Q95W35_SCHMA Loading...

Eukaryotic translation initiation factor 2 subunit 1 AlphaSync

AlphaFold DB , UniProt , Accession Q95W35, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 328 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44.5Very low65.2Low229 Ų22967.2 Ų67.2100%1.12834%0.34SS*.  0145.10-61.3-161.6-144.700107.4I3M1-I3 PolarHBondContact O-N 3.41Å; M1-I3 VanDerWaalsContact O-N 3.13Å
2P57.7Low66.1Low81 Ų8166.7 Ų66.753%0.52633%0.334SS..  trans-60.8120.9174.424.9-31.1000108.5Q4P2-Q4 PolarHBondContact O-N 3.49Å
3I61.3Low67.3Low26 Ų2662 Ų6213%0.13331%0.311CS..  trans-58.2122.9175.4-53.7177.9000107M1 R112 Y120 D123 L126M1-I3 PolarHBondContact O-N 3.41Å; M1-I3 VanDerWaalsContact O-N 3.13Å; I3-R112 PolarHBondContact O-NE 3.43Å; I3-Y120 WeakPolarHBondContact CD1-O 3.42Å; I3-D123 WeakPolarHBondContact CG2-OD1 3.41Å; I3-L126 HydrophobicContact CB-CD2 4.23Å; I3-L126 HydrophobicContact CG2-CB 3.91Å; I3-L126 HydrophobicContact CG2-CD2 3.48Å; I3-L126 VanDerWaalsContact CG2-CD2 3.48Å; I3-L126 HydrophobicContact CG2-CG 4.34Å
4Q62Low68.4Low86 Ų8666.4 Ų66.440%0.40233%0.33SS..  trans-121.6111.6-176.2-83.5-178.2-13.700108.8P2 K39 N40P2-Q4 PolarHBondContact O-N 3.49Å; Q4-K39 WeakPolarHBondContact O-CE 3.46Å; Q4-N40 VanDerWaalsContact CD-ND2 3.32Å; Q4-N40 PolarHBondContact NE2-ND2 3.16Å; Q4-N40 VanDerWaalsContact NE2-ND2 3.18Å; Q4-N40 PolarHBondContact OE1-ND2 3.49Å
5C64.8Low69.6Low6 Ų668.7 Ų68.74%0.04135%0.348CS..  trans-104.2144.1173.1-174.30000109.9N108 L126C5-N108 PolarHBondContact O-ND2 2.86Å; C5-L126 HydrophobicContact CB-CD2 3.51Å; C5-L126 HydrophobicContact CB-CG 3.73Å
6R71.8Confident70.6Confident45 Ų4567.1 Ų67.117%0.1736%0.355CS..  trans-58.5148.3167.365-174.9101.2169.94.2110.3Y8 E9 L11 E127 W135R6-Y8 WeakPolarHBondContact CD-O 3.31Å; R6-Y8 WeakPolarHBondContact CG-O 3.43Å; R6-E9 PolarHBondContact NH1-O 3.47Å; R6-L11 VanDerWaalsContact NH1-CG 3.3Å; R6-E127 IonicContact CZ-OE1 3.21Å; R6-E127 VanDerWaalsContact CZ-OE1 3.29Å; R6-E127 IonicContact CZ-OE2 2.9Å; R6-E127 IonicContact NE-OE1 2.65Å; R6-E127 PolarHBondContact NE-OE1 2.85Å; R6-E127 VanDerWaalsContact NH2-CD 3.25Å; R6-E127 IonicContact NH2-OE1 2.8Å; R6-E127 PolarHBondContact NH2-OE1 3.28Å; R6-E127 IonicContact NH2-OE2 3.4Å; R6-E127 PolarHBondContact NH2-OE2 2.77Å; R6-W135 HydrophobicContact CG-CH2 4.1Å; R6-W135 HydrophobicContact CG-CZ2 3.58Å
7F70.5Confident71.4Confident34 Ų3465.2 Ų65.215%0.14935%0.345CS..SBendtrans-80.4-34.3-177.2-73.7-130.2000111L36 E37 F101 A104 K105 N108 W135F7-L36 VanDerWaalsContact CE2-O 3.31Å; F7-L36 WeakPolarHBondContact CE2-O 3.3Å; F7-E37 WeakPolarHBondContact CB-O 3.41Å; F7-E37 WeakPolarHBondContact CD2-O 3.28Å; F7-E37 PolarHBondContact N-O 2.8Å; F7-F101 HydrophobicContact CE1-CE2 4.33Å; F7-A104 HydrophobicContact CD1-CB 3.65Å; F7-A104 HydrophobicContact CE1-CB 4.36Å; F7-K105 VanDerWaalsContact CE1-CA 3.47Å; F7-K105 HydrophobicContact CE1-CB 3.99Å; F7-N108 HydrophobicContact CD1-CB 4.22Å; F7-N108 WeakPolarHBondContact CD2-ND2 3.41Å; F7-N108 HydrophobicContact CE1-CB 4.02Å; F7-N108 HydrophobicContact CE2-CB 4.4Å; F7-N108 WeakPolarHBondContact CE2-ND2 3.23Å; F7-N108 HydrophobicContact CZ-CB 4.08Å; F7-W135 PolarHBondContact O-NE1 3.18Å
8Y72.9Confident72.3Confident4 Ų462.1 Ų62.12%0.01633%0.329CS..SBendtrans-114158.8-178-52.1-61.8000111.2R6 D10 E37 Y38 R100 A104 R144R6-Y8 WeakPolarHBondContact CD-O 3.31Å; R6-Y8 WeakPolarHBondContact CG-O 3.43Å; Y8-D10 VanDerWaalsContact C-N 3.26Å; Y8-D10 PolarHBondContact O-N 3.45Å; Y8-E37 HydrophobicContact CD2-CB 4.45Å; Y8-E37 HydrophobicContact CE2-CB 4.02Å; Y8-E37 HydrophobicContact CE2-CG 4.27Å; Y8-Y38 HydrophobicContact CD2-CE1 4.09Å; Y8-Y38 HydrophobicContact CD2-CE2 4.32Å; Y8-Y38 AromaticContact CD2-CZ 3.78Å; Y8-R100 PolarHBondContact OH-NE 3.37Å; Y8-R100 VanDerWaalsContact OH-NE 3.16Å; Y8-A104 HydrophobicContact CE1-CB 4.48Å; Y8-R144 HydrophobicContact CD1-CB 4.46Å; Y8-R144 HydrophobicContact CD1-CG 4.49Å; Y8-R144 HydrophobicContact CE1-CB 4.06Å
9E70.4Confident73.2Confident55 Ų5558.8 Ų58.826%0.25731%0.312SS..SBendtrans-61.4-38.8175.7-178.1167.5-160.600111.7R6 L11 W135 R139R6-E9 PolarHBondContact NH1-O 3.47Å; E9-L11 PolarHBondContact O-N 2.91Å; E9-W135 HydrophobicContact CB-CB 4.35Å; E9-W135 HydrophobicContact CB-CD2 3.73Å; E9-W135 HydrophobicContact CB-CE3 3.84Å; E9-W135 HydrophobicContact CB-CG 3.94Å; E9-W135 HydrophobicContact CG-CD2 4.26Å; E9-W135 HydrophobicContact CG-CE3 3.83Å; E9-W135 HydrophobicContact CG-CZ3 4.3Å; E9-R139 IonicContact OE1-CZ 3.65Å; E9-R139 IonicContact OE1-NE 3.82Å; E9-R139 IonicContact OE1-NH2 2.83Å; E9-R139 PolarHBondContact OE1-NH2 3.17Å; E9-R139 IonicContact OE2-CZ 3.9Å; E9-R139 IonicContact OE2-NE 3.72Å; E9-R139 PolarHBondContact OE2-NE 3.06Å; E9-R139 IonicContact OE2-NH2 3.89Å; E9-R139 PolarHBondContact OE2-NH2 3.1Å
10D72.4Confident74Confident72 Ų7256.4 Ų56.439%0.38530%0.299SS..  trans-61.8128.9179.6-59.1-37.8000111.1Y8 F12 Y38 R144Y8-D10 VanDerWaalsContact C-N 3.26Å; Y8-D10 PolarHBondContact O-N 3.45Å; D10-F12 VanDerWaalsContact C-N 3.27Å; D10-F12 PolarHBondContact O-N 3.26Å; D10-Y38 WeakPolarHBondContact O-CD1 3.3Å; D10-Y38 VanDerWaalsContact O-CE1 3.32Å; D10-Y38 WeakPolarHBondContact O-CE1 3.14Å; D10-R144 IonicContact OD2-CZ 4Å; D10-R144 IonicContact OD2-NE 2.81Å; D10-R144 IonicContact OD2-NH2 2.86Å; D10-R144 PolarHBondContact OD2-NH2 3.36Å
11L69.3Low74.8Confident101 Ų10153.7 Ų53.753%0.52929%0.285SS..SBendtrans-66.8-31175.8-80.5140.7000112.5R6 E9 I41R6-L11 VanDerWaalsContact NH1-CG 3.3Å; E9-L11 PolarHBondContact O-N 2.91Å; L11-I41 VanDerWaalsContact O-CD1 3.3Å; L11-I41 WeakPolarHBondContact O-CD1 3.48Å
12F76Confident77Confident61 Ų6144 Ų4427%0.26824%0.238SC..SBendtrans-131.9146.8-176.1-60.2-77.1000110.2D10 I41 V75 I82D10-F12 VanDerWaalsContact C-N 3.27Å; D10-F12 PolarHBondContact O-N 3.26Å; F12-I41 HydrophobicContact CD1-CD1 4.39Å; F12-I41 HydrophobicContact CE1-CD1 4.29Å; F12-V75 HydrophobicContact CB-CG1 3.9Å; F12-V75 HydrophobicContact CD1-CG1 4.32Å; F12-V75 HydrophobicContact CG-CG1 4.2Å; F12-I82 HydrophobicContact CD1-CD1 4.33Å
13P81.7Confident78.6Confident6 Ų640.2 Ų40.24%0.03921%0.213CC..PPolyproline II helixtrans-66.7158.3172.330-35.6000111.3V19 L35 Y38 V72 V75 I82P13-V19 HydrophobicContact CB-CG1 4.2Å; P13-L35 HydrophobicContact CG-CD2 3.85Å; P13-Y38 WeakPolarHBondContact CA-OH 3.32Å; P13-Y38 HydrophobicContact CB-CE2 3.72Å; P13-Y38 HydrophobicContact CG-CE2 4.22Å; P13-V72 HydrophobicContact CB-CG2 3.9Å; P13-V72 HydrophobicContact CG-CG1 4.35Å; P13-V72 HydrophobicContact CG-CG2 3.78Å; P13-V75 WeakPolarHBondContact O-CG2 3.34Å; P13-I82 HydrophobicContact CG-CD1 4.29Å
14E83.1Confident80Confident124 Ų12444.3 Ų44.358%0.57923%0.23SC*.PPolyproline II helixtrans-81.6154172.8-72.1-177.3147.800111.5G16 D17 R144E14-G16 PolarHBondContact O-N 3.41Å; E14-D17 WeakPolarHBondContact O-CB 3.4Å; E14-D17 PolarHBondContact O-N 3.34Å; E14-R144 IonicContact OE2-NH1 2.73Å; E14-R144 IonicContact OE2-NH2 3.29Å
15V86.5Confident81.3Confident100 Ų10043.6 Ų43.661%0.60623%0.232SC*.THydrogen-bonded Turntrans-64.1128.8175.9-179.90000109.5V73 V75V15-V73 VanDerWaalsContact CG1-O 3.23Å; V15-V73 WeakPolarHBondContact CG1-O 3.44Å; V15-V75 HydrophobicContact CG2-CG2 4.44Å
16G84.2Confident82.4Confident44 Ų4445.9 Ų45.945%0.45424%0.243SC..THydrogen-bonded Turntrans93.1-9-177.900000114.7E14 T71 V72E14-G16 PolarHBondContact O-N 3.41Å; G16-T71 WeakPolarHBondContact O-CG2 3.3Å; G16-V72 WeakPolarHBondContact CA-O 3.38Å; G16-V72 PolarHBondContact N-O 3.49Å
17D85.6Confident83.1Confident35 Ų3548.2 Ų48.219%0.18726%0.256CS..  trans-74.1149.4178.7-156.56.1000111.4E14 T71 V72 R100 R144E14-D17 WeakPolarHBondContact O-CB 3.4Å; E14-D17 PolarHBondContact O-N 3.34Å; D17-T71 CarbonylContact O-C 3.6Å; D17-T71 WeakPolarHBondContact O-CA 3.47Å; D17-V72 PolarHBondContact O-N 3.24Å; D17-R100 VanDerWaalsContact CG-NH1 3.35Å; D17-R100 IonicContact OD1-NH1 2.68Å; D17-R100 PolarHBondContact OD1-NH1 2.75Å; D17-R100 IonicContact OD2-CZ 2.76Å; D17-R100 IonicContact OD2-NH1 3.46Å; D17-R100 PolarHBondContact OD2-NH1 3.02Å; D17-R100 IonicContact OD2-NH2 2.79Å; D17-R144 IonicContact OD2-CZ 3.94Å; D17-R144 IonicContact OD2-NH1 3.77Å; D17-R144 PolarHBondContact OD2-NH1 3.49Å
18V87.3Confident83.7Confident8 Ų851.7 Ų51.75%0.04829%0.285CS..EExtended strand (participates in β ladder)trans-100.3123.2177.5-175.50000108.7V70 T71 E93 C97 R100V18-V70 WeakPolarHBondContact CA-O 3.35Å; V18-T71 HydrophobicContact CG2-CG2 4.32Å; V18-E93 HydrophobicContact CG2-CB 3.98Å; V18-C97 VanDerWaalsContact C-SG 3.59Å; V18-C97 HydrophobicContact CB-CB 4.13Å; V18-C97 HydrophobicContact CG1-CB 3.75Å; V18-C97 PolarHBondContact O-SG 3.45Å; V18-R100 PolarHBondContact O-NH2 2.9Å
19V88.6Confident84.1Confident1 Ų158.6 Ų58.61%0.00632%0.319CS..EExtended strand (participates in β ladder)trans-128155.3-174.3-62.90000110.9P13 V21 L35 Y38 V70 V72 L84P13-V19 HydrophobicContact CB-CG1 4.2Å; V19-V21 HydrophobicContact CG2-CG1 4.15Å; V19-L35 HydrophobicContact CG2-CD2 4.13Å; V19-L35 HydrophobicContact CG2-CG 4.43Å; V19-Y38 HydrophobicContact CG1-CE2 4.17Å; V19-V70 HydrophobicContact CG2-CG2 4.02Å; V19-V70 PolarHBondContact N-O 3.49Å; V19-V70 PolarHBondContact O-N 3.06Å; V19-V72 HydrophobicContact CG1-CG2 4.35Å; V19-V72 HydrophobicContact CG2-CG2 3.95Å; V19-L84 HydrophobicContact CG2-CD2 4.32Å
20L89.2Confident84.9Confident10 Ų1056 Ų565%0.05231%0.307CS..EExtended strand (participates in β ladder)trans-93.7126.2176-126.9118000110.3L36 N67 E69 K98 F101L20-L36 HydrophobicContact CD2-CD1 4.38Å; L20-L36 PolarHBondContact O-N 3.46Å; L20-N67 HydrophobicContact CD2-CB 3.82Å; L20-E69 HydrophobicContact CD1-CG 4.02Å; L20-E69 HydrophobicContact CG-CG 4.31Å; L20-K98 HydrophobicContact CD1-CG 4.15Å; L20-F101 HydrophobicContact CB-CD2 4.1Å; L20-F101 HydrophobicContact CB-CE2 4.4Å; L20-F101 HydrophobicContact CB-CG 4.18Å; L20-F101 HydrophobicContact CD1-CB 4.09Å; L20-F101 HydrophobicContact CD1-CD1 4.14Å; L20-F101 HydrophobicContact CD1-CG 4.11Å; L20-F101 HydrophobicContact CD2-CD1 4.13Å; L20-F101 HydrophobicContact CD2-CE1 4.11Å
21V90.7Very high85.7Confident0 Ų052.6 Ų52.60%029%0.288CS..EExtended strand (participates in β ladder)trans-125.1149-178.2-58.50000111.9V19 V33 E34 L35 N67 T68 V70 L84V19-V21 HydrophobicContact CG2-CG1 4.15Å; V21-V33 HydrophobicContact CB-CB 3.98Å; V21-V33 HydrophobicContact CB-CG2 3.9Å; V21-V33 HydrophobicContact CG1-CG2 4.12Å; V21-V33 HydrophobicContact CG2-CB 3.99Å; V21-V33 HydrophobicContact CG2-CG1 4.22Å; V21-V33 HydrophobicContact CG2-CG2 3.95Å; V21-E34 CarbonylContact C-O 3.54Å; V21-E34 VanDerWaalsContact CA-O 3.31Å; V21-E34 WeakPolarHBondContact CA-O 3.24Å; V21-L35 HydrophobicContact CG1-CD1 4.13Å; V21-L35 HydrophobicContact CG1-CG 3.83Å; V21-N67 CarbonylContact O-C 3.58Å; V21-N67 VanDerWaalsContact O-CA 3.3Å; V21-N67 WeakPolarHBondContact O-CA 3.47Å; V21-T68 WeakPolarHBondContact CG2-O 3.47Å; V21-T68 PolarHBondContact N-O 2.91Å; V21-T68 PolarHBondContact O-N 3.1Å; V21-V70 HydrophobicContact CB-CG2 4.19Å; V21-V70 HydrophobicContact CG1-CG2 3.52Å; V21-V70 HydrophobicContact CG2-CB 4.45Å; V21-V70 HydrophobicContact CG2-CG1 3.99Å; V21-V70 HydrophobicContact CG2-CG2 3.57Å; V21-L84 HydrophobicContact CG1-CD1 4.08Å
22T91.4Very high86.7Confident25 Ų2552.2 Ų52.215%0.15328%0.28CS..EExtended strand (participates in β ladder)trans-104.6132.3171.1-52.90000109.4K24 V33 E34 L36 N67T22-K24 PolarHBondContact O-N 2.88Å; T22-V33 CarbonylContact O-C 3.42Å; T22-V33 VanDerWaalsContact O-CA 3.23Å; T22-V33 WeakPolarHBondContact O-CA 3.48Å; T22-V33 WeakPolarHBondContact O-CB 3.26Å; T22-E34 PolarHBondContact N-O 3.43Å; T22-E34 PolarHBondContact O-N 3.1Å; T22-L36 WeakPolarHBondContact OG1-CD1 3.47Å; T22-L36 WeakPolarHBondContact OG1-CD2 3.43Å; T22-L36 WeakPolarHBondContact OG1-CG 3.44Å; T22-N67 PolarHBondContact OG1-OD1 3.03Å
23V90.4Very high87.5Confident1 Ų149.4 Ų49.41%0.00627%0.268CS..EExtended strand (participates in β ladder)trans-82.4122.8179.7-178.80000109.8I26 V33 V62 G65 S66V23-I26 HydrophobicContact CG1-CG1 4.06Å; V23-V33 HydrophobicContact CB-CG1 4.25Å; V23-V33 HydrophobicContact CG1-CG1 4.39Å; V23-V33 HydrophobicContact CG2-CG1 3.79Å; V23-V62 HydrophobicContact CB-CG1 3.88Å; V23-V62 HydrophobicContact CG1-CG1 3.62Å; V23-V62 HydrophobicContact CG2-CG1 3.23Å; V23-G65 PolarHBondContact O-N 3.01Å; V23-S66 PolarHBondContact N-O 2.98Å
24K90.4Very high87.9Confident112 Ų11251.3 Ų51.349%0.48728%0.277SS..EExtended strand (participates in β ladder)trans-96.9-53.1177-103.6-146.8178.3155.70112.9T22 Y32 E34 I64T22-K24 PolarHBondContact O-N 2.88Å; K24-Y32 PolarHBondContact N-O 3.13Å; K24-E34 HydrophobicContact CD-CG 4.34Å; K24-E34 WeakPolarHBondContact CD-OE1 3.38Å; K24-E34 VanDerWaalsContact CE-CD 3.42Å; K24-E34 WeakPolarHBondContact CE-OE1 3.24Å; K24-E34 WeakPolarHBondContact CE-OE2 3.31Å; K24-E34 HydrophobicContact CG-CG 4.25Å; K24-E34 IonicContact NZ-OE1 2.88Å; K24-E34 PolarHBondContact NZ-OE1 3.41Å; K24-E34 IonicContact NZ-OE2 2.74Å; K24-E34 PolarHBondContact NZ-OE2 3.41Å; K24-I64 WeakPolarHBondContact O-CG2 3.48Å
25V90Very high88.1Confident72 Ų7245.4 Ų45.444%0.43625%0.249SC..EExtended strand (participates in β ladder)trans-137.6133.4-173.7-176.10000109.8Q27 Y32V25-Q27 HydrophobicContact CG1-CG 4.08Å; V25-Y32 PolarHBondContact N-O 2.92Å; V25-Y32 PolarHBondContact O-N 2.96Å
26I87.1Confident88Confident53 Ų5342.6 Ų42.627%0.27223%0.23SC..EExtended strand (participates in β ladder)trans-101.6121.2173.5-55.9172.3000107.1V23 I58 V62 I64V23-I26 HydrophobicContact CG1-CG1 4.06Å; I26-I58 HydrophobicContact CG2-CG2 3.9Å; I26-V62 HydrophobicContact CD1-CG1 4.47Å; I26-I64 HydrophobicContact CD1-CG1 4Å; I26-I64 HydrophobicContact CG1-CG1 4.17Å
27Q87.1Confident87.8Confident94 Ų9440.5 Ų40.544%0.43921%0.209SC..  trans-114.2174.5175-67.9-168.213.200111.1V25 M29 G30 Y32 H47V25-Q27 HydrophobicContact CG1-CG 4.08Å; Q27-M29 VanDerWaalsContact C-N 3.34Å; Q27-M29 PolarHBondContact O-N 3.47Å; Q27-G30 CarbonylContact C-O 3.51Å; Q27-G30 WeakPolarHBondContact CA-O 3.16Å; Q27-G30 PolarHBondContact N-O 3.17Å; Q27-Y32 HydrophobicContact CB-CD2 4.47Å; Q27-Y32 HydrophobicContact CB-CE2 4.21Å; Q27-Y32 HydrophobicContact CG-CD2 3.98Å; Q27-Y32 HydrophobicContact CG-CE2 3.85Å; Q27-H47 PolarHBondContact O-CE1 3.32Å; Q27-H47 PolarHBondContact O-NE2 3.4Å
28S83.1Confident87.6Confident108 Ų10839 Ų3976%0.75520%0.2SC*.SBendtrans-65.8-32.2-178.952.80000113.9H47S28-H47 PolarHBondContact O-CE1 3.1Å; S28-H47 PolarHBondContact O-ND1 3.17Å; S28-H47 VanDerWaalsContact O-ND1 3.11Å
29M82.7Confident87.2Confident149 Ų14942.7 Ų42.773%0.73422%0.216SC*.SBendtrans-90.6-22.1-179.2-69.9-67.6-169.600113.7Q27 M44Q27-M29 VanDerWaalsContact C-N 3.34Å; Q27-M29 PolarHBondContact O-N 3.47Å; M29-M44 HydrophobicContact CB-CE 4.2Å
30G85.4Confident86.9Confident0 Ų044.4 Ų44.40%023%0.225CC..EExtended strand (participates in β ladder)trans176174.2-17700000112.7Q27 I45Q27-G30 CarbonylContact C-O 3.51Å; Q27-G30 WeakPolarHBondContact CA-O 3.16Å; Q27-G30 PolarHBondContact N-O 3.17Å; G30-I45 CarbonylContact C-O 3.6Å; G30-I45 WeakPolarHBondContact CA-O 3.34Å
31S89.2Confident86.7Confident0 Ų046.1 Ų46.10%023%0.234CC..EExtended strand (participates in β ladder)trans-101.1123.8175.3-58.60000110I45S31-I45 PolarHBondContact N-O 3.03Å; S31-I45 PolarHBondContact O-N 2.89Å
32Y91.4Very high86.5Confident93 Ų9348.3 Ų48.337%0.36526%0.256SS..EExtended strand (participates in β ladder)trans-82.6128.4171.3-69.7-89.4000109.4K24 V25 Q27 G43K24-Y32 PolarHBondContact N-O 3.13Å; V25-Y32 PolarHBondContact N-O 2.92Å; V25-Y32 PolarHBondContact O-N 2.96Å; Q27-Y32 HydrophobicContact CB-CD2 4.47Å; Q27-Y32 HydrophobicContact CB-CE2 4.21Å; Q27-Y32 HydrophobicContact CG-CD2 3.98Å; Q27-Y32 HydrophobicContact CG-CE2 3.85Å; Y32-G43 WeakPolarHBondContact CA-O 3.21Å
33V91.6Very high86.5Confident2 Ų247.3 Ų47.31%0.01225%0.251CS..EExtended strand (participates in β ladder)trans-130.1158.2-176.2-55.20000110.2V21 T22 V23 G42 G43 I45 L84V21-V33 HydrophobicContact CB-CB 3.98Å; V21-V33 HydrophobicContact CB-CG2 3.9Å; V21-V33 HydrophobicContact CG1-CG2 4.12Å; V21-V33 HydrophobicContact CG2-CB 3.99Å; V21-V33 HydrophobicContact CG2-CG1 4.22Å; V21-V33 HydrophobicContact CG2-CG2 3.95Å; T22-V33 CarbonylContact O-C 3.42Å; T22-V33 VanDerWaalsContact O-CA 3.23Å; T22-V33 WeakPolarHBondContact O-CA 3.48Å; T22-V33 WeakPolarHBondContact O-CB 3.26Å; V23-V33 HydrophobicContact CB-CG1 4.25Å; V23-V33 HydrophobicContact CG1-CG1 4.39Å; V23-V33 HydrophobicContact CG2-CG1 3.79Å; V33-G42 CarbonylContact O-C 3.4Å; V33-G42 WeakPolarHBondContact O-CA 3.41Å; V33-G43 PolarHBondContact N-O 3.15Å; V33-G43 PolarHBondContact O-N 2.95Å; V33-I45 HydrophobicContact CG1-CD1 3.55Å; V33-I45 HydrophobicContact CG1-CG1 4.14Å; V33-I45 HydrophobicContact CG2-CD1 4.3Å; V33-I45 HydrophobicContact CG2-CG1 4.28Å; V33-L84 HydrophobicContact CG2-CD1 3.25Å
34E90.9Very high86.5Confident46 Ų4649.2 Ų49.222%0.21526%0.261CS..EExtended strand (participates in β ladder)trans-112.7129.4175.1-68.4-180161.100109.1V21 T22 K24 L36 N40 I41V21-E34 CarbonylContact C-O 3.54Å; V21-E34 VanDerWaalsContact CA-O 3.31Å; V21-E34 WeakPolarHBondContact CA-O 3.24Å; T22-E34 PolarHBondContact N-O 3.43Å; T22-E34 PolarHBondContact O-N 3.1Å; K24-E34 HydrophobicContact CD-CG 4.34Å; K24-E34 WeakPolarHBondContact CD-OE1 3.38Å; K24-E34 VanDerWaalsContact CE-CD 3.42Å; K24-E34 WeakPolarHBondContact CE-OE1 3.24Å; K24-E34 WeakPolarHBondContact CE-OE2 3.31Å; K24-E34 HydrophobicContact CG-CG 4.25Å; K24-E34 IonicContact NZ-OE1 2.88Å; K24-E34 PolarHBondContact NZ-OE1 3.41Å; K24-E34 IonicContact NZ-OE2 2.74Å; K24-E34 PolarHBondContact NZ-OE2 3.41Å; E34-L36 PolarHBondContact O-N 2.82Å; E34-N40 HydrophobicContact CB-CB 4.13Å; E34-N40 HydrophobicContact CG-CB 4.49Å; E34-I41 WeakPolarHBondContact CA-O 3.29Å
35L88.1Confident86.5Confident0 Ų044 Ų440%024%0.238CC..EExtended strand (participates in β ladder)trans-80.2109.5175.7-75.575.2000109.6P13 V19 V21 E37 Y38 N40 I41 I82 L84P13-L35 HydrophobicContact CG-CD2 3.85Å; V19-L35 HydrophobicContact CG2-CD2 4.13Å; V19-L35 HydrophobicContact CG2-CG 4.43Å; V21-L35 HydrophobicContact CG1-CD1 4.13Å; V21-L35 HydrophobicContact CG1-CG 3.83Å; L35-E37 PolarHBondContact O-N 3.37Å; L35-Y38 HydrophobicContact CB-CD2 4.34Å; L35-Y38 HydrophobicContact CD2-CD2 3.97Å; L35-Y38 PolarHBondContact O-N 3.4Å; L35-N40 WeakPolarHBondContact O-CA 3.41Å; L35-N40 PolarHBondContact O-N 2.95Å; L35-I41 WeakPolarHBondContact CD1-O 3.41Å; L35-I41 PolarHBondContact N-O 2.94Å; L35-I82 HydrophobicContact CD1-CD1 4.22Å; L35-I82 HydrophobicContact CD2-CD1 3.92Å; L35-L84 HydrophobicContact CD1-CD1 4.09Å
36L83.7Confident86.4Confident41 Ų4143.9 Ų43.922%0.21523%0.234CC..THydrogen-bonded Turntrans-63.7-31.3-177.2-69.2168000112.7F7 L20 T22 E34 Y38 F101F7-L36 VanDerWaalsContact CE2-O 3.31Å; F7-L36 WeakPolarHBondContact CE2-O 3.3Å; L20-L36 HydrophobicContact CD2-CD1 4.38Å; L20-L36 PolarHBondContact O-N 3.46Å; T22-L36 WeakPolarHBondContact OG1-CD1 3.47Å; T22-L36 WeakPolarHBondContact OG1-CD2 3.43Å; T22-L36 WeakPolarHBondContact OG1-CG 3.44Å; E34-L36 PolarHBondContact O-N 2.82Å; L36-Y38 VanDerWaalsContact C-N 3.33Å; L36-F101 HydrophobicContact CB-CE2 3.86Å; L36-F101 HydrophobicContact CB-CZ 4.05Å; L36-F101 HydrophobicContact CD1-CE2 4.4Å; L36-F101 HydrophobicContact CD1-CZ 3.88Å
37E79.9Confident86.2Confident1 Ų143.1 Ų43.11%0.00523%0.23CC..THydrogen-bonded Turntrans-74.1-23.8-177.4-66-179.1155.300113F7 Y8 L35 R100 F101F7-E37 WeakPolarHBondContact CB-O 3.41Å; F7-E37 WeakPolarHBondContact CD2-O 3.28Å; F7-E37 PolarHBondContact N-O 2.8Å; Y8-E37 HydrophobicContact CD2-CB 4.45Å; Y8-E37 HydrophobicContact CE2-CB 4.02Å; Y8-E37 HydrophobicContact CE2-CG 4.27Å; L35-E37 PolarHBondContact O-N 3.37Å; E37-R100 IonicContact OE1-NE 3Å; E37-R100 IonicContact OE1-NH2 3.89Å; E37-R100 PolarHBondContact OE1-NH2 3.38Å; E37-R100 IonicContact OE2-CZ 2.74Å; E37-R100 IonicContact OE2-NH2 2.56Å; E37-R100 PolarHBondContact OE2-NH2 2.84Å; E37-F101 HydrophobicContact CG-CD2 3.56Å; E37-F101 HydrophobicContact CG-CE2 3.86Å; E37-F101 WeakPolarHBondContact OE1-CD2 3.46Å
38Y81.7Confident86.1Confident2 Ų243.2 Ų43.21%0.00824%0.241CC..THydrogen-bonded Turntrans-12360.3-171.1-61.1-90.6000111Y8 D10 P13 V19 L35 L36 N40 I41Y8-Y38 HydrophobicContact CD2-CE1 4.09Å; Y8-Y38 HydrophobicContact CD2-CE2 4.32Å; Y8-Y38 AromaticContact CD2-CZ 3.78Å; D10-Y38 WeakPolarHBondContact O-CD1 3.3Å; D10-Y38 VanDerWaalsContact O-CE1 3.32Å; D10-Y38 WeakPolarHBondContact O-CE1 3.14Å; P13-Y38 WeakPolarHBondContact CA-OH 3.32Å; P13-Y38 HydrophobicContact CB-CE2 3.72Å; P13-Y38 HydrophobicContact CG-CE2 4.22Å; V19-Y38 HydrophobicContact CG1-CE2 4.17Å; L35-Y38 HydrophobicContact CB-CD2 4.34Å; L35-Y38 HydrophobicContact CD2-CD2 3.97Å; L35-Y38 PolarHBondContact O-N 3.4Å; L36-Y38 VanDerWaalsContact C-N 3.33Å; Y38-N40 PolarHBondContact O-N 3.45Å; Y38-I41 WeakPolarHBondContact O-CD1 3.45Å; Y38-I41 WeakPolarHBondContact O-CG1 3.45Å; Y38-I41 PolarHBondContact O-N 2.91Å
39K79.1Confident86.1Confident86 Ų8639.9 Ų39.937%0.37421%0.213SC..THydrogen-bonded Turntrans51.535.3175.8-158.9177.6-178.5165.90113.9Q4 I41 D123Q4-K39 WeakPolarHBondContact O-CE 3.46Å; K39-I41 PolarHBondContact O-N 3.36Å; K39-D123 IonicContact NZ-OD2 2.83Å; K39-D123 PolarHBondContact NZ-OD2 3.37Å
40N82.4Confident86.2Confident38 Ų3833 Ų3320%0.20318%0.18CC..THydrogen-bonded Turntrans57.234.1-179.3-56.1-47.1000113.9Q4 E34 L35 Y38 G42Q4-N40 VanDerWaalsContact CD-ND2 3.32Å; Q4-N40 PolarHBondContact NE2-ND2 3.16Å; Q4-N40 VanDerWaalsContact NE2-ND2 3.18Å; Q4-N40 PolarHBondContact OE1-ND2 3.49Å; E34-N40 HydrophobicContact CB-CB 4.13Å; E34-N40 HydrophobicContact CG-CB 4.49Å; L35-N40 WeakPolarHBondContact O-CA 3.41Å; L35-N40 PolarHBondContact O-N 2.95Å; Y38-N40 PolarHBondContact O-N 3.45Å; N40-G42 PolarHBondContact O-N 3.39Å
41I85Confident85.9Confident45 Ų4535 Ų3523%0.23119%0.193CC..EExtended strand (participates in β ladder)trans-55.9137.9171.7-69.2163000109.4L11 F12 E34 L35 Y38 K39 I82L11-I41 VanDerWaalsContact O-CD1 3.3Å; L11-I41 WeakPolarHBondContact O-CD1 3.48Å; F12-I41 HydrophobicContact CD1-CD1 4.39Å; F12-I41 HydrophobicContact CE1-CD1 4.29Å; E34-I41 WeakPolarHBondContact CA-O 3.29Å; L35-I41 WeakPolarHBondContact CD1-O 3.41Å; L35-I41 PolarHBondContact N-O 2.94Å; Y38-I41 WeakPolarHBondContact O-CD1 3.45Å; Y38-I41 WeakPolarHBondContact O-CG1 3.45Å; Y38-I41 PolarHBondContact O-N 2.91Å; K39-I41 PolarHBondContact O-N 3.36Å; I41-I82 HydrophobicContact CG2-CD1 3.77Å
42G86.4Confident85.3Confident46 Ų4643.7 Ų43.747%0.47423%0.226SC..EExtended strand (participates in β ladder)trans-70.5128.3177.700000111.8V33 N40V33-G42 CarbonylContact O-C 3.4Å; V33-G42 WeakPolarHBondContact O-CA 3.41Å; N40-G42 PolarHBondContact O-N 3.39Å
43G90.1Very high84.8Confident4 Ų449.4 Ų49.44%0.04125%0.247CC..EExtended strand (participates in β ladder)trans-120163.4168.300000111.3Y32 V33 I82Y32-G43 WeakPolarHBondContact CA-O 3.21Å; V33-G43 PolarHBondContact N-O 3.15Å; V33-G43 PolarHBondContact O-N 2.95Å; G43-I82 WeakPolarHBondContact CA-O 3.45Å
44M91Very high84Confident42 Ų4261.4 Ų61.421%0.20729%0.292CS..EExtended strand (participates in β ladder)trans-125.5132177.6-171.8178.3179.200110.3M29 I82 L84M29-M44 HydrophobicContact CB-CE 4.2Å; M44-I82 PolarHBondContact N-O 2.62Å; M44-L84 PolarHBondContact O-N 3.09Å
45I90.8Very high83.3Confident1 Ų162 Ų621%0.00530%0.296CS..EExtended strand (participates in β ladder)trans-106.3118.9170.3-54.3165.3000108G30 S31 V33 L50 V70 L84G30-I45 CarbonylContact C-O 3.6Å; G30-I45 WeakPolarHBondContact CA-O 3.34Å; S31-I45 PolarHBondContact N-O 3.03Å; S31-I45 PolarHBondContact O-N 2.89Å; V33-I45 HydrophobicContact CG1-CD1 3.55Å; V33-I45 HydrophobicContact CG1-CG1 4.14Å; V33-I45 HydrophobicContact CG2-CD1 4.3Å; V33-I45 HydrophobicContact CG2-CG1 4.28Å; I45-L50 HydrophobicContact CB-CD1 4.47Å; I45-L50 HydrophobicContact CG2-CD1 3.58Å; I45-V70 HydrophobicContact CD1-CG1 3.81Å; I45-V70 HydrophobicContact CG1-CG1 4.45Å; I45-L84 HydrophobicContact CG1-CB 3.69Å; I45-L84 HydrophobicContact CG1-CD1 4.26Å
46L87.8Confident82.7Confident70 Ų7074.5 Ų74.537%0.36634%0.343SS..EExtended strand (participates in β ladder)trans-70.5144.8172.4-79.579.6000110.3S48 E49 L50L46-S48 PolarHBondContact O-N 2.97Å; L46-E49 HydrophobicContact CB-CB 4.43Å; L46-E49 HydrophobicContact CB-CG 4.45Å; L46-E49 WeakPolarHBondContact O-CA 3.48Å; L46-E49 PolarHBondContact O-N 2.82Å; L46-L50 PolarHBondContact O-N 2.9Å
47H83.9Confident82.4Confident38 Ų3875.5 Ų75.518%0.17635%0.354CS..G310 helixtrans-59-32.8176.2-68159.9000113.2Q27 S28 E49 L50Q27-H47 PolarHBondContact O-CE1 3.32Å; Q27-H47 PolarHBondContact O-NE2 3.4Å; S28-H47 PolarHBondContact O-CE1 3.1Å; S28-H47 PolarHBondContact O-ND1 3.17Å; S28-H47 VanDerWaalsContact O-ND1 3.11Å; H47-E49 PolarHBondContact O-N 2.75Å; H47-L50 WeakPolarHBondContact O-CB 3.22Å; H47-L50 PolarHBondContact O-N 2.92Å
48S84.2Confident82.3Confident96 Ų9677.7 Ų77.767%0.67137%0.365SS*.G310 helixtrans-65-22.7174.2-54.70000113.4L46L46-S48 PolarHBondContact O-N 2.97Å
49E84Confident82.1Confident38 Ų3881.7 Ų81.718%0.17839%0.393CS..G310 helixtrans-101.43-178.4-71.4-68.4173.300112.8L46 H47 S85 K86 R87 R88L46-E49 HydrophobicContact CB-CB 4.43Å; L46-E49 HydrophobicContact CB-CG 4.45Å; L46-E49 WeakPolarHBondContact O-CA 3.48Å; L46-E49 PolarHBondContact O-N 2.82Å; H47-E49 PolarHBondContact O-N 2.75Å; E49-S85 PolarHBondContact O-OG 2.86Å; E49-S85 VanDerWaalsContact OE2-CB 3.28Å; E49-S85 WeakPolarHBondContact OE2-CB 3.08Å; E49-S85 PolarHBondContact OE2-OG 3.13Å; E49-K86 PolarHBondContact O-N 2.94Å; E49-R87 PolarHBondContact O-N 3.39Å; E49-R87 VanDerWaalsContact O-N 3.11Å; E49-R88 IonicContact OE1-NH2 2.93Å
50L83.4Confident82.1Confident5 Ų587 Ų873%0.02642%0.416CS..THydrogen-bonded Turntrans-77.5-37.3179.7-14571.3000112.9I45 L46 H47 I55 I58 L61 V62I45-L50 HydrophobicContact CB-CD1 4.47Å; I45-L50 HydrophobicContact CG2-CD1 3.58Å; L46-L50 PolarHBondContact O-N 2.9Å; H47-L50 WeakPolarHBondContact O-CB 3.22Å; H47-L50 PolarHBondContact O-N 2.92Å; L50-I55 HydrophobicContact CD2-CD1 4.32Å; L50-I58 HydrophobicContact CD2-CG2 4.08Å; L50-L61 HydrophobicContact CD2-CB 4.24Å; L50-L61 HydrophobicContact CD2-CD1 4.18Å; L50-L61 HydrophobicContact CG-CD1 4.46Å; L50-V62 HydrophobicContact CD1-CG2 3.62Å; L50-V62 HydrophobicContact CD2-CG2 3.91Å; L50-V62 HydrophobicContact CG-CG2 3.99Å
51S79.4Confident81.9Confident40 Ų4088 Ų8828%0.2842%0.421SS..  trans-153.7153-178.4-1690000111.6R53S51-R53 VanDerWaalsContact C-N 3.29Å; S51-R53 PolarHBondContact OG-N 3.13Å
52R77Confident81.6Confident183 Ų18386 Ų8669%0.69141%0.411SS*.SBendtrans-74.2-19.7171.5-63.7-179.2-171.5-164.12.6112.7R87R52-R87 HydrophobicContact CG-CB 4.29Å; R52-R87 HydrophobicContact CG-CG 3.53Å; R52-R87 PolarHBondContact NE-O 3.41Å; R52-R87 PolarHBondContact NH2-O 2.98Å; R52-R87 VanDerWaalsContact NH2-O 3.07Å
53R79.8Confident81.5Confident214 Ų21493 Ų9381%0.80842%0.423SS*.SBendtrans-106.6155.6-176-63.5-176.5-178.9-173.40.9110.7S51 I55S51-R53 VanDerWaalsContact C-N 3.29Å; S51-R53 PolarHBondContact OG-N 3.13Å; R53-I55 PolarHBondContact O-N 3.33Å
54R76.1Confident81.5Confident254 Ų25498 Ų9896%0.95845%0.448SS*.  trans-60121.4172.9-164177.7-166.8-178.24.3109.5
55I75.3Confident81.3Confident57 Ų5798.5 Ų98.529%0.29246%0.463SS..  trans-88.6129.9-17637.3171.9000110.6L50 R53 I58 L61L50-I55 HydrophobicContact CD2-CD1 4.32Å; R53-I55 PolarHBondContact O-N 3.33Å; I55-I58 HydrophobicContact CD1-CG1 4.12Å; I55-L61 HydrophobicContact CG2-CD1 3.39Å
56R76.6Confident81.1Confident263 Ų263100.3 Ų100.399%0.99248%0.477SS*.SBendtrans-77.2-39.8175.1-117.2-173.5-99.4-156.6-3.8111.9
57S77.6Confident81.2Confident63 Ų63101 Ų10144%0.44148%0.48SS..  trans-148.7134177.71750000110.1S59S57-S59 VanDerWaalsContact C-N 3.32Å; S57-S59 PolarHBondContact OG-N 2.94Å
58I76.9Confident81.4Confident46 Ų4699.4 Ų99.424%0.23647%0.473CS..G310 helixtrans-67.7-36.8178.4-63.5156000110.2I26 L50 I55 K60 L61 V62I26-I58 HydrophobicContact CG2-CG2 3.9Å; L50-I58 HydrophobicContact CD2-CG2 4.08Å; I55-I58 HydrophobicContact CD1-CG1 4.12Å; I58-K60 PolarHBondContact O-N 3.21Å; I58-K60 VanDerWaalsContact O-N 3.08Å; I58-L61 PolarHBondContact O-N 3.16Å; I58-V62 PolarHBondContact O-N 3.34Å; I58-V62 VanDerWaalsContact O-N 3.16Å
59S77Confident81.6Confident86 Ų8696.4 Ų96.460%0.60145%0.449SS*.G310 helixtrans-62.1-20.7-175.7-46.50000114.2S57S57-S59 VanDerWaalsContact C-N 3.32Å; S57-S59 PolarHBondContact OG-N 2.94Å
60K78.8Confident81.9Confident197 Ų19794.6 Ų94.686%0.85744%0.44SS*.G310 helixtrans-78-29.9177.4-169.8169-176.2171.10112.7I58I58-K60 PolarHBondContact O-N 3.21Å; I58-K60 VanDerWaalsContact O-N 3.08Å
61L78.4Confident82.3Confident61 Ų6194.9 Ų94.932%0.31944%0.442SS..THydrogen-bonded Turntrans-94.5-27.9-177.1-73.9174.9000113.1L50 I55 I58 K86L50-L61 HydrophobicContact CD2-CB 4.24Å; L50-L61 HydrophobicContact CD2-CD1 4.18Å; L50-L61 HydrophobicContact CG-CD1 4.46Å; I55-L61 HydrophobicContact CG2-CD1 3.39Å; I58-L61 PolarHBondContact O-N 3.16Å; L61-K86 PolarHBondContact O-NZ 2.96Å
62V78.9Confident82.8Confident1 Ų193 Ų931%0.00643%0.429CS..  trans-138.7118.4-173.8-174.60000108V23 I26 L50 I58V23-V62 HydrophobicContact CB-CG1 3.88Å; V23-V62 HydrophobicContact CG1-CG1 3.62Å; V23-V62 HydrophobicContact CG2-CG1 3.23Å; I26-V62 HydrophobicContact CD1-CG1 4.47Å; L50-V62 HydrophobicContact CD1-CG2 3.62Å; L50-V62 HydrophobicContact CD2-CG2 3.91Å; L50-V62 HydrophobicContact CG-CG2 3.99Å; I58-V62 PolarHBondContact O-N 3.34Å; I58-V62 VanDerWaalsContact O-N 3.16Å
63R84.8Confident83.4Confident193 Ų19386.7 Ų86.773%0.72841%0.411SS*.  trans-112.2138.2177.2-170.7174-176169.91.1108.5G65 S66R63-G65 PolarHBondContact O-N 3.16Å; R63-S66 WeakPolarHBondContact O-CB 3.35Å; R63-S66 PolarHBondContact O-N 2.91Å
64I89Confident83.8Confident110 Ų11083.8 Ų83.856%0.56440%0.4SS*.THydrogen-bonded Turntrans-58.4132.7175.1-61.2167.4000108.5K24 I26 S66K24-I64 WeakPolarHBondContact O-CG2 3.48Å; I26-I64 HydrophobicContact CD1-CG1 4Å; I26-I64 HydrophobicContact CG1-CG1 4.17Å; I64-S66 PolarHBondContact O-N 3.29Å
65G87.3Confident84.4Confident52 Ų5273.4 Ų73.454%0.53636%0.364SS..THydrogen-bonded Turntrans78.2-1.4-176.500000115V23 R63V23-G65 PolarHBondContact O-N 3.01Å; R63-G65 PolarHBondContact O-N 3.16Å
66S88.1Confident85Confident40 Ų4073.3 Ų73.328%0.2837%0.365SS..  trans-82.7140.4173.6124.20000110.8V23 R63 I64V23-S66 PolarHBondContact N-O 2.98Å; R63-S66 WeakPolarHBondContact O-CB 3.35Å; R63-S66 PolarHBondContact O-N 2.91Å; I64-S66 PolarHBondContact O-N 3.29Å
67N89.6Confident85.3Confident83 Ų8365.1 Ų65.144%0.44435%0.348SS..EExtended strand (participates in β ladder)trans-76.6135.7167.8-64.51.5000108.7L20 V21 T22L20-N67 HydrophobicContact CD2-CB 3.82Å; V21-N67 CarbonylContact O-C 3.58Å; V21-N67 VanDerWaalsContact O-CA 3.3Å; V21-N67 WeakPolarHBondContact O-CA 3.47Å; T22-N67 PolarHBondContact OG1-OD1 3.03Å
68T87.4Confident85.5Confident5 Ų566.6 Ų66.63%0.03136%0.364CS..EExtended strand (participates in β ladder)trans-137.8144.9176.6-600000108.8V21 V70 K86V21-T68 WeakPolarHBondContact CG2-O 3.47Å; V21-T68 PolarHBondContact N-O 2.91Å; V21-T68 PolarHBondContact O-N 3.1Å; T68-V70 HydrophobicContact CG2-CG1 4.19Å; T68-K86 HydrophobicContact CG2-CD 3.78Å; T68-K86 HydrophobicContact CG2-CG 4.37Å
69E89Confident85.6Confident33 Ų3371.7 Ų71.715%0.15438%0.384CS..EExtended strand (participates in β ladder)trans-93.4131176.6-44.282179.200109.2L20 I94 K98L20-E69 HydrophobicContact CD1-CG 4.02Å; L20-E69 HydrophobicContact CG-CG 4.31Å; E69-I94 HydrophobicContact CB-CG1 4.19Å; E69-I94 HydrophobicContact CB-CG2 4.25Å; E69-I94 HydrophobicContact CG-CG2 3.91Å; E69-K98 WeakPolarHBondContact OE1-CE 3.23Å; E69-K98 IonicContact OE1-NZ 3.25Å; E69-K98 PolarHBondContact OE1-NZ 3.21Å
70V89.6Confident85.7Confident0 Ų068.7 Ų68.70%037%0.367CS..EExtended strand (participates in β ladder)trans-141.7149.1-174.3-66.40000110.6V18 V19 V21 I45 T68 L84 K86V18-V70 WeakPolarHBondContact CA-O 3.35Å; V19-V70 HydrophobicContact CG2-CG2 4.02Å; V19-V70 PolarHBondContact N-O 3.49Å; V19-V70 PolarHBondContact O-N 3.06Å; V21-V70 HydrophobicContact CB-CG2 4.19Å; V21-V70 HydrophobicContact CG1-CG2 3.52Å; V21-V70 HydrophobicContact CG2-CB 4.45Å; V21-V70 HydrophobicContact CG2-CG1 3.99Å; V21-V70 HydrophobicContact CG2-CG2 3.57Å; I45-V70 HydrophobicContact CD1-CG1 3.81Å; I45-V70 HydrophobicContact CG1-CG1 4.45Å; T68-V70 HydrophobicContact CG2-CG1 4.19Å; V70-L84 HydrophobicContact CB-CB 4.3Å; V70-L84 HydrophobicContact CG2-CB 4.15Å; V70-L84 HydrophobicContact CG2-CD1 4.07Å; V70-L84 HydrophobicContact CG2-CD2 3.95Å; V70-L84 HydrophobicContact CG2-CG 4.28Å; V70-K86 HydrophobicContact CG1-CB 4.34Å
71T90.9Very high86Confident11 Ų1166.3 Ų66.37%0.06735%0.354CS..EExtended strand (participates in β ladder)trans-92.7137.7174.3-46.10000109.9G16 D17 V18 V73 L84 S85 A89G16-T71 WeakPolarHBondContact O-CG2 3.3Å; D17-T71 CarbonylContact O-C 3.6Å; D17-T71 WeakPolarHBondContact O-CA 3.47Å; V18-T71 HydrophobicContact CG2-CG2 4.32Å; T71-V73 PolarHBondContact O-N 3.39Å; T71-L84 CarbonylContact O-C 3.53Å; T71-L84 WeakPolarHBondContact O-CA 3.03Å; T71-S85 PolarHBondContact N-O 2.8Å; T71-S85 PolarHBondContact O-N 2.69Å; T71-A89 PolarHBondContact OG1-N 3.42Å
72V90.5Very high86.5Confident2 Ų263.5 Ų63.51%0.01234%0.339CS..EExtended strand (participates in β ladder)trans-75.7121.3174.1-178.70000109.7P13 G16 D17 V19 V75 I82 L84P13-V72 HydrophobicContact CB-CG2 3.9Å; P13-V72 HydrophobicContact CG-CG1 4.35Å; P13-V72 HydrophobicContact CG-CG2 3.78Å; G16-V72 WeakPolarHBondContact CA-O 3.38Å; G16-V72 PolarHBondContact N-O 3.49Å; D17-V72 PolarHBondContact O-N 3.24Å; V19-V72 HydrophobicContact CG1-CG2 4.35Å; V19-V72 HydrophobicContact CG2-CG2 3.95Å; V72-V75 HydrophobicContact CG1-CG2 3.39Å; V72-I82 HydrophobicContact CG1-CG2 4.05Å; V72-L84 HydrophobicContact CB-CD2 4.43Å; V72-L84 HydrophobicContact CG2-CD2 3.82Å
73V90.3Very high87.1Confident49 Ų4965 Ų6530%0.29735%0.347SS..EExtended strand (participates in β ladder)trans-95.9-43.7-179.9-178.40000111.1V15 T71 D83 S85V15-V73 VanDerWaalsContact CG1-O 3.23Å; V15-V73 WeakPolarHBondContact CG1-O 3.44Å; T71-V73 PolarHBondContact O-N 3.39Å; V73-D83 PolarHBondContact N-O 3.04Å; V73-S85 VanDerWaalsContact CG2-CB 3.41Å
74R88.8Confident87.4Confident153 Ų15355.9 Ų55.958%0.57731%0.313SS*.EExtended strand (participates in β ladder)trans-150.2141-178.8-167.9176.865.8175.62.3109.9D83R74-D83 HydrophobicContact CB-CB 4.13Å; R74-D83 IonicContact CZ-OD2 3.3Å; R74-D83 VanDerWaalsContact CZ-OD2 3.3Å; R74-D83 PolarHBondContact N-O 2.75Å; R74-D83 IonicContact NE-OD2 3.02Å; R74-D83 PolarHBondContact NE-OD2 3.02Å; R74-D83 IonicContact NH2-OD2 2.84Å; R74-D83 PolarHBondContact NH2-OD2 2.99Å; R74-D83 PolarHBondContact O-N 2.83Å
75V88.3Confident87.4Confident36 Ų3650.6 Ų50.622%0.21829%0.286CS..EExtended strand (participates in β ladder)trans-122.8122.5174.9-178.50000107.7F12 P13 V15 V72 I82F12-V75 HydrophobicContact CB-CG1 3.9Å; F12-V75 HydrophobicContact CD1-CG1 4.32Å; F12-V75 HydrophobicContact CG-CG1 4.2Å; P13-V75 WeakPolarHBondContact O-CG2 3.34Å; V15-V75 HydrophobicContact CG2-CG2 4.44Å; V72-V75 HydrophobicContact CG1-CG2 3.39Å; V75-I82 HydrophobicContact CG2-CG2 4.36Å
76D88.4Confident87.3Confident56 Ų5651 Ų5130%0.29927%0.272SS..EExtended strand (participates in β ladder)trans-102.799.2168.9-171.7-26.1000108A78 K79 G80 Y81D76-A78 PolarHBondContact O-N 3.35Å; D76-A78 PolarHBondContact OD1-N 3.49Å; D76-A78 VanDerWaalsContact OD1-N 3.12Å; D76-K79 PolarHBondContact OD1-N 2.87Å; D76-G80 WeakPolarHBondContact O-CA 3.29Å; D76-G80 PolarHBondContact O-N 3.24Å; D76-Y81 PolarHBondContact N-O 2.96Å; D76-Y81 PolarHBondContact O-N 2.99Å
77S81.3Confident87.1Confident90 Ų9054.4 Ų54.463%0.62928%0.279SS*.THydrogen-bonded Turntrans-69-20.5-177.849.90000113.6
78A82.4Confident86.5Confident94 Ų9456.8 Ų56.878%0.77728%0.282SS*.THydrogen-bonded Turntrans-79.3-37.8179.500000111.7D76D76-A78 PolarHBondContact O-N 3.35Å; D76-A78 PolarHBondContact OD1-N 3.49Å; D76-A78 VanDerWaalsContact OD1-N 3.12Å
79K79.5Confident86Confident153 Ų15357.4 Ų57.467%0.66529%0.288SS*.THydrogen-bonded Turntrans-101.2-11.8-178.8-65.2-179179.1175.50113.9D76 Y81D76-K79 PolarHBondContact OD1-N 2.87Å; K79-Y81 VanDerWaalsContact C-N 3.26Å; K79-Y81 HydrophobicContact CB-CD2 3.38Å; K79-Y81 HydrophobicContact CB-CE2 3.73Å; K79-Y81 HydrophobicContact CB-CG 4.38Å; K79-Y81 HydrophobicContact CD-CD2 3.97Å; K79-Y81 HydrophobicContact CD-CE2 4.01Å; K79-Y81 HydrophobicContact CG-CD2 4.31Å; K79-Y81 HydrophobicContact CG-CE2 4.42Å; K79-Y81 PolarHBondContact O-N 2.97Å
80G78.5Confident85.6Confident24 Ų2458.2 Ų58.225%0.24730%0.297CS..THydrogen-bonded Turntrans70.420-17500000113.6D76D76-G80 WeakPolarHBondContact O-CA 3.29Å; D76-G80 PolarHBondContact O-N 3.24Å
81Y84.9Confident85.4Confident146 Ų14662.1 Ų62.157%0.57333%0.329SS*.EExtended strand (participates in β ladder)trans-86.5127.3176.5-71.2-62000110.5D76 K79D76-Y81 PolarHBondContact N-O 2.96Å; D76-Y81 PolarHBondContact O-N 2.99Å; K79-Y81 VanDerWaalsContact C-N 3.26Å; K79-Y81 HydrophobicContact CB-CD2 3.38Å; K79-Y81 HydrophobicContact CB-CE2 3.73Å; K79-Y81 HydrophobicContact CB-CG 4.38Å; K79-Y81 HydrophobicContact CD-CD2 3.97Å; K79-Y81 HydrophobicContact CD-CE2 4.01Å; K79-Y81 HydrophobicContact CG-CD2 4.31Å; K79-Y81 HydrophobicContact CG-CE2 4.42Å; K79-Y81 PolarHBondContact O-N 2.97Å
82I89.5Confident85.2Confident2 Ų268.5 Ų68.51%0.0136%0.358CS..EExtended strand (participates in β ladder)trans-118.2114.2177-53.5174000108F12 P13 L35 I41 G43 M44 V72 V75 L84F12-I82 HydrophobicContact CD1-CD1 4.33Å; P13-I82 HydrophobicContact CG-CD1 4.29Å; L35-I82 HydrophobicContact CD1-CD1 4.22Å; L35-I82 HydrophobicContact CD2-CD1 3.92Å; I41-I82 HydrophobicContact CG2-CD1 3.77Å; G43-I82 WeakPolarHBondContact CA-O 3.45Å; M44-I82 PolarHBondContact N-O 2.62Å; V72-I82 HydrophobicContact CG1-CG2 4.05Å; V75-I82 HydrophobicContact CG2-CG2 4.36Å; I82-L84 HydrophobicContact CG2-CD2 3.69Å; I82-L84 HydrophobicContact CG2-CG 4.06Å
83D91.2Very high84.9Confident32 Ų3272.3 Ų72.317%0.17138%0.376CS..EExtended strand (participates in β ladder)trans-87.8125.6174.2-68-51.8000109.2V73 R74V73-D83 PolarHBondContact N-O 3.04Å; R74-D83 HydrophobicContact CB-CB 4.13Å; R74-D83 IonicContact CZ-OD2 3.3Å; R74-D83 VanDerWaalsContact CZ-OD2 3.3Å; R74-D83 PolarHBondContact N-O 2.75Å; R74-D83 IonicContact NE-OD2 3.02Å; R74-D83 PolarHBondContact NE-OD2 3.02Å; R74-D83 IonicContact NH2-OD2 2.84Å; R74-D83 PolarHBondContact NH2-OD2 2.99Å; R74-D83 PolarHBondContact O-N 2.83Å
84L91.1Very high84.6Confident2 Ų272 Ų721%0.0137%0.372CS..EExtended strand (participates in β ladder)trans-120.2150.2-172.2-61.7167.8000111.2V19 V21 V33 L35 M44 I45 V70 T71 V72 I82V19-L84 HydrophobicContact CG2-CD2 4.32Å; V21-L84 HydrophobicContact CG1-CD1 4.08Å; V33-L84 HydrophobicContact CG2-CD1 3.25Å; L35-L84 HydrophobicContact CD1-CD1 4.09Å; M44-L84 PolarHBondContact O-N 3.09Å; I45-L84 HydrophobicContact CG1-CB 3.69Å; I45-L84 HydrophobicContact CG1-CD1 4.26Å; V70-L84 HydrophobicContact CB-CB 4.3Å; V70-L84 HydrophobicContact CG2-CB 4.15Å; V70-L84 HydrophobicContact CG2-CD1 4.07Å; V70-L84 HydrophobicContact CG2-CD2 3.95Å; V70-L84 HydrophobicContact CG2-CG 4.28Å; T71-L84 CarbonylContact O-C 3.53Å; T71-L84 WeakPolarHBondContact O-CA 3.03Å; V72-L84 HydrophobicContact CB-CD2 4.43Å; V72-L84 HydrophobicContact CG2-CD2 3.82Å; I82-L84 HydrophobicContact CG2-CD2 3.69Å; I82-L84 HydrophobicContact CG2-CG 4.06Å
85S90Very high84.6Confident0 Ų067.4 Ų67.40%037%0.367CS..EExtended strand (participates in β ladder)trans-135130.8178176.50000112.2E49 T71 V73 R87E49-S85 PolarHBondContact O-OG 2.86Å; E49-S85 VanDerWaalsContact OE2-CB 3.28Å; E49-S85 WeakPolarHBondContact OE2-CB 3.08Å; E49-S85 PolarHBondContact OE2-OG 3.13Å; T71-S85 PolarHBondContact N-O 2.8Å; T71-S85 PolarHBondContact O-N 2.69Å; V73-S85 VanDerWaalsContact CG2-CB 3.41Å; S85-R87 PolarHBondContact OG-N 3.43Å
86K85Confident84.5Confident59 Ų5972.5 Ų72.526%0.25739%0.386SS..SBendtrans-87.1-23.8171.9-171.4173.3-176.9163.70111.7E49 L61 T68 V70 R88E49-K86 PolarHBondContact O-N 2.94Å; L61-K86 PolarHBondContact O-NZ 2.96Å; T68-K86 HydrophobicContact CG2-CD 3.78Å; T68-K86 HydrophobicContact CG2-CG 4.37Å; V70-K86 HydrophobicContact CG1-CB 4.34Å; K86-R88 VanDerWaalsContact C-N 3.33Å; K86-R88 PolarHBondContact O-N 3.41Å
87R83Confident84.3Confident113 Ų11370 Ų7043%0.42637%0.374SS..SBendtrans-69.1-27.2-174.9150.2177.4162.2170.2-7.2114E49 R52 S85E49-R87 PolarHBondContact O-N 3.39Å; E49-R87 VanDerWaalsContact O-N 3.11Å; R52-R87 HydrophobicContact CG-CB 4.29Å; R52-R87 HydrophobicContact CG-CG 3.53Å; R52-R87 PolarHBondContact NE-O 3.41Å; R52-R87 PolarHBondContact NH2-O 2.98Å; R52-R87 VanDerWaalsContact NH2-O 3.07Å; S85-R87 PolarHBondContact OG-N 3.43Å
88R77.8Confident84.5Confident133 Ų13370.8 Ų70.850%0.50237%0.365SS..SBendtrans-88.8-17.3-173.6-66.1-179.1-172.5-123.53.6113.6E49 K86 S90E49-R88 IonicContact OE1-NH2 2.93Å; K86-R88 VanDerWaalsContact C-N 3.33Å; K86-R88 PolarHBondContact O-N 3.41Å; R88-S90 PolarHBondContact O-N 3.05Å
89A76.5Confident84.8Confident18 Ų1871.4 Ų71.415%0.14935%0.352CS..  trans-71120.6-17900000111.4T71 I94T71-A89 PolarHBondContact OG1-N 3.42Å; A89-I94 HydrophobicContact CB-CD1 3.94Å; A89-I94 HydrophobicContact CB-CG1 3.87Å
90S80.9Confident85Confident49 Ų4965.8 Ų65.834%0.34333%0.327SS..  trans-81.4156.1169.466.30000111.2R88 E92 E93 I94R88-S90 PolarHBondContact O-N 3.05Å; S90-E92 PolarHBondContact O-N 2.94Å; S90-E93 WeakPolarHBondContact CB-OE2 3.38Å; S90-E93 PolarHBondContact N-OE2 2.71Å; S90-E93 PolarHBondContact O-N 3.49Å; S90-E93 WeakPolarHBondContact OG-CB 3.36Å; S90-E93 WeakPolarHBondContact OG-CG 3.31Å; S90-E93 PolarHBondContact OG-N 3.36Å; S90-E93 PolarHBondContact OG-OE2 3.49Å; S90-I94 WeakPolarHBondContact O-CD1 3.23Å; S90-I94 VanDerWaalsContact O-CG1 3.22Å; S90-I94 WeakPolarHBondContact O-CG1 3.43Å; S90-I94 PolarHBondContact O-N 2.98Å
91A84.1Confident85.3Confident82 Ų8265.7 Ų65.768%0.67832%0.32SS*.Hα-helixtrans-59.9-34.5179.500000112.7A95A91-A95 PolarHBondContact O-N 3.24Å; A91-A95 VanDerWaalsContact O-N 3.08Å
92E86.8Confident85.4Confident145 Ų14561.5 Ų61.568%0.67832%0.315SS*.Hα-helixtrans-68-43.2176.8-66.1-169.7140.300112.3S90 I94 A95 K96S90-E92 PolarHBondContact O-N 2.94Å; E92-I94 VanDerWaalsContact C-N 3.33Å; E92-A95 PolarHBondContact O-N 3.45Å; E92-K96 WeakPolarHBondContact O-CG 2.94Å; E92-K96 PolarHBondContact O-N 2.98Å
93E84.6Confident85.2Confident82 Ų8263.5 Ų63.538%0.38332%0.324SS..Hα-helixtrans-66.8-37176.8-68.7164.1146.600111.6V18 S90 A95 K96 C97V18-E93 HydrophobicContact CG2-CB 3.98Å; S90-E93 WeakPolarHBondContact CB-OE2 3.38Å; S90-E93 PolarHBondContact N-OE2 2.71Å; S90-E93 PolarHBondContact O-N 3.49Å; S90-E93 WeakPolarHBondContact OG-CB 3.36Å; S90-E93 WeakPolarHBondContact OG-CG 3.31Å; S90-E93 PolarHBondContact OG-N 3.36Å; S90-E93 PolarHBondContact OG-OE2 3.49Å; E93-A95 VanDerWaalsContact C-N 3.33Å; E93-A95 PolarHBondContact O-N 3.42Å; E93-K96 PolarHBondContact O-N 3.21Å; E93-C97 VanDerWaalsContact O-CB 3.24Å; E93-C97 WeakPolarHBondContact O-CB 3.28Å; E93-C97 PolarHBondContact O-N 3.43Å
94I85Confident84.8Confident42 Ų4262.3 Ų62.322%0.21532%0.319CS..Hα-helixtrans-60.7-44.6174.8-69.6166.2000110.5E69 A89 S90 E92 C97 K98E69-I94 HydrophobicContact CB-CG1 4.19Å; E69-I94 HydrophobicContact CB-CG2 4.25Å; E69-I94 HydrophobicContact CG-CG2 3.91Å; A89-I94 HydrophobicContact CB-CD1 3.94Å; A89-I94 HydrophobicContact CB-CG1 3.87Å; S90-I94 WeakPolarHBondContact O-CD1 3.23Å; S90-I94 VanDerWaalsContact O-CG1 3.22Å; S90-I94 WeakPolarHBondContact O-CG1 3.43Å; S90-I94 PolarHBondContact O-N 2.98Å; E92-I94 VanDerWaalsContact C-N 3.33Å; I94-C97 PolarHBondContact O-N 2.84Å; I94-K98 HydrophobicContact CG2-CD 4.48Å; I94-K98 WeakPolarHBondContact O-CG 3.32Å; I94-K98 PolarHBondContact O-N 3.23Å
95A87.7Confident84.5Confident58 Ų5867.7 Ų67.748%0.47934%0.342SS..Hα-helixtrans-63.3-46.4177.900000111.6A91 E92 E93 C97 K98 E99A91-A95 PolarHBondContact O-N 3.24Å; A91-A95 VanDerWaalsContact O-N 3.08Å; E92-A95 PolarHBondContact O-N 3.45Å; E93-A95 VanDerWaalsContact C-N 3.33Å; E93-A95 PolarHBondContact O-N 3.42Å; A95-C97 VanDerWaalsContact C-N 3.35Å; A95-C97 PolarHBondContact O-N 3.37Å; A95-K98 PolarHBondContact O-N 3.23Å; A95-E99 PolarHBondContact O-N 3.01Å
96K86Confident84.3Confident142 Ų14269.2 Ų69.262%0.61735%0.354SS*.Hα-helixtrans-61.7-41.5176.3-70.8175.3-176.4173.10112.2E92 E93 E99 R100E92-K96 WeakPolarHBondContact O-CG 2.94Å; E92-K96 PolarHBondContact O-N 2.98Å; E93-K96 PolarHBondContact O-N 3.21Å; K96-E99 PolarHBondContact O-N 3.21Å; K96-R100 WeakPolarHBondContact O-CB 3.29Å; K96-R100 PolarHBondContact O-N 2.94Å
97C84.3Confident84.2Confident5 Ų566.6 Ų66.63%0.03434%0.343CS..Hα-helixtrans-63-45.8176.51790000111.2V18 E93 I94 A95 E99 R100 F101V18-C97 VanDerWaalsContact C-SG 3.59Å; V18-C97 HydrophobicContact CB-CB 4.13Å; V18-C97 HydrophobicContact CG1-CB 3.75Å; V18-C97 PolarHBondContact O-SG 3.45Å; E93-C97 VanDerWaalsContact O-CB 3.24Å; E93-C97 WeakPolarHBondContact O-CB 3.28Å; E93-C97 PolarHBondContact O-N 3.43Å; I94-C97 PolarHBondContact O-N 2.84Å; A95-C97 VanDerWaalsContact C-N 3.35Å; A95-C97 PolarHBondContact O-N 3.37Å; C97-E99 VanDerWaalsContact C-N 3.34Å; C97-E99 PolarHBondContact O-N 3.35Å; C97-R100 PolarHBondContact O-N 3.1Å; C97-F101 VanDerWaalsContact O-CB 3.29Å; C97-F101 WeakPolarHBondContact O-CB 3.4Å; C97-F101 PolarHBondContact O-N 3.4Å
98K86.9Confident84.2Confident106 Ų10662.2 Ų62.246%0.46133%0.328SS..Hα-helixtrans-58.9-45.1175.6-78.8-178.7-179.3179.80112.4L20 E69 I94 A95 F101 A102L20-K98 HydrophobicContact CD1-CG 4.15Å; E69-K98 WeakPolarHBondContact OE1-CE 3.23Å; E69-K98 IonicContact OE1-NZ 3.25Å; E69-K98 PolarHBondContact OE1-NZ 3.21Å; I94-K98 HydrophobicContact CG2-CD 4.48Å; I94-K98 WeakPolarHBondContact O-CG 3.32Å; I94-K98 PolarHBondContact O-N 3.23Å; A95-K98 PolarHBondContact O-N 3.23Å; K98-F101 PolarHBondContact O-N 3.39Å; K98-A102 VanDerWaalsContact O-CB 3.31Å; K98-A102 WeakPolarHBondContact O-CB 3.41Å; K98-A102 PolarHBondContact O-N 2.89Å
99E86.7Confident84.5Confident107 Ų10759.1 Ų59.150%0.532%0.319SS..Hα-helixtrans-63.1-46.8178.2-165.9-166.5149.400110.9A95 K96 C97 F101 A102 K103A95-E99 PolarHBondContact O-N 3.01Å; K96-E99 PolarHBondContact O-N 3.21Å; C97-E99 VanDerWaalsContact C-N 3.34Å; C97-E99 PolarHBondContact O-N 3.35Å; E99-F101 PolarHBondContact O-N 3.02Å; E99-A102 PolarHBondContact O-N 2.9Å; E99-K103 WeakPolarHBondContact O-CG 3.32Å; E99-K103 PolarHBondContact O-N 2.94Å; E99-K103 WeakPolarHBondContact OE1-CE 3.48Å; E99-K103 IonicContact OE1-NZ 3.31Å; E99-K103 PolarHBondContact OE1-NZ 3.3Å
100R84.5Confident84.9Confident35 Ų3558.3 Ų58.313%0.13231%0.313CS..Hα-helixtrans-57.4-48.7175.9-172.2-171.777-177.15111.5Y8 D17 V18 E37 K96 C97 K103 A104 A145Y8-R100 PolarHBondContact OH-NE 3.37Å; Y8-R100 VanDerWaalsContact OH-NE 3.16Å; D17-R100 VanDerWaalsContact CG-NH1 3.35Å; D17-R100 IonicContact OD1-NH1 2.68Å; D17-R100 PolarHBondContact OD1-NH1 2.75Å; D17-R100 IonicContact OD2-CZ 2.76Å; D17-R100 IonicContact OD2-NH1 3.46Å; D17-R100 PolarHBondContact OD2-NH1 3.02Å; D17-R100 IonicContact OD2-NH2 2.79Å; V18-R100 PolarHBondContact O-NH2 2.9Å; E37-R100 IonicContact OE1-NE 3Å; E37-R100 IonicContact OE1-NH2 3.89Å; E37-R100 PolarHBondContact OE1-NH2 3.38Å; E37-R100 IonicContact OE2-CZ 2.74Å; E37-R100 IonicContact OE2-NH2 2.56Å; E37-R100 PolarHBondContact OE2-NH2 2.84Å; K96-R100 WeakPolarHBondContact O-CB 3.29Å; K96-R100 PolarHBondContact O-N 2.94Å; C97-R100 PolarHBondContact O-N 3.1Å; R100-K103 PolarHBondContact O-N 2.92Å; R100-A104 WeakPolarHBondContact O-CB 3.18Å; R100-A104 PolarHBondContact O-N 3.27Å; R100-A145 HydrophobicContact CG-CB 3.78Å
101F84.8Confident84.9Confident21 Ų2156 Ų569%0.09230%0.297CS..Hα-helixtrans-62.8-43.1179.5-179.9-103.5000111.4F7 L20 L36 E37 C97 K98 E99 K103 A104 K105F7-F101 HydrophobicContact CE1-CE2 4.33Å; L20-F101 HydrophobicContact CB-CD2 4.1Å; L20-F101 HydrophobicContact CB-CE2 4.4Å; L20-F101 HydrophobicContact CB-CG 4.18Å; L20-F101 HydrophobicContact CD1-CB 4.09Å; L20-F101 HydrophobicContact CD1-CD1 4.14Å; L20-F101 HydrophobicContact CD1-CG 4.11Å; L20-F101 HydrophobicContact CD2-CD1 4.13Å; L20-F101 HydrophobicContact CD2-CE1 4.11Å; L36-F101 HydrophobicContact CB-CE2 3.86Å; L36-F101 HydrophobicContact CB-CZ 4.05Å; L36-F101 HydrophobicContact CD1-CE2 4.4Å; L36-F101 HydrophobicContact CD1-CZ 3.88Å; E37-F101 HydrophobicContact CG-CD2 3.56Å; E37-F101 HydrophobicContact CG-CE2 3.86Å; E37-F101 WeakPolarHBondContact OE1-CD2 3.46Å; C97-F101 VanDerWaalsContact O-CB 3.29Å; C97-F101 WeakPolarHBondContact O-CB 3.4Å; C97-F101 PolarHBondContact O-N 3.4Å; K98-F101 PolarHBondContact O-N 3.39Å; E99-F101 PolarHBondContact O-N 3.02Å; F101-K103 PolarHBondContact O-N 3.49Å; F101-A104 PolarHBondContact O-N 3.01Å; F101-K105 HydrophobicContact CE1-CD 3.98Å; F101-K105 HydrophobicContact CZ-CD 4.3Å; F101-K105 WeakPolarHBondContact O-CB 3.1Å; F101-K105 PolarHBondContact O-N 3.45Å
102A86.6Confident84.8Confident59 Ų5954.6 Ų54.649%0.48827%0.274SS..Hα-helixtrans-61.7-44.6177.600000111.7K98 E99 K105 A106K98-A102 VanDerWaalsContact O-CB 3.31Å; K98-A102 WeakPolarHBondContact O-CB 3.41Å; K98-A102 PolarHBondContact O-N 2.89Å; E99-A102 PolarHBondContact O-N 2.9Å; A102-K105 PolarHBondContact O-N 3.49Å; A102-A106 PolarHBondContact O-N 3.41Å
103K85.1Confident84.6Confident44 Ų4449.2 Ų49.219%0.19125%0.25CC..Hα-helixtrans-60.4-50.8175.2-72.5-178.2-176.11750111.6E99 R100 F101 K105 A106 V107 A145 Y148 D149E99-K103 WeakPolarHBondContact O-CG 3.32Å; E99-K103 PolarHBondContact O-N 2.94Å; E99-K103 WeakPolarHBondContact OE1-CE 3.48Å; E99-K103 IonicContact OE1-NZ 3.31Å; E99-K103 PolarHBondContact OE1-NZ 3.3Å; R100-K103 PolarHBondContact O-N 2.92Å; F101-K103 PolarHBondContact O-N 3.49Å; K103-K105 VanDerWaalsContact C-N 3.33Å; K103-K105 PolarHBondContact O-N 3.29Å; K103-A106 WeakPolarHBondContact O-CB 3.43Å; K103-A106 PolarHBondContact O-N 2.98Å; K103-V107 WeakPolarHBondContact O-CG2 3.38Å; K103-V107 PolarHBondContact O-N 2.93Å; K103-V107 VanDerWaalsContact O-N 3.12Å; K103-A145 HydrophobicContact CB-CB 4.35Å; K103-Y148 HydrophobicContact CB-CD1 4.17Å; K103-Y148 HydrophobicContact CB-CG 3.92Å; K103-Y148 HydrophobicContact CD-CD1 3.92Å; K103-Y148 HydrophobicContact CD-CG 4.41Å; K103-Y148 HydrophobicContact CG-CD1 3.61Å; K103-Y148 HydrophobicContact CG-CE1 4.15Å; K103-Y148 HydrophobicContact CG-CG 3.9Å; K103-D149 IonicContact NZ-OD2 2.65Å
104A83.6Confident84.5Confident7 Ų745.3 Ų45.36%0.05823%0.231CC..Hα-helixtrans-66.9-35.1-178.400000112F7 Y8 R100 F101 V107 N108 A145F7-A104 HydrophobicContact CD1-CB 3.65Å; F7-A104 HydrophobicContact CE1-CB 4.36Å; Y8-A104 HydrophobicContact CE1-CB 4.48Å; R100-A104 WeakPolarHBondContact O-CB 3.18Å; R100-A104 PolarHBondContact O-N 3.27Å; F101-A104 PolarHBondContact O-N 3.01Å; A104-V107 PolarHBondContact O-N 3.28Å; A104-N108 WeakPolarHBondContact O-CB 3.5Å; A104-N108 PolarHBondContact O-N 3.3Å; A104-A145 HydrophobicContact CB-CB 4.06Å
105K85.4Confident84.4Confident115 Ų11543.4 Ų43.450%0.522%0.222SC..Hα-helixtrans-64.8-40.2173.4-175.2179.1178.9-177.70112F7 F101 A102 K103 Q109F7-K105 VanDerWaalsContact CE1-CA 3.47Å; F7-K105 HydrophobicContact CE1-CB 3.99Å; F101-K105 HydrophobicContact CE1-CD 3.98Å; F101-K105 HydrophobicContact CZ-CD 4.3Å; F101-K105 WeakPolarHBondContact O-CB 3.1Å; F101-K105 PolarHBondContact O-N 3.45Å; A102-K105 PolarHBondContact O-N 3.49Å; K103-K105 VanDerWaalsContact C-N 3.33Å; K103-K105 PolarHBondContact O-N 3.29Å; K105-Q109 WeakPolarHBondContact O-CB 3.21Å; K105-Q109 PolarHBondContact O-N 2.89Å
106A84.4Confident84.1Confident31 Ų3145.2 Ų45.226%0.25622%0.22SC..Hα-helixtrans-61.5-46.3174.700000111.1A102 K103 Q109 I110 Y148A102-A106 PolarHBondContact O-N 3.41Å; K103-A106 WeakPolarHBondContact O-CB 3.43Å; K103-A106 PolarHBondContact O-N 2.98Å; A106-Q109 PolarHBondContact O-N 3.33Å; A106-I110 WeakPolarHBondContact O-CD1 3.33Å; A106-I110 VanDerWaalsContact O-CG1 3.27Å; A106-I110 WeakPolarHBondContact O-CG1 3.46Å; A106-I110 PolarHBondContact O-N 3.01Å; A106-Y148 HydrophobicContact CB-CD2 4.09Å; A106-Y148 HydrophobicContact CB-CE2 3.88Å
107V83.2Confident83.8Confident4 Ų443.1 Ų43.12%0.02421%0.211CC..Hα-helixtrans-62.8-48.5177.7177.50000111.5K103 A104 Q109 I110 L111 A134 Y148 F151K103-V107 WeakPolarHBondContact O-CG2 3.38Å; K103-V107 PolarHBondContact O-N 2.93Å; K103-V107 VanDerWaalsContact O-N 3.12Å; A104-V107 PolarHBondContact O-N 3.28Å; V107-Q109 VanDerWaalsContact C-N 3.29Å; V107-Q109 PolarHBondContact O-N 3Å; V107-I110 WeakPolarHBondContact O-CB 3.41Å; V107-I110 PolarHBondContact O-N 2.93Å; V107-I110 VanDerWaalsContact O-N 3.16Å; V107-L111 HydrophobicContact CG1-CD1 3.91Å; V107-L111 WeakPolarHBondContact O-CG 3.29Å; V107-L111 PolarHBondContact O-N 3.3Å; V107-A134 HydrophobicContact CG1-CB 4.13Å; V107-Y148 HydrophobicContact CG2-CD2 4.16Å; V107-F151 HydrophobicContact CG1-CE2 4.2Å; V107-F151 HydrophobicContact CG1-CZ 4.16Å
108N82.8Confident83.5Confident21 Ų2145.2 Ų45.211%0.11222%0.222CC..Hα-helixtrans-61.2-40.2178.1-165.4-33.4000111C5 F7 A104 I110 L111 R112C5-N108 PolarHBondContact O-ND2 2.86Å; F7-N108 HydrophobicContact CD1-CB 4.22Å; F7-N108 WeakPolarHBondContact CD2-ND2 3.41Å; F7-N108 HydrophobicContact CE1-CB 4.02Å; F7-N108 HydrophobicContact CE2-CB 4.4Å; F7-N108 WeakPolarHBondContact CE2-ND2 3.23Å; F7-N108 HydrophobicContact CZ-CB 4.08Å; A104-N108 WeakPolarHBondContact O-CB 3.5Å; A104-N108 PolarHBondContact O-N 3.3Å; N108-I110 VanDerWaalsContact C-N 3.34Å; N108-I110 PolarHBondContact O-N 3.1Å; N108-L111 PolarHBondContact O-N 3.3Å; N108-R112 VanDerWaalsContact O-CB 3.23Å; N108-R112 WeakPolarHBondContact O-CB 3.41Å; N108-R112 PolarHBondContact O-N 3.03Å
109Q85.1Confident82.9Confident68 Ų6846.1 Ų46.132%0.31823%0.232SC..Hα-helixtrans-63.6-37.1176.6-172.361.754.200113K105 A106 V107 N113K105-Q109 WeakPolarHBondContact O-CB 3.21Å; K105-Q109 PolarHBondContact O-N 2.89Å; A106-Q109 PolarHBondContact O-N 3.33Å; V107-Q109 VanDerWaalsContact C-N 3.29Å; V107-Q109 PolarHBondContact O-N 3Å; Q109-N113 WeakPolarHBondContact O-CB 3.49Å; Q109-N113 PolarHBondContact O-N 3.08Å
110I83.6Confident82.2Confident1 Ų144 Ų441%0.00522%0.22CC..Hα-helixtrans-63.5-50.9174.3-66.7158.9000109.5A106 V107 N108 R112 N113 V114 F151 L174 D177 I178 L182A106-I110 WeakPolarHBondContact O-CD1 3.33Å; A106-I110 VanDerWaalsContact O-CG1 3.27Å; A106-I110 WeakPolarHBondContact O-CG1 3.46Å; A106-I110 PolarHBondContact O-N 3.01Å; V107-I110 WeakPolarHBondContact O-CB 3.41Å; V107-I110 PolarHBondContact O-N 2.93Å; V107-I110 VanDerWaalsContact O-N 3.16Å; N108-I110 VanDerWaalsContact C-N 3.34Å; N108-I110 PolarHBondContact O-N 3.1Å; I110-R112 VanDerWaalsContact C-N 3.29Å; I110-R112 PolarHBondContact O-N 2.74Å; I110-N113 WeakPolarHBondContact O-CB 3.25Å; I110-N113 PolarHBondContact O-N 3.06Å; I110-N113 VanDerWaalsContact O-N 3.11Å; I110-V114 WeakPolarHBondContact O-CG2 3.47Å; I110-V114 PolarHBondContact O-N 2.57Å; I110-F151 HydrophobicContact CD1-CD1 4.33Å; I110-F151 HydrophobicContact CG2-CE1 4.43Å; I110-L174 HydrophobicContact CG2-CD1 3.84Å; I110-D177 HydrophobicContact CG2-CB 4.18Å; I110-I178 HydrophobicContact CG2-CG1 4.06Å; I110-L182 HydrophobicContact CD1-CD1 3.5Å; I110-L182 VanDerWaalsContact CD1-CD1 3.5Å; I110-L182 HydrophobicContact CD1-CD2 4.45Å
111L81.2Confident81.4Confident2 Ų251 Ų511%0.0125%0.251CS..Hα-helixtrans-61.9-38.8-179.5-70.2165000112V107 N108 N113 V114 A115 L126 L129 T133 A134 L174V107-L111 HydrophobicContact CG1-CD1 3.91Å; V107-L111 WeakPolarHBondContact O-CG 3.29Å; V107-L111 PolarHBondContact O-N 3.3Å; N108-L111 PolarHBondContact O-N 3.3Å; L111-N113 VanDerWaalsContact C-N 3.35Å; L111-V114 PolarHBondContact O-N 3.29Å; L111-A115 WeakPolarHBondContact O-CB 3.45Å; L111-A115 PolarHBondContact O-N 3.16Å; L111-L126 HydrophobicContact CB-CD1 4.44Å; L111-L129 HydrophobicContact CD2-CD2 3.97Å; L111-L129 HydrophobicContact CD2-CG 4.1Å; L111-T133 HydrophobicContact CD2-CG2 4.44Å; L111-T133 WeakPolarHBondContact CD2-OG1 3.41Å; L111-A134 HydrophobicContact CD1-CB 3.87Å; L111-L174 HydrophobicContact CD2-CD1 4.26Å
112R82.3Confident80.7Confident52 Ų5253.1 Ų53.120%0.19627%0.266CS..Hα-helixtrans-62.6-41.5174.9-168.9171.7-162.8-70.1-27.6111.9I3 N108 I110 A115 E116I3-R112 PolarHBondContact O-NE 3.43Å; N108-R112 VanDerWaalsContact O-CB 3.23Å; N108-R112 WeakPolarHBondContact O-CB 3.41Å; N108-R112 PolarHBondContact O-N 3.03Å; I110-R112 VanDerWaalsContact C-N 3.29Å; I110-R112 PolarHBondContact O-N 2.74Å; R112-A115 PolarHBondContact O-N 3.47Å; R112-E116 IonicContact CZ-OE1 3.95Å; R112-E116 VanDerWaalsContact CZ-OE1 3.25Å; R112-E116 IonicContact NH1-OE1 3.03Å; R112-E116 PolarHBondContact NH1-OE1 3.29Å; R112-E116 IonicContact NH2-OE1 3.76Å; R112-E116 PolarHBondContact NH2-OE1 3.15Å; R112-E116 WeakPolarHBondContact O-CG 3.12Å; R112-E116 PolarHBondContact O-N 2.9Å
113N83.5Confident80Confident32 Ų3253.1 Ų53.117%0.17126%0.258CS..Hα-helixtrans-67.6-41.1177.9-16153.6000111.9Q109 I110 L111 A115 E116 K117 D177Q109-N113 WeakPolarHBondContact O-CB 3.49Å; Q109-N113 PolarHBondContact O-N 3.08Å; I110-N113 WeakPolarHBondContact O-CB 3.25Å; I110-N113 PolarHBondContact O-N 3.06Å; I110-N113 VanDerWaalsContact O-N 3.11Å; L111-N113 VanDerWaalsContact C-N 3.35Å; N113-A115 VanDerWaalsContact C-N 3.31Å; N113-A115 PolarHBondContact O-N 2.9Å; N113-E116 PolarHBondContact O-N 2.8Å; N113-K117 WeakPolarHBondContact O-CG 3.38Å; N113-K117 PolarHBondContact O-N 3.11Å; N113-D177 PolarHBondContact ND2-OD1 2.84Å; N113-D177 PolarHBondContact ND2-OD2 3.16Å
114V82Confident79.4Confident0 Ų058 Ų580%028%0.281CS..Hα-helixtrans-62.8-41.5174.9173.60000110.3I110 L111 K117 L118 L129 T170 M173 L174 D177I110-V114 WeakPolarHBondContact O-CG2 3.47Å; I110-V114 PolarHBondContact O-N 2.57Å; L111-V114 PolarHBondContact O-N 3.29Å; V114-K117 PolarHBondContact O-N 3.11Å; V114-L118 HydrophobicContact CG1-CD1 3.7Å; V114-L118 HydrophobicContact CG1-CG 4.49Å; V114-L118 WeakPolarHBondContact O-CB 3.4Å; V114-L118 WeakPolarHBondContact O-CG 3.34Å; V114-L118 PolarHBondContact O-N 3.49Å; V114-L129 HydrophobicContact CG1-CD2 4.4Å; V114-T170 HydrophobicContact CG1-CG2 4.1Å; V114-M173 HydrophobicContact CG1-CB 4.47Å; V114-L174 HydrophobicContact CG2-CB 4.39Å; V114-L174 HydrophobicContact CG2-CD1 3.88Å; V114-D177 HydrophobicContact CG2-CB 4.19Å
115A81.9Confident78.9Confident2 Ų261.5 Ų61.52%0.01730%0.296CS..Hα-helixtrans-67.6-37.2176.800000113.7L111 R112 N113 L118 D119 Y120 L126L111-A115 WeakPolarHBondContact O-CB 3.45Å; L111-A115 PolarHBondContact O-N 3.16Å; R112-A115 PolarHBondContact O-N 3.47Å; N113-A115 VanDerWaalsContact C-N 3.31Å; N113-A115 PolarHBondContact O-N 2.9Å; A115-L118 PolarHBondContact O-N 3.4Å; A115-D119 PolarHBondContact O-N 3.18Å; A115-Y120 HydrophobicContact CB-CD2 3.84Å; A115-Y120 PolarHBondContact O-N 2.93Å; A115-Y120 VanDerWaalsContact O-N 3.09Å; A115-L126 HydrophobicContact CB-CD1 3.69Å
116E82.1Confident78.3Confident95 Ų9556.1 Ų56.144%0.44427%0.273SS..Hα-helixtrans-64.3-40.7172.7-78.6177.4174.600111.3R112 N113 D119R112-E116 IonicContact CZ-OE1 3.95Å; R112-E116 VanDerWaalsContact CZ-OE1 3.25Å; R112-E116 IonicContact NH1-OE1 3.03Å; R112-E116 PolarHBondContact NH1-OE1 3.29Å; R112-E116 IonicContact NH2-OE1 3.76Å; R112-E116 PolarHBondContact NH2-OE1 3.15Å; R112-E116 WeakPolarHBondContact O-CG 3.12Å; R112-E116 PolarHBondContact O-N 2.9Å; N113-E116 PolarHBondContact O-N 2.8Å; E116-D119 PolarHBondContact O-N 3.48Å
117K80.7Confident77.9Confident98 Ų9856.7 Ų56.743%0.42627%0.27SS..Hα-helixtrans-68.6-31.7176.6-75176.3180169.60113.9N113 V114 M173 D177N113-K117 WeakPolarHBondContact O-CG 3.38Å; N113-K117 PolarHBondContact O-N 3.11Å; V114-K117 PolarHBondContact O-N 3.11Å; K117-M173 HydrophobicContact CD-SD 4.49Å; K117-D177 IonicContact NZ-OD1 3.9Å; K117-D177 PolarHBondContact NZ-OD1 3.2Å; K117-D177 IonicContact NZ-OD2 4Å; K117-D177 PolarHBondContact NZ-OD2 3.45Å
118L76.8Confident77.5Confident50 Ų5061.4 Ų61.426%0.26229%0.292SS..THydrogen-bonded Turntrans-86.55.3177.4-68.1168.3000112.7V114 A115 Y120 T170V114-L118 HydrophobicContact CG1-CD1 3.7Å; V114-L118 HydrophobicContact CG1-CG 4.49Å; V114-L118 WeakPolarHBondContact O-CB 3.4Å; V114-L118 WeakPolarHBondContact O-CG 3.34Å; V114-L118 PolarHBondContact O-N 3.49Å; A115-L118 PolarHBondContact O-N 3.4Å; L118-Y120 HydrophobicContact CB-CD2 4.02Å; L118-Y120 HydrophobicContact CB-CE1 4.4Å; L118-Y120 HydrophobicContact CB-CE2 3.74Å; L118-Y120 HydrophobicContact CB-CG 4.44Å; L118-Y120 HydrophobicContact CD1-CE2 3.62Å; L118-Y120 HydrophobicContact CG-CE2 4.34Å; L118-Y120 PolarHBondContact O-N 2.74Å; L118-Y120 VanDerWaalsContact O-N 3.16Å; L118-T170 HydrophobicContact CD1-CG2 3.74Å; L118-T170 WeakPolarHBondContact CD1-OG1 3.32Å
119D75.1Confident77.1Confident125 Ų12561 Ų6167%0.66829%0.29SS*.THydrogen-bonded Turntrans53.233.6-179.9-91.1-63000113.3A115 E116 K121A115-D119 PolarHBondContact O-N 3.18Å; E116-D119 PolarHBondContact O-N 3.48Å; D119-K121 PolarHBondContact O-N 3.44Å
120Y71.3Confident76.6Confident63 Ų6357.9 Ų57.925%0.24728%0.276CS..  trans-64.8128.4171.8-67.3-43.4000108.9I3 A115 L118 Q125I3-Y120 WeakPolarHBondContact CD1-O 3.42Å; A115-Y120 HydrophobicContact CB-CD2 3.84Å; A115-Y120 PolarHBondContact O-N 2.93Å; A115-Y120 VanDerWaalsContact O-N 3.09Å; L118-Y120 HydrophobicContact CB-CD2 4.02Å; L118-Y120 HydrophobicContact CB-CE1 4.4Å; L118-Y120 HydrophobicContact CB-CE2 3.74Å; L118-Y120 HydrophobicContact CB-CG 4.44Å; L118-Y120 HydrophobicContact CD1-CE2 3.62Å; L118-Y120 HydrophobicContact CG-CE2 4.34Å; L118-Y120 PolarHBondContact O-N 2.74Å; L118-Y120 VanDerWaalsContact O-N 3.16Å; Y120-Q125 HydrophobicContact CD1-CB 4.03Å; Y120-Q125 HydrophobicContact CD1-CG 4.39Å; Y120-Q125 VanDerWaalsContact CD1-OE1 3.3Å; Y120-Q125 HydrophobicContact CG-CB 4.04Å
121K67.7Low76.3Confident181 Ų18165.2 Ų65.279%0.78730%0.303SS*.  trans-105-13.8-176.2-68.5177-175.1175.60113D119D119-K121 PolarHBondContact O-N 3.44Å
122T70.3Confident76Confident65 Ų6569.2 Ų69.240%0.39932%0.32SS..SBendtrans-114.6134.4-171.3-43.20000110.8E124 Q125T122-E124 HydrophobicContact CG2-CB 4.05Å; T122-E124 HydrophobicContact CG2-CG 4.19Å; T122-E124 PolarHBondContact O-N 2.94Å; T122-E124 VanDerWaalsContact O-N 3.15Å; T122-Q125 PolarHBondContact O-N 3.31Å; T122-Q125 VanDerWaalsContact O-N 3.12Å
123D72.4Confident75.6Confident60 Ų6066.7 Ų66.732%0.32131%0.311SS..Hα-helixtrans-51.5-35.5173.8-70.2-3.5000112.5I3 K39 Q125 L126 E127I3-D123 WeakPolarHBondContact CG2-OD1 3.41Å; K39-D123 IonicContact NZ-OD2 2.83Å; K39-D123 PolarHBondContact NZ-OD2 3.37Å; D123-Q125 PolarHBondContact O-N 3.02Å; D123-L126 PolarHBondContact O-N 2.83Å; D123-E127 PolarHBondContact O-N 3.42Å
124E72.3Confident75.2Confident146 Ų14665.5 Ų65.568%0.68231%0.305SS*.Hα-helixtrans-64.8-35.9-178.6-64.1177.7171.300113T122 E127 E128T122-E124 HydrophobicContact CG2-CB 4.05Å; T122-E124 HydrophobicContact CG2-CG 4.19Å; T122-E124 PolarHBondContact O-N 2.94Å; T122-E124 VanDerWaalsContact O-N 3.15Å; E124-E127 PolarHBondContact O-N 2.52Å; E124-E128 WeakPolarHBondContact O-CB 3.39Å; E124-E128 PolarHBondContact O-N 3.05Å
125Q72.8Confident74.9Confident81 Ų8166.1 Ų66.138%0.37931%0.308SS..Hα-helixtrans-69.4-37.6177.9-67.7-179.8-46.100111Y120 T122 D123 E128 L129Y120-Q125 HydrophobicContact CD1-CB 4.03Å; Y120-Q125 HydrophobicContact CD1-CG 4.39Å; Y120-Q125 VanDerWaalsContact CD1-OE1 3.3Å; Y120-Q125 HydrophobicContact CG-CB 4.04Å; T122-Q125 PolarHBondContact O-N 3.31Å; T122-Q125 VanDerWaalsContact O-N 3.12Å; D123-Q125 PolarHBondContact O-N 3.02Å; Q125-E128 PolarHBondContact O-N 2.98Å; Q125-L129 WeakPolarHBondContact O-CB 3.21Å; Q125-L129 PolarHBondContact O-N 3.34Å
126L72.9Confident74.6Confident1 Ų170.7 Ų70.71%0.00533%0.325CS..Hα-helixtrans-69.4-39173.8-177.364.5000111.2I3 C5 L111 A115 D123 E128 L129 C130I3-L126 HydrophobicContact CB-CD2 4.23Å; I3-L126 HydrophobicContact CG2-CB 3.91Å; I3-L126 HydrophobicContact CG2-CD2 3.48Å; I3-L126 VanDerWaalsContact CG2-CD2 3.48Å; I3-L126 HydrophobicContact CG2-CG 4.34Å; C5-L126 HydrophobicContact CB-CD2 3.51Å; C5-L126 HydrophobicContact CB-CG 3.73Å; L111-L126 HydrophobicContact CB-CD1 4.44Å; A115-L126 HydrophobicContact CB-CD1 3.69Å; D123-L126 PolarHBondContact O-N 2.83Å; L126-E128 VanDerWaalsContact C-N 3.35Å; L126-L129 PolarHBondContact O-N 3.08Å; L126-C130 WeakPolarHBondContact O-CB 3.21Å; L126-C130 PolarHBondContact O-N 3.31Å; L126-C130 PolarHBondContact O-SG 2.65Å
127E75.4Confident74Confident43 Ų4366.1 Ų66.120%0.20130%0.304CS..Hα-helixtrans-62.8-41.1173.3-77.4-163.916400111.8R6 D123 E124 C130 R131R6-E127 IonicContact CZ-OE1 3.21Å; R6-E127 VanDerWaalsContact CZ-OE1 3.29Å; R6-E127 IonicContact CZ-OE2 2.9Å; R6-E127 IonicContact NE-OE1 2.65Å; R6-E127 PolarHBondContact NE-OE1 2.85Å; R6-E127 VanDerWaalsContact NH2-CD 3.25Å; R6-E127 IonicContact NH2-OE1 2.8Å; R6-E127 PolarHBondContact NH2-OE1 3.28Å; R6-E127 IonicContact NH2-OE2 3.4Å; R6-E127 PolarHBondContact NH2-OE2 2.77Å; D123-E127 PolarHBondContact O-N 3.42Å; E124-E127 PolarHBondContact O-N 2.52Å; E127-C130 PolarHBondContact O-N 3.17Å; E127-R131 VanDerWaalsContact O-CB 3.31Å; E127-R131 WeakPolarHBondContact O-CB 3.42Å; E127-R131 PolarHBondContact O-N 2.98Å
128E75.4Confident73.6Confident103 Ų10362.5 Ų62.548%0.48129%0.289SS..Hα-helixtrans-65.4-41176.8-163.6-178.816600111.7E124 Q125 L126 R131 K132E124-E128 WeakPolarHBondContact O-CB 3.39Å; E124-E128 PolarHBondContact O-N 3.05Å; Q125-E128 PolarHBondContact O-N 2.98Å; L126-E128 VanDerWaalsContact C-N 3.35Å; E128-R131 WeakPolarHBondContact O-CB 3.46Å; E128-R131 PolarHBondContact O-N 2.77Å; E128-K132 HydrophobicContact CG-CD 4.49Å; E128-K132 WeakPolarHBondContact O-CG 3.39Å; E128-K132 PolarHBondContact O-N 3.32Å; E128-K132 VanDerWaalsContact OE1-CE 3.26Å; E128-K132 WeakPolarHBondContact OE1-CE 2.94Å; E128-K132 IonicContact OE1-NZ 2.93Å; E128-K132 PolarHBondContact OE1-NZ 3.28Å
129L74.5Confident73.3Confident13 Ų1367.7 Ų67.77%0.06831%0.305CS..Hα-helixtrans-62.9-44.9173.7-174.269.7000111.5L111 V114 Q125 L126 R131 K132 T133 T170L111-L129 HydrophobicContact CD2-CD2 3.97Å; L111-L129 HydrophobicContact CD2-CG 4.1Å; V114-L129 HydrophobicContact CG1-CD2 4.4Å; Q125-L129 WeakPolarHBondContact O-CB 3.21Å; Q125-L129 PolarHBondContact O-N 3.34Å; L126-L129 PolarHBondContact O-N 3.08Å; L129-R131 VanDerWaalsContact C-N 3.29Å; L129-R131 PolarHBondContact O-N 3.05Å; L129-K132 PolarHBondContact O-N 3.01Å; L129-T133 HydrophobicContact CD1-CG2 4.37Å; L129-T133 WeakPolarHBondContact O-CB 3.47Å; L129-T133 PolarHBondContact O-N 3.23Å; L129-T133 PolarHBondContact O-OG1 2.97Å; L129-T170 HydrophobicContact CD1-CG2 3.72Å
130C75.1Confident73.1Confident3 Ų367.1 Ų67.12%0.0230%0.297CS..Hα-helixtrans-61.4-38.7175.4-74.20000111.5L126 E127 T133 A134 W135L126-C130 WeakPolarHBondContact O-CB 3.21Å; L126-C130 PolarHBondContact O-N 3.31Å; L126-C130 PolarHBondContact O-SG 2.65Å; E127-C130 PolarHBondContact O-N 3.17Å; C130-T133 CarbonylContact O-C 3.56Å; C130-A134 PolarHBondContact O-N 3.46Å; C130-W135 HydrophobicContact CB-CZ2 4.12Å; C130-W135 PolarHBondContact O-N 2.99Å
131R76.4Confident72.8Confident154 Ų15466.8 Ų66.858%0.58130%0.301SS*.Iπ-helixtrans-64.4-45.4177.3-171.4176.8-141174.55.8111.7E127 E128 L129 W135 Y136E127-R131 VanDerWaalsContact O-CB 3.31Å; E127-R131 WeakPolarHBondContact O-CB 3.42Å; E127-R131 PolarHBondContact O-N 2.98Å; E128-R131 WeakPolarHBondContact O-CB 3.46Å; E128-R131 PolarHBondContact O-N 2.77Å; L129-R131 VanDerWaalsContact C-N 3.29Å; L129-R131 PolarHBondContact O-N 3.05Å; R131-W135 HydrophobicContact CB-CD2 4.45Å; R131-W135 HydrophobicContact CB-CE3 3.63Å; R131-W135 HydrophobicContact CB-CZ3 3.85Å; R131-W135 HydrophobicContact CG-CE3 3.81Å; R131-W135 HydrophobicContact CG-CZ3 4.18Å; R131-Y136 PolarHBondContact O-N 3.09Å
132K75.4Confident72.4Confident86 Ų8661.4 Ų61.437%0.37430%0.297SS..Iπ-helixtrans-71.4-33.4179.9-71177.9-176.5169.70112.9E128 L129 Y136 C164 I166E128-K132 HydrophobicContact CG-CD 4.49Å; E128-K132 WeakPolarHBondContact O-CG 3.39Å; E128-K132 PolarHBondContact O-N 3.32Å; E128-K132 VanDerWaalsContact OE1-CE 3.26Å; E128-K132 WeakPolarHBondContact OE1-CE 2.94Å; E128-K132 IonicContact OE1-NZ 2.93Å; E128-K132 PolarHBondContact OE1-NZ 3.28Å; L129-K132 PolarHBondContact O-N 3.01Å; K132-Y136 WeakPolarHBondContact O-CB 3.45Å; K132-C164 PolarHBondContact O-SG 3.46Å; K132-C164 VanDerWaalsContact O-SG 3.37Å; K132-I166 HydrophobicContact CB-CD1 4.22Å; K132-I166 HydrophobicContact CB-CG1 4.12Å
133T74.9Confident72Confident0 Ų067.4 Ų67.40%031%0.313CS..Iπ-helixtrans-99.5-84-179.7560000112.1L111 L129 C130 W135 Y136 F137 I166 L174L111-T133 HydrophobicContact CD2-CG2 4.44Å; L111-T133 WeakPolarHBondContact CD2-OG1 3.41Å; L129-T133 HydrophobicContact CD1-CG2 4.37Å; L129-T133 WeakPolarHBondContact O-CB 3.47Å; L129-T133 PolarHBondContact O-N 3.23Å; L129-T133 PolarHBondContact O-OG1 2.97Å; C130-T133 CarbonylContact O-C 3.56Å; T133-W135 PolarHBondContact O-N 2.96Å; T133-Y136 PolarHBondContact O-N 3.35Å; T133-F137 WeakPolarHBondContact O-CD2 3.27Å; T133-F137 WeakPolarHBondContact O-CG 3.23Å; T133-F137 PolarHBondContact O-N 3.27Å; T133-I166 HydrophobicContact CG2-CD1 3.07Å; T133-L174 HydrophobicContact CG2-CD2 4.18Å
134A74.5Confident71.4Confident6 Ų667.7 Ų67.75%0.0531%0.309CS..Iπ-helixtrans-60-45.5-167.400000112.8V107 L111 C130 F137 D138V107-A134 HydrophobicContact CG1-CB 4.13Å; L111-A134 HydrophobicContact CD1-CB 3.87Å; C130-A134 PolarHBondContact O-N 3.46Å; A134-F137 PolarHBondContact O-N 3.43Å; A134-D138 WeakPolarHBondContact O-CB 3.41Å; A134-D138 PolarHBondContact O-N 3.32Å
135W75.4Confident70.9Confident13 Ų1361 Ų615%0.04928%0.279CS..Iπ-helixtrans-76.1-32.7-177.4-55.9-16000112.3R6 F7 E9 C130 R131 T133 F137 D138 R139R6-W135 HydrophobicContact CG-CH2 4.1Å; R6-W135 HydrophobicContact CG-CZ2 3.58Å; F7-W135 PolarHBondContact O-NE1 3.18Å; E9-W135 HydrophobicContact CB-CB 4.35Å; E9-W135 HydrophobicContact CB-CD2 3.73Å; E9-W135 HydrophobicContact CB-CE3 3.84Å; E9-W135 HydrophobicContact CB-CG 3.94Å; E9-W135 HydrophobicContact CG-CD2 4.26Å; E9-W135 HydrophobicContact CG-CE3 3.83Å; E9-W135 HydrophobicContact CG-CZ3 4.3Å; C130-W135 HydrophobicContact CB-CZ2 4.12Å; C130-W135 PolarHBondContact O-N 2.99Å; R131-W135 HydrophobicContact CB-CD2 4.45Å; R131-W135 HydrophobicContact CB-CE3 3.63Å; R131-W135 HydrophobicContact CB-CZ3 3.85Å; R131-W135 HydrophobicContact CG-CE3 3.81Å; R131-W135 HydrophobicContact CG-CZ3 4.18Å; T133-W135 PolarHBondContact O-N 2.96Å; W135-F137 VanDerWaalsContact C-N 3.32Å; W135-D138 PolarHBondContact O-N 2.84Å; W135-R139 WeakPolarHBondContact O-CB 3.35Å; W135-R139 VanDerWaalsContact O-CG 3.27Å; W135-R139 WeakPolarHBondContact O-CG 3.49Å; W135-R139 PolarHBondContact O-N 2.92Å
136Y74.4Confident70.5Confident98 Ų9857.2 Ų57.238%0.38426%0.262SS..Hα-helixtrans-59.2-46.7170.5-178.6-99000110.8R131 K132 T133 R139 K140R131-Y136 PolarHBondContact O-N 3.09Å; K132-Y136 WeakPolarHBondContact O-CB 3.45Å; T133-Y136 PolarHBondContact O-N 3.35Å; Y136-R139 PolarHBondContact O-N 2.88Å; Y136-K140 PolarHBondContact O-N 3.49Å
137F71Confident70.5Confident0 Ų057.4 Ų57.40%026%0.263CS..Hα-helixtrans-68.5-41.2177.7-69.6-50.4000113T133 A134 W135 R139 K140 T141 I150 F151 I160 L161 C164T133-F137 WeakPolarHBondContact O-CD2 3.27Å; T133-F137 WeakPolarHBondContact O-CG 3.23Å; T133-F137 PolarHBondContact O-N 3.27Å; A134-F137 PolarHBondContact O-N 3.43Å; W135-F137 VanDerWaalsContact C-N 3.32Å; F137-R139 VanDerWaalsContact C-N 3.29Å; F137-R139 PolarHBondContact O-N 3.37Å; F137-K140 PolarHBondContact O-N 2.97Å; F137-T141 PolarHBondContact O-N 3.38Å; F137-T141 PolarHBondContact O-OG1 3.24Å; F137-I150 HydrophobicContact CB-CD1 3.72Å; F137-I150 HydrophobicContact CD1-CB 4.47Å; F137-I150 HydrophobicContact CD1-CD1 3.85Å; F137-I150 HydrophobicContact CD1-CG2 3.7Å; F137-I150 HydrophobicContact CE1-CG2 3.9Å; F137-I150 HydrophobicContact CG-CD1 4.11Å; F137-I150 HydrophobicContact CG-CG2 4.06Å; F137-I150 HydrophobicContact CZ-CG2 4.41Å; F137-F151 HydrophobicContact CD2-CD2 4.47Å; F137-F151 AromaticContact CD2-CE2 3.9Å; F137-F151 HydrophobicContact CD2-CE2 3.9Å; F137-F151 HydrophobicContact CE2-CE2 4.31Å; F137-I160 HydrophobicContact CE1-CG2 3.88Å; F137-I160 HydrophobicContact CZ-CG2 4.39Å; F137-L161 HydrophobicContact CE2-CD2 4.33Å; F137-L161 HydrophobicContact CZ-CD2 4.32Å; F137-C164 WeakPolarHBondContact CZ-SG 3.48Å
138D71.3Confident70.6Confident21 Ų2157.6 Ų57.611%0.11226%0.262CS..Hα-helixtrans-60.9-39.2175-90.514.6000111.3A134 W135 T141 G142 A145 G146 S147A134-D138 WeakPolarHBondContact O-CB 3.41Å; A134-D138 PolarHBondContact O-N 3.32Å; W135-D138 PolarHBondContact O-N 2.84Å; D138-T141 PolarHBondContact O-N 3.27Å; D138-G142 PolarHBondContact O-N 2.98Å; D138-A145 PolarHBondContact OD1-N 3Å; D138-A145 PolarHBondContact OD2-N 3.35Å; D138-G146 PolarHBondContact OD1-N 3.44Å; D138-G146 VanDerWaalsContact OD1-N 3.15Å; D138-S147 WeakPolarHBondContact OD1-CB 3.43Å; D138-S147 PolarHBondContact OD1-N 3.14Å; D138-S147 PolarHBondContact OD1-OG 3.22Å
139R71.2Confident70.8Confident160 Ų16055.9 Ų55.960%0.60426%0.256SS*.Hα-helixtrans-63.8-46.2172.9-74.9173.3176.5-154.6-1.2112.2E9 W135 Y136 F137 T141 G142E9-R139 IonicContact OE1-CZ 3.65Å; E9-R139 IonicContact OE1-NE 3.82Å; E9-R139 IonicContact OE1-NH2 2.83Å; E9-R139 PolarHBondContact OE1-NH2 3.17Å; E9-R139 IonicContact OE2-CZ 3.9Å; E9-R139 IonicContact OE2-NE 3.72Å; E9-R139 PolarHBondContact OE2-NE 3.06Å; E9-R139 IonicContact OE2-NH2 3.89Å; E9-R139 PolarHBondContact OE2-NH2 3.1Å; W135-R139 WeakPolarHBondContact O-CB 3.35Å; W135-R139 VanDerWaalsContact O-CG 3.27Å; W135-R139 WeakPolarHBondContact O-CG 3.49Å; W135-R139 PolarHBondContact O-N 2.92Å; Y136-R139 PolarHBondContact O-N 2.88Å; F137-R139 VanDerWaalsContact C-N 3.29Å; F137-R139 PolarHBondContact O-N 3.37Å; R139-T141 PolarHBondContact O-N 3.48Å; R139-G142 PolarHBondContact O-N 3.4Å
140K71.4Confident70.9Confident112 Ų11256.1 Ų56.149%0.48726%0.258SS..Hα-helixtrans-61-35.7179-168175.7-175.3177.50111.9Y136 F137 E163Y136-K140 PolarHBondContact O-N 3.49Å; F137-K140 PolarHBondContact O-N 2.97Å; K140-E163 IonicContact NZ-OE1 3.98Å; K140-E163 PolarHBondContact NZ-OE1 2.81Å; K140-E163 IonicContact NZ-OE2 3.63Å; K140-E163 PolarHBondContact NZ-OE2 2.95Å
141T63.9Low71.1Confident56 Ų5656 Ų5634%0.34426%0.257SS..Hα-helixtrans-85.7-14.4-180-17.90000113.5F137 D138 R139 R143 I150F137-T141 PolarHBondContact O-N 3.38Å; F137-T141 PolarHBondContact O-OG1 3.24Å; D138-T141 PolarHBondContact O-N 3.27Å; R139-T141 PolarHBondContact O-N 3.48Å; T141-R143 PolarHBondContact O-N 2.88Å; T141-R143 VanDerWaalsContact O-N 3.15Å; T141-I150 HydrophobicContact CG2-CD1 4.46Å; T141-I150 WeakPolarHBondContact OG1-CD1 3.48Å
142G60.4Low71.2Confident68 Ų6853.3 Ų53.370%0.70125%0.249SC*.THydrogen-bonded Turntrans60.818.7-176.600000114.2D138 R139D138-G142 PolarHBondContact O-N 2.98Å; R139-G142 PolarHBondContact O-N 3.4Å
143R61.6Low71.3Confident191 Ų19155.5 Ų55.572%0.72126%0.259SS*.SBendtrans-133.5131.8-178.1-67.3-175.7-174.4-174.71.8109.8T141 A145 G146T141-R143 PolarHBondContact O-N 2.88Å; T141-R143 VanDerWaalsContact O-N 3.15Å; R143-A145 PolarHBondContact O-N 3.08Å; R143-G146 PolarHBondContact O-N 2.88Å
144R60.2Low71.6Confident67 Ų6755.5 Ų55.525%0.25326%0.259SS..THydrogen-bonded Turntrans-57.1124.3169.3-73.5-173.3170.2153.77.7109.1Y8 D10 E14 D17Y8-R144 HydrophobicContact CD1-CB 4.46Å; Y8-R144 HydrophobicContact CD1-CG 4.49Å; Y8-R144 HydrophobicContact CE1-CB 4.06Å; D10-R144 IonicContact OD2-CZ 4Å; D10-R144 IonicContact OD2-NE 2.81Å; D10-R144 IonicContact OD2-NH2 2.86Å; D10-R144 PolarHBondContact OD2-NH2 3.36Å; E14-R144 IonicContact OE2-NH1 2.73Å; E14-R144 IonicContact OE2-NH2 3.29Å; D17-R144 IonicContact OD2-CZ 3.94Å; D17-R144 IonicContact OD2-NH1 3.77Å; D17-R144 PolarHBondContact OD2-NH1 3.49Å
145A61.8Low71.6Confident5 Ų556.3 Ų56.34%0.04126%0.263CS..THydrogen-bonded Turntrans7017.6-175.400000116.6R100 K103 A104 D138 R143 S147 Y148R100-A145 HydrophobicContact CG-CB 3.78Å; K103-A145 HydrophobicContact CB-CB 4.35Å; A104-A145 HydrophobicContact CB-CB 4.06Å; D138-A145 PolarHBondContact OD1-N 3Å; D138-A145 PolarHBondContact OD2-N 3.35Å; R143-A145 PolarHBondContact O-N 3.08Å; A145-S147 PolarHBondContact O-N 3.05Å; A145-Y148 PolarHBondContact O-N 3.37Å
146G64.3Low71.6Confident2 Ų261.8 Ų61.82%0.02129%0.293CS..THydrogen-bonded Turntrans-65.9-20.7170.500000113.3D138 R143 Y148 D149 I150D138-G146 PolarHBondContact OD1-N 3.44Å; D138-G146 VanDerWaalsContact OD1-N 3.15Å; R143-G146 PolarHBondContact O-N 2.88Å; G146-Y148 PolarHBondContact O-N 2.9Å; G146-D149 PolarHBondContact O-N 3.11Å; G146-D149 VanDerWaalsContact O-N 3.08Å; G146-I150 PolarHBondContact O-N 3.05Å
147S71.8Confident71.6Confident4 Ų459.9 Ų59.93%0.02829%0.294CS..Hα-helixtrans-47-43.7170.541.20000112.4D138 A145 D149 I150 F151D138-S147 WeakPolarHBondContact OD1-CB 3.43Å; D138-S147 PolarHBondContact OD1-N 3.14Å; D138-S147 PolarHBondContact OD1-OG 3.22Å; A145-S147 PolarHBondContact O-N 3.05Å; S147-D149 VanDerWaalsContact C-N 3.31Å; S147-D149 PolarHBondContact O-N 3.27Å; S147-I150 PolarHBondContact O-N 3.13Å; S147-I150 VanDerWaalsContact O-N 3.12Å; S147-F151 WeakPolarHBondContact O-CB 3.27Å; S147-F151 WeakPolarHBondContact O-CD2 3.41Å; S147-F151 PolarHBondContact O-N 3.36Å
148Y78.9Confident71.7Confident47 Ų4762.3 Ų62.318%0.18431%0.31CS..Hα-helixtrans-60.4-38.6-179.4-177-103.3000113.7K103 A106 V107 A145 G146 I150 F151 K152 L182K103-Y148 HydrophobicContact CB-CD1 4.17Å; K103-Y148 HydrophobicContact CB-CG 3.92Å; K103-Y148 HydrophobicContact CD-CD1 3.92Å; K103-Y148 HydrophobicContact CD-CG 4.41Å; K103-Y148 HydrophobicContact CG-CD1 3.61Å; K103-Y148 HydrophobicContact CG-CE1 4.15Å; K103-Y148 HydrophobicContact CG-CG 3.9Å; A106-Y148 HydrophobicContact CB-CD2 4.09Å; A106-Y148 HydrophobicContact CB-CE2 3.88Å; V107-Y148 HydrophobicContact CG2-CD2 4.16Å; A145-Y148 PolarHBondContact O-N 3.37Å; G146-Y148 PolarHBondContact O-N 2.9Å; Y148-I150 VanDerWaalsContact C-N 3.34Å; Y148-F151 PolarHBondContact O-N 2.8Å; Y148-K152 HydrophobicContact CD1-CD 4.23Å; Y148-K152 HydrophobicContact CE1-CD 3.82Å; Y148-K152 HydrophobicContact CE1-CG 4.27Å; Y148-K152 PolarHBondContact O-N 3.03Å; Y148-L182 HydrophobicContact CD2-CD2 3.99Å; Y148-L182 HydrophobicContact CE2-CD1 4.01Å; Y148-L182 HydrophobicContact CE2-CD2 3.69Å; Y148-L182 HydrophobicContact CE2-CG 3.83Å
149D78.7Confident71.6Confident67 Ų6768.7 Ų68.736%0.35834%0.339SS..Hα-helixtrans-71.9-32.3179.3-67.8-44000111.4K103 G146 S147 K153K103-D149 IonicContact NZ-OD2 2.65Å; G146-D149 PolarHBondContact O-N 3.11Å; G146-D149 VanDerWaalsContact O-N 3.08Å; S147-D149 VanDerWaalsContact C-N 3.31Å; S147-D149 PolarHBondContact O-N 3.27Å; D149-K153 WeakPolarHBondContact O-CG 3.38Å; D149-K153 PolarHBondContact O-N 3.04Å; D149-K153 VanDerWaalsContact O-N 3.15Å
150I77.6Confident71.6Confident19 Ų1963 Ų6310%0.09732%0.32CS..Hα-helixtrans-68.5-46171.2-66.8168.2000110.3F137 T141 G146 S147 Y148 K152 K153 V154 I160F137-I150 HydrophobicContact CB-CD1 3.72Å; F137-I150 HydrophobicContact CD1-CB 4.47Å; F137-I150 HydrophobicContact CD1-CD1 3.85Å; F137-I150 HydrophobicContact CD1-CG2 3.7Å; F137-I150 HydrophobicContact CE1-CG2 3.9Å; F137-I150 HydrophobicContact CG-CD1 4.11Å; F137-I150 HydrophobicContact CG-CG2 4.06Å; F137-I150 HydrophobicContact CZ-CG2 4.41Å; T141-I150 HydrophobicContact CG2-CD1 4.46Å; T141-I150 WeakPolarHBondContact OG1-CD1 3.48Å; G146-I150 PolarHBondContact O-N 3.05Å; S147-I150 PolarHBondContact O-N 3.13Å; S147-I150 VanDerWaalsContact O-N 3.12Å; Y148-I150 VanDerWaalsContact C-N 3.34Å; I150-K152 PolarHBondContact O-N 2.97Å; I150-K153 CarbonylContact O-C 3.59Å; I150-K153 WeakPolarHBondContact O-CA 3.37Å; I150-K153 WeakPolarHBondContact O-CB 3.31Å; I150-K153 PolarHBondContact O-N 3.37Å; I150-V154 HydrophobicContact CG2-CG2 4.16Å; I150-V154 VanDerWaalsContact O-CG2 3.27Å; I150-V154 WeakPolarHBondContact O-CG2 3.37Å; I150-V154 PolarHBondContact O-N 3.35Å; I150-I160 HydrophobicContact CG2-CG2 3.83Å
151F78.6Confident71.3Confident1 Ų157.8 Ų57.80%0.00430%0.298CS..Hα-helixtrans-58.9-33.5176.8-86.7-113.3000112.2V107 I110 F137 S147 Y148 V154 L174 I178 L182V107-F151 HydrophobicContact CG1-CE2 4.2Å; V107-F151 HydrophobicContact CG1-CZ 4.16Å; I110-F151 HydrophobicContact CD1-CD1 4.33Å; I110-F151 HydrophobicContact CG2-CE1 4.43Å; F137-F151 HydrophobicContact CD2-CD2 4.47Å; F137-F151 AromaticContact CD2-CE2 3.9Å; F137-F151 HydrophobicContact CD2-CE2 3.9Å; F137-F151 HydrophobicContact CE2-CE2 4.31Å; S147-F151 WeakPolarHBondContact O-CB 3.27Å; S147-F151 WeakPolarHBondContact O-CD2 3.41Å; S147-F151 PolarHBondContact O-N 3.36Å; Y148-F151 PolarHBondContact O-N 2.8Å; F151-V154 WeakPolarHBondContact O-CB 3.45Å; F151-V154 PolarHBondContact O-N 3.28Å; F151-L174 HydrophobicContact CE1-CD1 4.17Å; F151-I178 HydrophobicContact CD1-CD1 3.31Å; F151-I178 HydrophobicContact CD1-CG1 3.61Å; F151-I178 HydrophobicContact CE1-CD1 3.53Å; F151-I178 HydrophobicContact CE1-CG1 3.94Å; F151-I178 HydrophobicContact CG-CD1 4.26Å; F151-L182 HydrophobicContact CB-CD2 3.73Å
152K78.2Confident71.3Confident96 Ų9660 Ų6042%0.41731%0.308SS..Hα-helixtrans-64.9-44169.1-82.2179.8163.7177.50112.8Y148 I150 V154 V155 L182Y148-K152 HydrophobicContact CD1-CD 4.23Å; Y148-K152 HydrophobicContact CE1-CD 3.82Å; Y148-K152 HydrophobicContact CE1-CG 4.27Å; Y148-K152 PolarHBondContact O-N 3.03Å; I150-K152 PolarHBondContact O-N 2.97Å; K152-V154 VanDerWaalsContact C-N 3.28Å; K152-V154 PolarHBondContact O-N 3.4Å; K152-V155 WeakPolarHBondContact O-CB 3.09Å; K152-V155 PolarHBondContact O-N 3.16Å; K152-L182 HydrophobicContact CG-CD2 4.15Å
153K77.9Confident71.5Confident132 Ų13261.2 Ų61.257%0.57430%0.295SS*.Hα-helixtrans-65.1-34.8176.8-70.5178.3-179.1-175.60112D149 I150 V155 N156 S157 I160D149-K153 WeakPolarHBondContact O-CG 3.38Å; D149-K153 PolarHBondContact O-N 3.04Å; D149-K153 VanDerWaalsContact O-N 3.15Å; I150-K153 CarbonylContact O-C 3.59Å; I150-K153 WeakPolarHBondContact O-CA 3.37Å; I150-K153 WeakPolarHBondContact O-CB 3.31Å; I150-K153 PolarHBondContact O-N 3.37Å; K153-V155 PolarHBondContact O-N 3.16Å; K153-N156 PolarHBondContact O-N 2.89Å; K153-S157 PolarHBondContact O-N 3.49Å; K153-I160 HydrophobicContact CB-CD1 3.92Å
154V80.2Confident71.5Confident1 Ų152.6 Ų52.61%0.00626%0.264CS..Hα-helixtrans-59-30.6176.9166.50000112.3I150 F151 K152 N156 S157 I160 L161 L175 I178I150-V154 HydrophobicContact CG2-CG2 4.16Å; I150-V154 VanDerWaalsContact O-CG2 3.27Å; I150-V154 WeakPolarHBondContact O-CG2 3.37Å; I150-V154 PolarHBondContact O-N 3.35Å; F151-V154 WeakPolarHBondContact O-CB 3.45Å; F151-V154 PolarHBondContact O-N 3.28Å; K152-V154 VanDerWaalsContact C-N 3.28Å; K152-V154 PolarHBondContact O-N 3.4Å; V154-N156 PolarHBondContact O-N 3.3Å; V154-S157 WeakPolarHBondContact CA-O 3.13Å; V154-S157 CarbonylContact O-C 3.55Å; V154-S157 PolarHBondContact O-N 3.09Å; V154-I160 HydrophobicContact CG2-CB 3.98Å; V154-I160 HydrophobicContact CG2-CD1 4.48Å; V154-I160 HydrophobicContact CG2-CG2 4.28Å; V154-L161 HydrophobicContact CG1-CD1 3.38Å; V154-L161 HydrophobicContact CG1-CD2 4.25Å; V154-L161 HydrophobicContact CG1-CG 3.59Å; V154-L161 HydrophobicContact CG2-CD2 4.36Å; V154-L161 HydrophobicContact CG2-CG 4.09Å; V154-L175 HydrophobicContact CG1-CD2 4.42Å; V154-I178 HydrophobicContact CG1-CD1 4.11Å
155V75.1Confident71.5Confident23 Ų2356.9 Ų56.914%0.13929%0.292CS..Hα-helixtrans-58.4-40.6174.3179.50000111K152 K153 I178 L182K152-V155 WeakPolarHBondContact O-CB 3.09Å; K152-V155 PolarHBondContact O-N 3.16Å; K153-V155 PolarHBondContact O-N 3.16Å; V155-I178 HydrophobicContact CG2-CG2 3.68Å; V155-L182 HydrophobicContact CG2-CB 4.2Å
156N74.6Confident71.8Confident128 Ų12858.2 Ų58.268%0.68430%0.298SS*.Hα-helixtrans-88.3-34.3-178.7-61.8-14.5000112.2K153 V154K153-N156 PolarHBondContact O-N 2.89Å; V154-N156 PolarHBondContact O-N 3.3Å
157S75Confident72.2Confident58 Ų5863.3 Ų63.341%0.40633%0.325SS..  trans-128.388.6-174.9-57.50000109.8K153 V154 E159 I160K153-S157 PolarHBondContact O-N 3.49Å; V154-S157 WeakPolarHBondContact CA-O 3.13Å; V154-S157 CarbonylContact O-C 3.55Å; V154-S157 PolarHBondContact O-N 3.09Å; S157-E159 PolarHBondContact O-N 3.15Å; S157-E159 VanDerWaalsContact O-N 3.15Å; S157-I160 PolarHBondContact O-N 2.92Å
158P72.9Confident72.4Confident51 Ų5168.3 Ų68.333%0.33135%0.348SS..G310 helixtrans-65.7-16.2-176.326.4-34.5000113.7I160 L161 L175P158-I160 PolarHBondContact O-N 3.3Å; P158-L161 PolarHBondContact O-N 3.47Å; P158-L175 HydrophobicContact CB-CD2 4.08Å
159E70.3Confident72.3Confident154 Ų15468.5 Ų68.572%0.7236%0.359SS*.G310 helixtrans-63.5-24.8-178.5-58.4-175.8167.400113.6S157 L161 D162S157-E159 PolarHBondContact O-N 3.15Å; S157-E159 VanDerWaalsContact O-N 3.15Å; E159-L161 PolarHBondContact O-N 3.24Å; E159-L161 VanDerWaalsContact O-N 3.15Å; E159-D162 WeakPolarHBondContact O-CB 3.44Å; E159-D162 PolarHBondContact O-N 3.25Å
160I71Confident72.2Confident41 Ų4165.5 Ų65.521%0.2134%0.343CS..G310 helixtrans-64.7-23.2-180-55.7165.8000111F137 I150 K153 V154 S157 P158F137-I160 HydrophobicContact CE1-CG2 3.88Å; F137-I160 HydrophobicContact CZ-CG2 4.39Å; I150-I160 HydrophobicContact CG2-CG2 3.83Å; K153-I160 HydrophobicContact CB-CD1 3.92Å; V154-I160 HydrophobicContact CG2-CB 3.98Å; V154-I160 HydrophobicContact CG2-CD1 4.48Å; V154-I160 HydrophobicContact CG2-CG2 4.28Å; S157-I160 PolarHBondContact O-N 2.92Å; P158-I160 PolarHBondContact O-N 3.3Å
161L64.9Low72.2Confident3 Ų365.8 Ų65.82%0.01634%0.343CS..G310 helixtrans-78.8-17.2175.2-70.9172.7000113.4F137 V154 P158 E159 E163 C164 K171 L174 L175F137-L161 HydrophobicContact CE2-CD2 4.33Å; F137-L161 HydrophobicContact CZ-CD2 4.32Å; V154-L161 HydrophobicContact CG1-CD1 3.38Å; V154-L161 HydrophobicContact CG1-CD2 4.25Å; V154-L161 HydrophobicContact CG1-CG 3.59Å; V154-L161 HydrophobicContact CG2-CD2 4.36Å; V154-L161 HydrophobicContact CG2-CG 4.09Å; P158-L161 PolarHBondContact O-N 3.47Å; E159-L161 PolarHBondContact O-N 3.24Å; E159-L161 VanDerWaalsContact O-N 3.15Å; L161-E163 PolarHBondContact O-N 2.96Å; L161-C164 PolarHBondContact O-N 2.84Å; L161-K171 HydrophobicContact CB-CG 4.32Å; L161-L174 HydrophobicContact CD2-CD2 3.85Å; L161-L175 HydrophobicContact CD1-CD1 4.06Å; L161-L175 HydrophobicContact CD1-CD2 4.08Å; L161-L175 HydrophobicContact CD1-CG 3.62Å
162D63.4Low72.3Confident102 Ų10270.5 Ų70.555%0.54537%0.365SS..THydrogen-bonded Turntrans-70.1-20.5177-75.9-65.3000112.8E159 C164 K171E159-D162 WeakPolarHBondContact O-CB 3.44Å; E159-D162 PolarHBondContact O-N 3.25Å; D162-C164 PolarHBondContact O-N 3.46Å; D162-K171 IonicContact OD1-NZ 3.47Å; D162-K171 PolarHBondContact OD1-NZ 3.49Å; D162-K171 IonicContact OD2-NZ 3.85Å; D162-K171 PolarHBondContact OD2-NZ 3.15Å
163E64.4Low72.5Confident93 Ų9369.2 Ų69.244%0.43536%0.362SS..THydrogen-bonded Turntrans-70.7-14.4172.7-65.4-176.9178.700112.9K140 L161K140-E163 IonicContact NZ-OE1 3.98Å; K140-E163 PolarHBondContact NZ-OE1 2.81Å; K140-E163 IonicContact NZ-OE2 3.63Å; K140-E163 PolarHBondContact NZ-OE2 2.95Å; L161-E163 PolarHBondContact O-N 2.96Å
164C60.9Low72.7Confident11 Ų1163 Ų637%0.07434%0.335CS..SBendtrans-93.7117.7177.8-69.90000109.9K132 F137 L161 D162 I166K132-C164 PolarHBondContact O-SG 3.46Å; K132-C164 VanDerWaalsContact O-SG 3.37Å; F137-C164 WeakPolarHBondContact CZ-SG 3.48Å; L161-C164 PolarHBondContact O-N 2.84Å; D162-C164 PolarHBondContact O-N 3.46Å; C164-I166 HydrophobicContact CB-CD1 3.57Å; C164-I166 HydrophobicContact CB-CG1 3.9Å; C164-I166 PolarHBondContact O-N 2.56Å
165D61.4Low72.8Confident157 Ų15764.2 Ų64.284%0.8434%0.341SS*.  trans-63.468.7171.1-72.8-63.5000112
166I67.5Low73.2Confident33 Ų3366.8 Ų66.817%0.16936%0.357CS..  trans-122.6140.1-175.9-63.6173.5000108.3K132 T133 C164 Q168 T170K132-I166 HydrophobicContact CB-CD1 4.22Å; K132-I166 HydrophobicContact CB-CG1 4.12Å; T133-I166 HydrophobicContact CG2-CD1 3.07Å; C164-I166 HydrophobicContact CB-CD1 3.57Å; C164-I166 HydrophobicContact CB-CG1 3.9Å; C164-I166 PolarHBondContact O-N 2.56Å; I166-Q168 PolarHBondContact O-N 3.19Å; I166-T170 HydrophobicContact CG2-CG2 3.53Å
167D73.2Confident73.6Confident109 Ų10960.9 Ų60.958%0.58333%0.326SS*.  trans-53.1136.7178.2-166.195.6000111.3A169 T170 K171D167-A169 PolarHBondContact O-N 2.97Å; D167-A169 VanDerWaalsContact O-N 3.14Å; D167-A169 WeakPolarHBondContact OD2-CB 3.4Å; D167-A169 PolarHBondContact OD2-N 2.79Å; D167-A169 VanDerWaalsContact OD2-N 3.08Å; D167-T170 WeakPolarHBondContact O-CA 3.49Å; D167-T170 WeakPolarHBondContact O-CB 3.49Å; D167-T170 PolarHBondContact O-N 3.15Å; D167-K171 PolarHBondContact O-N 3.27Å
168Q75.7Confident74Confident109 Ų10958.2 Ų58.251%0.50931%0.307SS..Hα-helixtrans-54.3-37.1-175.9-176.365.422.600111.8I166 T170 K171 E172I166-Q168 PolarHBondContact O-N 3.19Å; Q168-T170 VanDerWaalsContact C-N 3.32Å; Q168-T170 PolarHBondContact O-N 3.23Å; Q168-K171 PolarHBondContact O-N 3.41Å; Q168-E172 PolarHBondContact NE2-OE1 3.16Å; Q168-E172 VanDerWaalsContact NE2-OE1 3.08Å; Q168-E172 PolarHBondContact O-N 3.39Å
169A76.1Confident74.4Confident50 Ų5062 Ų6241%0.41332%0.315SS..Hα-helixtrans-64.9-37.6177.300000112D167 M173D167-A169 PolarHBondContact O-N 2.97Å; D167-A169 VanDerWaalsContact O-N 3.14Å; D167-A169 WeakPolarHBondContact OD2-CB 3.4Å; D167-A169 PolarHBondContact OD2-N 2.79Å; D167-A169 VanDerWaalsContact OD2-N 3.08Å; A169-M173 WeakPolarHBondContact O-CG 3.08Å; A169-M173 PolarHBondContact O-N 3.18Å
170T77.3Confident74.8Confident5 Ų562.4 Ų62.43%0.03132%0.316CS..Hα-helixtrans-72-37.1176.9-55.20000110.9V114 L118 L129 I166 D167 Q168 M173 L174V114-T170 HydrophobicContact CG1-CG2 4.1Å; L118-T170 HydrophobicContact CD1-CG2 3.74Å; L118-T170 WeakPolarHBondContact CD1-OG1 3.32Å; L129-T170 HydrophobicContact CD1-CG2 3.72Å; I166-T170 HydrophobicContact CG2-CG2 3.53Å; D167-T170 WeakPolarHBondContact O-CA 3.49Å; D167-T170 WeakPolarHBondContact O-CB 3.49Å; D167-T170 PolarHBondContact O-N 3.15Å; Q168-T170 VanDerWaalsContact C-N 3.32Å; Q168-T170 PolarHBondContact O-N 3.23Å; T170-M173 PolarHBondContact O-N 2.88Å; T170-L174 WeakPolarHBondContact O-CB 3.37Å; T170-L174 PolarHBondContact O-N 3.23Å
171K77.9Confident75.1Confident24 Ų2466.4 Ų66.410%0.10433%0.328CS..Hα-helixtrans-62.3-45.7177.1-170-172.3179.9-161.90112.1L161 D162 D167 Q168 L174 L175L161-K171 HydrophobicContact CB-CG 4.32Å; D162-K171 IonicContact OD1-NZ 3.47Å; D162-K171 PolarHBondContact OD1-NZ 3.49Å; D162-K171 IonicContact OD2-NZ 3.85Å; D162-K171 PolarHBondContact OD2-NZ 3.15Å; D167-K171 PolarHBondContact O-N 3.27Å; Q168-K171 PolarHBondContact O-N 3.41Å; K171-L174 PolarHBondContact O-N 2.99Å; K171-L175 HydrophobicContact CG-CD1 4.35Å; K171-L175 WeakPolarHBondContact O-CB 3.46Å; K171-L175 PolarHBondContact O-N 2.79Å
172E81.5Confident75.7Confident100 Ų10066.9 Ų66.947%0.46733%0.331SS..Hα-helixtrans-66.2-41.3179.1-74176.1-168.600112.3Q168 L175 T176Q168-E172 PolarHBondContact NE2-OE1 3.16Å; Q168-E172 VanDerWaalsContact NE2-OE1 3.08Å; Q168-E172 PolarHBondContact O-N 3.39Å; E172-L175 PolarHBondContact O-N 3.43Å; E172-T176 WeakPolarHBondContact O-CB 2.98Å; E172-T176 PolarHBondContact O-N 3.47Å; E172-T176 PolarHBondContact O-OG1 2.92Å
173M80.5Confident75.9Confident69 Ų6965 Ų6534%0.3432%0.323SS..Hα-helixtrans-64.7-41.9174.5-73-57.5113.300111.9V114 K117 A169 T170 T176 D177V114-M173 HydrophobicContact CG1-CB 4.47Å; K117-M173 HydrophobicContact CD-SD 4.49Å; A169-M173 WeakPolarHBondContact O-CG 3.08Å; A169-M173 PolarHBondContact O-N 3.18Å; T170-M173 PolarHBondContact O-N 2.88Å; M173-T176 PolarHBondContact O-N 3.3Å; M173-D177 PolarHBondContact O-N 3.18Å
174L82.1Confident76.2Confident3 Ų363.4 Ų63.42%0.01632%0.321CS..Hα-helixtrans-61.4-47.1175.7-171.969000110.8I110 L111 V114 T133 F151 L161 T170 K171 T176 D177 I178I110-L174 HydrophobicContact CG2-CD1 3.84Å; L111-L174 HydrophobicContact CD2-CD1 4.26Å; V114-L174 HydrophobicContact CG2-CB 4.39Å; V114-L174 HydrophobicContact CG2-CD1 3.88Å; T133-L174 HydrophobicContact CG2-CD2 4.18Å; F151-L174 HydrophobicContact CE1-CD1 4.17Å; L161-L174 HydrophobicContact CD2-CD2 3.85Å; T170-L174 WeakPolarHBondContact O-CB 3.37Å; T170-L174 PolarHBondContact O-N 3.23Å; K171-L174 PolarHBondContact O-N 2.99Å; L174-T176 VanDerWaalsContact C-N 3.29Å; L174-T176 PolarHBondContact O-N 2.89Å; L174-D177 PolarHBondContact O-N 3.35Å; L174-I178 HydrophobicContact CD1-CD1 4.25Å; L174-I178 HydrophobicContact CD1-CG1 4.42Å; L174-I178 HydrophobicContact CD2-CD1 4.3Å; L174-I178 HydrophobicContact CG-CD1 3.74Å; L174-I178 HydrophobicContact CG-CG1 4.29Å; L174-I178 WeakPolarHBondContact O-CB 3.43Å; L174-I178 WeakPolarHBondContact O-CG1 3.48Å; L174-I178 PolarHBondContact O-N 3Å
175L82.2Confident76.8Confident25 Ų2571.5 Ų71.513%0.13136%0.355CS..Hα-helixtrans-56.8-42.9175.1-95.1156.5000112.4V154 P158 L161 K171 E172 R179V154-L175 HydrophobicContact CG1-CD2 4.42Å; P158-L175 HydrophobicContact CB-CD2 4.08Å; L161-L175 HydrophobicContact CD1-CD1 4.06Å; L161-L175 HydrophobicContact CD1-CD2 4.08Å; L161-L175 HydrophobicContact CD1-CG 3.62Å; K171-L175 HydrophobicContact CG-CD1 4.35Å; K171-L175 WeakPolarHBondContact O-CB 3.46Å; K171-L175 PolarHBondContact O-N 2.79Å; E172-L175 PolarHBondContact O-N 3.43Å; L175-R179 WeakPolarHBondContact O-CB 3.38Å; L175-R179 VanDerWaalsContact O-CG 3.29Å; L175-R179 WeakPolarHBondContact O-CG 3.41Å; L175-R179 PolarHBondContact O-N 3.19Å
176T84Confident77.6Confident77 Ų7766.3 Ų66.347%0.47233%0.333SS..Hα-helixtrans-64-46.3179.2-56.30000111.1E172 M173 L174 R179 H180E172-T176 WeakPolarHBondContact O-CB 2.98Å; E172-T176 PolarHBondContact O-N 3.47Å; E172-T176 PolarHBondContact O-OG1 2.92Å; M173-T176 PolarHBondContact O-N 3.3Å; L174-T176 VanDerWaalsContact C-N 3.29Å; L174-T176 PolarHBondContact O-N 2.89Å; T176-R179 PolarHBondContact O-N 3.39Å; T176-H180 WeakPolarHBondContact O-CB 3.33Å; T176-H180 PolarHBondContact O-N 3.49Å
177D82.5Confident78.3Confident5 Ų565.8 Ų65.83%0.02733%0.332CS..Hα-helixtrans-70.3-36.5178.8-85.4-33.8000113.4I110 N113 V114 K117 M173 L174 H180 R181I110-D177 HydrophobicContact CG2-CB 4.18Å; N113-D177 PolarHBondContact ND2-OD1 2.84Å; N113-D177 PolarHBondContact ND2-OD2 3.16Å; V114-D177 HydrophobicContact CG2-CB 4.19Å; K117-D177 IonicContact NZ-OD1 3.9Å; K117-D177 PolarHBondContact NZ-OD1 3.2Å; K117-D177 IonicContact NZ-OD2 4Å; K117-D177 PolarHBondContact NZ-OD2 3.45Å; M173-D177 PolarHBondContact O-N 3.18Å; L174-D177 PolarHBondContact O-N 3.35Å; D177-H180 PolarHBondContact O-N 3.35Å; D177-R181 PolarHBondContact O-N 3.43Å
178I83.8Confident78.9Confident1 Ų163.7 Ų63.71%0.00532%0.318CS..Hα-helixtrans-62.4-48.2173.4-67.2173.8000109.5I110 F151 V154 V155 L174 H180 R181 L182I110-I178 HydrophobicContact CG2-CG1 4.06Å; F151-I178 HydrophobicContact CD1-CD1 3.31Å; F151-I178 HydrophobicContact CD1-CG1 3.61Å; F151-I178 HydrophobicContact CE1-CD1 3.53Å; F151-I178 HydrophobicContact CE1-CG1 3.94Å; F151-I178 HydrophobicContact CG-CD1 4.26Å; V154-I178 HydrophobicContact CG1-CD1 4.11Å; V155-I178 HydrophobicContact CG2-CG2 3.68Å; L174-I178 HydrophobicContact CD1-CD1 4.25Å; L174-I178 HydrophobicContact CD1-CG1 4.42Å; L174-I178 HydrophobicContact CD2-CD1 4.3Å; L174-I178 HydrophobicContact CG-CD1 3.74Å; L174-I178 HydrophobicContact CG-CG1 4.29Å; L174-I178 WeakPolarHBondContact O-CB 3.43Å; L174-I178 WeakPolarHBondContact O-CG1 3.48Å; L174-I178 PolarHBondContact O-N 3Å; I178-H180 VanDerWaalsContact C-N 3.33Å; I178-H180 PolarHBondContact O-N 3.12Å; I178-R181 PolarHBondContact O-N 3.21Å; I178-L182 HydrophobicContact CG2-CB 4.26Å; I178-L182 WeakPolarHBondContact O-CA 3.35Å; I178-L182 WeakPolarHBondContact O-CB 3.3Å; I178-L182 PolarHBondContact O-N 3.12Å
179R81.1Confident79.5Confident132 Ų13258.5 Ų58.550%0.49829%0.293SS..Hα-helixtrans-60.3-43.5176.4-75.4175.6177.3175.90.2111.2L175 T176 R181 T183L175-R179 WeakPolarHBondContact O-CB 3.38Å; L175-R179 VanDerWaalsContact O-CG 3.29Å; L175-R179 WeakPolarHBondContact O-CG 3.41Å; L175-R179 PolarHBondContact O-N 3.19Å; T176-R179 PolarHBondContact O-N 3.39Å; R179-R181 VanDerWaalsContact C-N 3.32Å; R179-R181 PolarHBondContact O-N 3.29Å; R179-T183 WeakPolarHBondContact O-CB 3.09Å; R179-T183 PolarHBondContact O-N 3.46Å; R179-T183 PolarHBondContact O-OG1 2.88Å
180H79.9Confident80Confident161 Ų16157.3 Ų57.375%0.74528%0.278SS*.Hα-helixtrans-65.3-35.1-178.4-168.562.5000113.2T176 D177 I178T176-H180 WeakPolarHBondContact O-CB 3.33Å; T176-H180 PolarHBondContact O-N 3.49Å; D177-H180 PolarHBondContact O-N 3.35Å; I178-H180 VanDerWaalsContact C-N 3.33Å; I178-H180 PolarHBondContact O-N 3.12Å
181R77.9Confident80.6Confident125 Ų12557 Ų5747%0.47228%0.276SS..Hα-helixtrans-98.7-33.8-174.6-68.6-175178.9-86.90.6115.2D177 I178 R179D177-R181 PolarHBondContact O-N 3.43Å; I178-R181 PolarHBondContact O-N 3.21Å; R179-R181 VanDerWaalsContact C-N 3.32Å; R179-R181 PolarHBondContact O-N 3.29Å
182L75.5Confident81.1Confident14 Ų1456.7 Ų56.77%0.07328%0.276CS..Hα-helixtrans-110.6-1.1-171-92.268.1000113.6I110 Y148 F151 K152 V155 I178 P184I110-L182 HydrophobicContact CD1-CD1 3.5Å; I110-L182 VanDerWaalsContact CD1-CD1 3.5Å; I110-L182 HydrophobicContact CD1-CD2 4.45Å; Y148-L182 HydrophobicContact CD2-CD2 3.99Å; Y148-L182 HydrophobicContact CE2-CD1 4.01Å; Y148-L182 HydrophobicContact CE2-CD2 3.69Å; Y148-L182 HydrophobicContact CE2-CG 3.83Å; F151-L182 HydrophobicContact CB-CD2 3.73Å; K152-L182 HydrophobicContact CG-CD2 4.15Å; V155-L182 HydrophobicContact CG2-CB 4.2Å; I178-L182 HydrophobicContact CG2-CB 4.26Å; I178-L182 WeakPolarHBondContact O-CA 3.35Å; I178-L182 WeakPolarHBondContact O-CB 3.3Å; I178-L182 PolarHBondContact O-N 3.12Å; L182-P184 WeakPolarHBondContact O-CD 3.2Å; L182-P184 VanDerWaalsContact O-N 3.09Å
183T69.5Low81.5Confident61 Ų6152 Ų5237%0.37425%0.254SS..SBendtrans-57.3121.4171.2-64.90000108.3R179 K185 M240R179-T183 WeakPolarHBondContact O-CB 3.09Å; R179-T183 PolarHBondContact O-N 3.46Å; R179-T183 PolarHBondContact O-OG1 2.88Å; T183-K185 PolarHBondContact O-N 3.4Å; T183-K185 VanDerWaalsContact O-N 3.16Å; T183-M240 HydrophobicContact CG2-CE 4.49Å
184P68.8Low82Confident60 Ų6050.8 Ų50.839%0.3925%0.247SC..PPolyproline II helixtrans-56.1127.1176.923.1-31.6000107.6L182 A186 M240L182-P184 WeakPolarHBondContact O-CD 3.2Å; L182-P184 VanDerWaalsContact O-N 3.09Å; P184-A186 PolarHBondContact O-N 3.15Å; P184-M240 HydrophobicContact CG-SD 4.44Å
185K74.1Confident82.3Confident182 Ų18250.9 Ų50.979%0.79125%0.248SC*.PPolyproline II helixtrans-58.4132172.3-68.8-174.1177.5-173.90107.5T183 V187T183-K185 PolarHBondContact O-N 3.4Å; T183-K185 VanDerWaalsContact O-N 3.16Å; K185-V187 PolarHBondContact O-N 3.22Å; K185-V187 VanDerWaalsContact O-N 3.16Å
186A78.6Confident82.5Confident47 Ų4750.4 Ų50.439%0.38825%0.247SC..PPolyproline II helixtrans-54.2123.917400000108.5P184 M240P184-A186 PolarHBondContact O-N 3.15Å; A186-M240 HydrophobicContact CB-CE 4.1Å; A186-M240 HydrophobicContact CB-SD 3.9Å
187V82Confident82.6Confident22 Ų2247.7 Ų47.713%0.13323%0.231CC..EExtended strand (participates in β ladder)trans-89.2123.4-179.7-177.90000107.1K185 T239 R242 V275K185-V187 PolarHBondContact O-N 3.22Å; K185-V187 VanDerWaalsContact O-N 3.16Å; V187-T239 PolarHBondContact N-O 2.88Å; V187-T239 PolarHBondContact O-N 3.34Å; V187-R242 HydrophobicContact CG2-CG 4.29Å; V187-V275 HydrophobicContact CG1-CB 4.03Å; V187-V275 HydrophobicContact CG1-CG1 3.18Å; V187-V275 HydrophobicContact CG1-CG2 3.82Å
188K85.8Confident82.7Confident66 Ų6656.6 Ų56.629%0.28727%0.27SS..EExtended strand (participates in β ladder)trans-76.1128.7170.2-63.9-174.5-178.3177.10108.5T237 Q238 V276 D281K188-T237 WeakPolarHBondContact CA-O 3.49Å; K188-Q238 HydrophobicContact CG-CG 4.14Å; K188-V276 HydrophobicContact CB-CB 4.31Å; K188-V276 PolarHBondContact O-N 2.95Å; K188-D281 IonicContact NZ-OD1 2.75Å; K188-D281 PolarHBondContact NZ-OD1 3.38Å; K188-D281 IonicContact NZ-OD2 3.35Å; K188-D281 PolarHBondContact NZ-OD2 2.83Å
189I88.1Confident82.7Confident0 Ų059.7 Ų59.70%029%0.289CS..EExtended strand (participates in β ladder)trans-114.2135172.6-57.6172.3000107.2T236 T237 T239 L246 L249 A273 R274 V275I189-T236 WeakPolarHBondContact O-CA 3.45Å; I189-T237 HydrophobicContact CB-CG2 3.85Å; I189-T237 HydrophobicContact CD1-CG2 4.47Å; I189-T237 PolarHBondContact N-O 2.96Å; I189-T237 PolarHBondContact O-N 2.88Å; I189-T239 HydrophobicContact CD1-CG2 3.48Å; I189-T239 VanDerWaalsContact CD1-CG2 3.48Å; I189-T239 HydrophobicContact CG1-CG2 4.19Å; I189-L246 HydrophobicContact CD1-CG 4.26Å; I189-L246 HydrophobicContact CG2-CD2 3.84Å; I189-L249 HydrophobicContact CB-CD1 4.29Å; I189-L249 HydrophobicContact CG2-CD1 3.94Å; I189-L249 HydrophobicContact CG2-CD2 4.43Å; I189-A273 HydrophobicContact CG2-CB 4.27Å; I189-R274 WeakPolarHBondContact CA-O 3.5Å; I189-V275 HydrophobicContact CG1-CG2 4.23Å
190R86.7Confident82.7Confident24 Ų2464.6 Ų64.69%0.09131%0.309CS..EExtended strand (participates in β ladder)trans-126.3144.5-178.3178.4-176.8-77-132.88.4110.9V234 L235 A273 R274 V276R190-V234 HydrophobicContact CG-CG2 3.44Å; R190-V234 VanDerWaalsContact CG-CG2 3.44Å; R190-L235 CarbonylContact C-O 3.41Å; R190-L235 VanDerWaalsContact CA-O 3.23Å; R190-L235 WeakPolarHBondContact CA-O 3.2Å; R190-A273 CarbonylContact O-C 3.59Å; R190-A273 WeakPolarHBondContact O-CA 3.19Å; R190-R274 PolarHBondContact N-O 3.38Å; R190-R274 PolarHBondContact O-N 3.18Å; R190-V276 HydrophobicContact CB-CG2 3.19Å; R190-V276 HydrophobicContact CG-CG2 4.31Å
191A89.7Confident82.9Confident0 Ų061.8 Ų61.80%030%0.299CS..EExtended strand (participates in β ladder)trans-134.5138.8163.900000110.1L235 L249 L253 A273A191-L235 HydrophobicContact CB-CB 4.39Å; A191-L235 PolarHBondContact N-O 3.34Å; A191-L235 PolarHBondContact O-N 3.12Å; A191-L249 HydrophobicContact CB-CD2 3.4Å; A191-L249 VanDerWaalsContact CB-CD2 3.4Å; A191-L253 HydrophobicContact CB-CD1 4.08Å; A191-A273 HydrophobicContact CB-CB 4.24Å
192D89.8Confident83.1Confident17 Ų1756.1 Ų56.19%0.09128%0.28CS..EExtended strand (participates in β ladder)trans-109.9125.5178.2-54.9-29.6000108.6V234 Q270 Q271D192-V234 VanDerWaalsContact OD1-CG2 3.22Å; D192-V234 WeakPolarHBondContact OD1-CG2 3.49Å; D192-Q270 HydrophobicContact CB-CB 4.37Å; D192-Q270 PolarHBondContact O-N 2.8Å; D192-Q271 HydrophobicContact CB-CB 4.05Å; D192-Q271 HydrophobicContact CB-CG 4.44Å; D192-Q271 PolarHBondContact N-O 3.27Å; D192-Q271 PolarHBondContact O-N 3.28Å; D192-Q271 PolarHBondContact OD2-OE1 3.08Å
193F90Very high83.4Confident0 Ų061.3 Ų61.30%031%0.306CS..EExtended strand (participates in β ladder)trans-140.7152.7-175.766.1-80000110.7V195 L210 I225 Y233 L235 L253 I256 F267F193-V195 HydrophobicContact CD2-CG2 3.41Å; F193-V195 VanDerWaalsContact CD2-CG2 3.41Å; F193-V195 HydrophobicContact CE2-CG2 3.36Å; F193-L210 HydrophobicContact CE2-CD2 3.94Å; F193-L210 HydrophobicContact CZ-CD2 3.91Å; F193-I225 HydrophobicContact CZ-CG2 4.29Å; F193-Y233 HydrophobicContact CE2-CG 4.38Å; F193-Y233 HydrophobicContact CZ-CG 4.41Å; F193-Y233 PolarHBondContact N-O 2.85Å; F193-Y233 PolarHBondContact O-N 3.46Å; F193-Y233 VanDerWaalsContact O-O 3.05Å; F193-L235 HydrophobicContact CD1-CB 4.39Å; F193-L235 HydrophobicContact CE1-CB 3.89Å; F193-L253 HydrophobicContact CB-CD2 4.43Å; F193-L253 HydrophobicContact CD1-CD2 3.88Å; F193-L253 HydrophobicContact CE1-CD2 4.36Å; F193-L253 HydrophobicContact CG-CD2 4.11Å; F193-I256 HydrophobicContact CE2-CD1 4.44Å; F193-I256 HydrophobicContact CE2-CG2 4.27Å; F193-I256 HydrophobicContact CZ-CD1 4.27Å; F193-F267 HydrophobicContact CB-CE2 4.03Å; F193-F267 HydrophobicContact CB-CZ 3.89Å; F193-F267 HydrophobicContact CD2-CD2 4.28Å; F193-F267 AromaticContact CD2-CE2 3.4Å; F193-F267 HydrophobicContact CD2-CE2 3.4Å; F193-F267 VanDerWaalsContact CD2-CE2 3.4Å; F193-F267 HydrophobicContact CD2-CZ 4.05Å; F193-F267 HydrophobicContact CE2-CE2 4.15Å; F193-F267 AromaticContact CG-CE2 4Å; F193-F267 HydrophobicContact CG-CE2 4Å; F193-F267 HydrophobicContact CG-CZ 4.18Å
194E90.3Very high84.2Confident45 Ų4563.1 Ų63.121%0.2131%0.314CS..EExtended strand (participates in β ladder)trans-110.9130-178.9-165.5-174.9155.100108.7P231 F267 K268E194-P231 WeakPolarHBondContact CA-O 3.4Å; E194-P231 HydrophobicContact CG-CB 3.85Å; E194-P231 HydrophobicContact CG-CG 3.6Å; E194-P231 VanDerWaalsContact OE1-CG 3.3Å; E194-P231 WeakPolarHBondContact OE1-CG 3.48Å; E194-F267 WeakPolarHBondContact O-CA 3.23Å; E194-K268 HydrophobicContact CB-CB 4.2Å; E194-K268 WeakPolarHBondContact CB-O 3.43Å; E194-K268 PolarHBondContact N-O 2.99Å; E194-K268 PolarHBondContact O-N 3.45Å
195V87.6Confident85.1Confident4 Ų460.2 Ų60.22%0.02430%0.295CS..EExtended strand (participates in β ladder)trans-125.4120.3176.6-168.30000108.7F193 V206 P231 Y233 I260 F267F193-V195 HydrophobicContact CD2-CG2 3.41Å; F193-V195 VanDerWaalsContact CD2-CG2 3.41Å; F193-V195 HydrophobicContact CE2-CG2 3.36Å; V195-V206 HydrophobicContact CG1-CG1 4.27Å; V195-V206 HydrophobicContact CG1-CG2 3.98Å; V195-P231 PolarHBondContact N-O 3.28Å; V195-P231 WeakPolarHBondContact O-CB 3.13Å; V195-Y233 HydrophobicContact CB-CD2 4.07Å; V195-Y233 HydrophobicContact CB-CE2 3.95Å; V195-Y233 HydrophobicContact CG2-CD2 3.96Å; V195-Y233 HydrophobicContact CG2-CE2 4.31Å; V195-I260 HydrophobicContact CG1-CB 4.36Å; V195-I260 HydrophobicContact CG1-CD1 3.41Å; V195-I260 VanDerWaalsContact CG1-CD1 3.41Å; V195-I260 HydrophobicContact CG1-CG1 3.59Å; V195-F267 HydrophobicContact CG2-CD2 4.1Å; V195-F267 HydrophobicContact CG2-CE2 4.29Å
196S86.4Confident85.7Confident16 Ų1652.3 Ų52.311%0.11226%0.262CS..EExtended strand (participates in β ladder)trans-129.4138.5174.452.90000110.6G265 S266S196-G265 CarbonylContact O-C 3.6Å; S196-G265 WeakPolarHBondContact O-CA 3.38Å; S196-S266 PolarHBondContact N-O 2.67Å; S196-S266 PolarHBondContact O-N 2.9Å; S196-S266 PolarHBondContact OG-OG 2.83Å
197C86.2Confident86.1Confident20 Ų2055.4 Ų55.414%0.13527%0.266CS..  trans-140.7119.1172.9-165.60000108.2T199 A205 V206 I260C197-T199 PolarHBondContact SG-OG1 3.33Å; C197-A205 HydrophobicContact CB-CB 4.42Å; C197-V206 HydrophobicContact CB-CG2 4.11Å; C197-I260 HydrophobicContact CB-CD1 4.49Å
198F84.2Confident86.4Confident192 Ų19256.9 Ų56.984%0.84228%0.278SS*.  trans-98.28.7-176.8-62.2-74000113
199T83.8Confident86.4Confident66 Ų6653.7 Ų53.741%0.40526%0.264SS..SBendtrans-74.3162.3175.958.40000110.6C197 D201 G202 Q263C197-T199 PolarHBondContact SG-OG1 3.33Å; T199-D201 PolarHBondContact O-N 3.43Å; T199-G202 WeakPolarHBondContact O-CA 3.46Å; T199-G202 PolarHBondContact O-N 2.71Å; T199-Q263 WeakPolarHBondContact CG2-O 3.47Å
200Y82.3Confident86.3Confident234 Ų23454.8 Ų54.892%0.91827%0.27SS*.THydrogen-bonded Turntrans-58.1-35.6-178.6-170.9-96.3000112.4G202Y200-G202 VanDerWaalsContact C-N 3.35Å
201D83.5Confident86.4Confident102 Ų10262 Ų6255%0.54530%0.297SS..THydrogen-bonded Turntrans-95.426.7172.7-76.5-38.6000113T199 I203 D204 A205T199-D201 PolarHBondContact O-N 3.43Å; D201-I203 VanDerWaalsContact C-N 3.25Å; D201-I203 PolarHBondContact O-N 3.37Å; D201-I203 VanDerWaalsContact O-N 3.17Å; D201-D204 PolarHBondContact O-N 3.48Å; D201-D204 VanDerWaalsContact O-N 3.13Å; D201-A205 PolarHBondContact O-N 2.76Å
202G81.7Confident86.1Confident6 Ų663.3 Ų63.36%0.06231%0.306CS..Hα-helixtrans-58.5-33.3-173.300000114.1T199 Y200 A205 V206T199-G202 WeakPolarHBondContact O-CA 3.46Å; T199-G202 PolarHBondContact O-N 2.71Å; Y200-G202 VanDerWaalsContact C-N 3.35Å; G202-A205 WeakPolarHBondContact O-CB 2.64Å; G202-A205 PolarHBondContact O-N 3.33Å; G202-V206 VanDerWaalsContact O-CG2 3.26Å; G202-V206 WeakPolarHBondContact O-CG2 3.41Å; G202-V206 PolarHBondContact O-N 3.01Å
203I82.7Confident85.7Confident124 Ų12462.5 Ų62.564%0.63630%0.302SS*.Hα-helixtrans-69.4-43.8178.3-58.8171.6000110.8D201 A205 V206 K207D201-I203 VanDerWaalsContact C-N 3.25Å; D201-I203 PolarHBondContact O-N 3.37Å; D201-I203 VanDerWaalsContact O-N 3.17Å; I203-A205 VanDerWaalsContact C-N 3.3Å; I203-V206 PolarHBondContact O-N 2.8Å; I203-K207 HydrophobicContact CG2-CD 4.25Å; I203-K207 WeakPolarHBondContact O-CB 3.2Å; I203-K207 WeakPolarHBondContact O-CG 3.47Å; I203-K207 PolarHBondContact O-N 3.04Å
204D86.7Confident85.3Confident98 Ų9866 Ų6652%0.52432%0.32SS..Hα-helixtrans-69.7-32.6177.6-78.1-50.5000111.4D201 K207 S208D201-D204 PolarHBondContact O-N 3.48Å; D201-D204 VanDerWaalsContact O-N 3.13Å; D204-K207 PolarHBondContact O-N 3.2Å; D204-S208 WeakPolarHBondContact O-CB 3.29Å; D204-S208 PolarHBondContact O-N 2.68Å
205A86.8Confident84.8Confident0 Ų071.4 Ų71.40%035%0.345CS..Hα-helixtrans-60.4-49.5171.700000112.4C197 D201 G202 I203 S208 A209 Q263C197-A205 HydrophobicContact CB-CB 4.42Å; D201-A205 PolarHBondContact O-N 2.76Å; G202-A205 WeakPolarHBondContact O-CB 2.64Å; G202-A205 PolarHBondContact O-N 3.33Å; I203-A205 VanDerWaalsContact C-N 3.3Å; A205-S208 PolarHBondContact O-N 3.46Å; A205-A209 WeakPolarHBondContact O-CB 3.35Å; A205-A209 PolarHBondContact O-N 2.89Å; A205-Q263 HydrophobicContact CB-CB 3.94Å; A205-Q263 HydrophobicContact CB-CG 4.43Å
206V87.1Confident84.1Confident15 Ų1574.6 Ų74.69%0.09136%0.362CS..Hα-helixtrans-63.4-46.6177.7174.90000110.4V195 C197 G202 I203 S208 A209 L210 Y233 I260V195-V206 HydrophobicContact CG1-CG1 4.27Å; V195-V206 HydrophobicContact CG1-CG2 3.98Å; C197-V206 HydrophobicContact CB-CG2 4.11Å; G202-V206 VanDerWaalsContact O-CG2 3.26Å; G202-V206 WeakPolarHBondContact O-CG2 3.41Å; G202-V206 PolarHBondContact O-N 3.01Å; I203-V206 PolarHBondContact O-N 2.8Å; V206-S208 VanDerWaalsContact C-N 3.34Å; V206-S208 PolarHBondContact O-N 2.82Å; V206-A209 PolarHBondContact O-N 2.9Å; V206-L210 HydrophobicContact CG1-CD1 4.01Å; V206-L210 HydrophobicContact CG1-CG 4.36Å; V206-L210 VanDerWaalsContact O-CG 3.3Å; V206-L210 WeakPolarHBondContact O-CG 3.38Å; V206-L210 PolarHBondContact O-N 2.94Å; V206-Y233 HydrophobicContact CG1-CE2 4.4Å; V206-I260 HydrophobicContact CG2-CD1 3.97Å
207K87.5Confident83.3Confident112 Ų11277.3 Ų77.349%0.48738%0.375SS..Hα-helixtrans-60.7-42.4177.7-77.2176.7-177.7171.20112.3I203 D204 R211I203-K207 HydrophobicContact CG2-CD 4.25Å; I203-K207 WeakPolarHBondContact O-CB 3.2Å; I203-K207 WeakPolarHBondContact O-CG 3.47Å; I203-K207 PolarHBondContact O-N 3.04Å; D204-K207 PolarHBondContact O-N 3.2Å; K207-R211 WeakPolarHBondContact O-CB 3.35Å; K207-R211 VanDerWaalsContact O-CG 3.31Å; K207-R211 WeakPolarHBondContact O-CG 3.41Å; K207-R211 PolarHBondContact O-N 2.83Å
208S86.7Confident82.6Confident53 Ų5378.1 Ų78.137%0.37138%0.381SS..Hα-helixtrans-63.6-47.6177.9-174.40000110.9D204 A205 V206 L210 R211 S212D204-S208 WeakPolarHBondContact O-CB 3.29Å; D204-S208 PolarHBondContact O-N 2.68Å; A205-S208 PolarHBondContact O-N 3.46Å; V206-S208 VanDerWaalsContact C-N 3.34Å; V206-S208 PolarHBondContact O-N 2.82Å; S208-L210 PolarHBondContact O-N 3.04Å; S208-R211 PolarHBondContact O-N 3.42Å; S208-R211 VanDerWaalsContact O-N 3.17Å; S208-S212 PolarHBondContact O-N 3.45Å; S208-S212 PolarHBondContact O-OG 3.3Å
209A86.8Confident81.5Confident0 Ų077.3 Ų77.30%039%0.386CS..Hα-helixtrans-60.1-43.7177.900000112.5A205 V206 S212 G213 I256 I260A205-A209 WeakPolarHBondContact O-CB 3.35Å; A205-A209 PolarHBondContact O-N 2.89Å; V206-A209 PolarHBondContact O-N 2.9Å; A209-S212 PolarHBondContact O-N 3.41Å; A209-G213 PolarHBondContact O-N 2.94Å; A209-G213 VanDerWaalsContact O-N 3.13Å; A209-I256 HydrophobicContact CB-CG2 4.43Å; A209-I260 HydrophobicContact CB-CB 4.48Å; A209-I260 HydrophobicContact CB-CD1 3.95Å
210L86.5Confident80.6Confident23 Ų2378.6 Ų78.612%0.1240%0.397CS..Hα-helixtrans-67-36.6176.7-65.2179.8000112.2F193 V206 S208 G213 L214 I225 Y233 I256F193-L210 HydrophobicContact CE2-CD2 3.94Å; F193-L210 HydrophobicContact CZ-CD2 3.91Å; V206-L210 HydrophobicContact CG1-CD1 4.01Å; V206-L210 HydrophobicContact CG1-CG 4.36Å; V206-L210 VanDerWaalsContact O-CG 3.3Å; V206-L210 WeakPolarHBondContact O-CG 3.38Å; V206-L210 PolarHBondContact O-N 2.94Å; S208-L210 PolarHBondContact O-N 3.04Å; L210-G213 PolarHBondContact O-N 3.05Å; L210-L214 WeakPolarHBondContact O-CG 3.14Å; L210-L214 PolarHBondContact O-N 3.29Å; L210-L214 VanDerWaalsContact O-N 3.1Å; L210-I225 HydrophobicContact CB-CD1 4.43Å; L210-I225 HydrophobicContact CD2-CD1 4.1Å; L210-I225 HydrophobicContact CD2-CG2 4.17Å; L210-Y233 HydrophobicContact CD1-CD1 4.02Å; L210-Y233 HydrophobicContact CD1-CE1 3.75Å; L210-I256 HydrophobicContact CD2-CD1 4.49Å
211R87.9Confident80Confident174 Ų17468.2 Ų68.266%0.65736%0.358SS*.Hα-helixtrans-64.8-44173.8-78.1-179.1-170.3-161.54.1112.1K207 S208 G213 L214 E215K207-R211 WeakPolarHBondContact O-CB 3.35Å; K207-R211 VanDerWaalsContact O-CG 3.31Å; K207-R211 WeakPolarHBondContact O-CG 3.41Å; K207-R211 PolarHBondContact O-N 2.83Å; S208-R211 PolarHBondContact O-N 3.42Å; S208-R211 VanDerWaalsContact O-N 3.17Å; R211-G213 PolarHBondContact O-N 3.42Å; R211-L214 WeakPolarHBondContact O-CA 3.31Å; R211-L214 WeakPolarHBondContact O-CB 3.11Å; R211-L214 PolarHBondContact O-N 3.4Å; R211-E215 PolarHBondContact O-N 3.01Å
212S83.5Confident79.8Confident28 Ų2866.1 Ų66.120%0.19635%0.349CS..Hα-helixtrans-59.1-36.2175.3-52.20000111.8S208 A209 L214 E215S208-S212 PolarHBondContact O-N 3.45Å; S208-S212 PolarHBondContact O-OG 3.3Å; A209-S212 PolarHBondContact O-N 3.41Å; S212-L214 VanDerWaalsContact C-N 3.35Å; S212-E215 PolarHBondContact O-N 2.8Å
213G81.2Confident79.9Confident0 Ų066.3 Ų66.30%035%0.349CS..Hα-helixtrans-66.3-33.7173.200000113.7A209 L210 R211A209-G213 PolarHBondContact O-N 2.94Å; A209-G213 VanDerWaalsContact O-N 3.13Å; L210-G213 PolarHBondContact O-N 3.05Å; R211-G213 PolarHBondContact O-N 3.42Å
214L81.3Confident80.1Confident74 Ų7467.9 Ų67.939%0.38735%0.347SS..Hα-helixtrans-76.6-23.8176.5-71161000113.1L210 R211 S212 L216 N217 I225L210-L214 WeakPolarHBondContact O-CG 3.14Å; L210-L214 PolarHBondContact O-N 3.29Å; L210-L214 VanDerWaalsContact O-N 3.1Å; R211-L214 WeakPolarHBondContact O-CA 3.31Å; R211-L214 WeakPolarHBondContact O-CB 3.11Å; R211-L214 PolarHBondContact O-N 3.4Å; S212-L214 VanDerWaalsContact C-N 3.35Å; L214-L216 VanDerWaalsContact C-N 3.28Å; L214-L216 PolarHBondContact O-N 3.29Å; L214-N217 WeakPolarHBondContact O-CB 3.37Å; L214-N217 PolarHBondContact O-N 2.91Å; L214-I225 HydrophobicContact CD2-CD1 4.3Å; L214-I225 HydrophobicContact CD2-CG1 4.3Å; L214-I225 HydrophobicContact CG-CD1 4.05Å
215E79.9Confident80.1Confident159 Ų15964.7 Ų64.774%0.74333%0.33SS*.Hα-helixtrans-71-23.1177.9-74.2-178.5121.400113.2R211 S212 N217R211-E215 PolarHBondContact O-N 3.01Å; S212-E215 PolarHBondContact O-N 2.8Å; E215-N217 PolarHBondContact O-N 3.46Å
216L72.8Confident80.1Confident71 Ų7169 Ų6937%0.37235%0.352SS..THydrogen-bonded Turntrans-75.53.4172.6-78.5140.9000113.5L214 S218 V252 V255L214-L216 VanDerWaalsContact C-N 3.28Å; L214-L216 PolarHBondContact O-N 3.29Å; L216-S218 PolarHBondContact O-N 3.4Å; L216-V252 HydrophobicContact CB-CG2 4.09Å; L216-V255 HydrophobicContact CD1-CB 3.87Å; L216-V255 HydrophobicContact CD1-CG1 3.81Å; L216-V255 HydrophobicContact CD1-CG2 3.66Å
217N69.8Low80.1Confident73 Ų7372.1 Ų72.139%0.3937%0.368SS..  trans-63.9116.2177.9-173.751.6000110.8L214 E215 L221 P222 I223L214-N217 WeakPolarHBondContact O-CB 3.37Å; L214-N217 PolarHBondContact O-N 2.91Å; E215-N217 PolarHBondContact O-N 3.46Å; N217-L221 PolarHBondContact OD1-O 2.88Å; N217-P222 VanDerWaalsContact OD1-CA 3.29Å; N217-P222 WeakPolarHBondContact OD1-CA 3.44Å; N217-I223 PolarHBondContact OD1-N 2.81Å
218S71.2Confident79.9Confident36 Ų3668.1 Ų68.125%0.25235%0.352SS..BIsolated β-bridgetrans-86144.2167.8760000109.9L216 S220 L221L216-S218 PolarHBondContact O-N 3.4Å; S218-S220 PolarHBondContact O-N 3.16Å; S218-S220 PolarHBondContact OG-OG 3.46Å; S218-L221 CarbonylContact O-C 3.49Å; S218-L221 PolarHBondContact O-N 2.73Å
219D61.2Low79.6Confident176 Ų17666.3 Ų66.394%0.94134%0.34SS*.THydrogen-bonded Turntrans-52.9-26.1177.4-92.1-84.6000113.6
220S64.8Low79.2Confident93 Ų9371 Ų7165%0.6537%0.371SS*.THydrogen-bonded Turntrans-79.9-17.5176.551.40000115.1S218S218-S220 PolarHBondContact O-N 3.16Å; S218-S220 PolarHBondContact OG-OG 3.46Å
221L70Confident79.2Confident16 Ų1672.2 Ų72.28%0.08438%0.38CS..BIsolated β-bridgetrans-13783-173.2-78.5117.7000110.9N217 S218 I223N217-L221 PolarHBondContact OD1-O 2.88Å; S218-L221 CarbonylContact O-C 3.49Å; S218-L221 PolarHBondContact O-N 2.73Å; L221-I223 PolarHBondContact O-N 2.93Å; L221-I223 VanDerWaalsContact O-N 3.13Å
222P80Confident79.3Confident57 Ų5766.5 Ų66.537%0.3736%0.362SS..  trans-67113.2-17927-33.7000111.5N217 T237N217-P222 VanDerWaalsContact OD1-CA 3.29Å; N217-P222 WeakPolarHBondContact OD1-CA 3.44Å; P222-T237 PolarHBondContact O-OG1 2.86Å
223I83.9Confident79.5Confident11 Ų1166.8 Ų66.86%0.05636%0.359CS..EExtended strand (participates in β ladder)trans-91.4130.6175-59.1-178.6000109.9N217 L221 L235 V252N217-I223 PolarHBondContact OD1-N 2.81Å; L221-I223 PolarHBondContact O-N 2.93Å; L221-I223 VanDerWaalsContact O-N 3.13Å; I223-L235 HydrophobicContact CG2-CD1 3.26Å; I223-L235 HydrophobicContact CG2-CG 4.18Å; I223-V252 HydrophobicContact CD1-CG2 3.67Å
224R85.6Confident79.9Confident156 Ų15667 Ų6759%0.58936%0.36SS*.EExtended strand (participates in β ladder)trans-123.6132.7174.8-64.7-178-179.4150.91.6110.1T236R224-T236 PolarHBondContact N-O 2.82Å; R224-T236 PolarHBondContact O-N 2.91Å
225I87.4Confident80.3Confident32 Ų3263.4 Ų63.416%0.16434%0.342CS..EExtended strand (participates in β ladder)trans-112.3119174.5-57.4177.1000107.7F193 L210 L214 Y233 V234 L235 I256F193-I225 HydrophobicContact CZ-CG2 4.29Å; L210-I225 HydrophobicContact CB-CD1 4.43Å; L210-I225 HydrophobicContact CD2-CD1 4.1Å; L210-I225 HydrophobicContact CD2-CG2 4.17Å; L214-I225 HydrophobicContact CD2-CD1 4.3Å; L214-I225 HydrophobicContact CD2-CG1 4.3Å; L214-I225 HydrophobicContact CG-CD1 4.05Å; I225-Y233 HydrophobicContact CG2-CD1 4.44Å; I225-V234 CarbonylContact C-O 3.52Å; I225-V234 WeakPolarHBondContact CA-O 3.26Å; I225-L235 HydrophobicContact CD1-CD1 4.01Å; I225-L235 HydrophobicContact CG1-CD1 3.43Å; I225-L235 VanDerWaalsContact CG1-CD1 3.43Å; I225-I256 HydrophobicContact CD1-CD1 4.4Å
226N86.9Confident80.6Confident89 Ų8957 Ų5748%0.47631%0.313SS..EExtended strand (participates in β ladder)trans-112.9149.4172.6-66-15.1000109.6V234N226-V234 HydrophobicContact CB-CG1 3.73Å; N226-V234 PolarHBondContact N-O 3.34Å; N226-V234 WeakPolarHBondContact O-CG1 3.31Å; N226-V234 PolarHBondContact O-N 3.03Å
227L86.4Confident81.3Confident82 Ų8253.8 Ų53.843%0.42930%0.296SS..EExtended strand (participates in β ladder)trans-91.4129.3170172.9127.6000108.1P230 Y233L227-P230 HydrophobicContact CD1-CG 4.4Å; L227-Y233 HydrophobicContact CB-CD1 4.07Å; L227-Y233 HydrophobicContact CB-CE1 4.04Å; L227-Y233 HydrophobicContact CD1-CD1 4.16Å; L227-Y233 HydrophobicContact CD1-CE1 3.46Å; L227-Y233 VanDerWaalsContact CD1-CE1 3.46Å; L227-Y233 HydrophobicContact CG-CE1 4.26Å
228I84Confident82Confident27 Ų2754 Ų5414%0.13830%0.295CS..EExtended strand (participates in β ladder)trans-90.1-55.4173.3-59.6-177.8000108.7L232 V234 M288 L291I228-L232 PolarHBondContact N-O 3.04Å; I228-L232 VanDerWaalsContact N-O 3.09Å; I228-V234 HydrophobicContact CD1-CB 3.9Å; I228-V234 HydrophobicContact CD1-CG1 4.06Å; I228-V234 HydrophobicContact CG1-CB 4.15Å; I228-V234 HydrophobicContact CG1-CG1 3.84Å; I228-M288 HydrophobicContact CB-SD 3.86Å; I228-M288 HydrophobicContact CG1-SD 3.67Å; I228-M288 HydrophobicContact CG2-SD 3.71Å; I228-L291 HydrophobicContact CG2-CD1 3.56Å
229A80.5Confident82.6Confident15 Ų1552.9 Ų52.912%0.12429%0.287CS..EExtended strand (participates in β ladder)trans-152.8144.9175.400000107.3P231 L232A229-P231 CarbonylContact O-C 3.46Å; A229-L232 PolarHBondContact N-O 3.15Å; A229-L232 CarbonylContact O-C 3.4Å; A229-L232 VanDerWaalsContact O-CA 3.24Å; A229-L232 WeakPolarHBondContact O-CA 3.46Å; A229-L232 WeakPolarHBondContact O-CB 3.2Å; A229-L232 PolarHBondContact O-N 3.36Å
230P79.2Confident83.5Confident100 Ų10049.7 Ų49.765%0.64927%0.268SS*.THydrogen-bonded Turntrans-61.3127.3167.6-14.928.8000108.7L227L227-P230 HydrophobicContact CD1-CG 4.4Å
231P85.8Confident84.2Confident48 Ų4849.7 Ų49.731%0.31226%0.26SS..THydrogen-bonded Turncis-100.115.54.136.1-31.9000116.7E194 V195 A229 Y233E194-P231 WeakPolarHBondContact CA-O 3.4Å; E194-P231 HydrophobicContact CG-CB 3.85Å; E194-P231 HydrophobicContact CG-CG 3.6Å; E194-P231 VanDerWaalsContact OE1-CG 3.3Å; E194-P231 WeakPolarHBondContact OE1-CG 3.48Å; V195-P231 PolarHBondContact N-O 3.28Å; V195-P231 WeakPolarHBondContact O-CB 3.13Å; A229-P231 CarbonylContact O-C 3.46Å; P231-Y233 VanDerWaalsContact O-CD2 3.28Å; P231-Y233 WeakPolarHBondContact O-CD2 3.35Å; P231-Y233 WeakPolarHBondContact O-CE2 3.47Å
232L89.6Confident84.7Confident53 Ų5356.5 Ų56.528%0.27729%0.285SS..EExtended strand (participates in β ladder)trans-82.9122.3179-72.8154.2000114.2I228 A229 Q270I228-L232 PolarHBondContact N-O 3.04Å; I228-L232 VanDerWaalsContact N-O 3.09Å; A229-L232 PolarHBondContact N-O 3.15Å; A229-L232 CarbonylContact O-C 3.4Å; A229-L232 VanDerWaalsContact O-CA 3.24Å; A229-L232 WeakPolarHBondContact O-CA 3.46Å; A229-L232 WeakPolarHBondContact O-CB 3.2Å; A229-L232 PolarHBondContact O-N 3.36Å; L232-Q270 HydrophobicContact CD2-CG 3.87Å
233Y89Confident84.9Confident34 Ų3456.6 Ų56.613%0.13329%0.291CS..EExtended strand (participates in β ladder)trans-118.9151.4175.3-62-90.5000110.9F193 V195 V206 L210 I225 L227 P231F193-Y233 HydrophobicContact CE2-CG 4.38Å; F193-Y233 HydrophobicContact CZ-CG 4.41Å; F193-Y233 PolarHBondContact N-O 2.85Å; F193-Y233 PolarHBondContact O-N 3.46Å; F193-Y233 VanDerWaalsContact O-O 3.05Å; V195-Y233 HydrophobicContact CB-CD2 4.07Å; V195-Y233 HydrophobicContact CB-CE2 3.95Å; V195-Y233 HydrophobicContact CG2-CD2 3.96Å; V195-Y233 HydrophobicContact CG2-CE2 4.31Å; V206-Y233 HydrophobicContact CG1-CE2 4.4Å; L210-Y233 HydrophobicContact CD1-CD1 4.02Å; L210-Y233 HydrophobicContact CD1-CE1 3.75Å; I225-Y233 HydrophobicContact CG2-CD1 4.44Å; L227-Y233 HydrophobicContact CB-CD1 4.07Å; L227-Y233 HydrophobicContact CB-CE1 4.04Å; L227-Y233 HydrophobicContact CD1-CD1 4.16Å; L227-Y233 HydrophobicContact CD1-CE1 3.46Å; L227-Y233 VanDerWaalsContact CD1-CE1 3.46Å; L227-Y233 HydrophobicContact CG-CE1 4.26Å; P231-Y233 VanDerWaalsContact O-CD2 3.28Å; P231-Y233 WeakPolarHBondContact O-CD2 3.35Å; P231-Y233 WeakPolarHBondContact O-CE2 3.47Å
234V89.3Confident84.9Confident4 Ų457.9 Ų57.92%0.02430%0.303CS..EExtended strand (participates in β ladder)trans-121128.7174.4630000111.2R190 D192 I225 N226 I228R190-V234 HydrophobicContact CG-CG2 3.44Å; R190-V234 VanDerWaalsContact CG-CG2 3.44Å; D192-V234 VanDerWaalsContact OD1-CG2 3.22Å; D192-V234 WeakPolarHBondContact OD1-CG2 3.49Å; I225-V234 CarbonylContact C-O 3.52Å; I225-V234 WeakPolarHBondContact CA-O 3.26Å; N226-V234 HydrophobicContact CB-CG1 3.73Å; N226-V234 PolarHBondContact N-O 3.34Å; N226-V234 WeakPolarHBondContact O-CG1 3.31Å; N226-V234 PolarHBondContact O-N 3.03Å; I228-V234 HydrophobicContact CD1-CB 3.9Å; I228-V234 HydrophobicContact CD1-CG1 4.06Å; I228-V234 HydrophobicContact CG1-CB 4.15Å; I228-V234 HydrophobicContact CG1-CG1 3.84Å
235L88.3Confident84.7Confident0 Ų050.5 Ų50.50%028%0.275CS..EExtended strand (participates in β ladder)trans-96.8123.9171.3-168.264.2000108.4R190 A191 F193 I223 I225 L249 V252 L253R190-L235 CarbonylContact C-O 3.41Å; R190-L235 VanDerWaalsContact CA-O 3.23Å; R190-L235 WeakPolarHBondContact CA-O 3.2Å; A191-L235 HydrophobicContact CB-CB 4.39Å; A191-L235 PolarHBondContact N-O 3.34Å; A191-L235 PolarHBondContact O-N 3.12Å; F193-L235 HydrophobicContact CD1-CB 4.39Å; F193-L235 HydrophobicContact CE1-CB 3.89Å; I223-L235 HydrophobicContact CG2-CD1 3.26Å; I223-L235 HydrophobicContact CG2-CG 4.18Å; I225-L235 HydrophobicContact CD1-CD1 4.01Å; I225-L235 HydrophobicContact CG1-CD1 3.43Å; I225-L235 VanDerWaalsContact CG1-CD1 3.43Å; L235-L249 HydrophobicContact CB-CD2 4.21Å; L235-L249 HydrophobicContact CD2-CD2 3.55Å; L235-L249 HydrophobicContact CD2-CG 3.59Å; L235-L249 HydrophobicContact CG-CD2 3.93Å; L235-L249 HydrophobicContact CG-CG 4.11Å; L235-V252 HydrophobicContact CD1-CG1 4.46Å; L235-V252 HydrophobicContact CD2-CB 4.46Å; L235-V252 HydrophobicContact CD2-CG1 4.02Å; L235-L253 HydrophobicContact CD2-CD2 3.93Å; L235-L253 HydrophobicContact CD2-CG 4.29Å
236T87.9Confident84.6Confident24 Ų2451.6 Ų51.615%0.14728%0.281CS..EExtended strand (participates in β ladder)trans-123131.3175.4-53.50000109.9I189 R224I189-T236 WeakPolarHBondContact O-CA 3.45Å; R224-T236 PolarHBondContact N-O 2.82Å; R224-T236 PolarHBondContact O-N 2.91Å
237T86.2Confident84.6Confident3 Ų354.2 Ų54.22%0.01829%0.29CS..EExtended strand (participates in β ladder)trans-127.3158.4167.3-164.10000110.7K188 I189 P222 L249K188-T237 WeakPolarHBondContact CA-O 3.49Å; I189-T237 HydrophobicContact CB-CG2 3.85Å; I189-T237 HydrophobicContact CD1-CG2 4.47Å; I189-T237 PolarHBondContact N-O 2.96Å; I189-T237 PolarHBondContact O-N 2.88Å; P222-T237 PolarHBondContact O-OG1 2.86Å; T237-L249 HydrophobicContact CG2-CD1 3.17Å
238Q86Confident84.4Confident79 Ų7952.9 Ų52.937%0.36928%0.282SS..EExtended strand (participates in β ladder)trans-120.4122.2172.2-57.4-166.9-7.700108.9K188K188-Q238 HydrophobicContact CG-CG 4.14Å
239T83.7Confident84.6Confident12 Ų1251.7 Ų51.77%0.07428%0.276CS..EExtended strand (participates in β ladder)trans-139.6151.5-179.3-179.40000111.5V187 I189 D241V187-T239 PolarHBondContact N-O 2.88Å; V187-T239 PolarHBondContact O-N 3.34Å; I189-T239 HydrophobicContact CD1-CG2 3.48Å; I189-T239 VanDerWaalsContact CD1-CG2 3.48Å; I189-T239 HydrophobicContact CG1-CG2 4.19Å; T239-D241 WeakPolarHBondContact CG2-O 3.31Å; T239-D241 PolarHBondContact OG1-N 3.37Å; T239-D241 PolarHBondContact OG1-O 3.41Å
240M79.3Confident84.9Confident109 Ų10954.7 Ų54.754%0.53729%0.29SS..SBendtrans-79.4-29.5169.2-59.6-59.2-173.400111.6T183 P184 A186T183-M240 HydrophobicContact CG2-CE 4.49Å; P184-M240 HydrophobicContact CG-SD 4.44Å; A186-M240 HydrophobicContact CB-CE 4.1Å; A186-M240 HydrophobicContact CB-SD 3.9Å
241D79.3Confident85.3Confident92 Ų9255.3 Ų55.349%0.49228%0.284SS..  trans-105.4115.5-178.6-166.7-19000110.9T239 A243 A244 G245T239-D241 WeakPolarHBondContact CG2-O 3.31Å; T239-D241 PolarHBondContact OG1-N 3.37Å; T239-D241 PolarHBondContact OG1-O 3.41Å; D241-A243 VanDerWaalsContact C-N 3.33Å; D241-A243 PolarHBondContact O-N 2.86Å; D241-A243 PolarHBondContact OD1-N 2.82Å; D241-A244 HydrophobicContact CB-CB 4.13Å; D241-G245 PolarHBondContact O-N 2.79Å
242R80.6Confident85.3Confident159 Ų15953.2 Ų53.260%0.627%0.271SS*.Hα-helixtrans-63.9-37.9-178.6-62.4178.1-176.7179.5-2.8112V187 L246V187-R242 HydrophobicContact CG2-CG 4.29Å; R242-L246 WeakPolarHBondContact O-CD1 3.38Å; R242-L246 VanDerWaalsContact O-CG 3.25Å; R242-L246 WeakPolarHBondContact O-CG 3.22Å; R242-L246 PolarHBondContact O-N 3.28Å
243A84.8Confident85.2Confident60 Ų6051 Ų5150%0.49626%0.259SS..Hα-helixtrans-74-51.7-174.700000110.5D241 G245 L246 E247D241-A243 VanDerWaalsContact C-N 3.33Å; D241-A243 PolarHBondContact O-N 2.86Å; D241-A243 PolarHBondContact OD1-N 2.82Å; A243-G245 VanDerWaalsContact C-N 3.29Å; A243-G245 PolarHBondContact O-N 3.45Å; A243-L246 PolarHBondContact O-N 3.35Å; A243-L246 VanDerWaalsContact O-N 3.15Å; A243-E247 PolarHBondContact O-N 2.95Å; A243-E247 VanDerWaalsContact O-N 3.09Å
244A82.6Confident85.2Confident37 Ų3753.6 Ų53.631%0.30628%0.275SS..Hα-helixtrans-59.4-39.4179.300000112.4D241 E247 Q248D241-A244 HydrophobicContact CB-CB 4.13Å; A244-E247 PolarHBondContact O-N 3.32Å; A244-Q248 PolarHBondContact O-N 2.65Å
245G81.9Confident85.2Confident1 Ų155.2 Ų55.21%0.0129%0.285CS..Hα-helixtrans-70.8-30.8178.500000114.2D241 A243 L249D241-G245 PolarHBondContact O-N 2.79Å; A243-G245 VanDerWaalsContact C-N 3.29Å; A243-G245 PolarHBondContact O-N 3.45Å; G245-L249 WeakPolarHBondContact O-CB 3.34Å; G245-L249 PolarHBondContact O-N 2.95Å; G245-L249 VanDerWaalsContact O-N 3.11Å
246L85.1Confident85.2Confident55 Ų5555.2 Ų55.229%0.28829%0.285SS..Hα-helixtrans-70.5-40.9174-74.9171000111.5I189 R242 A243 L249 N250 A273I189-L246 HydrophobicContact CD1-CG 4.26Å; I189-L246 HydrophobicContact CG2-CD2 3.84Å; R242-L246 WeakPolarHBondContact O-CD1 3.38Å; R242-L246 VanDerWaalsContact O-CG 3.25Å; R242-L246 WeakPolarHBondContact O-CG 3.22Å; R242-L246 PolarHBondContact O-N 3.28Å; A243-L246 PolarHBondContact O-N 3.35Å; A243-L246 VanDerWaalsContact O-N 3.15Å; L246-L249 PolarHBondContact O-N 2.6Å; L246-N250 PolarHBondContact O-N 3.16Å; L246-N250 VanDerWaalsContact O-N 3.11Å; L246-N250 PolarHBondContact O-ND2 3.03Å; L246-A273 HydrophobicContact CD2-CB 3.67Å; L246-A273 WeakPolarHBondContact CD2-O 3.37Å
247E86.9Confident85.2Confident144 Ų14457.7 Ų57.767%0.67329%0.294SS*.Hα-helixtrans-64.2-48.9177.4-72.1-176156.400111.5A243 A244 L249 N250 E251A243-E247 PolarHBondContact O-N 2.95Å; A243-E247 VanDerWaalsContact O-N 3.09Å; A244-E247 PolarHBondContact O-N 3.32Å; E247-L249 VanDerWaalsContact C-N 3.33Å; E247-L249 PolarHBondContact O-N 2.94Å; E247-N250 PolarHBondContact O-N 3.06Å; E247-E251 PolarHBondContact O-N 3.37Å
248Q83.3Confident85.4Confident55 Ų5564.3 Ų64.326%0.25732%0.322SS..Hα-helixtrans-61.7-39.7177.2-77.5-163.7-14.400112.7A244 N250 E251 V252A244-Q248 PolarHBondContact O-N 2.65Å; Q248-N250 VanDerWaalsContact C-N 3.32Å; Q248-N250 PolarHBondContact O-N 2.78Å; Q248-E251 PolarHBondContact O-N 2.96Å; Q248-V252 VanDerWaalsContact O-CG2 3.23Å; Q248-V252 WeakPolarHBondContact O-CG2 3.24Å; Q248-V252 PolarHBondContact O-N 3.21Å
249L86.5Confident85.5Confident2 Ų261.8 Ų61.81%0.0131%0.313CS..Hα-helixtrans-61.3-44.3176.4-119.7106.2000111.4I189 A191 L235 T237 G245 L246 E247 E251 V252 L253 A273I189-L249 HydrophobicContact CB-CD1 4.29Å; I189-L249 HydrophobicContact CG2-CD1 3.94Å; I189-L249 HydrophobicContact CG2-CD2 4.43Å; A191-L249 HydrophobicContact CB-CD2 3.4Å; A191-L249 VanDerWaalsContact CB-CD2 3.4Å; L235-L249 HydrophobicContact CB-CD2 4.21Å; L235-L249 HydrophobicContact CD2-CD2 3.55Å; L235-L249 HydrophobicContact CD2-CG 3.59Å; L235-L249 HydrophobicContact CG-CD2 3.93Å; L235-L249 HydrophobicContact CG-CG 4.11Å; T237-L249 HydrophobicContact CG2-CD1 3.17Å; G245-L249 WeakPolarHBondContact O-CB 3.34Å; G245-L249 PolarHBondContact O-N 2.95Å; G245-L249 VanDerWaalsContact O-N 3.11Å; L246-L249 PolarHBondContact O-N 2.6Å; E247-L249 VanDerWaalsContact C-N 3.33Å; E247-L249 PolarHBondContact O-N 2.94Å; L249-E251 VanDerWaalsContact C-N 3.33Å; L249-E251 PolarHBondContact O-N 3.43Å; L249-V252 PolarHBondContact O-N 3.08Å; L249-L253 VanDerWaalsContact O-CG 3.29Å; L249-L253 WeakPolarHBondContact O-CG 3.41Å; L249-L253 PolarHBondContact O-N 3.39Å; L249-A273 HydrophobicContact CB-CB 4.05Å; L249-A273 HydrophobicContact CD2-CB 3.81Å
250N87.3Confident85.6Confident77 Ų7761.2 Ų61.241%0.41231%0.31SS..Hα-helixtrans-65-38.8179.3-73.7-31.8000111.8L246 E247 Q248 V252 L253 D254L246-N250 PolarHBondContact O-N 3.16Å; L246-N250 VanDerWaalsContact O-N 3.11Å; L246-N250 PolarHBondContact O-ND2 3.03Å; E247-N250 PolarHBondContact O-N 3.06Å; Q248-N250 VanDerWaalsContact C-N 3.32Å; Q248-N250 PolarHBondContact O-N 2.78Å; N250-V252 VanDerWaalsContact C-N 3.33Å; N250-V252 PolarHBondContact O-N 3.03Å; N250-L253 PolarHBondContact O-N 2.89Å; N250-D254 PolarHBondContact O-N 2.98Å
251E87.8Confident86Confident114 Ų11461.1 Ų61.153%0.53331%0.308SS..Hα-helixtrans-61.8-42.4175-170.7173.4-167.700111.6E247 Q248 L249 D254 V255E247-E251 PolarHBondContact O-N 3.37Å; Q248-E251 PolarHBondContact O-N 2.96Å; L249-E251 VanDerWaalsContact C-N 3.33Å; L249-E251 PolarHBondContact O-N 3.43Å; E251-D254 PolarHBondContact O-N 3.08Å; E251-V255 WeakPolarHBondContact O-CG2 3.33Å; E251-V255 PolarHBondContact O-N 2.88Å
252V86Confident86.3Confident4 Ų461.2 Ų61.22%0.02432%0.316CS..Hα-helixtrans-64.5-42.7175.9171.80000111.3L216 I223 L235 Q248 L249 N250 D254 V255 I256L216-V252 HydrophobicContact CB-CG2 4.09Å; I223-V252 HydrophobicContact CD1-CG2 3.67Å; L235-V252 HydrophobicContact CD1-CG1 4.46Å; L235-V252 HydrophobicContact CD2-CB 4.46Å; L235-V252 HydrophobicContact CD2-CG1 4.02Å; Q248-V252 VanDerWaalsContact O-CG2 3.23Å; Q248-V252 WeakPolarHBondContact O-CG2 3.24Å; Q248-V252 PolarHBondContact O-N 3.21Å; L249-V252 PolarHBondContact O-N 3.08Å; N250-V252 VanDerWaalsContact C-N 3.33Å; N250-V252 PolarHBondContact O-N 3.03Å; V252-D254 VanDerWaalsContact C-N 3.32Å; V252-D254 PolarHBondContact O-N 3.23Å; V252-V255 PolarHBondContact O-N 2.77Å; V252-I256 HydrophobicContact CG1-CD1 3.91Å; V252-I256 VanDerWaalsContact O-CG1 3.3Å; V252-I256 WeakPolarHBondContact O-CG1 3.32Å; V252-I256 PolarHBondContact O-N 3.33Å
253L87.8Confident86.3Confident5 Ų557.1 Ų57.13%0.02630%0.303CS..Hα-helixtrans-61.3-40.2175.1-68.1179.5000111.6A191 F193 L235 L249 N250 I256 K257 F267 I269A191-L253 HydrophobicContact CB-CD1 4.08Å; F193-L253 HydrophobicContact CB-CD2 4.43Å; F193-L253 HydrophobicContact CD1-CD2 3.88Å; F193-L253 HydrophobicContact CE1-CD2 4.36Å; F193-L253 HydrophobicContact CG-CD2 4.11Å; L235-L253 HydrophobicContact CD2-CD2 3.93Å; L235-L253 HydrophobicContact CD2-CG 4.29Å; L249-L253 VanDerWaalsContact O-CG 3.29Å; L249-L253 WeakPolarHBondContact O-CG 3.41Å; L249-L253 PolarHBondContact O-N 3.39Å; N250-L253 PolarHBondContact O-N 2.89Å; L253-I256 PolarHBondContact O-N 2.99Å; L253-K257 VanDerWaalsContact O-CB 3.28Å; L253-K257 WeakPolarHBondContact O-CB 3.33Å; L253-K257 PolarHBondContact O-N 3.28Å; L253-F267 HydrophobicContact CB-CZ 4.39Å; L253-F267 HydrophobicContact CD2-CZ 4.15Å; L253-I269 HydrophobicContact CD1-CD1 4.42Å
254D88.9Confident86.1Confident89 Ų8957 Ų5748%0.47631%0.309SS..Hα-helixtrans-66.3-36.4177-89.8-25.6000112.6N250 E251 V252 K258N250-D254 PolarHBondContact O-N 2.98Å; E251-D254 PolarHBondContact O-N 3.08Å; V252-D254 VanDerWaalsContact C-N 3.32Å; V252-D254 PolarHBondContact O-N 3.23Å; D254-K258 WeakPolarHBondContact O-CG 3.11Å; D254-K258 PolarHBondContact O-N 3.49Å
255V89.1Confident86.1Confident38 Ų3855.9 Ų55.923%0.2330%0.3CS..Hα-helixtrans-68-45.5175.2170.70000110.9L216 E251 V252 K257 K258 S259L216-V255 HydrophobicContact CD1-CB 3.87Å; L216-V255 HydrophobicContact CD1-CG1 3.81Å; L216-V255 HydrophobicContact CD1-CG2 3.66Å; E251-V255 WeakPolarHBondContact O-CG2 3.33Å; E251-V255 PolarHBondContact O-N 2.88Å; V252-V255 PolarHBondContact O-N 2.77Å; V255-K257 VanDerWaalsContact C-N 3.3Å; V255-K257 PolarHBondContact O-N 3.42Å; V255-K258 PolarHBondContact O-N 2.93Å; V255-S259 PolarHBondContact O-N 3.04Å; V255-S259 PolarHBondContact O-OG 3.12Å
256I87.6Confident86.3Confident0 Ų058.9 Ų58.90%032%0.321CS..Hα-helixtrans-59.7-44.1175.7-66.4166.5000110.2F193 A209 L210 I225 V252 L253 S259 I260 F267F193-I256 HydrophobicContact CE2-CD1 4.44Å; F193-I256 HydrophobicContact CE2-CG2 4.27Å; F193-I256 HydrophobicContact CZ-CD1 4.27Å; A209-I256 HydrophobicContact CB-CG2 4.43Å; L210-I256 HydrophobicContact CD2-CD1 4.49Å; I225-I256 HydrophobicContact CD1-CD1 4.4Å; V252-I256 HydrophobicContact CG1-CD1 3.91Å; V252-I256 VanDerWaalsContact O-CG1 3.3Å; V252-I256 WeakPolarHBondContact O-CG1 3.32Å; V252-I256 PolarHBondContact O-N 3.33Å; L253-I256 PolarHBondContact O-N 2.99Å; I256-S259 PolarHBondContact O-N 3.23Å; I256-I260 PolarHBondContact O-N 3.35Å; I256-F267 HydrophobicContact CB-CE2 4.44Å; I256-F267 HydrophobicContact CG2-CD2 4.18Å; I256-F267 HydrophobicContact CG2-CE2 3.83Å
257K89.3Confident86.4Confident77 Ų7757.7 Ų57.734%0.33531%0.314SS..Hα-helixtrans-59.3-48.7177.3-178.5179.6175.2-174.60111.9L253 V255 S259 I260 E261 F267L253-K257 VanDerWaalsContact O-CB 3.28Å; L253-K257 WeakPolarHBondContact O-CB 3.33Å; L253-K257 PolarHBondContact O-N 3.28Å; V255-K257 VanDerWaalsContact C-N 3.3Å; V255-K257 PolarHBondContact O-N 3.42Å; K257-S259 PolarHBondContact O-N 3.27Å; K257-I260 WeakPolarHBondContact O-CG2 3.27Å; K257-I260 PolarHBondContact O-N 2.82Å; K257-E261 WeakPolarHBondContact CE-OE1 3.44Å; K257-E261 HydrophobicContact CG-CG 4.38Å; K257-E261 IonicContact NZ-OE1 2.6Å; K257-E261 WeakPolarHBondContact O-CB 3.41Å; K257-E261 WeakPolarHBondContact O-CG 3.15Å; K257-E261 PolarHBondContact O-N 3.37Å; K257-F267 HydrophobicContact CB-CB 4.47Å; K257-F267 HydrophobicContact CB-CD1 3.86Å; K257-F267 HydrophobicContact CB-CE1 4.15Å; K257-F267 HydrophobicContact CB-CG 4.04Å; K257-F267 HydrophobicContact CD-CD1 4.05Å; K257-F267 HydrophobicContact CG-CB 4.14Å; K257-F267 HydrophobicContact CG-CD1 3.87Å; K257-F267 HydrophobicContact CG-CG 4.13Å
258K89.8Confident86.5Confident141 Ų14157.1 Ų57.161%0.61331%0.309SS*.Hα-helixtrans-62-44.4178.3-74.8170.3-175.2168.10112.1D254 V255 I260 S262D254-K258 WeakPolarHBondContact O-CG 3.11Å; D254-K258 PolarHBondContact O-N 3.49Å; V255-K258 PolarHBondContact O-N 2.93Å; K258-I260 PolarHBondContact O-N 3.06Å; K258-S262 WeakPolarHBondContact O-CB 3.17Å; K258-S262 PolarHBondContact O-N 3.05Å
259S87.3Confident86.7Confident26 Ų2658.4 Ų58.418%0.18232%0.317CS..Hα-helixtrans-61.7-42.7177.9-730000112V255 I256 K257 S262V255-S259 PolarHBondContact O-N 3.04Å; V255-S259 PolarHBondContact O-OG 3.12Å; I256-S259 PolarHBondContact O-N 3.23Å; K257-S259 PolarHBondContact O-N 3.27Å; S259-S262 PolarHBondContact O-OG 3.28Å
260I86.6Confident86.5Confident0 Ų063.7 Ų63.70%034%0.341CS..Hα-helixtrans-74.2-38.3-179.3-148.780.6000112.7V195 C197 V206 A209 I256 K257 K258 S262 Q263 G264 G265 F267V195-I260 HydrophobicContact CG1-CB 4.36Å; V195-I260 HydrophobicContact CG1-CD1 3.41Å; V195-I260 VanDerWaalsContact CG1-CD1 3.41Å; V195-I260 HydrophobicContact CG1-CG1 3.59Å; C197-I260 HydrophobicContact CB-CD1 4.49Å; V206-I260 HydrophobicContact CG2-CD1 3.97Å; A209-I260 HydrophobicContact CB-CB 4.48Å; A209-I260 HydrophobicContact CB-CD1 3.95Å; I256-I260 PolarHBondContact O-N 3.35Å; K257-I260 WeakPolarHBondContact O-CG2 3.27Å; K257-I260 PolarHBondContact O-N 2.82Å; K258-I260 PolarHBondContact O-N 3.06Å; I260-S262 VanDerWaalsContact C-N 3.3Å; I260-S262 PolarHBondContact O-N 2.85Å; I260-Q263 PolarHBondContact O-N 3.03Å; I260-Q263 VanDerWaalsContact O-N 3.16Å; I260-G264 PolarHBondContact O-N 3Å; I260-G265 PolarHBondContact O-N 3.42Å; I260-F267 HydrophobicContact CG2-CB 3.72Å; I260-F267 HydrophobicContact CG2-CD2 4.48Å
261E87.1Confident86.3Confident107 Ų10763.4 Ų63.450%0.534%0.338SS..Hα-helixtrans-63.8-37176.6-76178.7170.400111K257 Q263 G264K257-E261 WeakPolarHBondContact CE-OE1 3.44Å; K257-E261 HydrophobicContact CG-CG 4.38Å; K257-E261 IonicContact NZ-OE1 2.6Å; K257-E261 WeakPolarHBondContact O-CB 3.41Å; K257-E261 WeakPolarHBondContact O-CG 3.15Å; K257-E261 PolarHBondContact O-N 3.37Å; E261-Q263 PolarHBondContact O-N 2.88Å; E261-G264 PolarHBondContact O-N 3.44Å; E261-G264 VanDerWaalsContact O-N 3.16Å
262S86.4Confident86.1Confident94 Ų9461.1 Ų61.166%0.65734%0.338SS*.Hα-helixtrans-61.5-26176.277.60000114K258 S259 I260K258-S262 WeakPolarHBondContact O-CB 3.17Å; K258-S262 PolarHBondContact O-N 3.05Å; S259-S262 PolarHBondContact O-OG 3.28Å; I260-S262 VanDerWaalsContact C-N 3.3Å; I260-S262 PolarHBondContact O-N 2.85Å
263Q80.6Confident86.1Confident73 Ų7361.8 Ų61.834%0.34134%0.344SS..THydrogen-bonded Turntrans-102.710-177.9-60.7-172.94800112.3T199 A205 I260 E261T199-Q263 WeakPolarHBondContact CG2-O 3.47Å; A205-Q263 HydrophobicContact CB-CB 3.94Å; A205-Q263 HydrophobicContact CB-CG 4.43Å; I260-Q263 PolarHBondContact O-N 3.03Å; I260-Q263 VanDerWaalsContact O-N 3.16Å; E261-Q263 PolarHBondContact O-N 2.88Å
264G79.6Confident86Confident59 Ų5966.1 Ų66.161%0.60836%0.36SS*.THydrogen-bonded Turntrans76.918.8177.800000114.5I260 E261I260-G264 PolarHBondContact O-N 3Å; E261-G264 PolarHBondContact O-N 3.44Å; E261-G264 VanDerWaalsContact O-N 3.16Å
265G83.5Confident85.7Confident12 Ų1264.8 Ų64.812%0.12436%0.355CS..  trans-86.7168171.200000113.3S196 I260S196-G265 CarbonylContact O-C 3.6Å; S196-G265 WeakPolarHBondContact O-CA 3.38Å; I260-G265 PolarHBondContact O-N 3.42Å
266S85.5Confident85.3Confident64 Ų6463.8 Ų63.845%0.44835%0.349SS..EExtended strand (participates in β ladder)trans-111.5139.6174.388.50000110.8S196S196-S266 PolarHBondContact N-O 2.67Å; S196-S266 PolarHBondContact O-N 2.9Å; S196-S266 PolarHBondContact OG-OG 2.83Å
267F87.7Confident84.8Confident31 Ų3166 Ų6614%0.13636%0.364CS..EExtended strand (participates in β ladder)trans-122.2127.8179.9-176.2-97.4000109.6F193 E194 V195 L253 I256 K257 I260 I269F193-F267 HydrophobicContact CB-CE2 4.03Å; F193-F267 HydrophobicContact CB-CZ 3.89Å; F193-F267 HydrophobicContact CD2-CD2 4.28Å; F193-F267 AromaticContact CD2-CE2 3.4Å; F193-F267 HydrophobicContact CD2-CE2 3.4Å; F193-F267 VanDerWaalsContact CD2-CE2 3.4Å; F193-F267 HydrophobicContact CD2-CZ 4.05Å; F193-F267 HydrophobicContact CE2-CE2 4.15Å; F193-F267 AromaticContact CG-CE2 4Å; F193-F267 HydrophobicContact CG-CE2 4Å; F193-F267 HydrophobicContact CG-CZ 4.18Å; E194-F267 WeakPolarHBondContact O-CA 3.23Å; V195-F267 HydrophobicContact CG2-CD2 4.1Å; V195-F267 HydrophobicContact CG2-CE2 4.29Å; L253-F267 HydrophobicContact CB-CZ 4.39Å; L253-F267 HydrophobicContact CD2-CZ 4.15Å; I256-F267 HydrophobicContact CB-CE2 4.44Å; I256-F267 HydrophobicContact CG2-CD2 4.18Å; I256-F267 HydrophobicContact CG2-CE2 3.83Å; K257-F267 HydrophobicContact CB-CB 4.47Å; K257-F267 HydrophobicContact CB-CD1 3.86Å; K257-F267 HydrophobicContact CB-CE1 4.15Å; K257-F267 HydrophobicContact CB-CG 4.04Å; K257-F267 HydrophobicContact CD-CD1 4.05Å; K257-F267 HydrophobicContact CG-CB 4.14Å; K257-F267 HydrophobicContact CG-CD1 3.87Å; K257-F267 HydrophobicContact CG-CG 4.13Å; I260-F267 HydrophobicContact CG2-CB 3.72Å; I260-F267 HydrophobicContact CG2-CD2 4.48Å; F267-I269 HydrophobicContact CD1-CG1 4.26Å; F267-I269 HydrophobicContact CE1-CD1 3.98Å; F267-I269 HydrophobicContact CE1-CG1 3.42Å; F267-I269 VanDerWaalsContact CE1-CG1 3.42Å; F267-I269 HydrophobicContact CZ-CG1 4.07Å
268K88.8Confident84.1Confident131 Ų13169.3 Ų69.357%0.5739%0.386SS*.EExtended strand (participates in β ladder)trans-134.5125.4178-168.6-179.8178.9-172.40110.6E194 Q270E194-K268 HydrophobicContact CB-CB 4.2Å; E194-K268 WeakPolarHBondContact CB-O 3.43Å; E194-K268 PolarHBondContact N-O 2.99Å; E194-K268 PolarHBondContact O-N 3.45Å; K268-Q270 PolarHBondContact O-N 3.15Å
269I87.3Confident83.4Confident83 Ų8367.3 Ų67.343%0.42639%0.385SS..EExtended strand (participates in β ladder)trans-83.1118.6174.6-56.6175.3000107.7L253 F267L253-I269 HydrophobicContact CD1-CD1 4.42Å; F267-I269 HydrophobicContact CD1-CG1 4.26Å; F267-I269 HydrophobicContact CE1-CD1 3.98Å; F267-I269 HydrophobicContact CE1-CG1 3.42Å; F267-I269 VanDerWaalsContact CE1-CG1 3.42Å; F267-I269 HydrophobicContact CZ-CG1 4.07Å
270Q83.1Confident82.7Confident112 Ų11268.1 Ų68.152%0.52339%0.388SS..EExtended strand (participates in β ladder)trans-81.7-52.2173.3-85.5-110.321.100109.9D192 L232 K268D192-Q270 HydrophobicContact CB-CB 4.37Å; D192-Q270 PolarHBondContact O-N 2.8Å; L232-Q270 HydrophobicContact CD2-CG 3.87Å; K268-Q270 PolarHBondContact O-N 3.15Å
271Q83.3Confident82.2Confident72 Ų7270.2 Ų70.234%0.33640%0.399SS..EExtended strand (participates in β ladder)trans-129.8121.3176.6-60.8-167.7-5.700110.1D192D192-Q271 HydrophobicContact CB-CB 4.05Å; D192-Q271 HydrophobicContact CB-CG 4.44Å; D192-Q271 PolarHBondContact N-O 3.27Å; D192-Q271 PolarHBondContact O-N 3.28Å; D192-Q271 PolarHBondContact OD2-OE1 3.08Å
272A83.7Confident81.9Confident66 Ų6667.1 Ų67.155%0.54539%0.392SS..EExtended strand (participates in β ladder)trans-62.7159.1174.500000111.3R274A272-R274 PolarHBondContact O-N 3Å; A272-R274 VanDerWaalsContact O-N 3.08Å
273A85.9Confident81.6Confident18 Ų1866.6 Ų66.615%0.14938%0.382CS..EExtended strand (participates in β ladder)trans-52116.7-179.900000111.3I189 R190 A191 L246 L249I189-A273 HydrophobicContact CG2-CB 4.27Å; R190-A273 CarbonylContact O-C 3.59Å; R190-A273 WeakPolarHBondContact O-CA 3.19Å; A191-A273 HydrophobicContact CB-CB 4.24Å; L246-A273 HydrophobicContact CD2-CB 3.67Å; L246-A273 WeakPolarHBondContact CD2-O 3.37Å; L249-A273 HydrophobicContact CB-CB 4.05Å; L249-A273 HydrophobicContact CD2-CB 3.81Å
274R84.8Confident81.3Confident95 Ų9563.8 Ų63.836%0.35837%0.369SS..EExtended strand (participates in β ladder)trans-133.5149-179.167.2-177.8-178.7146.210.4111.3I189 R190 A272 V276 D280I189-R274 WeakPolarHBondContact CA-O 3.5Å; R190-R274 PolarHBondContact N-O 3.38Å; R190-R274 PolarHBondContact O-N 3.18Å; A272-R274 PolarHBondContact O-N 3Å; A272-R274 VanDerWaalsContact O-N 3.08Å; R274-V276 PolarHBondContact O-N 3.38Å; R274-D280 IonicContact CZ-OD1 2.94Å; R274-D280 IonicContact NH1-OD1 3.73Å; R274-D280 IonicContact NH2-OD1 2.85Å; R274-D280 PolarHBondContact NH2-OD1 3.36Å
275V82.6Confident81.4Confident62 Ų6266.7 Ų66.738%0.37637%0.367SS..EExtended strand (participates in β ladder)trans-70.7124.3172.1168.70000108.7V187 I189V187-V275 HydrophobicContact CG1-CB 4.03Å; V187-V275 HydrophobicContact CG1-CG1 3.18Å; V187-V275 HydrophobicContact CG1-CG2 3.82Å; I189-V275 HydrophobicContact CG1-CG2 4.23Å
276V80.4Confident81.5Confident16 Ų1673.7 Ų73.710%0.09739%0.389CS..PPolyproline II helixtrans-88.8133.9-178.4-175.30000109.2K188 R190 R274 D280 D281K188-V276 HydrophobicContact CB-CB 4.31Å; K188-V276 PolarHBondContact O-N 2.95Å; R190-V276 HydrophobicContact CB-CG2 3.19Å; R190-V276 HydrophobicContact CG-CG2 4.31Å; R274-V276 PolarHBondContact O-N 3.38Å; V276-D280 HydrophobicContact CG1-CB 3.55Å; V276-D281 HydrophobicContact CG1-CB 4.38Å
277S77.4Confident81.2Confident47 Ų4775.9 Ų75.933%0.32939%0.393SS..PPolyproline II helixtrans-88160.5169.170.70000110.8T279 D280 D281S277-T279 PolarHBondContact O-N 2.65Å; S277-T279 VanDerWaalsContact O-N 3.1Å; S277-T279 PolarHBondContact OG-OG1 3.33Å; S277-D280 WeakPolarHBondContact CB-OD2 3.44Å; S277-D280 PolarHBondContact N-OD2 2.9Å; S277-D280 PolarHBondContact O-N 3.21Å; S277-D280 PolarHBondContact OG-N 3.07Å; S277-D280 PolarHBondContact OG-OD2 3.32Å; S277-D281 PolarHBondContact O-N 2.87Å
278D74.1Confident80.7Confident146 Ų14677.4 Ų77.478%0.78140%0.401SS*.Hα-helixtrans-57-28.2176.4-62.4-39.6000112.2A282D278-A282 PolarHBondContact O-N 3.43Å
279T75.2Confident80.4Confident99 Ų9975.6 Ų75.661%0.60740%0.397SS*.Hα-helixtrans-69.7-42.9174.131.20000113.2S277 D281 A282 D283S277-T279 PolarHBondContact O-N 2.65Å; S277-T279 VanDerWaalsContact O-N 3.1Å; S277-T279 PolarHBondContact OG-OG1 3.33Å; T279-D281 VanDerWaalsContact C-N 3.28Å; T279-D281 PolarHBondContact O-N 3.45Å; T279-A282 PolarHBondContact O-N 2.85Å; T279-D283 PolarHBondContact O-N 3.4Å; T279-D283 VanDerWaalsContact O-N 3.1Å
280D74.1Confident80.2Confident44 Ų4478.6 Ų78.624%0.23541%0.41CS..Hα-helixtrans-62.8-37.3177.2-71.6-83.4000111.1R274 V276 S277 A282 D283 L284R274-D280 IonicContact CZ-OD1 2.94Å; R274-D280 IonicContact NH1-OD1 3.73Å; R274-D280 IonicContact NH2-OD1 2.85Å; R274-D280 PolarHBondContact NH2-OD1 3.36Å; V276-D280 HydrophobicContact CG1-CB 3.55Å; S277-D280 WeakPolarHBondContact CB-OD2 3.44Å; S277-D280 PolarHBondContact N-OD2 2.9Å; S277-D280 PolarHBondContact O-N 3.21Å; S277-D280 PolarHBondContact OG-N 3.07Å; S277-D280 PolarHBondContact OG-OD2 3.32Å; D280-A282 VanDerWaalsContact C-N 3.32Å; D280-A282 PolarHBondContact O-N 2.97Å; D280-D283 PolarHBondContact O-N 3.3Å; D280-L284 HydrophobicContact CB-CD1 4.46Å; D280-L284 WeakPolarHBondContact O-CB 3.45Å; D280-L284 WeakPolarHBondContact O-CD1 3.41Å; D280-L284 VanDerWaalsContact O-CG 3.31Å; D280-L284 WeakPolarHBondContact O-CG 3.47Å; D280-L284 PolarHBondContact O-N 3.08Å
281D75.2Confident79.8Confident43 Ų4376.2 Ų76.223%0.2340%0.4CS..Hα-helixtrans-62.4-40.1177.7-146.1-131.8000111.3K188 V276 S277 T279 Q285K188-D281 IonicContact NZ-OD1 2.75Å; K188-D281 PolarHBondContact NZ-OD1 3.38Å; K188-D281 IonicContact NZ-OD2 3.35Å; K188-D281 PolarHBondContact NZ-OD2 2.83Å; V276-D281 HydrophobicContact CG1-CB 4.38Å; S277-D281 PolarHBondContact O-N 2.87Å; T279-D281 VanDerWaalsContact C-N 3.28Å; T279-D281 PolarHBondContact O-N 3.45Å; D281-Q285 WeakPolarHBondContact O-CB 3.4Å; D281-Q285 PolarHBondContact O-N 3.11Å
282A80.3Confident79.4Confident43 Ų4379.2 Ų79.236%0.35541%0.414SS..Hα-helixtrans-69.5-41.5178.200000112.8D278 T279 D280 L284 Q285 R286D278-A282 PolarHBondContact O-N 3.43Å; T279-A282 PolarHBondContact O-N 2.85Å; D280-A282 VanDerWaalsContact C-N 3.32Å; D280-A282 PolarHBondContact O-N 2.97Å; A282-L284 VanDerWaalsContact C-N 3.31Å; A282-Q285 PolarHBondContact O-N 2.8Å; A282-R286 WeakPolarHBondContact O-CG 3.15Å; A282-R286 PolarHBondContact O-N 2.9Å
283D80.6Confident79.2Confident83 Ų8384.1 Ų84.144%0.44442%0.423SS..Hα-helixtrans-66.7-36.4177-71.6-36000111.7T279 D280 R286 Q287T279-D283 PolarHBondContact O-N 3.4Å; T279-D283 VanDerWaalsContact O-N 3.1Å; D280-D283 PolarHBondContact O-N 3.3Å; D283-R286 PolarHBondContact O-N 2.83Å; D283-R286 IonicContact OD1-NH1 2.94Å; D283-R286 PolarHBondContact OD1-NH1 2.87Å; D283-Q287 PolarHBondContact O-N 2.67Å
284L74.6Confident78.7Confident13 Ų1387 Ų877%0.06845%0.447CS..Hα-helixtrans-68.5-38.6175.3-77.7150.2000111.9D280 A282 R286 Q287 M288D280-L284 HydrophobicContact CB-CD1 4.46Å; D280-L284 WeakPolarHBondContact O-CB 3.45Å; D280-L284 WeakPolarHBondContact O-CD1 3.41Å; D280-L284 VanDerWaalsContact O-CG 3.31Å; D280-L284 WeakPolarHBondContact O-CG 3.47Å; D280-L284 PolarHBondContact O-N 3.08Å; A282-L284 VanDerWaalsContact C-N 3.31Å; L284-R286 VanDerWaalsContact C-N 3.32Å; L284-R286 PolarHBondContact O-N 3.48Å; L284-Q287 PolarHBondContact O-N 2.97Å; L284-M288 VanDerWaalsContact O-CG 3.24Å; L284-M288 WeakPolarHBondContact O-CG 3.48Å; L284-M288 PolarHBondContact O-N 3.37Å
285Q81.4Confident78Confident120 Ų12087.4 Ų87.456%0.56146%0.456SS*.Hα-helixtrans-65-38.9175.9-166.5148.3-13.800111.7D281 A282 Q287 M288 D289D281-Q285 WeakPolarHBondContact O-CB 3.4Å; D281-Q285 PolarHBondContact O-N 3.11Å; A282-Q285 PolarHBondContact O-N 2.8Å; Q285-Q287 PolarHBondContact O-N 3.4Å; Q285-M288 WeakPolarHBondContact O-CB 3.46Å; Q285-M288 PolarHBondContact O-N 2.88Å; Q285-D289 PolarHBondContact O-N 3.46Å
286R84.8Confident77.4Confident160 Ų16094 Ų9460%0.60447%0.474SS*.Hα-helixtrans-61.7-42.8171.5-70175.1-172.7146.7-2.2112.5A282 D283 L284 M288 D289 E290A282-R286 WeakPolarHBondContact O-CG 3.15Å; A282-R286 PolarHBondContact O-N 2.9Å; D283-R286 PolarHBondContact O-N 2.83Å; D283-R286 IonicContact OD1-NH1 2.94Å; D283-R286 PolarHBondContact OD1-NH1 2.87Å; L284-R286 VanDerWaalsContact C-N 3.32Å; L284-R286 PolarHBondContact O-N 3.48Å; R286-M288 VanDerWaalsContact C-N 3.32Å; R286-M288 PolarHBondContact O-N 2.87Å; R286-D289 PolarHBondContact O-N 2.74Å; R286-E290 WeakPolarHBondContact O-CB 3.48Å; R286-E290 PolarHBondContact O-N 3.41Å
287Q79.2Confident76.6Confident110 Ų110102.3 Ų102.351%0.51451%0.512SS..Hα-helixtrans-62.8-39.7175-88.7-172.8-21.500112.2D283 L284 Q285 E290 L291D283-Q287 PolarHBondContact O-N 2.67Å; L284-Q287 PolarHBondContact O-N 2.97Å; Q285-Q287 PolarHBondContact O-N 3.4Å; Q287-E290 PolarHBondContact O-N 2.83Å; Q287-L291 VanDerWaalsContact O-CB 3.29Å; Q287-L291 WeakPolarHBondContact O-CB 3.3Å; Q287-L291 WeakPolarHBondContact O-CG 3.42Å; Q287-L291 PolarHBondContact O-N 3.3Å
288M77.1Confident76Confident62 Ų62106.6 Ų106.631%0.30554%0.536SS..Hα-helixtrans-60.8-49.4175-69.2-66.2-64.200110.7I228 L284 Q285 R286 E290 L291 E292I228-M288 HydrophobicContact CB-SD 3.86Å; I228-M288 HydrophobicContact CG1-SD 3.67Å; I228-M288 HydrophobicContact CG2-SD 3.71Å; L284-M288 VanDerWaalsContact O-CG 3.24Å; L284-M288 WeakPolarHBondContact O-CG 3.48Å; L284-M288 PolarHBondContact O-N 3.37Å; Q285-M288 WeakPolarHBondContact O-CB 3.46Å; Q285-M288 PolarHBondContact O-N 2.88Å; R286-M288 VanDerWaalsContact C-N 3.32Å; R286-M288 PolarHBondContact O-N 2.87Å; M288-E290 PolarHBondContact O-N 3.11Å; M288-L291 PolarHBondContact O-N 3.31Å; M288-E292 VanDerWaalsContact O-CB 3.23Å; M288-E292 WeakPolarHBondContact O-CB 3.28Å; M288-E292 PolarHBondContact O-N 3.33Å
289D82.5Confident75.3Confident93 Ų93103.2 Ų103.250%0.49752%0.524SS..Hα-helixtrans-64-39.4-179.7-69.6-28.8000112Q285 R286 K293Q285-D289 PolarHBondContact O-N 3.46Å; R286-D289 PolarHBondContact O-N 2.74Å; D289-K293 VanDerWaalsContact O-CB 3.31Å; D289-K293 WeakPolarHBondContact O-CB 3.45Å; D289-K293 PolarHBondContact O-N 3.2Å
290E83.8Confident74.8Confident147 Ų147102.2 Ų102.269%0.68753%0.534SS*.Hα-helixtrans-67.8-43.2178.6-165.5178.2115.400111.5R286 Q287 M288 K293 A294R286-E290 WeakPolarHBondContact O-CB 3.48Å; R286-E290 PolarHBondContact O-N 3.41Å; Q287-E290 PolarHBondContact O-N 2.83Å; M288-E290 PolarHBondContact O-N 3.11Å; E290-K293 PolarHBondContact O-N 3.21Å; E290-A294 WeakPolarHBondContact O-CB 3.47Å; E290-A294 PolarHBondContact O-N 3.45Å
291L75.4Confident74.1Confident61 Ų61107.4 Ų107.432%0.31956%0.561SS.*Hα-helixtrans-70.3-35.6176.3-71171.2000112.1I228 Q287 M288 K293 A294 N295I228-L291 HydrophobicContact CG2-CD1 3.56Å; Q287-L291 VanDerWaalsContact O-CB 3.29Å; Q287-L291 WeakPolarHBondContact O-CB 3.3Å; Q287-L291 WeakPolarHBondContact O-CG 3.42Å; Q287-L291 PolarHBondContact O-N 3.3Å; M288-L291 PolarHBondContact O-N 3.31Å; L291-K293 VanDerWaalsContact C-N 3.33Å; L291-A294 PolarHBondContact O-N 3.07Å; L291-N295 VanDerWaalsContact O-CB 3.32Å; L291-N295 WeakPolarHBondContact O-CB 3.41Å; L291-N295 PolarHBondContact O-N 3.35Å; L291-N295 PolarHBondContact O-ND2 2.85Å; L291-N295 VanDerWaalsContact O-ND2 3.1Å
292E75.1Confident72.7Confident136 Ų136113 Ų11364%0.63659%0.586SS**Hα-helixtrans-66.6-38.4174.2-165.7172.6-161.600110.5M288 N295 R296M288-E292 VanDerWaalsContact O-CB 3.23Å; M288-E292 WeakPolarHBondContact O-CB 3.28Å; M288-E292 PolarHBondContact O-N 3.33Å; E292-N295 CarbonylContact O-C 3.59Å; E292-N295 PolarHBondContact O-N 2.9Å; E292-R296 WeakPolarHBondContact O-CB 3.23Å; E292-R296 PolarHBondContact O-N 2.87Å
293K78.2Confident71Confident168 Ų168117.9 Ų117.973%0.7361%0.606SS**Hα-helixtrans-66.7-38.8172.9-166.4177.2-176.7-176.80112.4D289 E290 L291 R296D289-K293 VanDerWaalsContact O-CB 3.31Å; D289-K293 WeakPolarHBondContact O-CB 3.45Å; D289-K293 PolarHBondContact O-N 3.2Å; E290-K293 PolarHBondContact O-N 3.21Å; L291-K293 VanDerWaalsContact C-N 3.33Å; K293-R296 WeakPolarHBondContact O-CB 3.33Å; K293-R296 PolarHBondContact O-N 2.56Å
294A74.9Confident69.4Low79 Ų79122.1 Ų122.165%0.65363%0.629SS**Hα-helixtrans-70.6-31.1177.200000113E290 L291E290-A294 WeakPolarHBondContact O-CB 3.47Å; E290-A294 PolarHBondContact O-N 3.45Å; L291-A294 PolarHBondContact O-N 3.07Å
295N71Confident67.8Low104 Ų104129.7 Ų129.756%0.55666%0.664SS**SBendtrans-91.1-3.2176.1-70.6-39.8000113.2L291 E292 E297L291-N295 VanDerWaalsContact O-CB 3.32Å; L291-N295 WeakPolarHBondContact O-CB 3.41Å; L291-N295 PolarHBondContact O-N 3.35Å; L291-N295 PolarHBondContact O-ND2 2.85Å; L291-N295 VanDerWaalsContact O-ND2 3.1Å; E292-N295 CarbonylContact O-C 3.59Å; E292-N295 PolarHBondContact O-N 2.9Å; N295-E297 PolarHBondContact O-N 2.84Å; N295-E297 VanDerWaalsContact O-N 3.1Å
296R70.1Confident66Low200 Ų200132 Ų13276%0.75568%0.68SS**SBendtrans-66.1113.9175.9-165.4172.2-171.5176.10.6107.5E292 K293 V298E292-R296 WeakPolarHBondContact O-CB 3.23Å; E292-R296 PolarHBondContact O-N 2.87Å; K293-R296 WeakPolarHBondContact O-CB 3.33Å; K293-R296 PolarHBondContact O-N 2.56Å; R296-V298 PolarHBondContact O-N 3.46Å
297E64.5Low63.7Low190 Ų190133.4 Ų133.489%0.88869%0.693SS**  trans-54.2114.3-178.4-64.1179.4162.700109.7N295N295-E297 PolarHBondContact O-N 2.84Å; N295-E297 VanDerWaalsContact O-N 3.1Å
298V64.6Low61.7Low137 Ų137135.1 Ų135.183%0.8371%0.706SS**  trans-82.8118.5164.3-176.90000105.3R296 G300R296-V298 PolarHBondContact O-N 3.46Å; V298-G300 PolarHBondContact O-N 2.88Å; V298-G300 VanDerWaalsContact O-N 3.17Å
299S58.9Low59.8Low76 Ų76140.2 Ų140.253%0.53173%0.734SS.*  trans-58.5119.2175.2-175.80000108.5D301S299-D301 PolarHBondContact O-N 3.32Å
300G64.4Low57.5Low78 Ų78138.6 Ų138.680%0.80474%0.74SS**THydrogen-bonded Turntrans-82.63.8178.400000114.3V298V298-G300 PolarHBondContact O-N 2.88Å; V298-G300 VanDerWaalsContact O-N 3.17Å
301D59.7Low55.3Low153 Ų153139.2 Ų139.282%0.81875%0.748SS**THydrogen-bonded Turntrans-119.822.5-174.9-92.1-1000112.5S299S299-D301 PolarHBondContact O-N 3.32Å
302E46.4Very low53.3Low161 Ų161145.4 Ų145.475%0.75278%0.776SS**  trans-91.598.1157.3-74.6179.6177.700106.6D304E302-D304 PolarHBondContact O-N 2.81Å
303D44.6Very low51.6Low145 Ų145147.8 Ų147.878%0.77579%0.786SS**  trans-50.1119.5162.7-77.8-44.9000107.3E305D303-E305 PolarHBondContact O-N 3.36Å
304D46.4Very low49.6Very low172 Ų172146.7 Ų146.792%0.9279%0.789SS**  trans-60.781.3163.3-78.3-44.9000107.9E302E302-D304 PolarHBondContact O-N 2.81Å
305E41.9Very low47.9Very low172 Ų172150.9 Ų150.980%0.80480%0.8SS**  trans-106.38.8166.6-91.6-164.9178.400112.9D303 E307D303-E305 PolarHBondContact O-N 3.36Å; E305-E307 PolarHBondContact O-N 3.2Å
306D42.1Very low46.3Very low169 Ų169152.4 Ų152.490%0.90481%0.808SS**  trans-98.867167.6-66.7-30.6000110D308D306-D308 PolarHBondContact O-N 3.37Å
307E36.9Very low44.9Very low188 Ų188151.8 Ų151.888%0.87981%0.814SS**  trans-65.8119.7148.9-85.3-174.6164.800107.7E305E305-E307 PolarHBondContact O-N 3.2Å
308D36.4Very low43.9Very low147 Ų147146.6 Ų146.679%0.78680%0.803SS**  trans8174.7151.4-147.528.7000117.6D306D306-D308 PolarHBondContact O-N 3.37Å
309D37.5Very low42.5Very low168 Ų168145.8 Ų145.890%0.89880%0.804SS**  trans-104.294142-93.8-29.2000108.2D311D309-D311 PolarHBondContact O-N 2.84Å; D309-D311 VanDerWaalsContact O-N 3.16Å
310G34.2Very low41.5Very low60 Ų60149.1 Ų149.162%0.61982%0.816SS**  trans-66.3102.2166.900000110.6E312G310-E312 PolarHBondContact O-N 3.02Å
311D38Very low40.4Very low160 Ų160153.2 Ų153.286%0.85682%0.82SS**  trans-93.977.6155-83-29.4000108.7D309 E313D309-D311 PolarHBondContact O-N 2.84Å; D309-D311 VanDerWaalsContact O-N 3.16Å; D311-E313 VanDerWaalsContact C-N 3.33Å; D311-E313 PolarHBondContact O-N 3.12Å
312E33.1Very low39.3Very low191 Ų191149.3 Ų149.389%0.89382%0.815SS**  trans-71.691.4143.8-79.1-174.6164.600107.3G310G310-E312 PolarHBondContact O-N 3.02Å
313E39.7Very low39.3Very low185 Ų185147.9 Ų147.986%0.86481%0.813SS**  trans-136115.8145.6-78.6-161.9166.200109.7D311D311-E313 VanDerWaalsContact C-N 3.33Å; D311-E313 PolarHBondContact O-N 3.12Å
314D35.9Very low39.3Very low146 Ų146148 Ų14878%0.78181%0.809SS**  trans-45.9138.6167.3-64.4-58000112.2
315D40.1Very low39.1Very low166 Ų166147.8 Ų147.889%0.88881%0.807SS**  -143.6104128.8-111.9-18000109.1
316D36.4Very low39.1Very low136 Ų136142.3 Ų142.373%0.72780%0.798SS**  trans-37.8134154.3-77-57000111.6
317E41.5Very low39.1Very low187 Ų187142.8 Ų142.887%0.87480%0.799SS**  -169.4103.5113.8-102.1-173.1-173.900112.1
318A43.3Very low39.1Very low81 Ų81147.4 Ų147.467%0.66982%0.816SS**  trans68.591.9131.900000119N320A318-N320 PolarHBondContact O-N 3.27Å; A318-N320 VanDerWaalsContact O-N 3.1Å
319S35.3Very low39.2Very low121 Ų121147.4 Ų147.485%0.84682%0.818SS**  trans-47.1105.313152.30000111
320N37.8Very low39.3Very low146 Ų146146.3 Ų146.378%0.78181%0.813SS**  trans-99.775.1164.1-173.630.7000109.5A318A318-N320 PolarHBondContact O-N 3.27Å; A318-N320 VanDerWaalsContact O-N 3.1Å
321D41.2Very low39.6Very low164 Ų164151.1 Ų151.188%0.87782%0.824SS**  trans-107.880.5156.9-95.3-42.6000107.8
322G36.6Very low39.7Very low71 Ų71150.6 Ų150.673%0.73282%0.822SS**  trans-101.878.1164.500000109.5
323D46.8Very low40.1Very low130 Ų130148.1 Ų148.170%0.69582%0.818SS**  trans-87.7131.2171.6-1478.9000110.6
324Q45.1Very low40.1Very low149 Ų149145.6 Ų145.670%0.69682%0.815SS**  trans76103.1153.7-66.7167.643.600121.4
325N42Very low40.5Very low166 Ų166145.6 Ų145.689%0.88882%0.817SS**  174.4136.3104.7-93.8-32.1000107.9
326G40.6Very low40.5Very low58 Ų58144 Ų14460%0.59881%0.812SS**  cis151.8146.518.400000106.2
327L41.7Very low40.8Very low179 Ų179144.7 Ų144.794%0.93782%0.819SS**  trans57.3106.9163.6-68.8104.7000119.8
328K38Very low40.8Very low284 Ų284140.8 Ų140.8100%1.23581%0.814SS**  -146.50123.3-109.4-179.4-176.7176.40109.6

Retrieved 328 of 328 residues in 153 ms (Link to these results)

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