80.6174.8-171.9168.60114.3Y471 M571 N572 L578 I579Y471-K575 HydrophobicContact CE2-CD 4.46Å; Y471-K575 HydrophobicContact CE2-CG 3.77Å; Y471-K575 VanDerWaalsContact OH-CE 3.31Å; Y471-K575 WeakPolarHBondContact OH-CE 3.36Å; M571-K575 WeakPolarHBondContact O-CG 3.49Å; M571-K575 PolarHBondContact O-N 3.36Å; N572-K575 PolarHBondContact OD1-NZ 3.24Å; K575-L578 PolarHBondContact O-N 3.44Å; K575-I579 WeakPolarHBondContact O-CG1 3.38Å; K575-I579 PolarHBondContact O-N 2.94Å; K575-I579 VanDerWaalsContact O-N 3.12Å
576P90.8Very high90.5Very high69 Ų6968 Ų6845%0.44833%0.327SS..Hα-helixtrans-63.5-40.9179.424.6-34.5000112.4N572 S573 L578 I579 Q580N572-P576 WeakPolarHBondContact O-CD 3.33Å; S573-P576 WeakPolarHBondContact O-CD 3.36Å; S573-P576 WeakPolarHBondContact O-CG 3.22Å; P576-L578 VanDerWaalsContact C-N 3.33Å; P576-L578 PolarHBondContact O-N 2.97Å; P576-I579 PolarHBondContact O-N 3.13Å; P576-Q580 PolarHBondContact O-N 2.85Å
577D90.1Very high89.9Confident74 Ų7467.6 Ų67.640%0.39633%0.326SS..Hα-helixtrans-60.8-43.1177.4-66.8-10.8000111.1I574 I579 Q580 L581I574-D577 WeakPolarHBondContact O-CB 3.2Å; I574-D577 PolarHBondContact O-N 3.28Å; I574-D577 VanDerWaalsContact O-N 3.16Å; D577-I579 PolarHBondContact O-N 3.22Å; D577-Q580 PolarHBondContact O-N 2.97Å; D577-L581 WeakPolarHBondContact O-CB 3.43Å; D577-L581 WeakPolarHBondContact O-CG 3.16Å; D577-L581 PolarHBondContact O-N 2.81Å
578L90.1Very high89.4Confident25 Ų2567.9 Ų67.913%0.13133%0.326CS..Hα-helixtrans-62.5-42.1177.8-168.970.8000111.7Y464 K467 N468 I574 K575 P576 R582Y464-L578 HydrophobicContact CD2-CD1 3.66Å; Y464-L578 HydrophobicContact CD2-CG 4.35Å; Y464-L578 HydrophobicContact CE2-CD1 3.5Å; Y464-L578 HydrophobicContact CE2-CG 3.9Å; K467-L578 HydrophobicContact CB-CD1 4.18Å; N468-L578 HydrophobicContact CB-CD1 3.99Å; I574-L578 PolarHBondContact O-N 2.95Å; K575-L578 PolarHBondContact O-N 3.44Å; P576-L578 VanDerWaalsContact C-N 3.33Å; P576-L578 PolarHBondContact O-N 2.97Å; L578-R582 WeakPolarHBondContact O-CB 3.48Å; L578-R582 PolarHBondContact O-N 3.42Å
579I86.4Confident88.9Confident97 Ų9767.3 Ų67.350%0.49732%0.322SS..Hα-helixtrans-64.7-43.9176.1-66.3165.7000110.5K575 P576 D577 R582 K583K575-I579 WeakPolarHBondContact O-CG1 3.38Å; K575-I579 PolarHBondContact O-N 2.94Å; K575-I579 VanDerWaalsContact O-N 3.12Å; P576-I579 PolarHBondContact O-N 3.13Å; D577-I579 PolarHBondContact O-N 3.22Å; I579-R582 PolarHBondContact O-N 2.8Å; I579-K583 HydrophobicContact CG2-CD 4.22Å; I579-K583 WeakPolarHBondContact O-CB 3.14Å; I579-K583 WeakPolarHBondContact O-CG 2.93Å; I579-K583 PolarHBondContact O-N 3.26Å
580Q87.7Confident88.2Confident130 Ų13063.1 Ų63.161%0.60731%0.306SS*.Hα-helixtrans-65.9-44.2179.3-176.9177.4-26.800111.9P576 D577 K583 T584P576-Q580 PolarHBondContact O-N 2.85Å; D577-Q580 PolarHBondContact O-N 2.97Å; Q580-K583 PolarHBondContact O-N 3.03Å; Q580-T584 WeakPolarHBondContact O-CB 3.43Å; Q580-T584 PolarHBondContact O-N 2.88Å; Q580-T584 PolarHBondContact O-OG1 3.4Å
581L89.6Confident87.6Confident24 Ų2457.2 Ų57.213%0.12628%0.283CS..Hα-helixtrans-61.7-43.7175.7-77169.3000111.2Y460 Q463 Y464 K467 D577 T584 R585Y460-L581 HydrophobicContact CD1-CD2 4.09Å; Q463-L581 HydrophobicContact CB-CD1 4.33Å; Q463-L581 HydrophobicContact CB-CD2 4.1Å; Y464-L581 HydrophobicContact CD2-CB 4.24Å; K467-L581 HydrophobicContact CB-CD1 4.28Å; K467-L581 HydrophobicContact CG-CD1 3.97Å; D577-L581 WeakPolarHBondContact O-CB 3.43Å; D577-L581 WeakPolarHBondContact O-CG 3.16Å; D577-L581 PolarHBondContact O-N 2.81Å; L581-T584 PolarHBondContact O-N 3.41Å; L581-R585 VanDerWaalsContact O-CB 3.28Å; L581-R585 WeakPolarHBondContact O-CB 3.13Å; L581-R585 PolarHBondContact O-N 3.23Å
582R87.1Confident87.1Confident129 Ų12956.9 Ų56.949%0.48728%0.282SS..Hα-helixtrans-59-51.3174-179.8178.2172.6-169.30.1111.5Y464 L578 I579 T584 R585 D586Y464-R582 HydrophobicContact CD2-CB 4.15Å; Y464-R582 HydrophobicContact CE2-CB 3.85Å; L578-R582 WeakPolarHBondContact O-CB 3.48Å; L578-R582 PolarHBondContact O-N 3.42Å; I579-R582 PolarHBondContact O-N 2.8Å; R582-T584 VanDerWaalsContact C-N 3.3Å; R582-T584 PolarHBondContact O-N 3.11Å; R582-R585 PolarHBondContact O-N 3.03Å; R582-D586 WeakPolarHBondContact CG-OD2 3.45Å; R582-D586 IonicContact NE-OD2 3.83Å; R582-D586 WeakPolarHBondContact O-CB 3.5Å; R582-D586 PolarHBondContact O-N 3.39Å
583K85.3Confident86.4Confident125 Ų12557.2 Ų57.254%0.54329%0.286SS..Hα-helixtrans-58-42.9178.6-77.3-178.3178.9-174.80111.9I579 Q580 Q587I579-K583 HydrophobicContact CG2-CD 4.22Å; I579-K583 WeakPolarHBondContact O-CB 3.14Å; I579-K583 WeakPolarHBondContact O-CG 2.93Å; I579-K583 PolarHBondContact O-N 3.26Å; Q580-K583 PolarHBondContact O-N 3.03Å; K583-Q587 WeakPolarHBondContact O-CB 3.44Å; K583-Q587 WeakPolarHBondContact O-CG 3.24Å; K583-Q587 PolarHBondContact O-N 3.2Å
584T84.5Confident85.7Confident24 Ų2458.9 Ų58.915%0.14729%0.286CS..Hα-helixtrans-67.4-48.4179.9-52.70000110.5Y460 Q580 L581 R582 D586 Q587 Y588Y460-T584 HydrophobicContact CD1-CG2 4.36Å; Y460-T584 HydrophobicContact CD2-CG2 4.12Å; Y460-T584 HydrophobicContact CE1-CG2 4.3Å; Y460-T584 HydrophobicContact CE2-CG2 4.06Å; Y460-T584 HydrophobicContact CG-CG2 4.29Å; Q580-T584 WeakPolarHBondContact O-CB 3.43Å; Q580-T584 PolarHBondContact O-N 2.88Å; Q580-T584 PolarHBondContact O-OG1 3.4Å; L581-T584 PolarHBondContact O-N 3.41Å; R582-T584 VanDerWaalsContact C-N 3.3Å; R582-T584 PolarHBondContact O-N 3.11Å; T584-D586 VanDerWaalsContact C-N 3.33Å; T584-D586 PolarHBondContact O-N 3.04Å; T584-Q587 WeakPolarHBondContact O-CB 3.45Å; T584-Q587 PolarHBondContact O-N 3.04Å; T584-Y588 HydrophobicContact CG2-CD2 4.08Å; T584-Y588 HydrophobicContact CG2-CE2 3.84Å; T584-Y588 WeakPolarHBondContact O-CD2 3.47Å; T584-Y588 PolarHBondContact O-N 3.45Å
585R87.3Confident85.1Confident38 Ų3863.8 Ų63.814%0.14331%0.308CS..Hα-helixtrans-54.3-48.3174.3179.6-157.267.9-173.87.1111.8L457 L581 R582 Q587 Y588 L589L457-R585 HydrophobicContact CD1-CG 3.73Å; L457-R585 WeakPolarHBondContact CD1-O 3.45Å; L581-R585 VanDerWaalsContact O-CB 3.28Å; L581-R585 WeakPolarHBondContact O-CB 3.13Å; L581-R585 PolarHBondContact O-N 3.23Å; R582-R585 PolarHBondContact O-N 3.03Å; R585-Q587 VanDerWaalsContact C-N 3.31Å; R585-Q587 PolarHBondContact O-N 3.38Å; R585-Y588 PolarHBondContact O-N 3.17Å; R585-L589 WeakPolarHBondContact O-CB 3.35Å; R585-L589 PolarHBondContact O-N 3.34Å
586D83.3Confident84.5Confident48 Ų4863 Ų6326%0.25732%0.322SS..Hα-helixtrans-65.7-36.1-177.8-65.2-11.9000111R582 T584 L589 M590R582-D586 WeakPolarHBondContact CG-OD2 3.45Å; R582-D586 IonicContact NE-OD2 3.83Å; R582-D586 WeakPolarHBondContact O-CB 3.5Å; R582-D586 PolarHBondContact O-N 3.39Å; T584-D586 VanDerWaalsContact C-N 3.33Å; T584-D586 PolarHBondContact O-N 3.04Å; D586-L589 PolarHBondContact O-N 3.41Å; D586-M590 WeakPolarHBondContact O-CB 3.27Å; D586-M590 VanDerWaalsContact O-CG 3.27Å; D586-M590 WeakPolarHBondContact O-CG 3.48Å; D586-M590 PolarHBondContact O-N 3.31Å
587Q83.1Confident84.2Confident65 Ų6560.8 Ų60.830%0.30431%0.307SS..Hα-helixtrans-62.5-44.5172.6-73.7166.21900112.6K583 T584 R585 L589 M590 W591K583-Q587 WeakPolarHBondContact O-CB 3.44Å; K583-Q587 WeakPolarHBondContact O-CG 3.24Å; K583-Q587 PolarHBondContact O-N 3.2Å; T584-Q587 WeakPolarHBondContact O-CB 3.45Å; T584-Q587 PolarHBondContact O-N 3.04Å; R585-Q587 VanDerWaalsContact C-N 3.31Å; R585-Q587 PolarHBondContact O-N 3.38Å; Q587-L589 VanDerWaalsContact C-N 3.34Å; Q587-M590 PolarHBondContact O-N 2.81Å; Q587-W591 WeakPolarHBondContact O-CB 3.28Å; Q587-W591 PolarHBondContact O-N 2.74Å
588Y84.3Confident83.5Confident20 Ų2066.7 Ų66.78%0.07832%0.324CS..Hα-helixtrans-65.4-38.9176.9-83.7-114.4000111.4V444 V445 V453 K456 Y460 T584 R585 W591 L592V444-Y588 HydrophobicContact CG1-CE2 4.34Å; V445-Y588 HydrophobicContact CG1-CE1 4.44Å; V445-Y588 HydrophobicContact CG2-CD1 4.39Å; V445-Y588 HydrophobicContact CG2-CD2 4.14Å; V445-Y588 HydrophobicContact CG2-CE1 4.29Å; V445-Y588 HydrophobicContact CG2-CE2 4.09Å; V445-Y588 HydrophobicContact CG2-CG 4.31Å; V453-Y588 HydrophobicContact CG1-CD1 3.53Å; V453-Y588 HydrophobicContact CG1-CE1 4.01Å; V453-Y588 HydrophobicContact CG1-CG 4.43Å; K456-Y588 HydrophobicContact CB-CD1 4.06Å; K456-Y588 HydrophobicContact CB-CE1 3.52Å; K456-Y588 HydrophobicContact CG-CE1 4.4Å; Y460-Y588 HydrophobicContact CD2-CE2 4.31Å; Y460-Y588 HydrophobicContact CE2-CE1 4.29Å; Y460-Y588 HydrophobicContact CE2-CE2 4Å; Y460-Y588 AromaticContact CE2-CZ 3.79Å; T584-Y588 HydrophobicContact CG2-CD2 4.08Å; T584-Y588 HydrophobicContact CG2-CE2 3.84Å; T584-Y588 WeakPolarHBondContact O-CD2 3.47Å; T584-Y588 PolarHBondContact O-N 3.45Å; R585-Y588 PolarHBondContact O-N 3.17Å; Y588-W591 PolarHBondContact O-N 3.03Å; Y588-L592 WeakPolarHBondContact O-CG 3.46Å; Y588-L592 PolarHBondContact O-N 2.9Å
589L83.8Confident82.9Confident47 Ų4771.2 Ų71.225%0.24634%0.344CS..Hα-helixtrans-63.8-46.1176.5-167.7150.4000111.5L457 R585 D586 Q587 W591 L592 T593 L602 L606L457-L589 HydrophobicContact CD1-CB 4.46Å; R585-L589 WeakPolarHBondContact O-CB 3.35Å; R585-L589 PolarHBondContact O-N 3.34Å; D586-L589 PolarHBondContact O-N 3.41Å; Q587-L589 VanDerWaalsContact C-N 3.34Å; L589-W591 PolarHBondContact O-N 2.88Å; L589-L592 PolarHBondContact O-N 2.92Å; L589-T593 WeakPolarHBondContact O-CB 3.46Å; L589-T593 PolarHBondContact O-N 3.42Å; L589-T593 PolarHBondContact O-OG1 2.93Å; L589-L602 HydrophobicContact CD1-CD2 4.49Å; L589-L602 HydrophobicContact CD2-CD2 4.08Å; L589-L602 HydrophobicContact CG-CD2 3.82Å; L589-L606 HydrophobicContact CD1-CD1 3.96Å; L589-L606 HydrophobicContact CD1-CD2 4.31Å
590M80.1Confident82.5Confident54 Ų5475.1 Ų75.127%0.26636%0.357SS..Hα-helixtrans-60.7-43.9174.5-71.4-17591.400111.7Q441 D586 Q587 L592 T593 Q594Q441-M590 PolarHBondContact NE2-SD 3.4Å; Q441-M590 VanDerWaalsContact NE2-SD 3.44Å; D586-M590 WeakPolarHBondContact O-CB 3.27Å; D586-M590 VanDerWaalsContact O-CG 3.27Å; D586-M590 WeakPolarHBondContact O-CG 3.48Å; D586-M590 PolarHBondContact O-N 3.31Å; Q587-M590 PolarHBondContact O-N 2.81Å; M590-L592 PolarHBondContact O-N 3.42Å; M590-T593 WeakPolarHBondContact O-CB 3.5Å; M590-T593 PolarHBondContact O-N 3.49Å; M590-Q594 WeakPolarHBondContact O-CG 3.21Å; M590-Q594 PolarHBondContact O-N 3.23Å
591W83.3Confident82Confident2 Ų271.7 Ų71.71%0.00834%0.341CS..Hα-helixtrans-61.3-45.4179-17393.3000111.9D442 V445 I450 V453 Q587 Y588 L589 T593 Q594 K595D442-W591 PolarHBondContact OD1-NE1 3.43Å; V445-W591 HydrophobicContact CB-CD2 4.39Å; V445-W591 HydrophobicContact CB-CG 4.26Å; V445-W591 HydrophobicContact CG1-CD2 3.99Å; V445-W591 HydrophobicContact CG1-CE3 4.35Å; V445-W591 HydrophobicContact CG1-CG 4.34Å; V445-W591 HydrophobicContact CG1-CZ2 4.25Å; V445-W591 HydrophobicContact CG2-CB 4.16Å; V445-W591 HydrophobicContact CG2-CD2 4.5Å; V445-W591 HydrophobicContact CG2-CG 4.01Å; I450-W591 HydrophobicContact CG1-CZ3 4.38Å; V453-W591 HydrophobicContact CB-CE3 4.12Å; V453-W591 HydrophobicContact CB-CH2 4.42Å; V453-W591 HydrophobicContact CB-CZ3 3.74Å; V453-W591 HydrophobicContact CG1-CD2 4.39Å; V453-W591 HydrophobicContact CG1-CE3 3.6Å; V453-W591 HydrophobicContact CG1-CZ3 3.79Å; V453-W591 HydrophobicContact CG2-CE3 4.17Å; V453-W591 HydrophobicContact CG2-CH2 3.79Å; V453-W591 HydrophobicContact CG2-CZ3 3.61Å; Q587-W591 WeakPolarHBondContact O-CB 3.28Å; Q587-W591 PolarHBondContact O-N 2.74Å; Y588-W591 PolarHBondContact O-N 3.03Å; L589-W591 PolarHBondContact O-N 2.88Å; W591-T593 VanDerWaalsContact C-N 3.31Å; W591-T593 PolarHBondContact O-N 2.98Å; W591-Q594 PolarHBondContact O-N 3.44Å; W591-K595 HydrophobicContact CD2-CG 4.17Å; W591-K595 HydrophobicContact CE3-CG 4.02Å; W591-K595 HydrophobicContact CH2-CG 4.01Å; W591-K595 HydrophobicContact CZ2-CD 4.38Å; W591-K595 VanDerWaalsContact CZ2-CE 3.49Å; W591-K595 HydrophobicContact CZ2-CG 4.12Å; W591-K595 HydrophobicContact CZ3-CG 3.95Å; W591-K595 WeakPolarHBondContact O-CG 3.19Å; W591-K595 PolarHBondContact O-N 2.81Å
592L83.8Confident81.7Confident0 Ų070.6 Ų70.60%034%0.335CS..Hα-helixtrans-64.4-37.2176.7-70.2165.2000111.8I450 V453 L457 Y588 L589 M590 K595 G596 V597 L602 W605I450-L592 HydrophobicContact CG2-CD2 4.1Å; V453-L592 HydrophobicContact CB-CD2 4.13Å; V453-L592 HydrophobicContact CG1-CD1 4.32Å; V453-L592 HydrophobicContact CG1-CD2 3.95Å; V453-L592 HydrophobicContact CG1-CG 4.01Å; L457-L592 HydrophobicContact CB-CD1 4.21Å; L457-L592 HydrophobicContact CD2-CD1 3.6Å; Y588-L592 WeakPolarHBondContact O-CG 3.46Å; Y588-L592 PolarHBondContact O-N 2.9Å; L589-L592 PolarHBondContact O-N 2.92Å; M590-L592 PolarHBondContact O-N 3.42Å; L592-K595 PolarHBondContact O-N 2.93Å; L592-G596 PolarHBondContact O-N 3.02Å; L592-V597 HydrophobicContact CB-CB 4.4Å; L592-V597 HydrophobicContact CB-CG2 4.2Å; L592-V597 HydrophobicContact CD2-CG2 4.05Å; L592-V597 WeakPolarHBondContact O-CB 3.39Å; L592-V597 VanDerWaalsContact O-CG2 3.23Å; L592-V597 WeakPolarHBondContact O-CG2 3.45Å; L592-V597 PolarHBondContact O-N 3.01Å; L592-V597 VanDerWaalsContact O-N 3.13Å; L592-L602 HydrophobicContact CB-CD1 4.49Å; L592-W605 HydrophobicContact CD1-CE3 3.87Å; L592-W605 HydrophobicContact CD1-CZ3 3.67Å; L592-W605 HydrophobicContact CD2-CH2 4.17Å; L592-W605 HydrophobicContact CD2-CZ3 3.78Å; L592-W605 HydrophobicContact CG-CZ3 4.24Å
593T79.1Confident81.4Confident75 Ų7567 Ų6746%0.4633%0.325SS..Hα-helixtrans-65-43.7175.5-530000111.1L589 M590 W591 K595 G596L589-T593 WeakPolarHBondContact O-CB 3.46Å; L589-T593 PolarHBondContact O-N 3.42Å; L589-T593 PolarHBondContact O-OG1 2.93Å; M590-T593 WeakPolarHBondContact O-CB 3.5Å; M590-T593 PolarHBondContact O-N 3.49Å; W591-T593 VanDerWaalsContact C-N 3.31Å; W591-T593 PolarHBondContact O-N 2.98Å; T593-K595 VanDerWaalsContact C-N 3.29Å; T593-K595 PolarHBondContact O-N 3.37Å; T593-G596 PolarHBondContact O-N 2.96Å
594Q78.5Confident81.4Confident106 Ų10667.9 Ų67.950%0.49533%0.331SS..Hα-helixtrans-63.4-31.3176.3-74.2173.1-1.400113Q441 M590 W591 G596Q441-Q594 VanDerWaalsContact OE1-NE2 3.09Å; M590-Q594 WeakPolarHBondContact O-CG 3.21Å; M590-Q594 PolarHBondContact O-N 3.23Å; W591-Q594 PolarHBondContact O-N 3.44Å; Q594-G596 PolarHBondContact O-N 3.07Å
595K80.4Confident81.3Confident109 Ų10968 Ų6847%0.47433%0.329SS..THydrogen-bonded Turntrans-78.84.6174-64.9-68.1-178.7179.90113.5I450 W591 L592 T593I450-K595 HydrophobicContact CD1-CB 4.31Å; I450-K595 HydrophobicContact CG1-CB 4.44Å; W591-K595 HydrophobicContact CD2-CG 4.17Å; W591-K595 HydrophobicContact CE3-CG 4.02Å; W591-K595 HydrophobicContact CH2-CG 4.01Å; W591-K595 HydrophobicContact CZ2-CD 4.38Å; W591-K595 VanDerWaalsContact CZ2-CE 3.49Å; W591-K595 HydrophobicContact CZ2-CG 4.12Å; W591-K595 HydrophobicContact CZ3-CG 3.95Å; W591-K595 WeakPolarHBondContact O-CG 3.19Å; W591-K595 PolarHBondContact O-N 2.81Å; L592-K595 PolarHBondContact O-N 2.93Å; T593-K595 VanDerWaalsContact C-N 3.29Å; T593-K595 PolarHBondContact O-N 3.37Å
596G76.8Confident81Confident62 Ų6267 Ų6764%0.63933%0.327SS*.THydrogen-bonded Turntrans74.324.4176.600000114L592 T593 Q594 R598L592-G596 PolarHBondContact O-N 3.02Å; T593-G596 PolarHBondContact O-N 2.96Å; Q594-G596 PolarHBondContact O-N 3.07Å; G596-R598 PolarHBondContact O-N 3.21Å
597V83Confident80.5Confident23 Ų2367 Ų6714%0.13934%0.338CS..  trans-67.8130.3176-175.90000109.6I450 L592 K601 L602 W605I450-V597 HydrophobicContact CG2-CG2 3.49Å; I450-V597 VanDerWaalsContact CG2-CG2 3.49Å; L592-V597 HydrophobicContact CB-CB 4.4Å; L592-V597 HydrophobicContact CB-CG2 4.2Å; L592-V597 HydrophobicContact CD2-CG2 4.05Å; L592-V597 WeakPolarHBondContact O-CB 3.39Å; L592-V597 VanDerWaalsContact O-CG2 3.23Å; L592-V597 WeakPolarHBondContact O-CG2 3.45Å; L592-V597 PolarHBondContact O-N 3.01Å; L592-V597 VanDerWaalsContact O-N 3.13Å; V597-K601 HydrophobicContact CG1-CB 3.94Å; V597-K601 HydrophobicContact CG1-CD 4.11Å; V597-K601 HydrophobicContact CG1-CG 4.3Å; V597-L602 HydrophobicContact CB-CD1 3.76Å; V597-L602 HydrophobicContact CG1-CD1 3.62Å; V597-W605 HydrophobicContact CG1-CH2 4.22Å; V597-W605 HydrophobicContact CG1-CZ3 3.85Å
598R76.7Confident79.7Confident198 Ų19869 Ų6975%0.74735%0.349SS*.  trans-62.7143.3-178.5-58.5-174.2-138.1167.45.5111.5G596 K600 K601 L602G596-R598 PolarHBondContact O-N 3.21Å; R598-K600 PolarHBondContact O-N 2.76Å; R598-K600 VanDerWaalsContact O-N 3.11Å; R598-K601 PolarHBondContact O-N 3.38Å; R598-L602 PolarHBondContact O-N 2.86Å
599Q76.8Confident78.2Confident119 Ų11975.7 Ų75.756%0.55638%0.379SS*.Hα-helixtrans-52.8-36.5179.8-168.262.437.300113.5K601 L602 N603Q599-K601 VanDerWaalsContact C-N 3.33Å; Q599-K601 PolarHBondContact O-N 3.36Å; Q599-L602 WeakPolarHBondContact O-CB 3.43Å; Q599-L602 PolarHBondContact O-N 2.88Å; Q599-N603 PolarHBondContact NE2-OD1 3.21Å; Q599-N603 PolarHBondContact O-N 3.37Å; Q599-N603 PolarHBondContact O-OD1 3.07Å
600K77.2Confident76.4Confident179 Ų17980.6 Ų80.678%0.77841%0.405SS*.Hα-helixtrans-58.6-41.3177.3-171.8174.3-178173.10112.7R598 N603 E604R598-K600 PolarHBondContact O-N 2.76Å; R598-K600 VanDerWaalsContact O-N 3.11Å; K600-N603 PolarHBondContact O-N 2.79Å; K600-E604 PolarHBondContact O-N 3.07Å
601K78.6Confident74.5Confident59 Ų5985.7 Ų85.726%0.25743%0.428SS..Hα-helixtrans-73.8-33.4179.3-163174.3-167.1-175.70111.6E451 V597 R598 Q599 W605E451-K601 WeakPolarHBondContact OE1-CE 3.33Å; E451-K601 IonicContact OE1-NZ 2.73Å; E451-K601 PolarHBondContact OE1-NZ 3.29Å; E451-K601 IonicContact OE2-NZ 3.6Å; E451-K601 PolarHBondContact OE2-NZ 3.27Å; V597-K601 HydrophobicContact CG1-CB 3.94Å; V597-K601 HydrophobicContact CG1-CD 4.11Å; V597-K601 HydrophobicContact CG1-CG 4.3Å; R598-K601 PolarHBondContact O-N 3.38Å; Q599-K601 VanDerWaalsContact C-N 3.33Å; Q599-K601 PolarHBondContact O-N 3.36Å; K601-W605 HydrophobicContact CD-CH2 3.79Å; K601-W605 HydrophobicContact CD-CZ2 3.79Å; K601-W605 HydrophobicContact CD-CZ3 4.41Å; K601-W605 HydrophobicContact CG-CD2 4.26Å; K601-W605 HydrophobicContact CG-CE3 4.34Å; K601-W605 HydrophobicContact CG-CH2 3.94Å; K601-W605 HydrophobicContact CG-CZ2 3.84Å; K601-W605 HydrophobicContact CG-CZ3 4.16Å; K601-W605 PolarHBondContact O-N 3.15Å; K601-W605 VanDerWaalsContact O-N 3.11Å
602L82.4Confident72.2Confident1 Ų190.9 Ų90.91%0.00546%0.456CS..Hα-helixtrans-63.2-47.1169.1-88.783.7000111.5L589 L592 V597 R598 Q599 E604 W605 L606L589-L602 HydrophobicContact CD1-CD2 4.49Å; L589-L602 HydrophobicContact CD2-CD2 4.08Å; L589-L602 HydrophobicContact CG-CD2 3.82Å; L592-L602 HydrophobicContact CB-CD1 4.49Å; V597-L602 HydrophobicContact CB-CD1 3.76Å; V597-L602 HydrophobicContact CG1-CD1 3.62Å; R598-L602 PolarHBondContact O-N 2.86Å; Q599-L602 WeakPolarHBondContact O-CB 3.43Å; Q599-L602 PolarHBondContact O-N 2.88Å; L602-E604 VanDerWaalsContact C-N 3.28Å; L602-E604 PolarHBondContact O-N 3.44Å; L602-W605 PolarHBondContact O-N 3.04Å; L602-L606 WeakPolarHBondContact O-CB 3.3Å; L602-L606 VanDerWaalsContact O-CG 3.24Å; L602-L606 WeakPolarHBondContact O-CG 3.3Å; L602-L606 PolarHBondContact O-N 3.25Å
603N81.2Confident70.3Confident54 Ų5497.4 Ų97.429%0.28950%0.496SS..Hα-helixtrans-61.8-38.1179.8-66.5-5.7000111.7Q599 K600 L606 G607 I608Q599-N603 PolarHBondContact NE2-OD1 3.21Å; Q599-N603 PolarHBondContact O-N 3.37Å; Q599-N603 PolarHBondContact O-OD1 3.07Å; K600-N603 PolarHBondContact O-N 2.79Å; N603-L606 PolarHBondContact O-N 3.48Å; N603-G607 PolarHBondContact O-N 3.44Å; N603-I608 PolarHBondContact O-N 2.84Å
604E84.3Confident68.3Low143 Ų143102.4 Ų102.467%0.66851%0.514SS*.Hα-helixtrans-61.7-47.9173.4-174.1-179.8-177.700112K600 L602 L606 G607K600-E604 PolarHBondContact O-N 3.07Å; L602-E604 VanDerWaalsContact C-N 3.28Å; L602-E604 PolarHBondContact O-N 3.44Å; E604-L606 VanDerWaalsContact C-N 3.32Å; E604-L606 PolarHBondContact O-N 3.35Å; E604-G607 PolarHBondContact O-N 2.73Å
605W82.6Confident66.3Low25 Ų25102.8 Ų102.810%0.09552%0.52CS..Hα-helixtrans-69.2-26.8177.1-68-32.4000114.1I450 L457 L592 V597 K601 L602 G607I450-W605 HydrophobicContact CG2-CH2 4.05Å; L457-W605 HydrophobicContact CD2-CB 4.44Å; L592-W605 HydrophobicContact CD1-CE3 3.87Å; L592-W605 HydrophobicContact CD1-CZ3 3.67Å; L592-W605 HydrophobicContact CD2-CH2 4.17Å; L592-W605 HydrophobicContact CD2-CZ3 3.78Å; L592-W605 HydrophobicContact CG-CZ3 4.24Å; V597-W605 HydrophobicContact CG1-CH2 4.22Å; V597-W605 HydrophobicContact CG1-CZ3 3.85Å; K601-W605 HydrophobicContact CD-CH2 3.79Å; K601-W605 HydrophobicContact CD-CZ2 3.79Å; K601-W605 HydrophobicContact CD-CZ3 4.41Å; K601-W605 HydrophobicContact CG-CD2 4.26Å; K601-W605 HydrophobicContact CG-CE3 4.34Å; K601-W605 HydrophobicContact CG-CH2 3.94Å; K601-W605 HydrophobicContact CG-CZ2 3.84Å; K601-W605 HydrophobicContact CG-CZ3 4.16Å; K601-W605 PolarHBondContact O-N 3.15Å; K601-W605 VanDerWaalsContact O-N 3.11Å; L602-W605 PolarHBondContact O-N 3.04Å; W605-G607 PolarHBondContact O-N 2.9Å
606L81.9Confident64.4Low19 Ų19106.1 Ų106.110%0.09954%0.537CS..THydrogen-bonded Turntrans-79-1.9171.5-67.2170.9000112.4L457 H461 L589 L602 N603 E604 I608L457-L606 HydrophobicContact CD2-CD2 4.45Å; H461-L606 HydrophobicContact CB-CD2 4.45Å; H461-L606 PolarHBondContact CD2-O 3.36Å; H461-L606 PolarHBondContact NE2-O 3.44Å; L589-L606 HydrophobicContact CD1-CD1 3.96Å; L589-L606 HydrophobicContact CD1-CD2 4.31Å; L602-L606 WeakPolarHBondContact O-CB 3.3Å; L602-L606 VanDerWaalsContact O-CG 3.24Å; L602-L606 WeakPolarHBondContact O-CG 3.3Å; L602-L606 PolarHBondContact O-N 3.25Å; N603-L606 PolarHBondContact O-N 3.48Å; E604-L606 VanDerWaalsContact C-N 3.32Å; E604-L606 PolarHBondContact O-N 3.35Å; L606-I608 HydrophobicContact CB-CD1 4.2Å; L606-I608 HydrophobicContact CB-CG1 4.04Å; L606-I608 HydrophobicContact CD1-CD1 4.36Å; L606-I608 PolarHBondContact O-N 2.84Å
607G72.4Confident62.6Low47 Ų47114.4 Ų114.449%0.48555%0.551SS.*THydrogen-bonded Turntrans63.521.1179.500000113.5N603 E604 W605 K609N603-G607 PolarHBondContact O-N 3.44Å; E604-G607 PolarHBondContact O-N 2.73Å; W605-G607 PolarHBondContact O-N 2.9Å; G607-K609 PolarHBondContact O-N 3.16Å
608I67.2Low60.3Low106 Ų106116.8 Ų116.854%0.54457%0.568SS.*  trans-74.474.2170.4-52.7173000106.3N603 L606 N610N603-I608 PolarHBondContact O-N 2.84Å; L606-I608 HydrophobicContact CB-CD1 4.2Å; L606-I608 HydrophobicContact CB-CG1 4.04Å; L606-I608 HydrophobicContact CD1-CD1 4.36Å; L606-I608 PolarHBondContact O-N 2.84Å; I608-N610 PolarHBondContact O-N 3.05Å
609K53Low58.5Low162 Ų162116.1 Ų116.170%0.70458%0.576SS**  trans-69.2124.6164.3-68.8-178.4179.8178.40105.5G607 E611G607-K609 PolarHBondContact O-N 3.16Å; K609-E611 HydrophobicContact CB-CG 4.07Å; K609-E611 PolarHBondContact O-N 3.27Å
610N45.8Very low56.9Low150 Ų150115.9 Ų115.980%0.80258%0.583SS**  trans-65.783.5169.8-140.823.2000106.3I608 N612I608-N610 PolarHBondContact O-N 3.05Å; N610-N612 PolarHBondContact O-N 3.01Å
611E39.1Very low55.1Low160 Ų160114.8 Ų114.875%0.74859%0.585SS**  trans-76.612.8-178-77.1-166.4163.200112.5K609 T613K609-E611 HydrophobicContact CB-CG 4.07Å; K609-E611 PolarHBondContact O-N 3.27Å; E611-T613 PolarHBondContact O-N 3.23Å
612N35.8Very low53.6Low112 Ų112118.8 Ų118.860%0.59961%0.609SS**  trans-77.379165.7-79.129.9000109.6N610 E614N610-N612 PolarHBondContact O-N 3.01Å; N612-E614 PolarHBondContact O-N 2.98Å
613T42.7Very low52.3Low136 Ų136122.4 Ų122.483%0.83463%0.628SS**THydrogen-bonded Turntrans-74.736.8164.1-48.70000110.7E611E611-T613 PolarHBondContact O-N 3.23Å
614E39.1Very low51.1Low181 Ų181128.1 Ų128.185%0.84665%0.653SS**THydrogen-bonded Turntrans-134.1-0.4177.4-71.9-164.316400114.1N612 Q616N612-E614 PolarHBondContact O-N 2.98Å; E614-Q616 PolarHBondContact O-N 2.93Å; E614-Q616 VanDerWaalsContact O-N 3.15Å
615D35.8Very low49.6Very low114 Ų114127.6 Ų127.661%0.6166%0.656SS**  trans-9154.5169.3-74.5-41.7000111.5Y617D615-Y617 PolarHBondContact O-N 3.43Å
616Q40.8Very low48.6Very low179 Ų179128.6 Ų128.684%0.83666%0.662SS**THydrogen-bonded Turntrans-77.437166.5-161.5172.652.700111.2E614E614-Q616 PolarHBondContact O-N 2.93Å; E614-Q616 VanDerWaalsContact O-N 3.15Å
617Y38.7Very low47.8Very low235 Ų235130.5 Ų130.592%0.92268%0.676SS**THydrogen-bonded Turntrans-153.523.4172-96.8-78.6000113.5D615D615-Y617 PolarHBondContact O-N 3.43Å
618S34.5Very low47.9Very low73 Ų73128.6 Ų128.651%0.5165%0.654SS.*  trans-121.758.6174.81770000111.4V620S618-V620 PolarHBondContact O-N 3.12Å
619M38.5Very low47.9Very low185 Ų185126.7 Ų126.791%0.91164%0.643SS**THydrogen-bonded Turntrans-78.969.7172.5-64.8-78.2-97.700110
620V43.4Very low49.1Very low114 Ų114123.1 Ų123.169%0.69163%0.632SS**THydrogen-bonded Turntrans-135.41173.9-119.90000115.8S618S618-V620 PolarHBondContact O-N 3.12Å
621D39.8Very low50.4Low156 Ų156119.4 Ų119.483%0.83461%0.609SS**SBendtrans-124.744.5179.5-75.9-39.8000113.5
622D46.9Very low52.2Low143 Ų143121.8 Ų121.877%0.76561%0.611SS**  trans-118.937.7172.2-130.28.3000111.7
623D54.9Low54.2Low76 Ų76116.8 Ų116.841%0.40659%0.585SS.*  trans-90.7-2.7-170.6-132.2-2.2000114.2L626 H629 Q709 H710D623-L626 WeakPolarHBondContact OD1-CD1 3.4Å; D623-H629 PolarHBondContact O-NE2 3.46Å; D623-Q709 PolarHBondContact OD1-NE2 3.12Å; D623-H710 IonicContact OD1-CE1 3.49Å
624E55.5Low56.2Low174 Ų174110.3 Ų110.381%0.81355%0.546SS*.SBendtrans-102.7-2.5-174.5-78.8-147154.800116.5
625D53Low58.4Low133 Ų133106.5 Ų106.571%0.71152%0.524SS*.SBendtrans-121.118.9175.5-122.711.2000112.5
626L62.9Low60.5Low46 Ų46102.2 Ų102.224%0.24150%0.5CS..  trans-72.6133.3179.6-76161.5000111.4D623 H628 H629D623-L626 WeakPolarHBondContact OD1-CD1 3.4Å; L626-H628 PolarHBondContact O-N 3.38Å; L626-H629 PolarHBondContact O-N 3.19Å
627P64.7Low62.2Low58 Ų5895.6 Ų95.638%0.37748%0.481SS..G310 helixtrans-56.9-20.4177.5-24.132.9000114.1H629 D630 S633 P727 A730P627-H629 PolarHBondContact O-N 3.44Å; P627-D630 PolarHBondContact O-N 3.13Å; P627-S633 PolarHBondContact O-OG 3.22Å; P627-P727 HydrophobicContact CB-CG 4.02Å; P627-A730 HydrophobicContact CB-CB 3.44Å; P627-A730 VanDerWaalsContact CB-CB 3.44Å; P627-A730 HydrophobicContact CG-CB 3.99Å
628H73.1Confident63.9Low8 Ų891.3 Ų91.34%0.03747%0.474CS..G310 helixtrans-63.9-21177.5-5596.5000114L626 D630 W634 F656 V705 L706 Q709 L724 A725 P727L626-H628 PolarHBondContact O-N 3.38Å; H628-D630 VanDerWaalsContact C-N 3.31Å; H628-D630 PolarHBondContact O-N 3.43Å; H628-W634 PolarHBondContact O-NE1 3.13Å; H628-F656 AromaticContact CD2-CE1 3.67Å; H628-F656 AromaticContact CD2-CZ 3.8Å; H628-F656 AromaticContact NE2-CE1 3.79Å; H628-V705 HydrophobicContact CB-CG1 4.47Å; H628-L706 HydrophobicContact CB-CD2 3.91Å; H628-Q709 PolarHBondContact ND1-OE1 3.1Å; H628-Q709 VanDerWaalsContact ND1-OE1 3.12Å; H628-L724 PolarHBondContact NE2-O 2.88Å; H628-A725 PolarHBondContact CE1-O 2.99Å; H628-A725 VanDerWaalsContact NE2-C 3.34Å; H628-A725 PolarHBondContact NE2-O 3.2Å; H628-A725 VanDerWaalsContact NE2-O 3.13Å; H628-P727 VanDerWaalsContact CD2-CG 3.47Å; H628-P727 WeakPolarHBondContact CD2-CG 3.46Å; H628-P727 WeakPolarHBondContact NE2-CD 3.32Å
629H69Low66.2Low65 Ų6589.7 Ų89.730%0.30146%0.459SS..G310 helixtrans-70.6-26179.1-81.4-71.2000113.9D623 L626 P627 E631 K702D623-H629 PolarHBondContact O-NE2 3.46Å; L626-H629 PolarHBondContact O-N 3.19Å; P627-H629 PolarHBondContact O-N 3.44Å; H629-E631 PolarHBondContact O-N 3.35Å; H629-K702 WeakPolarHBondContact ND1-CE 3.28Å; H629-K702 PolarHBondContact ND1-NZ 3.35Å; H629-K702 PolarHBondContact O-NZ 3.38Å
630D76.8Confident68.3Low88 Ų8886.2 Ų86.247%0.47144%0.444SS..  trans-84.8104.6174.4-176.88.8000109.8P627 H628 R632 S633 W634P627-D630 PolarHBondContact O-N 3.13Å; H628-D630 VanDerWaalsContact C-N 3.31Å; H628-D630 PolarHBondContact O-N 3.43Å; D630-R632 PolarHBondContact O-N 2.78Å; D630-R632 VanDerWaalsContact O-N 3.11Å; D630-R632 VanDerWaalsContact OD1-CB 3.32Å; D630-R632 WeakPolarHBondContact OD1-CB 3.33Å; D630-R632 PolarHBondContact OD1-N 3.02Å; D630-S633 WeakPolarHBondContact O-CB 3.3Å; D630-S633 PolarHBondContact O-N 3.32Å; D630-S633 PolarHBondContact O-OG 3.45Å; D630-W634 PolarHBondContact O-NE1 3.04Å
631E74.1Confident70.3Confident72 Ų7287.7 Ų87.734%0.33644%0.437SS..G310 helixtrans-56.1-28.4176.7-67.4-166.8-172.200112.2H629 S633 W634 R635H629-E631 PolarHBondContact O-N 3.35Å; E631-S633 PolarHBondContact O-N 2.99Å; E631-W634 HydrophobicContact CB-CZ2 4.39Å; E631-W634 HydrophobicContact CG-CH2 4.48Å; E631-W634 HydrophobicContact CG-CZ2 3.96Å; E631-W634 PolarHBondContact O-N 3.44Å; E631-R635 HydrophobicContact CB-CB 4.48Å; E631-R635 WeakPolarHBondContact O-CA 3.38Å; E631-R635 WeakPolarHBondContact O-CB 3.5Å; E631-R635 PolarHBondContact O-N 3.2Å; E631-R635 IonicContact OE2-CZ 3.31Å; E631-R635 IonicContact OE2-NH1 2.6Å; E631-R635 PolarHBondContact OE2-NH1 3.46Å
632R76Confident72.4Confident209 Ų20986.6 Ų86.679%0.78943%0.43SS*.G310 helixtrans-68.8-18.8179.4-60178.9176.4-178.90.2112.9D630D630-R632 PolarHBondContact O-N 2.78Å; D630-R632 VanDerWaalsContact O-N 3.11Å; D630-R632 VanDerWaalsContact OD1-CB 3.32Å; D630-R632 WeakPolarHBondContact OD1-CB 3.33Å; D630-R632 PolarHBondContact OD1-N 3.02Å
633S79.2Confident74.1Confident7 Ų784.7 Ų84.75%0.04942%0.417CS..G310 helixtrans-79.4-21.2-177.3740000113.6P627 D630 E631 P727 V728 Y729P627-S633 PolarHBondContact O-OG 3.22Å; D630-S633 WeakPolarHBondContact O-CB 3.3Å; D630-S633 PolarHBondContact O-N 3.32Å; D630-S633 PolarHBondContact O-OG 3.45Å; E631-S633 PolarHBondContact O-N 2.99Å; S633-P727 WeakPolarHBondContact O-CB 3.2Å; S633-P727 VanDerWaalsContact OG-CB 3.29Å; S633-P727 WeakPolarHBondContact OG-CB 3.32Å; S633-V728 WeakPolarHBondContact O-CG1 3.35Å; S633-V728 PolarHBondContact O-N 3.33Å; S633-Y729 PolarHBondContact O-N 3.11Å
634W84.5Confident75.5Confident0 Ų081 Ų810%040%0.398CS..THydrogen-bonded Turntrans-135.2-22.4-178.452.3-94.6000114.8H628 D630 E631 L636 F656 L657 V658 L701 K702 V705 P727H628-W634 PolarHBondContact O-NE1 3.13Å; D630-W634 PolarHBondContact O-NE1 3.04Å; E631-W634 HydrophobicContact CB-CZ2 4.39Å; E631-W634 HydrophobicContact CG-CH2 4.48Å; E631-W634 HydrophobicContact CG-CZ2 3.96Å; E631-W634 PolarHBondContact O-N 3.44Å; W634-L636 PolarHBondContact O-N 3.32Å; W634-F656 HydrophobicContact CB-CD2 4.33Å; W634-F656 HydrophobicContact CB-CE2 3.6Å; W634-F656 HydrophobicContact CB-CZ 3.8Å; W634-F656 HydrophobicContact CD2-CE2 4.15Å; W634-F656 HydrophobicContact CE3-CE2 4.28Å; W634-F656 AromaticContact CG-CE2 3.87Å; W634-F656 HydrophobicContact CG-CE2 3.87Å; W634-F656 AromaticContact CG-CZ 3.95Å; W634-F656 HydrophobicContact CG-CZ 3.95Å; W634-L657 CarbonylContact O-C 3.51Å; W634-L657 VanDerWaalsContact O-CA 3.25Å; W634-L657 WeakPolarHBondContact O-CA 3.34Å; W634-V658 HydrophobicContact CE3-CB 3.9Å; W634-V658 HydrophobicContact CE3-CG2 3.71Å; W634-V658 HydrophobicContact CZ3-CB 3.97Å; W634-V658 HydrophobicContact CZ3-CG2 3.82Å; W634-V658 PolarHBondContact O-N 3.39Å; W634-L701 HydrophobicContact CH2-CB 4.1Å; W634-L701 HydrophobicContact CZ3-CB 4.43Å; W634-K702 HydrophobicContact CZ2-CB 4.31Å; W634-V705 HydrophobicContact CD2-CG1 4.41Å; W634-V705 HydrophobicContact CD2-CG2 4.27Å; W634-V705 HydrophobicContact CE3-CG2 3.96Å; W634-V705 HydrophobicContact CH2-CB 4.42Å; W634-V705 HydrophobicContact CH2-CG2 3.86Å; W634-V705 HydrophobicContact CZ2-CB 4.3Å; W634-V705 HydrophobicContact CZ2-CG1 4.5Å; W634-V705 HydrophobicContact CZ2-CG2 4.16Å; W634-V705 HydrophobicContact CZ3-CG2 3.75Å; W634-P727 HydrophobicContact CB-CB 3.93Å; W634-P727 HydrophobicContact CG-CB 4.46Å
635R84.9Confident77.1Confident102 Ų10275.3 Ų75.339%0.38537%0.371SS..BIsolated β-bridgetrans-89.8108.8-179.2-169.8-179.2177178.90.8110.3E631E631-R635 HydrophobicContact CB-CB 4.48Å; E631-R635 WeakPolarHBondContact O-CA 3.38Å; E631-R635 WeakPolarHBondContact O-CB 3.5Å; E631-R635 PolarHBondContact O-N 3.2Å; E631-R635 IonicContact OE2-CZ 3.31Å; E631-R635 IonicContact OE2-NH1 2.6Å; E631-R635 PolarHBondContact OE2-NH1 3.46Å
636L78.6Confident78.7Confident23 Ų2372 Ų7212%0.1236%0.362CS..  trans-106141.2173.7-54.7176.7000108.3W634 I639 L657 V658 R659 V728 Y729W634-L636 PolarHBondContact O-N 3.32Å; L636-I639 HydrophobicContact CB-CD1 3.55Å; L636-I639 HydrophobicContact CB-CG1 4.12Å; L636-I639 HydrophobicContact CD1-CD1 3.64Å; L636-I639 HydrophobicContact CG-CD1 4.07Å; L636-L657 HydrophobicContact CD1-CB 4.03Å; L636-L657 HydrophobicContact CD1-CD1 4.19Å; L636-L657 HydrophobicContact CD1-CD2 3.87Å; L636-L657 HydrophobicContact CD1-CG 4.24Å; L636-L657 HydrophobicContact CG-CB 4.48Å; L636-V658 PolarHBondContact N-O 3.16Å; L636-R659 VanDerWaalsContact O-CA 3.29Å; L636-R659 WeakPolarHBondContact O-CA 3.15Å; L636-V728 HydrophobicContact CD1-CG1 4.24Å; L636-Y729 HydrophobicContact CD1-CE2 4.33Å; L636-Y729 HydrophobicContact CD2-CD2 4.18Å; L636-Y729 HydrophobicContact CD2-CE2 3.57Å
637G76.5Confident79.8Confident41 Ų4172 Ų7242%0.42336%0.364SS..SBendtrans-74.9-123.7-177.900000112.5I639 D660G637-I639 VanDerWaalsContact C-N 3.29Å; G637-I639 PolarHBondContact O-N 2.99Å; G637-D660 VanDerWaalsContact C-OD2 3.29Å; G637-D660 PolarHBondContact O-N 2.65Å; G637-D660 VanDerWaalsContact O-N 3.16Å
638N75.8Confident80.7Confident145 Ų14569.2 Ų69.278%0.77535%0.346SS*.SBendtrans-7178177.7-78.5-31.3000112.3D660N638-D660 PolarHBondContact N-OD2 3.46Å; N638-D660 PolarHBondContact OD1-OD2 3.19Å
639I82.2Confident81.2Confident38 Ų3876.1 Ų76.120%0.19538%0.378CS..  trans-111.9135.1170-63.2-167.7000109.4L636 G637 Q643 A644 R659L636-I639 HydrophobicContact CB-CD1 3.55Å; L636-I639 HydrophobicContact CB-CG1 4.12Å; L636-I639 HydrophobicContact CD1-CD1 3.64Å; L636-I639 HydrophobicContact CG-CD1 4.07Å; G637-I639 VanDerWaalsContact C-N 3.29Å; G637-I639 PolarHBondContact O-N 2.99Å; I639-Q643 HydrophobicContact CG2-CB 3.44Å; I639-Q643 VanDerWaalsContact CG2-CB 3.44Å; I639-A644 HydrophobicContact CG2-CB 4.4Å; I639-R659 WeakPolarHBondContact O-CD 3.45Å
640N82.6Confident81.6Confident113 Ų11377 Ų7760%0.60440%0.404SS*.  trans-79.8158.7179-73.2-7.4000111.9L642 Q643 A644N640-L642 VanDerWaalsContact C-N 3.29Å; N640-L642 PolarHBondContact O-N 3.34Å; N640-Q643 WeakPolarHBondContact O-CB 3.39Å; N640-Q643 PolarHBondContact O-N 3.01Å; N640-A644 PolarHBondContact O-N 3.49Å
641R84.4Confident82Confident144 Ų14477.7 Ų77.754%0.54340%0.403SS..Hα-helixtrans-48.4-47.8179.5-173.7-177.3172159.61.2113.2Q643 A644 E645 H679R641-Q643 VanDerWaalsContact C-N 3.33Å; R641-Q643 PolarHBondContact O-N 3.49Å; R641-A644 PolarHBondContact O-N 3.28Å; R641-E645 IonicContact CZ-OE1 3.02Å; R641-E645 IonicContact NE-OE1 3.97Å; R641-E645 PolarHBondContact NE-OE1 3.24Å; R641-E645 IonicContact NH2-OE1 3.75Å; R641-E645 WeakPolarHBondContact O-CG 3.39Å; R641-E645 PolarHBondContact O-N 3.43Å; R641-H679 VanDerWaalsContact CG-CE1 3.42Å; R641-H679 WeakPolarHBondContact CG-CE1 3.32Å; R641-H679 PolarHBondContact NE-CD2 2.94Å
642L83.9Confident82.4Confident133 Ų13379.6 Ų79.670%0.69641%0.407SS*.Hα-helixtrans-65.3-34.1-179.6-65.5171.1000113N640 A646N640-L642 VanDerWaalsContact C-N 3.29Å; N640-L642 PolarHBondContact O-N 3.34Å; L642-A646 PolarHBondContact O-N 3Å; L642-A646 VanDerWaalsContact O-N 3.07Å
643Q83.8Confident82.8Confident103 Ų10373.4 Ų73.448%0.48139%0.39SS..Hα-helixtrans-73.6-38.1177.5-70.1171.2-28.500110.9I639 N640 R641 E645 A646 V647I639-Q643 HydrophobicContact CG2-CB 3.44Å; I639-Q643 VanDerWaalsContact CG2-CB 3.44Å; N640-Q643 WeakPolarHBondContact O-CB 3.39Å; N640-Q643 PolarHBondContact O-N 3.01Å; R641-Q643 VanDerWaalsContact C-N 3.33Å; R641-Q643 PolarHBondContact O-N 3.49Å; Q643-E645 VanDerWaalsContact C-N 3.35Å; Q643-A646 PolarHBondContact O-N 3.5Å; Q643-V647 VanDerWaalsContact O-CG2 3.32Å; Q643-V647 WeakPolarHBondContact O-CG2 3.44Å; Q643-V647 PolarHBondContact O-N 3.36Å; Q643-V647 VanDerWaalsContact O-N 3.09Å
644A84.6Confident82.8Confident0 Ų073.2 Ų73.20%039%0.389CS..Hα-helixtrans-63.3-41.4173.300000111.7I639 N640 R641 V647 L648 L657I639-A644 HydrophobicContact CG2-CB 4.4Å; N640-A644 PolarHBondContact O-N 3.49Å; R641-A644 PolarHBondContact O-N 3.28Å; A644-V647 PolarHBondContact O-N 3.35Å; A644-L648 WeakPolarHBondContact O-CB 3.24Å; A644-L648 WeakPolarHBondContact O-CG 3.46Å; A644-L648 PolarHBondContact O-N 3.07Å; A644-L657 HydrophobicContact CB-CD1 4Å; A644-L657 HydrophobicContact CB-CD2 4.29Å
645E88.7Confident82.9Confident53 Ų5373.6 Ų73.625%0.24839%0.391CS..Hα-helixtrans-60.4-44.3174-72.7167.4-174.800111.4R641 Q643 V647 L648 Q649 V677 H679R641-E645 IonicContact CZ-OE1 3.02Å; R641-E645 IonicContact NE-OE1 3.97Å; R641-E645 PolarHBondContact NE-OE1 3.24Å; R641-E645 IonicContact NH2-OE1 3.75Å; R641-E645 WeakPolarHBondContact O-CG 3.39Å; R641-E645 PolarHBondContact O-N 3.43Å; Q643-E645 VanDerWaalsContact C-N 3.35Å; E645-V647 PolarHBondContact O-N 3.29Å; E645-L648 PolarHBondContact O-N 2.89Å; E645-Q649 WeakPolarHBondContact O-CB 3.38Å; E645-Q649 PolarHBondContact O-N 3.44Å; E645-V677 HydrophobicContact CG-CB 4.02Å; E645-V677 HydrophobicContact CG-CG1 3.95Å; E645-H679 WeakPolarHBondContact CG-NE2 3.44Å; E645-H679 IonicContact OE1-CD2 3.34Å; E645-H679 IonicContact OE1-CE1 2.88Å; E645-H679 IonicContact OE1-NE2 3.24Å; E645-H679 PolarHBondContact OE1-NE2 3.13Å
646A86Confident83.2Confident64 Ų6468.8 Ų68.853%0.52937%0.373SS..Hα-helixtrans-63.2-35.8177.200000113.8L642 Q643L642-A646 PolarHBondContact O-N 3Å; L642-A646 VanDerWaalsContact O-N 3.07Å; Q643-A646 PolarHBondContact O-N 3.5Å
647V85.4Confident83.7Confident46 Ų4667.7 Ų67.728%0.27937%0.367SS..Hα-helixtrans-74.3-33.7178.61760000111.7Q643 A644 E645 L657 V728Q643-V647 VanDerWaalsContact O-CG2 3.32Å; Q643-V647 WeakPolarHBondContact O-CG2 3.44Å; Q643-V647 PolarHBondContact O-N 3.36Å; Q643-V647 VanDerWaalsContact O-N 3.09Å; A644-V647 PolarHBondContact O-N 3.35Å; E645-V647 PolarHBondContact O-N 3.29Å; V647-L657 HydrophobicContact CG1-CD2 4.39Å; V647-V728 HydrophobicContact CG1-CG2 3.47Å; V647-V728 VanDerWaalsContact CG1-CG2 3.47Å
648L84.7Confident84.3Confident0 Ų065.8 Ų65.80%035%0.347CS..Hα-helixtrans-89.9-10.6-179-68.2175000113.5A644 E645 G650 K651 T655 L657 S670 V672 V677 V728A644-L648 WeakPolarHBondContact O-CB 3.24Å; A644-L648 WeakPolarHBondContact O-CG 3.46Å; A644-L648 PolarHBondContact O-N 3.07Å; E645-L648 PolarHBondContact O-N 2.89Å; L648-G650 PolarHBondContact O-N 3.36Å; L648-K651 WeakPolarHBondContact O-CB 3.23Å; L648-K651 WeakPolarHBondContact O-CG 3.33Å; L648-K651 PolarHBondContact O-N 2.84Å; L648-K651 VanDerWaalsContact O-N 3.15Å; L648-T655 HydrophobicContact CD2-CG2 3.82Å; L648-L657 HydrophobicContact CD1-CD2 3.81Å; L648-L657 HydrophobicContact CD1-CG 4.08Å; L648-L657 HydrophobicContact CD2-CD2 4.02Å; L648-L657 HydrophobicContact CG-CD2 3.7Å; L648-L657 HydrophobicContact CG-CG 4.46Å; L648-S670 WeakPolarHBondContact CD1-O 3.49Å; L648-V672 HydrophobicContact CB-CG2 3.8Å; L648-V672 HydrophobicContact CD2-CG2 4.25Å; L648-V672 HydrophobicContact CG-CG2 4.42Å; L648-V677 HydrophobicContact CB-CG1 4.34Å; L648-V677 HydrophobicContact CB-CG2 3.7Å; L648-V677 HydrophobicContact CD1-CG1 3.78Å; L648-V728 HydrophobicContact CD2-CG2 4.07Å
649Q84Confident84.8Confident153 Ų15360 Ų6072%0.71532%0.315SS*.THydrogen-bonded Turntrans-61.1126.7-179.9-170172.21.800111.4E645 K651E645-Q649 WeakPolarHBondContact O-CB 3.38Å; E645-Q649 PolarHBondContact O-N 3.44Å; Q649-K651 VanDerWaalsContact C-N 3.26Å; Q649-K651 PolarHBondContact O-N 3.41Å
650G77.7Confident85Confident82 Ų8260.5 Ų60.585%0.84532%0.318SS*.THydrogen-bonded Turntrans73.411.6-179.700000114.9L648L648-G650 PolarHBondContact O-N 3.36Å
651K84.3Confident84.9Confident103 Ų10356.4 Ų56.445%0.44830%0.298SS..PPolyproline II helixtrans-85.3160.7171.3-59.5-66.1-176.9174.10110.7L648 Q649 T655 V672L648-K651 WeakPolarHBondContact O-CB 3.23Å; L648-K651 WeakPolarHBondContact O-CG 3.33Å; L648-K651 PolarHBondContact O-N 2.84Å; L648-K651 VanDerWaalsContact O-N 3.15Å; Q649-K651 VanDerWaalsContact C-N 3.26Å; Q649-K651 PolarHBondContact O-N 3.41Å; K651-T655 HydrophobicContact CB-CG2 4.13Å; K651-T655 HydrophobicContact CG-CG2 4.44Å; K651-V672 HydrophobicContact CB-CG2 4.39Å
652R82.2Confident84.4Confident113 Ų11355.6 Ų55.643%0.42632%0.315SS..PPolyproline II helixtrans-66.3152.7177.662.4-178.1168.1175.1-4.5111.6T655 Y726R652-T655 VanDerWaalsContact CG-OG1 3.29Å; R652-T655 WeakPolarHBondContact CG-OG1 3.33Å; R652-T655 VanDerWaalsContact O-CB 3.31Å; R652-T655 WeakPolarHBondContact O-CB 3.34Å; R652-T655 PolarHBondContact O-N 3.41Å; R652-T655 VanDerWaalsContact O-N 3.15Å; R652-T655 PolarHBondContact O-OG1 2.96Å; R652-Y726 VanDerWaalsContact CD-CD2 3.48Å; R652-Y726 HydrophobicContact CG-CD2 3.74Å; R652-Y726 HydrophobicContact CG-CE2 3.99Å; R652-Y726 VanDerWaalsContact CZ-CD2 3.44Å; R652-Y726 VanDerWaalsContact CZ-CE2 3.48Å; R652-Y726 VanDerWaalsContact NE-CE2 3.3Å; R652-Y726 PolarHBondContact NH1-OH 3.3Å; R652-Y726 VanDerWaalsContact NH2-CE1 3.28Å
653D83.9Confident84Confident79 Ų7955.6 Ų55.642%0.42231%0.309SS..THydrogen-bonded Turntrans-56.5141.3173.5-65-14.2000110.9T655 E674 G675D653-T655 VanDerWaalsContact C-N 3.31Å; D653-E674 PolarHBondContact OD1-N 2.78Å; D653-E674 WeakPolarHBondContact OD2-CA 3.21Å; D653-E674 PolarHBondContact OD2-N 2.9Å; D653-G675 PolarHBondContact OD1-N 3.15Å
654G79.9Confident83.3Confident3 Ų355.9 Ų55.93%0.03133%0.329CS..THydrogen-bonded Turntrans81.51.2-173.800000115V672 T723 A725 Y726G654-V672 PolarHBondContact N-O 2.92Å; G654-T723 VanDerWaalsContact CA-O 3.32Å; G654-T723 WeakPolarHBondContact CA-O 3.09Å; G654-A725 PolarHBondContact O-N 3.44Å; G654-A725 VanDerWaalsContact O-N 3.16Å; G654-Y726 PolarHBondContact O-N 3.02Å; G654-Y726 VanDerWaalsContact O-N 3.11Å
655T87.6Confident82.5Confident8 Ų858.4 Ų58.45%0.04936%0.355CS..EExtended strand (participates in β ladder)trans-73.6128.5169-50.60000110L648 K651 R652 D653 V671 V672 Y726L648-T655 HydrophobicContact CD2-CG2 3.82Å; K651-T655 HydrophobicContact CB-CG2 4.13Å; K651-T655 HydrophobicContact CG-CG2 4.44Å; R652-T655 VanDerWaalsContact CG-OG1 3.29Å; R652-T655 WeakPolarHBondContact CG-OG1 3.33Å; R652-T655 VanDerWaalsContact O-CB 3.31Å; R652-T655 WeakPolarHBondContact O-CB 3.34Å; R652-T655 PolarHBondContact O-N 3.41Å; R652-T655 VanDerWaalsContact O-N 3.15Å; R652-T655 PolarHBondContact O-OG1 2.96Å; D653-T655 VanDerWaalsContact C-N 3.31Å; T655-V671 WeakPolarHBondContact O-CA 3.28Å; T655-V672 PolarHBondContact O-N 3.19Å; T655-Y726 CarbonylContact C-O 3.43Å; T655-Y726 VanDerWaalsContact CA-O 3.3Å; T655-Y726 WeakPolarHBondContact CA-O 3.37Å
656F89.9Confident82.2Confident0 Ų057.1 Ų57.10%035%0.352CS..EExtended strand (participates in β ladder)trans-137.7160.2-17479.1-80.2000113.9H628 W634 V658 S670 V671 V705 L724 Y726 P727 V728H628-F656 AromaticContact CD2-CE1 3.67Å; H628-F656 AromaticContact CD2-CZ 3.8Å; H628-F656 AromaticContact NE2-CE1 3.79Å; W634-F656 HydrophobicContact CB-CD2 4.33Å; W634-F656 HydrophobicContact CB-CE2 3.6Å; W634-F656 HydrophobicContact CB-CZ 3.8Å; W634-F656 HydrophobicContact CD2-CE2 4.15Å; W634-F656 HydrophobicContact CE3-CE2 4.28Å; W634-F656 AromaticContact CG-CE2 3.87Å; W634-F656 HydrophobicContact CG-CE2 3.87Å; W634-F656 AromaticContact CG-CZ 3.95Å; W634-F656 HydrophobicContact CG-CZ 3.95Å; F656-V658 HydrophobicContact CD2-CG2 4.48Å; F656-S670 CarbonylContact C-O 3.45Å; F656-S670 VanDerWaalsContact CA-O 3.26Å; F656-S670 WeakPolarHBondContact CA-O 3.24Å; F656-V671 HydrophobicContact CB-CB 4.05Å; F656-V671 HydrophobicContact CB-CG2 4.08Å; F656-V705 HydrophobicContact CE1-CG1 4.4Å; F656-V705 HydrophobicContact CE2-CG1 3.68Å; F656-V705 HydrophobicContact CE2-CG2 3.95Å; F656-V705 HydrophobicContact CZ-CG1 3.35Å; F656-V705 HydrophobicContact CZ-CG2 4.48Å; F656-L724 HydrophobicContact CB-CD2 3.64Å; F656-L724 HydrophobicContact CD1-CB 3.64Å; F656-L724 HydrophobicContact CD1-CD2 4.09Å; F656-L724 HydrophobicContact CD1-CG 4.39Å; F656-L724 HydrophobicContact CD2-CB 4.33Å; F656-L724 HydrophobicContact CD2-CD1 4.2Å; F656-L724 HydrophobicContact CD2-CD2 3.93Å; F656-L724 HydrophobicContact CD2-CG 4.39Å; F656-L724 HydrophobicContact CE1-CB 3.7Å; F656-L724 WeakPolarHBondContact CE1-O 3.4Å; F656-L724 HydrophobicContact CE2-CB 4.38Å; F656-L724 HydrophobicContact CE2-CD1 4.26Å; F656-L724 HydrophobicContact CG-CB 3.99Å; F656-L724 HydrophobicContact CG-CD2 3.61Å; F656-L724 HydrophobicContact CG-CG 4.25Å; F656-L724 HydrophobicContact CZ-CB 4.11Å; F656-Y726 VanDerWaalsContact CD1-O 3.28Å; F656-Y726 WeakPolarHBondContact CD1-O 3.1Å; F656-Y726 PolarHBondContact N-O 3.04Å; F656-P727 HydrophobicContact CE1-CG 4.25Å; F656-P727 HydrophobicContact CZ-CG 4.41Å; F656-V728 PolarHBondContact O-N 3.09Å; F656-V728 VanDerWaalsContact O-N 3.16Å
657L88.9Confident82.2Confident0 Ų055.8 Ų55.80%033%0.333CS..EExtended strand (participates in β ladder)trans-144.3151.7167.264.589.4000110.1W634 L636 A644 V647 L648 R659 S670 V728W634-L657 CarbonylContact O-C 3.51Å; W634-L657 VanDerWaalsContact O-CA 3.25Å; W634-L657 WeakPolarHBondContact O-CA 3.34Å; L636-L657 HydrophobicContact CD1-CB 4.03Å; L636-L657 HydrophobicContact CD1-CD1 4.19Å; L636-L657 HydrophobicContact CD1-CD2 3.87Å; L636-L657 HydrophobicContact CD1-CG 4.24Å; L636-L657 HydrophobicContact CG-CB 4.48Å; A644-L657 HydrophobicContact CB-CD1 4Å; A644-L657 HydrophobicContact CB-CD2 4.29Å; V647-L657 HydrophobicContact CG1-CD2 4.39Å; L648-L657 HydrophobicContact CD1-CD2 3.81Å; L648-L657 HydrophobicContact CD1-CG 4.08Å; L648-L657 HydrophobicContact CD2-CD2 4.02Å; L648-L657 HydrophobicContact CG-CD2 3.7Å; L648-L657 HydrophobicContact CG-CG 4.46Å; L657-R659 HydrophobicContact CD1-CB 4.13Å; L657-R659 HydrophobicContact CD1-CG 4.38Å; L657-S670 PolarHBondContact N-O 3.36Å; L657-S670 PolarHBondContact O-N 2.82Å; L657-V728 HydrophobicContact CB-CB 4.25Å; L657-V728 HydrophobicContact CB-CG1 3.94Å; L657-V728 HydrophobicContact CD2-CG2 4.36Å
658V89.1Confident82.3Confident1 Ų153.8 Ų53.81%0.00632%0.321CS..EExtended strand (participates in β ladder)trans-110.5128.2173.9179.70000108.4W634 L636 F656 A668 C669 I682 V705W634-V658 HydrophobicContact CE3-CB 3.9Å; W634-V658 HydrophobicContact CE3-CG2 3.71Å; W634-V658 HydrophobicContact CZ3-CB 3.97Å; W634-V658 HydrophobicContact CZ3-CG2 3.82Å; W634-V658 PolarHBondContact O-N 3.39Å; L636-V658 PolarHBondContact N-O 3.16Å; F656-V658 HydrophobicContact CD2-CG2 4.48Å; V658-A668 WeakPolarHBondContact CA-O 3.3Å; V658-C669 HydrophobicContact CG2-CB 4.48Å; V658-I682 HydrophobicContact CG1-CD1 4.16Å; V658-I682 HydrophobicContact CG2-CD1 4.34Å; V658-V705 HydrophobicContact CG2-CG2 4.34Å
659R87.5Confident82.4Confident23 Ų2353.8 Ų53.89%0.08732%0.321CS..EExtended strand (participates in β ladder)trans-125.5161.6-178.666.5-171.3177.275.52.8112.4L636 I639 L657 Y667 A668 S670 H679L636-R659 VanDerWaalsContact O-CA 3.29Å; L636-R659 WeakPolarHBondContact O-CA 3.15Å; I639-R659 WeakPolarHBondContact O-CD 3.45Å; L657-R659 HydrophobicContact CD1-CB 4.13Å; L657-R659 HydrophobicContact CD1-CG 4.38Å; R659-Y667 CarbonylContact O-C 3.58Å; R659-A668 HydrophobicContact CG-CB 4Å; R659-A668 WeakPolarHBondContact CG-O 3.31Å; R659-A668 PolarHBondContact N-O 2.84Å; R659-A668 PolarHBondContact O-N 3.21Å; R659-S670 PolarHBondContact NE-OG 2.94Å; R659-S670 VanDerWaalsContact NE-OG 3.15Å; R659-H679 PolarHBondContact NH2-ND1 3.11Å
660D85.1Confident82.6Confident50 Ų5046.5 Ų46.527%0.26729%0.287SS..EExtended strand (participates in β ladder)trans-66.1134.2171.6-67.1-35.6000110.2G637 N638 Y667G637-D660 VanDerWaalsContact C-OD2 3.29Å; G637-D660 PolarHBondContact O-N 2.65Å; G637-D660 VanDerWaalsContact O-N 3.16Å; N638-D660 PolarHBondContact N-OD2 3.46Å; N638-D660 PolarHBondContact OD1-OD2 3.19Å; D660-Y667 WeakPolarHBondContact OD1-CD1 3.46Å; D660-Y667 WeakPolarHBondContact OD1-CE1 3.38Å
661S80.3Confident83.1Confident26 Ų2642.6 Ų42.618%0.18225%0.247CC..  trans-81155.7177.3-167.70000110.5K663 C666S661-K663 PolarHBondContact O-N 2.98Å; S661-C666 WeakPolarHBondContact CB-O 3.38Å; S661-C666 PolarHBondContact N-O 3.26Å
662S75.4Confident83.3Confident128 Ų12837.8 Ų37.890%0.89523%0.226SC*.SBendtrans-66.6-13.4169.850.90000112.9
663K74.4Confident83.4Confident133 Ų13332.5 Ų32.558%0.57821%0.206SC*.SBendtrans-87.6123.9171.3-64.2-176.6-178.4-179.50109.9S661 G665 C666S661-K663 PolarHBondContact O-N 2.98Å; K663-G665 PolarHBondContact O-N 3.48Å; K663-C666 HydrophobicContact CB-CB 4.18Å; K663-C666 PolarHBondContact O-N 3.36Å; K663-C666 VanDerWaalsContact O-N 3.14Å
664A68.9Low83.3Confident108 Ų10836.3 Ų36.389%0.89322%0.222SC*.THydrogen-bonded Turntrans-55.6124.7179.200000111.2
665G69.3Low83.1Confident53 Ų5339.1 Ų39.155%0.54625%0.25SS..THydrogen-bonded Turntrans82.95.5178.200000116K663 K684K663-G665 PolarHBondContact O-N 3.48Å; G665-K684 WeakPolarHBondContact O-CB 3.44Å
666C81.4Confident82.9Confident27 Ų2745.1 Ų45.118%0.18228%0.278CS..  trans-113.7155.2175.1-61.10000111.6S661 K663 V681S661-C666 WeakPolarHBondContact CB-O 3.38Å; S661-C666 PolarHBondContact N-O 3.26Å; K663-C666 HydrophobicContact CB-CB 4.18Å; K663-C666 PolarHBondContact O-N 3.36Å; K663-C666 VanDerWaalsContact O-N 3.14Å; C666-V681 HydrophobicContact CB-CG1 4.13Å
667Y86.6Confident82.7Confident36 Ų3646.5 Ų46.514%0.14129%0.286CS..EExtended strand (participates in β ladder)trans-109162.4172.7-62.4-84.3000110.2R659 D660 V681 I682 Y689 L701R659-Y667 CarbonylContact O-C 3.58Å; D660-Y667 WeakPolarHBondContact OD1-CD1 3.46Å; D660-Y667 WeakPolarHBondContact OD1-CE1 3.38Å; Y667-V681 CarbonylContact O-C 3.59Å; Y667-V681 WeakPolarHBondContact O-CA 3.48Å; Y667-I682 PolarHBondContact N-O 3.41Å; Y667-I682 PolarHBondContact O-N 2.93Å; Y667-Y689 HydrophobicContact CD2-CD1 4.36Å; Y667-Y689 HydrophobicContact CD2-CE1 4.11Å; Y667-Y689 HydrophobicContact CE2-CD1 4.48Å; Y667-Y689 AromaticContact CE2-CE1 3.78Å; Y667-Y689 HydrophobicContact CE2-CE1 3.78Å; Y667-L701 HydrophobicContact CD1-CD1 3.99Å; Y667-L701 HydrophobicContact CD2-CD1 3.86Å; Y667-L701 HydrophobicContact CD2-CD2 4.04Å; Y667-L701 HydrophobicContact CD2-CG 4.41Å; Y667-L701 HydrophobicContact CE1-CD1 3.99Å; Y667-L701 HydrophobicContact CE2-CD1 3.88Å; Y667-L701 HydrophobicContact CG-CD1 3.93Å; Y667-L701 HydrophobicContact CG-CD2 4.31Å
668A86.5Confident82.5Confident3 Ų349 Ų493%0.02530%0.297CS..EExtended strand (participates in β ladder)trans-126.7123.3173.200000109.8V658 R659 C680V658-A668 WeakPolarHBondContact CA-O 3.3Å; R659-A668 HydrophobicContact CG-CB 4Å; R659-A668 WeakPolarHBondContact CG-O 3.31Å; R659-A668 PolarHBondContact N-O 2.84Å; R659-A668 PolarHBondContact O-N 3.21Å; A668-C680 CarbonylContact C-O 3.52Å; A668-C680 VanDerWaalsContact CA-O 3.24Å; A668-C680 WeakPolarHBondContact CA-O 3.33Å
669C87.4Confident82.4Confident0 Ų051.2 Ų51.20%031%0.307CS..EExtended strand (participates in β ladder)trans-88124.2169.4-174.20000109.1V658 H679 C680 I682 F691V658-C669 HydrophobicContact CG2-CB 4.48Å; C669-H679 CarbonylContact O-C 3.59Å; C669-H679 WeakPolarHBondContact O-CA 3.47Å; C669-C680 HydrophobicContact CB-CB 4.43Å; C669-C680 PolarHBondContact N-O 2.86Å; C669-C680 PolarHBondContact O-N 2.93Å; C669-I682 HydrophobicContact CB-CD1 3.95Å; C669-I682 HydrophobicContact CB-CG1 4.33Å; C669-F691 HydrophobicContact CB-CE1 3.79Å; C669-F691 HydrophobicContact CB-CZ 4.14Å
670S88.6Confident82.3Confident0 Ų051 Ų510%031%0.309CS..EExtended strand (participates in β ladder)trans-108.1124.1173.4-43.30000107.8L648 F656 L657 R659 K678 H679L648-S670 WeakPolarHBondContact CD1-O 3.49Å; F656-S670 CarbonylContact C-O 3.45Å; F656-S670 VanDerWaalsContact CA-O 3.26Å; F656-S670 WeakPolarHBondContact CA-O 3.24Å; L657-S670 PolarHBondContact N-O 3.36Å; L657-S670 PolarHBondContact O-N 2.82Å; R659-S670 PolarHBondContact NE-OG 2.94Å; R659-S670 VanDerWaalsContact NE-OG 3.15Å; S670-K678 CarbonylContact C-O 3.59Å; S670-K678 WeakPolarHBondContact CA-O 3.36Å; S670-H679 PolarHBondContact OG-ND1 3.13Å; S670-H679 VanDerWaalsContact OG-ND1 3.15Å
671V88.9Confident82.2Confident0 Ų051.2 Ų51.20%031%0.312CS..EExtended strand (participates in β ladder)trans-136.6144.5-174.959.40000111.1T655 F656 V673 K678 L713 L720 V722 L724T655-V671 WeakPolarHBondContact O-CA 3.28Å; F656-V671 HydrophobicContact CB-CB 4.05Å; F656-V671 HydrophobicContact CB-CG2 4.08Å; V671-V673 HydrophobicContact CG1-CG2 4.29Å; V671-K678 PolarHBondContact N-O 2.78Å; V671-K678 PolarHBondContact O-N 2.75Å; V671-L713 HydrophobicContact CG1-CD1 4.34Å; V671-L720 HydrophobicContact CG1-CD2 4.45Å; V671-V722 HydrophobicContact CG1-CG2 4.41Å; V671-V722 HydrophobicContact CG2-CG2 3.71Å; V671-L724 HydrophobicContact CB-CD2 4.43Å; V671-L724 HydrophobicContact CG2-CD2 4.3Å
672V88.2Confident82.5Confident2 Ų250 Ų501%0.01230%0.304CS..EExtended strand (participates in β ladder)trans-84.5125.6174.8-173.70000110.4L648 K651 G654 T655 E676 V677L648-V672 HydrophobicContact CB-CG2 3.8Å; L648-V672 HydrophobicContact CD2-CG2 4.25Å; L648-V672 HydrophobicContact CG-CG2 4.42Å; K651-V672 HydrophobicContact CB-CG2 4.39Å; G654-V672 PolarHBondContact N-O 2.92Å; T655-V672 PolarHBondContact O-N 3.19Å; V672-E676 WeakPolarHBondContact CA-O 3.36Å; V672-V677 HydrophobicContact CG2-CG2 4.31Å
673V84.5Confident82.8Confident3 Ų346.6 Ų46.62%0.01828%0.275CS..EExtended strand (participates in β ladder)trans-131.5117.8178.3-179.90000108.4V671 G675 E676 K678 L720 V722V671-V673 HydrophobicContact CG1-CG2 4.29Å; V673-G675 PolarHBondContact O-N 2.7Å; V673-E676 PolarHBondContact N-O 2.77Å; V673-E676 PolarHBondContact O-N 3.41Å; V673-K678 HydrophobicContact CB-CD 4.01Å; V673-K678 HydrophobicContact CG1-CD 4.38Å; V673-K678 HydrophobicContact CG2-CD 4.08Å; V673-L720 HydrophobicContact CG2-CD2 4.03Å; V673-V722 HydrophobicContact CB-CG1 4.16Å; V673-V722 HydrophobicContact CG1-CG1 4.03Å; V673-V722 HydrophobicContact CG2-CB 4.29Å; V673-V722 HydrophobicContact CG2-CG1 3.83Å; V673-V722 HydrophobicContact CG2-CG2 3.47Å; V673-V722 VanDerWaalsContact CG2-CG2 3.47Å
674E80.4Confident83.1Confident159 Ų15945.9 Ų45.974%0.74327%0.272SS*.THydrogen-bonded Turntrans52.239.1178.5-58.8179.9160.500112.8D653 E676D653-E674 PolarHBondContact OD1-N 2.78Å; D653-E674 WeakPolarHBondContact OD2-CA 3.21Å; D653-E674 PolarHBondContact OD2-N 2.9Å; E674-E676 VanDerWaalsContact C-N 3.29Å; E674-E676 PolarHBondContact O-N 2.99Å
675G76.4Confident83.6Confident61 Ų6142.3 Ų42.363%0.62924%0.239SC*.THydrogen-bonded Turntrans78.7-3.8-177.800000116.3D653 V673D653-G675 PolarHBondContact OD1-N 3.15Å; V673-G675 PolarHBondContact O-N 2.7Å
676E83.2Confident83.8Confident134 Ų13446.9 Ų46.963%0.62626%0.259SS*.EExtended strand (participates in β ladder)trans-106.5145.5174.7-65.6-167.6160.700112.3V672 V673 E674V672-E676 WeakPolarHBondContact CA-O 3.36Å; V673-E676 PolarHBondContact N-O 2.77Å; V673-E676 PolarHBondContact O-N 3.41Å; E674-E676 VanDerWaalsContact C-N 3.29Å; E674-E676 PolarHBondContact O-N 2.99Å
677V86Confident83.3Confident29 Ų2949.5 Ų49.518%0.17628%0.278CS..EExtended strand (participates in β ladder)trans-90.2116.4178.8-177.20000110.2E645 L648 V672E645-V677 HydrophobicContact CG-CB 4.02Å; E645-V677 HydrophobicContact CG-CG1 3.95Å; L648-V677 HydrophobicContact CB-CG1 4.34Å; L648-V677 HydrophobicContact CB-CG2 3.7Å; L648-V677 HydrophobicContact CD1-CG1 3.78Å; V672-V677 HydrophobicContact CG2-CG2 4.31Å
678K85.3Confident83Confident54 Ų5448.2 Ų48.224%0.23528%0.275CS..EExtended strand (participates in β ladder)trans-105.4148.4176.3-68.2179.3177.8156.80111S670 V671 V673 S719 L720S670-K678 CarbonylContact C-O 3.59Å; S670-K678 WeakPolarHBondContact CA-O 3.36Å; V671-K678 PolarHBondContact N-O 2.78Å; V671-K678 PolarHBondContact O-N 2.75Å; V673-K678 HydrophobicContact CB-CD 4.01Å; V673-K678 HydrophobicContact CG1-CD 4.38Å; V673-K678 HydrophobicContact CG2-CD 4.08Å; K678-S719 PolarHBondContact NZ-O 2.82Å; K678-L720 HydrophobicContact CB-CD2 3.64Å; K678-L720 HydrophobicContact CD-CD2 3.6Å; K678-L720 HydrophobicContact CG-CD2 4.23Å
679H86.4Confident82.8Confident46 Ų4649.9 Ų49.921%0.21328%0.281CS..EExtended strand (participates in β ladder)trans-122.4126.9-175.4-58.1-100.5000110.6R641 E645 R659 C669 S670R641-H679 VanDerWaalsContact CG-CE1 3.42Å; R641-H679 WeakPolarHBondContact CG-CE1 3.32Å; R641-H679 PolarHBondContact NE-CD2 2.94Å; E645-H679 WeakPolarHBondContact CG-NE2 3.44Å; E645-H679 IonicContact OE1-CD2 3.34Å; E645-H679 IonicContact OE1-CE1 2.88Å; E645-H679 IonicContact OE1-NE2 3.24Å; E645-H679 PolarHBondContact OE1-NE2 3.13Å; R659-H679 PolarHBondContact NH2-ND1 3.11Å; C669-H679 CarbonylContact O-C 3.59Å; C669-H679 WeakPolarHBondContact O-CA 3.47Å; S670-H679 PolarHBondContact OG-ND1 3.13Å; S670-H679 VanDerWaalsContact OG-ND1 3.15Å
680C84.4Confident82.5Confident18 Ų1849.9 Ų49.912%0.12228%0.281CS..EExtended strand (participates in β ladder)trans-120.7136.7-178.5-50.40000109.6A668 C669 F691 L720A668-C680 CarbonylContact C-O 3.52Å; A668-C680 VanDerWaalsContact CA-O 3.24Å; A668-C680 WeakPolarHBondContact CA-O 3.33Å; C669-C680 HydrophobicContact CB-CB 4.43Å; C669-C680 PolarHBondContact N-O 2.86Å; C669-C680 PolarHBondContact O-N 2.93Å; C680-F691 HydrophobicContact CB-CD1 3.85Å; C680-F691 HydrophobicContact CB-CE1 3.79Å; C680-L720 WeakPolarHBondContact SG-CD1 3.42Å
681V84.6Confident82.1Confident56 Ų5650.9 Ų50.934%0.33929%0.286SS..EExtended strand (participates in β ladder)trans-85.6130.5176.4-178.10000109C666 Y667C666-V681 HydrophobicContact CB-CG1 4.13Å; Y667-V681 CarbonylContact O-C 3.59Å; Y667-V681 WeakPolarHBondContact O-CA 3.48Å
682I85.9Confident81.4Confident0 Ų052.7 Ų52.70%030%0.301CS..EExtended strand (participates in β ladder)trans-99.8116.6169-59.8167.2000107.1V658 Y667 C669 Y689 G690 F691 L701 L704V658-I682 HydrophobicContact CG1-CD1 4.16Å; V658-I682 HydrophobicContact CG2-CD1 4.34Å; Y667-I682 PolarHBondContact N-O 3.41Å; Y667-I682 PolarHBondContact O-N 2.93Å; C669-I682 HydrophobicContact CB-CD1 3.95Å; C669-I682 HydrophobicContact CB-CG1 4.33Å; I682-Y689 HydrophobicContact CG2-CD1 4.39Å; I682-G690 CarbonylContact C-O 3.6Å; I682-G690 WeakPolarHBondContact CA-O 3.36Å; I682-F691 HydrophobicContact CD1-CE1 4.01Å; I682-F691 HydrophobicContact CD1-CZ 4.19Å; I682-F691 HydrophobicContact CG1-CD1 3.79Å; I682-F691 HydrophobicContact CG1-CE1 3.38Å; I682-F691 HydrophobicContact CG1-CZ 3.96Å; I682-L701 HydrophobicContact CD1-CD2 4.21Å; I682-L701 HydrophobicContact CG2-CD2 3.88Å; I682-L704 HydrophobicContact CD1-CD2 4.19Å; I682-L704 HydrophobicContact CG2-CD1 3.96Å
683N82.4Confident80Confident56 Ų5660.1 Ų60.130%0.29934%0.335SS..EExtended strand (participates in β ladder)trans-83.2139.1178.3-62.2-44.4000109.8Y689 G690N683-Y689 WeakPolarHBondContact O-CA 3.2Å; N683-G690 PolarHBondContact N-O 3.46Å; N683-G690 PolarHBondContact O-N 3.4Å
684K80.3Confident78.8Confident119 Ų11964.7 Ų64.752%0.51737%0.365SS..EExtended strand (participates in β ladder)trans-100.2112.6169.5-174.5179.9-179.9177.40108.3G665 Y689G665-K684 WeakPolarHBondContact O-CB 3.44Å; K684-Y689 HydrophobicContact CB-CD1 4.26Å; K684-Y689 HydrophobicContact CB-CE1 4.01Å; K684-Y689 HydrophobicContact CD-CE1 3.94Å; K684-Y689 WeakPolarHBondContact CE-OH 3.45Å; K684-Y689 HydrophobicContact CG-CD1 4.28Å; K684-Y689 HydrophobicContact CG-CE1 3.69Å
685T78.3Confident77.9Confident33 Ų3362.8 Ų62.820%0.20235%0.352CS..EExtended strand (participates in β ladder)trans-117.5165.5177.662.80000110.3S687 G688 N696T685-S687 PolarHBondContact O-N 2.96Å; T685-S687 PolarHBondContact OG1-OG 3.07Å; T685-G688 PolarHBondContact N-O 2.86Å; T685-G688 PolarHBondContact O-N 3.35Å; T685-G688 VanDerWaalsContact O-N 3.13Å; T685-G688 PolarHBondContact OG1-O 3.3Å; T685-N696 HydrophobicContact CG2-CB 4.44Å; T685-N696 WeakPolarHBondContact CG2-ND2 3.44Å; T685-N696 WeakPolarHBondContact OG1-CB 3.4Å
686P74.1Confident77.5Confident148 Ų14860.1 Ų60.196%0.96132%0.323SS*.THydrogen-bonded Turntrans-59.8-24.3174.7-23.334.3000113.8
687S70.8Confident76.8Confident83 Ų8359.7 Ų59.758%0.5832%0.324SS*.THydrogen-bonded Turntrans-83.7-14.4177.662.40000114T685 N696T685-S687 PolarHBondContact O-N 2.96Å; T685-S687 PolarHBondContact OG1-OG 3.07Å; S687-N696 CarbonylContact C-O 3.6Å; S687-N696 VanDerWaalsContact C-O 3.27Å; S687-N696 PolarHBondContact OG-O 3.11Å
688G80.6Confident76.5Confident8 Ų859.9 Ų59.98%0.08232%0.322CS..EExtended strand (participates in β ladder)trans141.5-167.7-177.300000114.2T685 N696 Y698T685-G688 PolarHBondContact N-O 2.86Å; T685-G688 PolarHBondContact O-N 3.35Å; T685-G688 VanDerWaalsContact O-N 3.13Å; T685-G688 PolarHBondContact OG1-O 3.3Å; G688-N696 PolarHBondContact N-O 3.19Å; G688-Y698 CarbonylContact C-O 3.54Å; G688-Y698 WeakPolarHBondContact CA-O 3.42Å
689Y82.4Confident76Confident39 Ų3960.1 Ų60.115%0.15334%0.34CS..EExtended strand (participates in β ladder)trans-97145.6175.3-60.9-88.5000110.7Y667 I682 N683 K684 Y698 L701Y667-Y689 HydrophobicContact CD2-CD1 4.36Å; Y667-Y689 HydrophobicContact CD2-CE1 4.11Å; Y667-Y689 HydrophobicContact CE2-CD1 4.48Å; Y667-Y689 AromaticContact CE2-CE1 3.78Å; Y667-Y689 HydrophobicContact CE2-CE1 3.78Å; I682-Y689 HydrophobicContact CG2-CD1 4.39Å; N683-Y689 WeakPolarHBondContact O-CA 3.2Å; K684-Y689 HydrophobicContact CB-CD1 4.26Å; K684-Y689 HydrophobicContact CB-CE1 4.01Å; K684-Y689 HydrophobicContact CD-CE1 3.94Å; K684-Y689 WeakPolarHBondContact CE-OH 3.45Å; K684-Y689 HydrophobicContact CG-CD1 4.28Å; K684-Y689 HydrophobicContact CG-CE1 3.69Å; Y689-Y698 PolarHBondContact N-O 3.28Å; Y689-Y698 WeakPolarHBondContact O-CD2 3.29Å; Y689-Y698 PolarHBondContact O-N 2.72Å; Y689-L701 HydrophobicContact CD1-CD2 3.56Å; Y689-L701 HydrophobicContact CD1-CG 3.91Å; Y689-L701 HydrophobicContact CE1-CD2 4.11Å; Y689-L701 HydrophobicContact CE1-CG 4.01Å; Y689-L701 HydrophobicContact CG-CD2 3.96Å; Y689-L701 HydrophobicContact CG-CG 4.26Å
690G81.8Confident75.9Confident0 Ų059.5 Ų59.50%034%0.341CS..EExtended strand (participates in β ladder)trans-174.1168.117600000113.6I682 N683 N696I682-G690 CarbonylContact C-O 3.6Å; I682-G690 WeakPolarHBondContact CA-O 3.36Å; N683-G690 PolarHBondContact N-O 3.46Å; N683-G690 PolarHBondContact O-N 3.4Å; G690-N696 WeakPolarHBondContact CA-OD1 3.42Å
691F79.4Confident75.8Confident21 Ų2159.1 Ų59.19%0.09234%0.337CS..SBendtrans-85.5-28.4179.3-68.2-72.4000113.2C669 C680 I682 L704 Y708 L713 H716C669-F691 HydrophobicContact CB-CE1 3.79Å; C669-F691 HydrophobicContact CB-CZ 4.14Å; C680-F691 HydrophobicContact CB-CD1 3.85Å; C680-F691 HydrophobicContact CB-CE1 3.79Å; I682-F691 HydrophobicContact CD1-CE1 4.01Å; I682-F691 HydrophobicContact CD1-CZ 4.19Å; I682-F691 HydrophobicContact CG1-CD1 3.79Å; I682-F691 HydrophobicContact CG1-CE1 3.38Å; I682-F691 HydrophobicContact CG1-CZ 3.96Å; F691-L704 HydrophobicContact CE2-CD2 3.72Å; F691-L704 HydrophobicContact CE2-CG 4.4Å; F691-L704 HydrophobicContact CZ-CD2 3.9Å; F691-Y708 HydrophobicContact CD2-CD2 4.18Å; F691-Y708 HydrophobicContact CD2-CE1 4.5Å; F691-Y708 AromaticContact CD2-CE2 3.82Å; F691-Y708 HydrophobicContact CD2-CE2 3.82Å; F691-Y708 AromaticContact CE2-CD2 3.64Å; F691-Y708 HydrophobicContact CE2-CD2 3.64Å; F691-Y708 AromaticContact CE2-CE2 3.77Å; F691-Y708 HydrophobicContact CE2-CE2 3.77Å; F691-Y708 HydrophobicContact CE2-CG 4.09Å; F691-L713 HydrophobicContact CD2-CD2 3.85Å; F691-L713 HydrophobicContact CE2-CD2 3.39Å; F691-L713 HydrophobicContact CZ-CD2 3.83Å; F691-H716 HydrophobicContact CB-CB 4.34Å
692A73.1Confident75.6Confident38 Ų3859.3 Ų59.331%0.31433%0.334SS..SBendtrans-156.3150177.300000111.4Y695A692-Y695 WeakPolarHBondContact O-CA 3.49Å; A692-Y695 PolarHBondContact O-N 3.13Å
693E59.1Low75.3Confident157 Ų15764 Ų6473%0.73436%0.356SS*.THydrogen-bonded Turntrans-69.7136.1167.4-75.2179.9174.900109.5N696E693-N696 WeakPolarHBondContact CG-ND2 3.26Å
694P60.3Low75.4Confident100 Ų10061.3 Ų61.365%0.64934%0.341SS*.THydrogen-bonded Turncis-92.410.91235.7-35.9000116.3N696P694-N696 VanDerWaalsContact C-N 3.31Å; P694-N696 PolarHBondContact O-N 3.14Å
695Y61.1Low75.5Confident119 Ų11955.7 Ų55.747%0.46732%0.317SS..  trans-88.525.9-171.2-56.5-80.6000115A692 L697 H716A692-Y695 WeakPolarHBondContact O-CA 3.49Å; A692-Y695 PolarHBondContact O-N 3.13Å; Y695-L697 PolarHBondContact O-N 2.97Å; Y695-L697 VanDerWaalsContact O-N 3.08Å; Y695-H716 AromaticContact CD2-CE1 3.87Å
696N67.4Low75.6Confident4 Ų455.9 Ų55.92%0.02132%0.316CS..  trans-86.157.9176.7-60.8-32.5000111.4T685 S687 G688 G690 E693 P694T685-N696 HydrophobicContact CG2-CB 4.44Å; T685-N696 WeakPolarHBondContact CG2-ND2 3.44Å; T685-N696 WeakPolarHBondContact OG1-CB 3.4Å; S687-N696 CarbonylContact C-O 3.6Å; S687-N696 VanDerWaalsContact C-O 3.27Å; S687-N696 PolarHBondContact OG-O 3.11Å; G688-N696 PolarHBondContact N-O 3.19Å; G690-N696 WeakPolarHBondContact CA-OD1 3.42Å; E693-N696 WeakPolarHBondContact CG-ND2 3.26Å; P694-N696 VanDerWaalsContact C-N 3.31Å; P694-N696 PolarHBondContact O-N 3.14Å
697L70.3Confident75.9Confident125 Ų12552.2 Ų52.265%0.65429%0.286SS*.  trans-103.8-6.1-166.6-64.6166.2000114.1Y695Y695-L697 PolarHBondContact O-N 2.97Å; Y695-L697 VanDerWaalsContact O-N 3.08Å
698Y78.9Confident76.2Confident34 Ų3448.4 Ų48.413%0.13326%0.259CS..BIsolated β-bridgetrans-92130-172.4-54.6-76.7000111.4G688 Y689 S700 E703 L704 H707 Y708G688-Y698 CarbonylContact C-O 3.54Å; G688-Y698 WeakPolarHBondContact CA-O 3.42Å; Y689-Y698 PolarHBondContact N-O 3.28Å; Y689-Y698 WeakPolarHBondContact O-CD2 3.29Å; Y689-Y698 PolarHBondContact O-N 2.72Å; Y698-S700 VanDerWaalsContact C-N 3.28Å; Y698-S700 PolarHBondContact O-N 2.97Å; Y698-E703 HydrophobicContact CD1-CB 4.42Å; Y698-L704 HydrophobicContact CD2-CB 3.98Å; Y698-L704 HydrophobicContact CD2-CD1 4.06Å; Y698-L704 HydrophobicContact CD2-CG 4.03Å; Y698-L704 HydrophobicContact CG-CB 3.95Å; Y698-H707 HydrophobicContact CD1-CB 4.38Å; Y698-H707 HydrophobicContact CE1-CB 3.59Å; Y698-H707 AromaticContact CE1-CD2 3.72Å; Y698-H707 AromaticContact CE1-CG 3.57Å; Y698-H707 AromaticContact CZ-CD2 3.91Å; Y698-H707 AromaticContact CZ-CG 3.6Å; Y698-H707 AromaticContact CZ-ND1 3.77Å; Y698-H707 PolarHBondContact OH-CD2 3.43Å; Y698-H707 VanDerWaalsContact OH-CD2 3.31Å; Y698-H707 PolarHBondContact OH-CE1 3.07Å; Y698-H707 PolarHBondContact OH-ND1 3.21Å; Y698-H707 PolarHBondContact OH-NE2 2.81Å; Y698-Y708 AromaticContact CE2-CE2 3.78Å; Y698-Y708 HydrophobicContact CE2-CE2 3.78Å
699G75.4Confident76.1Confident58 Ų5848.7 Ų48.760%0.59826%0.259SS*.SBendtrans-71.3-22.8-177.400000113.4E703G699-E703 WeakPolarHBondContact CA-OE2 3.08Å; G699-E703 PolarHBondContact N-OE2 3.03Å
700S83.9Confident75.4Confident34 Ų3453.1 Ų53.124%0.23828%0.28CS..SBendtrans-140.8159.9176.269.10000113Y698 K702 E703 L704Y698-S700 VanDerWaalsContact C-N 3.28Å; Y698-S700 PolarHBondContact O-N 2.97Å; S700-K702 PolarHBondContact O-N 2.96Å; S700-E703 PolarHBondContact N-OE2 2.75Å; S700-E703 PolarHBondContact O-N 3.09Å; S700-E703 WeakPolarHBondContact OG-CG 3.44Å; S700-E703 PolarHBondContact OG-N 3.31Å; S700-E703 VanDerWaalsContact OG-N 3.13Å; S700-L704 PolarHBondContact O-N 2.97Å
701L81.3Confident75.2Confident9 Ų954.6 Ų54.65%0.04729%0.289CS..Hα-helixtrans-60.5-32170.5-72.3173.7000111.8W634 Y667 I682 Y689 L704 V705W634-L701 HydrophobicContact CH2-CB 4.1Å; W634-L701 HydrophobicContact CZ3-CB 4.43Å; Y667-L701 HydrophobicContact CD1-CD1 3.99Å; Y667-L701 HydrophobicContact CD2-CD1 3.86Å; Y667-L701 HydrophobicContact CD2-CD2 4.04Å; Y667-L701 HydrophobicContact CD2-CG 4.41Å; Y667-L701 HydrophobicContact CE1-CD1 3.99Å; Y667-L701 HydrophobicContact CE2-CD1 3.88Å; Y667-L701 HydrophobicContact CG-CD1 3.93Å; Y667-L701 HydrophobicContact CG-CD2 4.31Å; I682-L701 HydrophobicContact CD1-CD2 4.21Å; I682-L701 HydrophobicContact CG2-CD2 3.88Å; Y689-L701 HydrophobicContact CD1-CD2 3.56Å; Y689-L701 HydrophobicContact CD1-CG 3.91Å; Y689-L701 HydrophobicContact CE1-CD2 4.11Å; Y689-L701 HydrophobicContact CE1-CG 4.01Å; Y689-L701 HydrophobicContact CG-CD2 3.96Å; Y689-L701 HydrophobicContact CG-CG 4.26Å; L701-L704 PolarHBondContact O-N 2.82Å; L701-V705 WeakPolarHBondContact O-CG2 3.48Å; L701-V705 PolarHBondContact O-N 3.02Å
702K81.9Confident75.1Confident60 Ų6054.9 Ų54.926%0.26129%0.294SS..Hα-helixtrans-64.2-47.3177.5-177.9-179.7174.5173.10111.3H629 W634 S700 L704 V705 L706H629-K702 WeakPolarHBondContact ND1-CE 3.28Å; H629-K702 PolarHBondContact ND1-NZ 3.35Å; H629-K702 PolarHBondContact O-NZ 3.38Å; W634-K702 HydrophobicContact CZ2-CB 4.31Å; S700-K702 PolarHBondContact O-N 2.96Å; K702-L704 VanDerWaalsContact C-N 3.31Å; K702-L704 PolarHBondContact O-N 3.47Å; K702-V705 PolarHBondContact O-N 3.33Å; K702-L706 HydrophobicContact CG-CD1 4.11Å; K702-L706 WeakPolarHBondContact O-CG 3.29Å; K702-L706 PolarHBondContact O-N 3.15Å
703E79.5Confident75.3Confident99 Ų9953.1 Ų53.146%0.46328%0.279SS..Hα-helixtrans-61.4-40.1176.3-76.8164.8-159.200112.1Y698 G699 S700 L706 H707Y698-E703 HydrophobicContact CD1-CB 4.42Å; G699-E703 WeakPolarHBondContact CA-OE2 3.08Å; G699-E703 PolarHBondContact N-OE2 3.03Å; S700-E703 PolarHBondContact N-OE2 2.75Å; S700-E703 PolarHBondContact O-N 3.09Å; S700-E703 WeakPolarHBondContact OG-CG 3.44Å; S700-E703 PolarHBondContact OG-N 3.31Å; S700-E703 VanDerWaalsContact OG-N 3.13Å; E703-L706 PolarHBondContact O-N 3.39Å; E703-H707 WeakPolarHBondContact O-CB 3.25Å; E703-H707 PolarHBondContact O-N 3.15Å
704L83.6Confident76.1Confident0 Ų048 Ų480%026%0.258CS..Hα-helixtrans-60-48.1174.6-178.1152.8000110.8I682 F691 Y698 S700 L701 K702 H707 Y708I682-L704 HydrophobicContact CD1-CD2 4.19Å; I682-L704 HydrophobicContact CG2-CD1 3.96Å; F691-L704 HydrophobicContact CE2-CD2 3.72Å; F691-L704 HydrophobicContact CE2-CG 4.4Å; F691-L704 HydrophobicContact CZ-CD2 3.9Å; Y698-L704 HydrophobicContact CD2-CB 3.98Å; Y698-L704 HydrophobicContact CD2-CD1 4.06Å; Y698-L704 HydrophobicContact CD2-CG 4.03Å; Y698-L704 HydrophobicContact CG-CB 3.95Å; S700-L704 PolarHBondContact O-N 2.97Å; L701-L704 PolarHBondContact O-N 2.82Å; K702-L704 VanDerWaalsContact C-N 3.31Å; K702-L704 PolarHBondContact O-N 3.47Å; L704-H707 PolarHBondContact O-N 3.15Å; L704-Y708 HydrophobicContact CD2-CD2 3.92Å; L704-Y708 HydrophobicContact CD2-CE2 4.4Å; L704-Y708 HydrophobicContact CG-CD2 3.91Å; L704-Y708 HydrophobicContact CG-CE2 3.99Å; L704-Y708 WeakPolarHBondContact O-CD2 3.48Å; L704-Y708 PolarHBondContact O-N 2.84Å
705V83.4Confident76.4Confident1 Ų149.3 Ų49.31%0.00626%0.256CS..Hα-helixtrans-62.7-44179.1168.20000111.9H628 W634 F656 V658 L701 K702 H707 Y708 Q709 L724H628-V705 HydrophobicContact CB-CG1 4.47Å; W634-V705 HydrophobicContact CD2-CG1 4.41Å; W634-V705 HydrophobicContact CD2-CG2 4.27Å; W634-V705 HydrophobicContact CE3-CG2 3.96Å; W634-V705 HydrophobicContact CH2-CB 4.42Å; W634-V705 HydrophobicContact CH2-CG2 3.86Å; W634-V705 HydrophobicContact CZ2-CB 4.3Å; W634-V705 HydrophobicContact CZ2-CG1 4.5Å; W634-V705 HydrophobicContact CZ2-CG2 4.16Å; W634-V705 HydrophobicContact CZ3-CG2 3.75Å; F656-V705 HydrophobicContact CE1-CG1 4.4Å; F656-V705 HydrophobicContact CE2-CG1 3.68Å; F656-V705 HydrophobicContact CE2-CG2 3.95Å; F656-V705 HydrophobicContact CZ-CG1 3.35Å; F656-V705 HydrophobicContact CZ-CG2 4.48Å; V658-V705 HydrophobicContact CG2-CG2 4.34Å; L701-V705 WeakPolarHBondContact O-CG2 3.48Å; L701-V705 PolarHBondContact O-N 3.02Å; K702-V705 PolarHBondContact O-N 3.33Å; V705-H707 VanDerWaalsContact C-N 3.26Å; V705-H707 PolarHBondContact O-N 2.93Å; V705-Y708 PolarHBondContact O-N 3.16Å; V705-Q709 PolarHBondContact O-N 3.24Å; V705-L724 HydrophobicContact CG2-CD1 4.22Å
706L79.2Confident76.8Confident36 Ų3646 Ų4619%0.18824%0.244CC..Hα-helixtrans-64.5-28.8176.8-71.6171.8000112.9H628 K702 E703 Q709H628-L706 HydrophobicContact CB-CD2 3.91Å; K702-L706 HydrophobicContact CG-CD1 4.11Å; K702-L706 WeakPolarHBondContact O-CG 3.29Å; K702-L706 PolarHBondContact O-N 3.15Å; E703-L706 PolarHBondContact O-N 3.39Å; L706-Q709 WeakPolarHBondContact O-CG 3.4Å; L706-Q709 PolarHBondContact O-NE2 3.07Å
707H79.7Confident76.9Confident72 Ų7249.5 Ų49.533%0.33326%0.263SS..Hα-helixtrans-75.3-46.1174.6-178.4-81.9000112.2Y698 E703 L704 V705 Q709 H710 T711Y698-H707 HydrophobicContact CD1-CB 4.38Å; Y698-H707 HydrophobicContact CE1-CB 3.59Å; Y698-H707 AromaticContact CE1-CD2 3.72Å; Y698-H707 AromaticContact CE1-CG 3.57Å; Y698-H707 AromaticContact CZ-CD2 3.91Å; Y698-H707 AromaticContact CZ-CG 3.6Å; Y698-H707 AromaticContact CZ-ND1 3.77Å; Y698-H707 PolarHBondContact OH-CD2 3.43Å; Y698-H707 VanDerWaalsContact OH-CD2 3.31Å; Y698-H707 PolarHBondContact OH-CE1 3.07Å; Y698-H707 PolarHBondContact OH-ND1 3.21Å; Y698-H707 PolarHBondContact OH-NE2 2.81Å; E703-H707 WeakPolarHBondContact O-CB 3.25Å; E703-H707 PolarHBondContact O-N 3.15Å; L704-H707 PolarHBondContact O-N 3.15Å; V705-H707 VanDerWaalsContact C-N 3.26Å; V705-H707 PolarHBondContact O-N 2.93Å; H707-Q709 PolarHBondContact O-N 3.25Å; H707-H710 PolarHBondContact O-N 3.14Å; H707-T711 PolarHBondContact CE1-OG1 2.81Å; H707-T711 VanDerWaalsContact CE1-OG1 3.24Å; H707-T711 WeakPolarHBondContact O-CB 3.42Å; H707-T711 PolarHBondContact O-N 3.15Å; H707-T711 PolarHBondContact O-OG1 3.16Å
708Y77.3Confident76.9Confident2 Ų250.3 Ų50.31%0.00827%0.268CS..Hα-helixtrans-80.91-179-69.7-74.6000114F691 Y698 L704 V705 H710 T711 L713 H716 T723 L724F691-Y708 HydrophobicContact CD2-CD2 4.18Å; F691-Y708 HydrophobicContact CD2-CE1 4.5Å; F691-Y708 AromaticContact CD2-CE2 3.82Å; F691-Y708 HydrophobicContact CD2-CE2 3.82Å; F691-Y708 AromaticContact CE2-CD2 3.64Å; F691-Y708 HydrophobicContact CE2-CD2 3.64Å; F691-Y708 AromaticContact CE2-CE2 3.77Å; F691-Y708 HydrophobicContact CE2-CE2 3.77Å; F691-Y708 HydrophobicContact CE2-CG 4.09Å; Y698-Y708 AromaticContact CE2-CE2 3.78Å; Y698-Y708 HydrophobicContact CE2-CE2 3.78Å; L704-Y708 HydrophobicContact CD2-CD2 3.92Å; L704-Y708 HydrophobicContact CD2-CE2 4.4Å; L704-Y708 HydrophobicContact CG-CD2 3.91Å; L704-Y708 HydrophobicContact CG-CE2 3.99Å; L704-Y708 WeakPolarHBondContact O-CD2 3.48Å; L704-Y708 PolarHBondContact O-N 2.84Å; V705-Y708 PolarHBondContact O-N 3.16Å; Y708-H710 VanDerWaalsContact C-N 3.31Å; Y708-T711 WeakPolarHBondContact CA-O 3.29Å; Y708-T711 HydrophobicContact CD1-CG2 4.49Å; Y708-T711 WeakPolarHBondContact CD1-O 3.15Å; Y708-T711 HydrophobicContact CE1-CG2 4.46Å; Y708-T711 VanDerWaalsContact O-O 3.14Å; Y708-L713 HydrophobicContact CD1-CD2 3.57Å; Y708-L713 HydrophobicContact CD1-CG 4.38Å; Y708-L713 HydrophobicContact CE1-CD2 4.09Å; Y708-L713 HydrophobicContact CG-CD2 3.88Å; Y708-H716 AromaticContact CE1-CD2 3.8Å; Y708-H716 AromaticContact CE1-NE2 3.5Å; Y708-H716 AromaticContact CZ-NE2 3.4Å; Y708-H716 PolarHBondContact OH-NE2 2.88Å; Y708-T723 WeakPolarHBondContact O-CB 3.47Å; Y708-L724 PolarHBondContact O-N 3.41Å
709Q78.6Confident76.3Confident15 Ų1551.9 Ų51.97%0.0728%0.284CS..THydrogen-bonded Turntrans-68.3-34.5163.986.9-168.9-35.300111.2D623 H628 V705 L706 H707 T723D623-Q709 PolarHBondContact OD1-NE2 3.12Å; H628-Q709 PolarHBondContact ND1-OE1 3.1Å; H628-Q709 VanDerWaalsContact ND1-OE1 3.12Å; V705-Q709 PolarHBondContact O-N 3.24Å; L706-Q709 WeakPolarHBondContact O-CG 3.4Å; L706-Q709 PolarHBondContact O-NE2 3.07Å; H707-Q709 PolarHBondContact O-N 3.25Å; Q709-T723 WeakPolarHBondContact O-CB 3.44Å
710H68.9Low76.2Confident132 Ų13249.5 Ų49.561%0.61126%0.258SS*.THydrogen-bonded Turntrans-101.7-23.4-179.2-61.9122.9000112.6D623 H707 Y708D623-H710 IonicContact OD1-CE1 3.49Å; H707-H710 PolarHBondContact O-N 3.14Å; Y708-H710 VanDerWaalsContact C-N 3.31Å
711T75.9Confident75.9Confident30 Ų3053.3 Ų53.318%0.18428%0.275CS..SBendtrans-106.2124.4-178-50.40000111.1H707 Y708H707-T711 PolarHBondContact CE1-OG1 2.81Å; H707-T711 VanDerWaalsContact CE1-OG1 3.24Å; H707-T711 WeakPolarHBondContact O-CB 3.42Å; H707-T711 PolarHBondContact O-N 3.15Å; H707-T711 PolarHBondContact O-OG1 3.16Å; Y708-T711 WeakPolarHBondContact CA-O 3.29Å; Y708-T711 HydrophobicContact CD1-CG2 4.49Å; Y708-T711 WeakPolarHBondContact CD1-O 3.15Å; Y708-T711 HydrophobicContact CE1-CG2 4.46Å; Y708-T711 VanDerWaalsContact O-O 3.14Å
712S78.4Confident75.7Confident27 Ų2753.7 Ų53.719%0.18928%0.278CS..  trans-64.2140178.41790000111.6V714 N721S712-V714 PolarHBondContact O-N 2.82Å; S712-V714 WeakPolarHBondContact OG-CG1 3.48Å; S712-V714 PolarHBondContact OG-N 3.43Å; S712-N721 PolarHBondContact OG-OD1 3.33Å
713L76.8Confident75.7Confident1 Ų152.9 Ų52.91%0.00528%0.279CS..G310 helixtrans-70.7-3.7176-69.6170000113.3V671 F691 Y708 Q715 H716 N717 L720 V722 L724V671-L713 HydrophobicContact CG1-CD1 4.34Å; F691-L713 HydrophobicContact CD2-CD2 3.85Å; F691-L713 HydrophobicContact CE2-CD2 3.39Å; F691-L713 HydrophobicContact CZ-CD2 3.83Å; Y708-L713 HydrophobicContact CD1-CD2 3.57Å; Y708-L713 HydrophobicContact CD1-CG 4.38Å; Y708-L713 HydrophobicContact CE1-CD2 4.09Å; Y708-L713 HydrophobicContact CG-CD2 3.88Å; L713-Q715 PolarHBondContact O-N 3.02Å; L713-Q715 VanDerWaalsContact O-N 3.1Å; L713-H716 PolarHBondContact O-N 3.12Å; L713-N717 PolarHBondContact O-N 3.24Å; L713-L720 CarbonylContact C-O 3.59Å; L713-L720 VanDerWaalsContact C-O 3.24Å; L713-L720 HydrophobicContact CB-CB 3.85Å; L713-L720 HydrophobicContact CB-CD1 4.38Å; L713-V722 PolarHBondContact N-O 3.49Å; L713-L724 HydrophobicContact CD1-CD2 3.85Å; L713-L724 HydrophobicContact CD1-CG 4.34Å
714V76.8Confident75.9Confident49 Ų4948.2 Ų48.230%0.29726%0.256SS..G310 helixtrans-54.5-30.3176.772.50000112.2S712 H716 N717 L720S712-V714 PolarHBondContact O-N 2.82Å; S712-V714 WeakPolarHBondContact OG-CG1 3.48Å; S712-V714 PolarHBondContact OG-N 3.43Å; V714-H716 PolarHBondContact O-N 2.93Å; V714-H716 VanDerWaalsContact O-N 3.14Å; V714-N717 WeakPolarHBondContact CA-O 3.35Å; V714-N717 CarbonylContact O-C 3.56Å; V714-N717 PolarHBondContact O-N 2.92Å; V714-L720 PolarHBondContact N-O 2.65Å
715Q66.7Low75.7Confident128 Ų12849.4 Ų49.460%0.59827%0.266SS*.G310 helixtrans-62-22178.8-63.2-177.9-6.200113.5L713L713-Q715 PolarHBondContact O-N 3.02Å; L713-Q715 VanDerWaalsContact O-N 3.1Å
716H69.2Low75.7Confident49 Ų4953.4 Ų53.423%0.22728%0.282CS..THydrogen-bonded Turntrans-105.4-25.2179.7-61.5-69.8000113F691 Y695 Y708 L713 V714F691-H716 HydrophobicContact CB-CB 4.34Å; Y695-H716 AromaticContact CD2-CE1 3.87Å; Y708-H716 AromaticContact CE1-CD2 3.8Å; Y708-H716 AromaticContact CE1-NE2 3.5Å; Y708-H716 AromaticContact CZ-NE2 3.4Å; Y708-H716 PolarHBondContact OH-NE2 2.88Å; L713-H716 PolarHBondContact O-N 3.12Å; V714-H716 PolarHBondContact O-N 2.93Å; V714-H716 VanDerWaalsContact O-N 3.14Å
717N69.8Low76Confident78 Ų7852 Ų5242%0.41728%0.275SS..  trans-158.7120.6176.3-174.8-21.4000109.2L713 V714 S719 L720L713-N717 PolarHBondContact O-N 3.24Å; V714-N717 WeakPolarHBondContact CA-O 3.35Å; V714-N717 CarbonylContact O-C 3.56Å; V714-N717 PolarHBondContact O-N 2.92Å; N717-S719 PolarHBondContact O-N 3.44Å; N717-S719 VanDerWaalsContact OD1-CB 3.3Å; N717-S719 WeakPolarHBondContact OD1-CB 3.32Å; N717-S719 PolarHBondContact OD1-N 3Å; N717-S719 PolarHBondContact OD1-OG 2.97Å; N717-L720 HydrophobicContact CB-CB 4.41Å; N717-L720 HydrophobicContact CB-CD1 3.73Å; N717-L720 HydrophobicContact CB-CG 3.94Å; N717-L720 WeakPolarHBondContact O-CB 3.06Å; N717-L720 PolarHBondContact O-N 2.98Å
718D69.5Low76Confident143 Ų14349.3 Ų49.377%0.76526%0.264SS*.THydrogen-bonded Turntrans-56.3-22-179.9-63-34000113.1L720D718-L720 VanDerWaalsContact C-N 3.29Å; D718-L720 PolarHBondContact O-N 3.11Å
719S67.6Low76.1Confident67 Ų6755.6 Ų55.647%0.46929%0.288SS..THydrogen-bonded Turntrans-80.3-0.9175.8-56.70000114.3K678 N717K678-S719 PolarHBondContact NZ-O 2.82Å; N717-S719 PolarHBondContact O-N 3.44Å; N717-S719 VanDerWaalsContact OD1-CB 3.3Å; N717-S719 WeakPolarHBondContact OD1-CB 3.32Å; N717-S719 PolarHBondContact OD1-N 3Å; N717-S719 PolarHBondContact OD1-OG 2.97Å
720L72.9Confident75.7Confident8 Ų856 Ų564%0.04230%0.295CS..  trans-116.956.9-177.6-62.1174.9000111.4V671 V673 K678 C680 L713 V714 N717 D718 V722V671-L720 HydrophobicContact CG1-CD2 4.45Å; V673-L720 HydrophobicContact CG2-CD2 4.03Å; K678-L720 HydrophobicContact CB-CD2 3.64Å; K678-L720 HydrophobicContact CD-CD2 3.6Å; K678-L720 HydrophobicContact CG-CD2 4.23Å; C680-L720 WeakPolarHBondContact SG-CD1 3.42Å; L713-L720 CarbonylContact C-O 3.59Å; L713-L720 VanDerWaalsContact C-O 3.24Å; L713-L720 HydrophobicContact CB-CB 3.85Å; L713-L720 HydrophobicContact CB-CD1 4.38Å; V714-L720 PolarHBondContact N-O 2.65Å; N717-L720 HydrophobicContact CB-CB 4.41Å; N717-L720 HydrophobicContact CB-CD1 3.73Å; N717-L720 HydrophobicContact CB-CG 3.94Å; N717-L720 WeakPolarHBondContact O-CB 3.06Å; N717-L720 PolarHBondContact O-N 2.98Å; D718-L720 VanDerWaalsContact C-N 3.29Å; D718-L720 PolarHBondContact O-N 3.11Å; L720-V722 PolarHBondContact O-N 3.07Å
721N76.3Confident75.1Confident113 Ų11358.6 Ų58.660%0.60431%0.307SS*.  trans-78.658.4177.1-167.821.1000112.7S712S712-N721 PolarHBondContact OG-OD1 3.33Å
722V78.1Confident73.8Confident18 Ų1864.4 Ų64.411%0.10933%0.332CS..  trans-142.4156.6176.4-60.80000110.7V671 V673 L713 L720V671-V722 HydrophobicContact CG1-CG2 4.41Å; V671-V722 HydrophobicContact CG2-CG2 3.71Å; V673-V722 HydrophobicContact CB-CG1 4.16Å; V673-V722 HydrophobicContact CG1-CG1 4.03Å; V673-V722 HydrophobicContact CG2-CB 4.29Å; V673-V722 HydrophobicContact CG2-CG1 3.83Å; V673-V722 HydrophobicContact CG2-CG2 3.47Å; V673-V722 VanDerWaalsContact CG2-CG2 3.47Å; L713-V722 PolarHBondContact N-O 3.49Å; L720-V722 PolarHBondContact O-N 3.07Å
723T82.8Confident71.9Confident43 Ų4373.8 Ų73.826%0.26436%0.363SS..  trans-98.9160.9167.956.50000110.6G654 Y708 Q709 A725G654-T723 VanDerWaalsContact CA-O 3.32Å; G654-T723 WeakPolarHBondContact CA-O 3.09Å; Y708-T723 WeakPolarHBondContact O-CB 3.47Å; Q709-T723 WeakPolarHBondContact O-CB 3.44Å; T723-A725 PolarHBondContact O-N 3.31Å
724L82.9Confident69.7Low0 Ų088.8 Ų88.80%042%0.42CS..  trans-76.864.4171.2-60.2-174.6000109.7H628 F656 V671 V705 Y708 L713H628-L724 PolarHBondContact NE2-O 2.88Å; F656-L724 HydrophobicContact CB-CD2 3.64Å; F656-L724 HydrophobicContact CD1-CB 3.64Å; F656-L724 HydrophobicContact CD1-CD2 4.09Å; F656-L724 HydrophobicContact CD1-CG 4.39Å; F656-L724 HydrophobicContact CD2-CB 4.33Å; F656-L724 HydrophobicContact CD2-CD1 4.2Å; F656-L724 HydrophobicContact CD2-CD2 3.93Å; F656-L724 HydrophobicContact CD2-CG 4.39Å; F656-L724 HydrophobicContact CE1-CB 3.7Å; F656-L724 WeakPolarHBondContact CE1-O 3.4Å; F656-L724 HydrophobicContact CE2-CB 4.38Å; F656-L724 HydrophobicContact CE2-CD1 4.26Å; F656-L724 HydrophobicContact CG-CB 3.99Å; F656-L724 HydrophobicContact CG-CD2 3.61Å; F656-L724 HydrophobicContact CG-CG 4.25Å; F656-L724 HydrophobicContact CZ-CB 4.11Å; V671-L724 HydrophobicContact CB-CD2 4.43Å; V671-L724 HydrophobicContact CG2-CD2 4.3Å; V705-L724 HydrophobicContact CG2-CD1 4.22Å; Y708-L724 PolarHBondContact O-N 3.41Å; L713-L724 HydrophobicContact CD1-CD2 3.85Å; L713-L724 HydrophobicContact CD1-CG 4.34Å
725A78.4Confident69.3Low25 Ų2590.8 Ų90.821%0.20743%0.426CS..  trans-77.7-29.4-168.300000113.7H628 G654 T723H628-A725 PolarHBondContact CE1-O 2.99Å; H628-A725 VanDerWaalsContact NE2-C 3.34Å; H628-A725 PolarHBondContact NE2-O 3.2Å; H628-A725 VanDerWaalsContact NE2-O 3.13Å; G654-A725 PolarHBondContact O-N 3.44Å; G654-A725 VanDerWaalsContact O-N 3.16Å; T723-A725 PolarHBondContact O-N 3.31Å
726Y83.9Confident69.5Low85 Ų8588.8 Ų88.833%0.33342%0.417SS..EExtended strand (participates in β ladder)trans-137.4114.2-169.3-50.2-59.9000112.7R652 G654 T655 F656R652-Y726 VanDerWaalsContact CD-CD2 3.48Å; R652-Y726 HydrophobicContact CG-CD2 3.74Å; R652-Y726 HydrophobicContact CG-CE2 3.99Å; R652-Y726 VanDerWaalsContact CZ-CD2 3.44Å; R652-Y726 VanDerWaalsContact CZ-CE2 3.48Å; R652-Y726 VanDerWaalsContact NE-CE2 3.3Å; R652-Y726 PolarHBondContact NH1-OH 3.3Å; R652-Y726 VanDerWaalsContact NH2-CE1 3.28Å; G654-Y726 PolarHBondContact O-N 3.02Å; G654-Y726 VanDerWaalsContact O-N 3.11Å; T655-Y726 CarbonylContact C-O 3.43Å; T655-Y726 VanDerWaalsContact CA-O 3.3Å; T655-Y726 WeakPolarHBondContact CA-O 3.37Å; F656-Y726 VanDerWaalsContact CD1-O 3.28Å; F656-Y726 WeakPolarHBondContact CD1-O 3.1Å; F656-Y726 PolarHBondContact N-O 3.04Å
727P84.9Confident69.5Low7 Ų791 Ų915%0.04543%0.427CS..EExtended strand (participates in β ladder)trans-64.4139.5170.8-23.737.8000110.4P627 H628 S633 W634 F656 Y729 A730P627-P727 HydrophobicContact CB-CG 4.02Å; H628-P727 VanDerWaalsContact CD2-CG 3.47Å; H628-P727 WeakPolarHBondContact CD2-CG 3.46Å; H628-P727 WeakPolarHBondContact NE2-CD 3.32Å; S633-P727 WeakPolarHBondContact O-CB 3.2Å; S633-P727 VanDerWaalsContact OG-CB 3.29Å; S633-P727 WeakPolarHBondContact OG-CB 3.32Å; W634-P727 HydrophobicContact CB-CB 3.93Å; W634-P727 HydrophobicContact CG-CB 4.46Å; F656-P727 HydrophobicContact CE1-CG 4.25Å; F656-P727 HydrophobicContact CZ-CG 4.41Å; P727-Y729 PolarHBondContact O-N 3Å; P727-Y729 VanDerWaalsContact O-N 3.12Å; P727-A730 HydrophobicContact CB-CB 4Å; P727-A730 HydrophobicContact CG-CB 4.21Å; P727-A730 WeakPolarHBondContact O-CB 3.35Å; P727-A730 PolarHBondContact O-N 3.06Å; P727-A730 VanDerWaalsContact O-N 3.1Å
728V81.4Confident69.5Low15 Ų1591.8 Ų91.89%0.09143%0.428CS..THydrogen-bonded Turntrans-56.3-31.1-174.668.50000114.7S633 L636 V647 L648 F656 L657S633-V728 WeakPolarHBondContact O-CG1 3.35Å; S633-V728 PolarHBondContact O-N 3.33Å; L636-V728 HydrophobicContact CD1-CG1 4.24Å; V647-V728 HydrophobicContact CG1-CG2 3.47Å; V647-V728 VanDerWaalsContact CG1-CG2 3.47Å; L648-V728 HydrophobicContact CD2-CG2 4.07Å; F656-V728 PolarHBondContact O-N 3.09Å; F656-V728 VanDerWaalsContact O-N 3.16Å; L657-V728 HydrophobicContact CB-CB 4.25Å; L657-V728 HydrophobicContact CB-CG1 3.94Å; L657-V728 HydrophobicContact CD2-CG2 4.36Å
729Y78.3Confident69.5Low134 Ų13488.6 Ų88.653%0.52541%0.407SS..THydrogen-bonded Turntrans-111.514178.8-64.4-55.6000114.5S633 L636 P727 Q731S633-Y729 PolarHBondContact O-N 3.11Å; L636-Y729 HydrophobicContact CD1-CE2 4.33Å; L636-Y729 HydrophobicContact CD2-CD2 4.18Å; L636-Y729 HydrophobicContact CD2-CE2 3.57Å; P727-Y729 PolarHBondContact O-N 3Å; P727-Y729 VanDerWaalsContact O-N 3.12Å; Y729-Q731 PolarHBondContact O-N 2.83Å
730A71.3Confident69.6Low25 Ų2590 Ų9021%0.20740%0.403CS..  trans-62.4126.5171.400000110.2P627 P727 Q732P627-A730 HydrophobicContact CB-CB 3.44Å; P627-A730 VanDerWaalsContact CB-CB 3.44Å; P627-A730 HydrophobicContact CG-CB 3.99Å; P727-A730 HydrophobicContact CB-CB 4Å; P727-A730 HydrophobicContact CG-CB 4.21Å; P727-A730 WeakPolarHBondContact O-CB 3.35Å; P727-A730 PolarHBondContact O-N 3.06Å; P727-A730 VanDerWaalsContact O-N 3.1Å; A730-Q732 PolarHBondContact O-N 3.33Å; A730-Q732 VanDerWaalsContact O-N 3.12Å
731Q56Low69.4Low185 Ų18595.9 Ų95.986%0.86443%0.428SS*.  trans-59.2118.5173.6-74-176.9-9.800108.9Y729 R733Y729-Q731 PolarHBondContact O-N 2.83Å; Q731-R733 PolarHBondContact O-N 3.44Å
732Q48.1Very low68.8Low153 Ų15394.5 Ų94.572%0.71542%0.415SS*.  trans-65106.7171.6-78.9176.4-31.400108A730 R734A730-Q732 PolarHBondContact O-N 3.33Å; A730-Q732 VanDerWaalsContact O-N 3.12Å; Q732-R734 PolarHBondContact O-N 3.3Å; Q732-R734 VanDerWaalsContact O-N 3.15Å
733R38.2Very low68.1Low223 Ų223100.9 Ų100.984%0.84244%0.44SS*.  trans-59.9115.8158.2-74.5-171.2-179.3173.14.6106Q731Q731-R733 PolarHBondContact O-N 3.44Å
734R30.7Very low66.7Low316 Ų316106.2 Ų106.2100%1.19246%0.457SS*.  trans-66.90173.7-95.3-172.3178.6-179.5-0.2110.9Q732Q732-R734 PolarHBondContact O-N 3.3Å; Q732-R734 VanDerWaalsContact O-N 3.15Å

Retrieved 734 of 734 residues in 4952.4 ms (Link to these results)

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