A0A096LPQ0_POEFO Loading...

protein-ribulosamine 3-kinase

AlphaFold DB , UniProt , Accession A0A096LPQ0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 309 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
1M86.3Confident92.3Very high89 Ų8963 Ų6344%0.43834%0.344SS..  0-64.80-168.9-173.2-70.200111.9A3 K4 L5 I42 L79 L85M1-A3 PolarHBondContact O-N 3.39Å; M1-K4 WeakPolarHBondContact O-CB 3.24Å; M1-K4 PolarHBondContact O-N 2.85Å; M1-L5 HydrophobicContact CG-CD1 4.16Å; M1-L5 PolarHBondContact O-N 2.59Å; M1-I42 HydrophobicContact CE-CD1 3.91Å; M1-I42 HydrophobicContact CE-CG2 3.6Å; M1-I42 HydrophobicContact SD-CD1 3.67Å; M1-I42 HydrophobicContact SD-CG1 4.49Å; M1-L79 HydrophobicContact CE-CD1 4.47Å; M1-L79 HydrophobicContact CG-CD2 4.29Å; M1-L85 HydrophobicContact CE-CD2 3.99Å; M1-L85 HydrophobicContact CG-CD1 3.88Å; M1-L85 HydrophobicContact CG-CD2 4.13Å; M1-L85 HydrophobicContact SD-CD2 4.04Å
2E89.4Confident92.3Very high102 Ų10269.8 Ų69.848%0.47738%0.38SS..Hα-helixtrans-52.4-50.5-177.1173.2174.5170.200114K4 L5 K6 L14E2-K4 PolarHBondContact O-N 3.18Å; E2-L5 PolarHBondContact O-N 2.91Å; E2-K6 HydrophobicContact CG-CD 4.3Å; E2-K6 HydrophobicContact CG-CG 4.5Å; E2-K6 PolarHBondContact O-N 2.87Å; E2-K6 WeakPolarHBondContact OE1-CE 3.32Å; E2-K6 IonicContact OE1-NZ 2.96Å; E2-K6 PolarHBondContact OE1-NZ 3.29Å; E2-L14 HydrophobicContact CB-CD2 4.22Å; E2-L14 HydrophobicContact CG-CD2 3.81Å
3A90.6Very high92.3Very high81 Ų8170.2 Ų70.267%0.66938%0.379SS*.Hα-helixtrans-58.7-35.8179.100000112.6M1 K7M1-A3 PolarHBondContact O-N 3.39Å; A3-K7 WeakPolarHBondContact O-CB 3.49Å; A3-K7 PolarHBondContact O-N 3.4Å; A3-K7 VanDerWaalsContact O-N 3.07Å
4K92.4Very high92.5Very high45 Ų4566.6 Ų66.620%0.19636%0.359CS..Hα-helixtrans-70.9-45177.1-163.3166.3-168.8168.50110.9M1 E2 K6 K7 E8 I77 E78 D80M1-K4 WeakPolarHBondContact O-CB 3.24Å; M1-K4 PolarHBondContact O-N 2.85Å; E2-K4 PolarHBondContact O-N 3.18Å; K4-K6 PolarHBondContact O-N 3.5Å; K4-K7 PolarHBondContact O-N 2.91Å; K4-E8 HydrophobicContact CG-CG 4.25Å; K4-E8 WeakPolarHBondContact O-CB 3.27Å; K4-E8 VanDerWaalsContact O-CG 3.26Å; K4-E8 WeakPolarHBondContact O-CG 3.43Å; K4-E8 PolarHBondContact O-N 3.33Å; K4-I77 HydrophobicContact CD-CG2 4.11Å; K4-I77 HydrophobicContact CG-CG2 4.04Å; K4-E78 WeakPolarHBondContact CE-O 3.37Å; K4-E78 PolarHBondContact NZ-O 3.26Å; K4-D80 IonicContact NZ-OD1 2.7Å; K4-D80 PolarHBondContact NZ-OD1 2.86Å
5L92.1Very high92.5Very high1 Ų171.2 Ų71.21%0.00538%0.375CS..Hα-helixtrans-57.9-47.7173.6-81.4170000112M1 E2 K7 E8 L9 L14 V40 I77 L85 V87M1-L5 HydrophobicContact CG-CD1 4.16Å; M1-L5 PolarHBondContact O-N 2.59Å; E2-L5 PolarHBondContact O-N 2.91Å; L5-K7 VanDerWaalsContact C-N 3.34Å; L5-K7 PolarHBondContact O-N 3.13Å; L5-E8 PolarHBondContact O-N 3.09Å; L5-L9 HydrophobicContact CD2-CD1 4.3Å; L5-L9 VanDerWaalsContact O-CB 3.26Å; L5-L9 WeakPolarHBondContact O-CB 3.34Å; L5-L9 VanDerWaalsContact O-CG 3.29Å; L5-L9 WeakPolarHBondContact O-CG 3.49Å; L5-L9 PolarHBondContact O-N 3.22Å; L5-L14 HydrophobicContact CB-CD2 3.98Å; L5-L14 HydrophobicContact CD1-CD2 3.93Å; L5-V40 HydrophobicContact CD1-CG1 4.42Å; L5-V40 HydrophobicContact CD2-CG1 4.29Å; L5-V40 HydrophobicContact CD2-CG2 4.41Å; L5-I77 HydrophobicContact CD2-CD1 3.87Å; L5-L85 HydrophobicContact CD1-CD1 4.02Å; L5-L85 HydrophobicContact CD2-CD1 3.62Å; L5-L85 HydrophobicContact CG-CD1 3.58Å; L5-V87 HydrophobicContact CD2-CG2 3.8Å
6K93.8Very high92.5Very high59 Ų5970.8 Ų70.826%0.25738%0.38SS..Hα-helixtrans-57.1-47.2176.8-76.5-174-177.7173.20112.2E2 K4 G10 T11 N12 L14E2-K6 HydrophobicContact CG-CD 4.3Å; E2-K6 HydrophobicContact CG-CG 4.5Å; E2-K6 PolarHBondContact O-N 2.87Å; E2-K6 WeakPolarHBondContact OE1-CE 3.32Å; E2-K6 IonicContact OE1-NZ 2.96Å; E2-K6 PolarHBondContact OE1-NZ 3.29Å; K4-K6 PolarHBondContact O-N 3.5Å; K6-G10 WeakPolarHBondContact O-CA 3.4Å; K6-G10 PolarHBondContact O-N 3.18Å; K6-T11 VanDerWaalsContact CB-O 3.25Å; K6-T11 WeakPolarHBondContact CB-O 3.41Å; K6-T11 HydrophobicContact CG-CG2 4.26Å; K6-T11 WeakPolarHBondContact CG-O 3.44Å; K6-T11 PolarHBondContact O-N 3.06Å; K6-N12 WeakPolarHBondContact CE-O 3.4Å; K6-N12 PolarHBondContact NZ-O 3.13Å; K6-L14 HydrophobicContact CD-CB 4.43Å; K6-L14 HydrophobicContact CG-CB 3.98Å
7K94.6Very high92.2Very high164 Ų16468.4 Ų68.471%0.71337%0.368SS*.Hα-helixtrans-61.5-51.3177.4-177.8-172.5175.1-169.30112A3 K4 L5 L9 G10A3-K7 WeakPolarHBondContact O-CB 3.49Å; A3-K7 PolarHBondContact O-N 3.4Å; A3-K7 VanDerWaalsContact O-N 3.07Å; K4-K7 PolarHBondContact O-N 2.91Å; L5-K7 VanDerWaalsContact C-N 3.34Å; L5-K7 PolarHBondContact O-N 3.13Å; K7-L9 VanDerWaalsContact C-N 3.34Å; K7-L9 PolarHBondContact O-N 3.17Å; K7-G10 PolarHBondContact O-N 3.19Å
8E94.6Very high91.4Very high61 Ų6168.3 Ų68.329%0.28539%0.386SS..Hα-helixtrans-71.6-27.6-174-68.1-59.9141.600113.4K4 L5 K75 I77K4-E8 HydrophobicContact CG-CG 4.25Å; K4-E8 WeakPolarHBondContact O-CB 3.27Å; K4-E8 VanDerWaalsContact O-CG 3.26Å; K4-E8 WeakPolarHBondContact O-CG 3.43Å; K4-E8 PolarHBondContact O-N 3.33Å; L5-E8 PolarHBondContact O-N 3.09Å; E8-K75 HydrophobicContact CB-CD 4.48Å; E8-K75 WeakPolarHBondContact OE2-CE 3.35Å; E8-K75 IonicContact OE2-NZ 2.95Å; E8-K75 PolarHBondContact OE2-NZ 3.14Å; E8-I77 HydrophobicContact CB-CD1 3.54Å; E8-I77 HydrophobicContact CB-CG1 4.01Å; E8-I77 HydrophobicContact CG-CD1 4.01Å; E8-I77 HydrophobicContact CG-CG1 4.08Å; E8-I77 HydrophobicContact CG-CG2 3.92Å
9L93.4Very high90.3Very high34 Ų3470.6 Ų70.618%0.17839%0.393CS..Hα-helixtrans-93.9-5.6175.8-60.6178.1000113.4L5 K7 T11 V38 V87L5-L9 HydrophobicContact CD2-CD1 4.3Å; L5-L9 VanDerWaalsContact O-CB 3.26Å; L5-L9 WeakPolarHBondContact O-CB 3.34Å; L5-L9 VanDerWaalsContact O-CG 3.29Å; L5-L9 WeakPolarHBondContact O-CG 3.49Å; L5-L9 PolarHBondContact O-N 3.22Å; K7-L9 VanDerWaalsContact C-N 3.34Å; K7-L9 PolarHBondContact O-N 3.17Å; L9-T11 VanDerWaalsContact C-N 3.29Å; L9-T11 HydrophobicContact CB-CG2 4.02Å; L9-T11 PolarHBondContact O-N 3.34Å; L9-V38 HydrophobicContact CD1-CG2 4.42Å; L9-V87 HydrophobicContact CD1-CG1 4.14Å; L9-V87 HydrophobicContact CD2-CB 4.36Å; L9-V87 HydrophobicContact CD2-CG1 3.95Å; L9-V87 HydrophobicContact CD2-CG2 4.31Å
10G94.5Very high89.4Confident53 Ų5371 Ų7155%0.54641%0.406SS..THydrogen-bonded Turntrans58.439.3-176.600000113.2K6 K7 H35K6-G10 WeakPolarHBondContact O-CA 3.4Å; K6-G10 PolarHBondContact O-N 3.18Å; K7-G10 PolarHBondContact O-N 3.19Å; G10-H35 PolarHBondContact O-NE2 3.43Å
11T93.3Very high88Confident4 Ų469.2 Ų69.23%0.02540%0.403CS..  trans-117.2140.2-179.4-174.20000111.1K6 L9 M13 T33 D34K6-T11 VanDerWaalsContact CB-O 3.25Å; K6-T11 WeakPolarHBondContact CB-O 3.41Å; K6-T11 HydrophobicContact CG-CG2 4.26Å; K6-T11 WeakPolarHBondContact CG-O 3.44Å; K6-T11 PolarHBondContact O-N 3.06Å; L9-T11 VanDerWaalsContact C-N 3.29Å; L9-T11 HydrophobicContact CB-CG2 4.02Å; L9-T11 PolarHBondContact O-N 3.34Å; T11-M13 VanDerWaalsContact CG2-O 3.27Å; T11-M13 WeakPolarHBondContact CG2-O 3.31Å; T11-M13 PolarHBondContact OG1-N 3.39Å; T11-M13 PolarHBondContact OG1-O 3.23Å; T11-T33 HydrophobicContact CG2-CG2 4.28Å; T11-T33 WeakPolarHBondContact OG1-CB 3.43Å; T11-D34 PolarHBondContact OG1-N 3.38Å; T11-D34 VanDerWaalsContact OG1-N 3.12Å; T11-D34 PolarHBondContact OG1-OD2 2.92Å
12N92.8Very high86.7Confident144 Ų14467.8 Ų67.877%0.7741%0.411SS*.SBendtrans-88.1-31173.4-58.7-59.9000110.7K6 D34K6-N12 WeakPolarHBondContact CE-O 3.4Å; K6-N12 PolarHBondContact NZ-O 3.13Å; N12-D34 WeakPolarHBondContact CA-OD2 3.49Å; N12-D34 WeakPolarHBondContact CB-OD2 3.49Å; N12-D34 PolarHBondContact N-OD2 3.28Å
13M92.8Very high85.3Confident76 Ų7665.5 Ų65.537%0.37442%0.415SS..  trans-94.6134.3173.9-172.3175.764.300112T11 K15 D32 T33 D34T11-M13 VanDerWaalsContact CG2-O 3.27Å; T11-M13 WeakPolarHBondContact CG2-O 3.31Å; T11-M13 PolarHBondContact OG1-N 3.39Å; T11-M13 PolarHBondContact OG1-O 3.23Å; M13-K15 HydrophobicContact CG-CB 4.47Å; M13-D32 HydrophobicContact CE-CB 4.22Å; M13-T33 WeakPolarHBondContact CE-O 3.47Å; M13-T33 WeakPolarHBondContact O-CA 3.27Å; M13-D34 WeakPolarHBondContact CB-OD1 3.49Å; M13-D34 PolarHBondContact N-OD2 3.3Å
14L93.9Very high83.9Confident19 Ų1967.4 Ų67.410%0.09942%0.422CS..EExtended strand (participates in β ladder)trans-143.595.4164.8-169.578.5000107.4E2 L5 K6 Y31 D32 T33E2-L14 HydrophobicContact CB-CD2 4.22Å; E2-L14 HydrophobicContact CG-CD2 3.81Å; L5-L14 HydrophobicContact CB-CD2 3.98Å; L5-L14 HydrophobicContact CD1-CD2 3.93Å; K6-L14 HydrophobicContact CD-CB 4.43Å; K6-L14 HydrophobicContact CG-CB 3.98Å; L14-Y31 HydrophobicContact CD1-CD1 4.08Å; L14-Y31 HydrophobicContact CD1-CG 3.85Å; L14-Y31 HydrophobicContact CD2-CD1 4.13Å; L14-Y31 HydrophobicContact CD2-CE1 4.36Å; L14-Y31 HydrophobicContact CG-CD1 3.73Å; L14-Y31 HydrophobicContact CG-CE1 4.43Å; L14-Y31 HydrophobicContact CG-CG 4.05Å; L14-D32 WeakPolarHBondContact CA-O 3.5Å; L14-T33 HydrophobicContact CD1-CG2 4.07Å
15K93.4Very high83.2Confident136 Ų13667.8 Ų67.859%0.59143%0.426SS*.EExtended strand (participates in β ladder)trans-110.6119.4-178.1-175.2-178.8178.4-175.90109.8M13 T17 Y31 D32M13-K15 HydrophobicContact CG-CB 4.47Å; K15-T17 PolarHBondContact O-N 3.34Å; K15-Y31 CarbonylContact O-C 3.49Å; K15-Y31 VanDerWaalsContact O-CA 3.32Å; K15-Y31 WeakPolarHBondContact O-CA 3.3Å; K15-D32 HydrophobicContact CB-CB 4.41Å; K15-D32 PolarHBondContact N-O 3.06Å; K15-D32 PolarHBondContact O-N 3.26Å
16S91.8Very high82.7Confident65 Ų6568.7 Ų68.746%0.45543%0.432SS..EExtended strand (participates in β ladder)trans-61.4132.5173.4-179.20000110G18S16-G18 VanDerWaalsContact C-N 3.3Å; S16-G18 PolarHBondContact OG-N 2.93Å
17T88.1Confident82.5Confident30 Ų3071.3 Ų71.318%0.18445%0.445CS..EExtended strand (participates in β ladder)trans-86.1-5.4178.764.60000112.6K15 H19 S30K15-T17 PolarHBondContact O-N 3.34Å; T17-H19 PolarHBondContact O-N 3.45Å; T17-H19 PolarHBondContact O-ND1 3.43Å; T17-H19 PolarHBondContact OG1-N 2.95Å; T17-H19 PolarHBondContact OG1-ND1 2.93Å; T17-S30 WeakPolarHBondContact CG2-O 3.24Å; T17-S30 PolarHBondContact N-O 3.46Å; T17-S30 WeakPolarHBondContact OG1-CB 3.4Å; T17-S30 PolarHBondContact OG1-O 3.35Å
18G77.4Confident82.4Confident67 Ų6763.6 Ų63.669%0.69141%0.412SS*.EExtended strand (participates in β ladder)trans74.9-7.1-17100000114.5S16 A20S16-G18 VanDerWaalsContact C-N 3.3Å; S16-G18 PolarHBondContact OG-N 2.93Å; G18-A20 PolarHBondContact O-N 3.32Å
19H71.2Confident82.4Confident111 Ų11162.9 Ų62.951%0.51441%0.409SS..EExtended strand (participates in β ladder)trans-77.6113.4172.8-64.783.6000109.5T17 S30T17-H19 PolarHBondContact O-N 3.45Å; T17-H19 PolarHBondContact O-ND1 3.43Å; T17-H19 PolarHBondContact OG1-N 2.95Å; T17-H19 PolarHBondContact OG1-ND1 2.93Å; H19-S30 PolarHBondContact O-N 3.12Å; H19-S30 VanDerWaalsContact O-N 3.11Å
20A70.8Confident82.5Confident79 Ų7961.5 Ų61.565%0.65340%0.402SS*.EExtended strand (participates in β ladder)trans-104.3137.4167.500000109.2G18 G28G18-A20 PolarHBondContact O-N 3.32Å; A20-G28 CarbonylContact C-O 3.52Å; A20-G28 VanDerWaalsContact CA-O 3.26Å; A20-G28 WeakPolarHBondContact CA-O 3.47Å
21G61.4Low82.5Confident34 Ų3460.5 Ų60.535%0.35138%0.382SS..  trans-141.1129170.200000107.1G28 F39G21-G28 PolarHBondContact N-O 3.09Å; G21-G28 CarbonylContact O-C 3.4Å; G21-G28 VanDerWaalsContact O-C 3.24Å; G21-G28 WeakPolarHBondContact O-CA 3.34Å; G21-G28 PolarHBondContact O-N 2.93Å; G21-G28 VanDerWaalsContact O-O 3.05Å; G21-F39 WeakPolarHBondContact O-CZ 3.5Å
22G58.6Low82.7Confident59 Ų5962.5 Ų62.561%0.60839%0.392SS*.  trans-155.5137.6-175.600000111S26G22-S26 WeakPolarHBondContact CA-O 3.29Å
23G59.3Low82.8Confident54 Ų5456.2 Ų56.256%0.55736%0.359SS*.  trans-77.5-177.6167.100000110.9I25G23-I25 PolarHBondContact O-N 3.24Å
24C62.4Low82.9Confident120 Ų12056.4 Ų56.481%0.81136%0.362SS*.SBendtrans-61.6-7.8-180-59.50000115
25I76.8Confident82.8Confident54 Ų5462.2 Ų62.228%0.27739%0.388SS..SBendtrans-121.6-36.2-164.4-59.3171.9000113.3G23 N43 M51 G152 Y153G23-I25 PolarHBondContact O-N 3.24Å; I25-N43 PolarHBondContact O-ND2 3.48Å; I25-N43 VanDerWaalsContact O-ND2 3.16Å; I25-M51 HydrophobicContact CG2-SD 4.13Å; I25-G152 VanDerWaalsContact CD1-C 3.48Å; I25-G152 VanDerWaalsContact CD1-CA 3.44Å; I25-Y153 HydrophobicContact CD1-CD1 4.06Å; I25-Y153 HydrophobicContact CG1-CD1 4.36Å
26S82.4Confident82.8Confident19 Ų1957.5 Ų57.513%0.13338%0.378CS..  trans-132.3142.3-173.7-59.70000110.2G22 I42 N43 M51G22-S26 WeakPolarHBondContact CA-O 3.29Å; S26-I42 WeakPolarHBondContact CB-O 3.29Å; S26-N43 PolarHBondContact OG-ND2 3.47Å; S26-N43 VanDerWaalsContact OG-ND2 3.08Å; S26-M51 WeakPolarHBondContact OG-CE 3.3Å
27E90.2Very high83Confident114 Ų11459 Ų5953%0.53337%0.374SS..EExtended strand (participates in β ladder)trans-78.3145.7170.8-64.7171.2-162.300108.8H29 K41 I42E27-H29 IonicContact OE2-NE2 2.84Å; E27-K41 CarbonylContact O-C 3.57Å; E27-K41 VanDerWaalsContact O-CA 3.28Å; E27-K41 WeakPolarHBondContact O-CA 3.35Å; E27-I42 HydrophobicContact CB-CB 4.38Å; E27-I42 PolarHBondContact N-O 3.36Å; E27-I42 VanDerWaalsContact N-O 3.09Å; E27-I42 PolarHBondContact O-N 3.17Å
28G92.4Very high83.4Confident2 Ų258.1 Ų58.12%0.02137%0.368CS..EExtended strand (participates in β ladder)trans-138.4138.8175.500000112A20 G21 V40A20-G28 CarbonylContact C-O 3.52Å; A20-G28 VanDerWaalsContact CA-O 3.26Å; A20-G28 WeakPolarHBondContact CA-O 3.47Å; G21-G28 PolarHBondContact N-O 3.09Å; G21-G28 CarbonylContact O-C 3.4Å; G21-G28 VanDerWaalsContact O-C 3.24Å; G21-G28 WeakPolarHBondContact O-CA 3.34Å; G21-G28 PolarHBondContact O-N 2.93Å; G21-G28 VanDerWaalsContact O-O 3.05Å; G28-V40 VanDerWaalsContact CA-O 3.27Å; G28-V40 WeakPolarHBondContact CA-O 3.38Å
29H93.7Very high84.4Confident47 Ų4756.7 Ų56.722%0.21834%0.343CS..EExtended strand (participates in β ladder)trans-140142.3-171.8-63.9-81.9000110.6E27 Y31 V40E27-H29 IonicContact OE2-NE2 2.84Å; H29-Y31 HydrophobicContact CB-CD2 4.31Å; H29-Y31 HydrophobicContact CB-CE2 3.47Å; H29-Y31 VanDerWaalsContact CB-CE2 3.47Å; H29-V40 PolarHBondContact N-O 3.15Å; H29-V40 PolarHBondContact O-N 3.19Å
30S95.1Very high85.5Confident4 Ų451.4 Ų51.43%0.02832%0.319CS..EExtended strand (participates in β ladder)trans-101133.8175.4-440000111.1T17 H19 V38 H90T17-S30 WeakPolarHBondContact CG2-O 3.24Å; T17-S30 PolarHBondContact N-O 3.46Å; T17-S30 WeakPolarHBondContact OG1-CB 3.4Å; T17-S30 PolarHBondContact OG1-O 3.35Å; H19-S30 PolarHBondContact O-N 3.12Å; H19-S30 VanDerWaalsContact O-N 3.11Å; S30-V38 CarbonylContact C-O 3.58Å; S30-V38 VanDerWaalsContact CA-O 3.3Å; S30-V38 WeakPolarHBondContact CA-O 3.47Å; S30-H90 WeakPolarHBondContact CB-ND1 3.36Å; S30-H90 PolarHBondContact OG-CE1 3.02Å; S30-H90 PolarHBondContact OG-ND1 3.14Å
31Y95.6Very high86.7Confident33 Ų3348.2 Ų48.213%0.12929%0.29CS..EExtended strand (participates in β ladder)trans-125.8133.4-178.6-60.9-90.2000111.1L14 K15 H29 R37 V38 V40L14-Y31 HydrophobicContact CD1-CD1 4.08Å; L14-Y31 HydrophobicContact CD1-CG 3.85Å; L14-Y31 HydrophobicContact CD2-CD1 4.13Å; L14-Y31 HydrophobicContact CD2-CE1 4.36Å; L14-Y31 HydrophobicContact CG-CD1 3.73Å; L14-Y31 HydrophobicContact CG-CE1 4.43Å; L14-Y31 HydrophobicContact CG-CG 4.05Å; K15-Y31 CarbonylContact O-C 3.49Å; K15-Y31 VanDerWaalsContact O-CA 3.32Å; K15-Y31 WeakPolarHBondContact O-CA 3.3Å; H29-Y31 HydrophobicContact CB-CD2 4.31Å; H29-Y31 HydrophobicContact CB-CE2 3.47Å; H29-Y31 VanDerWaalsContact CB-CE2 3.47Å; Y31-R37 WeakPolarHBondContact O-CA 3.44Å; Y31-V38 PolarHBondContact N-O 3.14Å; Y31-V38 PolarHBondContact O-N 3.13Å; Y31-V40 HydrophobicContact CD2-CB 4.15Å; Y31-V40 HydrophobicContact CD2-CG2 3.68Å; Y31-V40 HydrophobicContact CE2-CB 3.95Å; Y31-V40 HydrophobicContact CE2-CG2 3.95Å
32D95.8Very high88.3Confident46 Ų4646.9 Ų46.925%0.24628%0.275CS..EExtended strand (participates in β ladder)trans-78.1128.3166.2-66.1-35.9000109M13 L14 K15 R37M13-D32 HydrophobicContact CE-CB 4.22Å; L14-D32 WeakPolarHBondContact CA-O 3.5Å; K15-D32 HydrophobicContact CB-CB 4.41Å; K15-D32 PolarHBondContact N-O 3.06Å; K15-D32 PolarHBondContact O-N 3.26Å; D32-R37 IonicContact OD1-CZ 2.77Å; D32-R37 VanDerWaalsContact OD1-CZ 3.28Å; D32-R37 IonicContact OD1-NE 3.82Å; D32-R37 PolarHBondContact OD1-NE 3.41Å; D32-R37 IonicContact OD1-NH2 3.5Å; D32-R37 PolarHBondContact OD1-NH2 3.43Å; D32-R37 IonicContact OD2-NH2 3.21Å; D32-R37 PolarHBondContact OD2-NH2 3.31Å
33T95.6Very high90Very high11 Ų1144.5 Ų44.57%0.06725%0.248CC..EExtended strand (participates in β ladder)trans-121.1171.7176.180.90000110.7T11 M13 L14 H35 G36 V38T11-T33 HydrophobicContact CG2-CG2 4.28Å; T11-T33 WeakPolarHBondContact OG1-CB 3.43Å; M13-T33 WeakPolarHBondContact CE-O 3.47Å; M13-T33 WeakPolarHBondContact O-CA 3.27Å; L14-T33 HydrophobicContact CD1-CG2 4.07Å; T33-H35 PolarHBondContact O-N 3.12Å; T33-H35 VanDerWaalsContact O-N 3.17Å; T33-H35 PolarHBondContact OG1-N 3.19Å; T33-H35 VanDerWaalsContact OG1-N 3.13Å; T33-G36 WeakPolarHBondContact CB-O 3.46Å; T33-G36 PolarHBondContact N-O 3.2Å; T33-G36 PolarHBondContact O-N 2.84Å; T33-G36 PolarHBondContact OG1-N 2.83Å; T33-G36 PolarHBondContact OG1-O 3.04Å; T33-V38 HydrophobicContact CG2-CG1 4.36Å; T33-V38 HydrophobicContact CG2-CG2 3.83Å
34D94.6Very high91.5Very high80 Ų8046.3 Ų46.343%0.42824%0.242SC..THydrogen-bonded Turntrans-63-19.4175.2-60.4-37.9000112.6T11 N12 M13T11-D34 PolarHBondContact OG1-N 3.38Å; T11-D34 VanDerWaalsContact OG1-N 3.12Å; T11-D34 PolarHBondContact OG1-OD2 2.92Å; N12-D34 WeakPolarHBondContact CA-OD2 3.49Å; N12-D34 WeakPolarHBondContact CB-OD2 3.49Å; N12-D34 PolarHBondContact N-OD2 3.28Å; M13-D34 WeakPolarHBondContact CB-OD1 3.49Å; M13-D34 PolarHBondContact N-OD2 3.3Å
35H93.1Very high92.9Very high141 Ų14146.7 Ų46.765%0.65323%0.23SC*.THydrogen-bonded Turntrans-106.912.5-176.2-53.4-60.7000113.1G10 T33G10-H35 PolarHBondContact O-NE2 3.43Å; T33-H35 PolarHBondContact O-N 3.12Å; T33-H35 VanDerWaalsContact O-N 3.17Å; T33-H35 PolarHBondContact OG1-N 3.19Å; T33-H35 VanDerWaalsContact OG1-N 3.13Å
36G93.5Very high93.4Very high38 Ų3848.7 Ų48.739%0.39225%0.249SC..EExtended strand (participates in β ladder)trans108.5-178.6-175.700000113.3T33T33-G36 WeakPolarHBondContact CB-O 3.46Å; T33-G36 PolarHBondContact N-O 3.2Å; T33-G36 PolarHBondContact O-N 2.84Å; T33-G36 PolarHBondContact OG1-N 2.83Å; T33-G36 PolarHBondContact OG1-O 3.04Å
37R95.8Very high93.7Very high96 Ų9650 Ų5036%0.36227%0.266SS..EExtended strand (participates in β ladder)trans-84.1136.4-176.5-172.4175.6-71.7172.1-2.6111.3Y31 D32 H90Y31-R37 WeakPolarHBondContact O-CA 3.44Å; D32-R37 IonicContact OD1-CZ 2.77Å; D32-R37 VanDerWaalsContact OD1-CZ 3.28Å; D32-R37 IonicContact OD1-NE 3.82Å; D32-R37 PolarHBondContact OD1-NE 3.41Å; D32-R37 IonicContact OD1-NH2 3.5Å; D32-R37 PolarHBondContact OD1-NH2 3.43Å; D32-R37 IonicContact OD2-NH2 3.21Å; D32-R37 PolarHBondContact OD2-NH2 3.31Å; R37-H90 HydrophobicContact CB-CB 4.06Å; R37-H90 WeakPolarHBondContact CD-CD2 3.2Å; R37-H90 HydrophobicContact CG-CB 3.61Å
38V96.6Very high93.8Very high11 Ų1144.7 Ų44.77%0.06724%0.241CC..EExtended strand (participates in β ladder)trans-122.5151.5176.1-60.20000110.8L9 S30 Y31 T33 V40 L74 V87L9-V38 HydrophobicContact CD1-CG2 4.42Å; S30-V38 CarbonylContact C-O 3.58Å; S30-V38 VanDerWaalsContact CA-O 3.3Å; S30-V38 WeakPolarHBondContact CA-O 3.47Å; Y31-V38 PolarHBondContact N-O 3.14Å; Y31-V38 PolarHBondContact O-N 3.13Å; T33-V38 HydrophobicContact CG2-CG1 4.36Å; T33-V38 HydrophobicContact CG2-CG2 3.83Å; V38-V40 HydrophobicContact CG2-CG2 4.12Å; V38-L74 HydrophobicContact CG1-CD2 4.18Å; V38-V87 HydrophobicContact CB-CG1 3.94Å; V38-V87 HydrophobicContact CG1-CG1 4.29Å; V38-V87 HydrophobicContact CG2-CG1 4.17Å
39F96.5Very high94Very high38 Ų3848.3 Ų48.317%0.16726%0.256CS..EExtended strand (participates in β ladder)trans-103.5134.2168-176.6-103.3000109.2G21 K41 V87 M88 H90G21-F39 WeakPolarHBondContact O-CZ 3.5Å; F39-K41 HydrophobicContact CD1-CG 4.21Å; F39-K41 HydrophobicContact CE1-CD 4.43Å; F39-K41 HydrophobicContact CE1-CG 3.58Å; F39-K41 HydrophobicContact CZ-CG 4.45Å; F39-V87 WeakPolarHBondContact O-CA 3.36Å; F39-M88 HydrophobicContact CB-CG 4.08Å; F39-M88 HydrophobicContact CD1-CG 3.98Å; F39-M88 HydrophobicContact CD1-SD 4.01Å; F39-M88 PolarHBondContact N-O 3.15Å; F39-M88 PolarHBondContact O-N 3.15Å; F39-H90 HydrophobicContact CB-CB 4.45Å
40V96.3Very high94.1Very high0 Ų049.8 Ų49.80%027%0.265CS..EExtended strand (participates in β ladder)trans-125.4116.6-177.2-176.60000108.9L5 G28 H29 Y31 V38 I42 L85 F86 V87L5-V40 HydrophobicContact CD1-CG1 4.42Å; L5-V40 HydrophobicContact CD2-CG1 4.29Å; L5-V40 HydrophobicContact CD2-CG2 4.41Å; G28-V40 VanDerWaalsContact CA-O 3.27Å; G28-V40 WeakPolarHBondContact CA-O 3.38Å; H29-V40 PolarHBondContact N-O 3.15Å; H29-V40 PolarHBondContact O-N 3.19Å; Y31-V40 HydrophobicContact CD2-CB 4.15Å; Y31-V40 HydrophobicContact CD2-CG2 3.68Å; Y31-V40 HydrophobicContact CE2-CB 3.95Å; Y31-V40 HydrophobicContact CE2-CG2 3.95Å; V38-V40 HydrophobicContact CG2-CG2 4.12Å; V40-I42 HydrophobicContact CG1-CG1 4.23Å; V40-L85 HydrophobicContact CG1-CB 4.13Å; V40-L85 HydrophobicContact CG1-CD2 4.47Å; V40-F86 CarbonylContact C-O 3.54Å; V40-F86 WeakPolarHBondContact CA-O 3.37Å; V40-V87 HydrophobicContact CG1-CG2 4.36Å; V40-V87 HydrophobicContact CG2-CG1 4.21Å; V40-V87 HydrophobicContact CG2-CG2 4.15Å
41K95.6Very high94.1Very high12 Ų1250.5 Ų50.55%0.05227%0.268CS..EExtended strand (participates in β ladder)trans-83.8143.7165.7-61.8-175.4-178.9-176.90110.4E27 F39 F52 E55 L85 F86 M88 D234E27-K41 CarbonylContact O-C 3.57Å; E27-K41 VanDerWaalsContact O-CA 3.28Å; E27-K41 WeakPolarHBondContact O-CA 3.35Å; F39-K41 HydrophobicContact CD1-CG 4.21Å; F39-K41 HydrophobicContact CE1-CD 4.43Å; F39-K41 HydrophobicContact CE1-CG 3.58Å; F39-K41 HydrophobicContact CZ-CG 4.45Å; K41-F52 HydrophobicContact CB-CE1 3.69Å; K41-F52 HydrophobicContact CB-CZ 3.7Å; K41-F52 HydrophobicContact CD-CE1 3.95Å; K41-E55 IonicContact NZ-OE1 3.22Å; K41-E55 PolarHBondContact NZ-OE1 2.9Å; K41-E55 IonicContact NZ-OE2 3.23Å; K41-E55 PolarHBondContact NZ-OE2 3.24Å; K41-L85 CarbonylContact O-C 3.55Å; K41-L85 WeakPolarHBondContact O-CA 3.27Å; K41-F86 HydrophobicContact CB-CB 4.28Å; K41-F86 HydrophobicContact CD-CD1 4.45Å; K41-F86 PolarHBondContact N-O 3.09Å; K41-F86 PolarHBondContact O-N 2.77Å; K41-M88 HydrophobicContact CD-CE 3.96Å; K41-M88 HydrophobicContact CG-CE 4.16Å; K41-D234 WeakPolarHBondContact CE-OD1 3.37Å; K41-D234 IonicContact NZ-OD1 2.72Å; K41-D234 PolarHBondContact NZ-OD1 2.97Å; K41-D234 IonicContact NZ-OD2 2.64Å; K41-D234 PolarHBondContact NZ-OD2 3.24Å
42I94.2Very high94.2Very high6 Ų649 Ų493%0.03126%0.262CS..EExtended strand (participates in β ladder)trans-131.1128.5-175.7-48.3180000107.8M1 S26 E27 V40 H44 L85M1-I42 HydrophobicContact CE-CD1 3.91Å; M1-I42 HydrophobicContact CE-CG2 3.6Å; M1-I42 HydrophobicContact SD-CD1 3.67Å; M1-I42 HydrophobicContact SD-CG1 4.49Å; S26-I42 WeakPolarHBondContact CB-O 3.29Å; E27-I42 HydrophobicContact CB-CB 4.38Å; E27-I42 PolarHBondContact N-O 3.36Å; E27-I42 VanDerWaalsContact N-O 3.09Å; E27-I42 PolarHBondContact O-N 3.17Å; V40-I42 HydrophobicContact CG1-CG1 4.23Å; I42-H44 WeakPolarHBondContact CG2-NE2 3.07Å; I42-L85 HydrophobicContact CB-CD2 4.1Å; I42-L85 HydrophobicContact CG1-CD2 3.83Å; I42-L85 HydrophobicContact CG2-CD2 3.76Å
43N93.6Very high94.2Very high9 Ų949.5 Ų49.55%0.04827%0.265CS..EExtended strand (participates in β ladder)trans-143.3125.6172.8-166.7-46.6000110.5I25 S26 K45 A48 M51 F52 G83 C84I25-N43 PolarHBondContact O-ND2 3.48Å; I25-N43 VanDerWaalsContact O-ND2 3.16Å; S26-N43 PolarHBondContact OG-ND2 3.47Å; S26-N43 VanDerWaalsContact OG-ND2 3.08Å; N43-K45 WeakPolarHBondContact OD1-CB 3.47Å; N43-K45 PolarHBondContact OD1-N 2.98Å; N43-A48 HydrophobicContact CB-CB 3.71Å; N43-M51 HydrophobicContact CB-CE 4.18Å; N43-F52 HydrophobicContact CB-CE2 3.8Å; N43-F52 HydrophobicContact CB-CZ 3.8Å; N43-G83 CarbonylContact O-C 3.57Å; N43-G83 WeakPolarHBondContact O-CA 3.36Å; N43-C84 PolarHBondContact N-O 3.42Å; N43-C84 PolarHBondContact O-N 2.99Å
44H92Very high94.4Very high91 Ų9149 Ų4942%0.42126%0.262SS..  trans-92.34.5-174.4-68.2-66000114.6I42I42-H44 WeakPolarHBondContact CG2-NE2 3.07Å
45K90.5Very high94.6Very high128 Ų12845.9 Ų45.956%0.55725%0.245SC*.SBendtrans-89.1148.9179.7-60.4-178179.3178.30111.4N43 G47 A48N43-K45 WeakPolarHBondContact OD1-CB 3.47Å; N43-K45 PolarHBondContact OD1-N 2.98Å; K45-G47 PolarHBondContact O-N 3.08Å; K45-G47 VanDerWaalsContact O-N 3.14Å; K45-A48 WeakPolarHBondContact O-CB 3.31Å; K45-A48 PolarHBondContact O-N 3.29Å
46S87.3Confident94.8Very high97 Ų9741 Ų4168%0.67822%0.223SC*.THydrogen-bonded Turntrans-54.1-29.9174.927.20000114.9A48 E82S46-A48 VanDerWaalsContact C-N 3.26Å; S46-A48 PolarHBondContact O-N 3.41Å; S46-E82 VanDerWaalsContact CA-OE1 3.3Å; S46-E82 WeakPolarHBondContact CA-OE1 3.44Å; S46-E82 WeakPolarHBondContact CB-OE1 3.46Å; S46-E82 PolarHBondContact N-OE1 3.23Å; S46-E82 PolarHBondContact OG-OE1 2.84Å
47G89.8Confident95Very high47 Ų4740.3 Ų40.349%0.48521%0.212SC..THydrogen-bonded Turntrans-75.7-6.5175.800000115.1K45 K49 L50 M51K45-G47 PolarHBondContact O-N 3.08Å; K45-G47 VanDerWaalsContact O-N 3.14Å; G47-K49 VanDerWaalsContact C-N 3.29Å; G47-K49 PolarHBondContact O-N 2.91Å; G47-L50 PolarHBondContact O-N 3.49Å; G47-M51 PolarHBondContact O-N 3.45Å
48A93.2Very high95.2Very high1 Ų135.8 Ų35.81%0.00820%0.195CC..Hα-helixtrans-61.2-35.7-173.500000113.3N43 K45 S46 M51 F52 C84N43-A48 HydrophobicContact CB-CB 3.71Å; K45-A48 WeakPolarHBondContact O-CB 3.31Å; K45-A48 PolarHBondContact O-N 3.29Å; S46-A48 VanDerWaalsContact C-N 3.26Å; S46-A48 PolarHBondContact O-N 3.41Å; A48-M51 PolarHBondContact O-N 3.46Å; A48-F52 HydrophobicContact CB-CD2 4.4Å; A48-F52 HydrophobicContact CB-CE2 4.32Å; A48-F52 WeakPolarHBondContact O-CB 3.5Å; A48-F52 WeakPolarHBondContact O-CD2 3.33Å; A48-F52 WeakPolarHBondContact O-CG 3.41Å; A48-F52 PolarHBondContact O-N 2.79Å; A48-C84 HydrophobicContact CB-CB 3.94Å
49K95.1Very high95.3Very high78 Ų7835.3 Ų35.334%0.33919%0.192SC..Hα-helixtrans-60.6-52.7179.6-178.6168.4177.746.80111.7G47 M51 F52 D53 E78G47-K49 VanDerWaalsContact C-N 3.29Å; G47-K49 PolarHBondContact O-N 2.91Å; K49-M51 VanDerWaalsContact C-N 3.27Å; K49-M51 PolarHBondContact O-N 3.35Å; K49-F52 PolarHBondContact O-N 2.64Å; K49-D53 WeakPolarHBondContact CE-OD2 3.34Å; K49-D53 VanDerWaalsContact CG-OD2 3.26Å; K49-D53 WeakPolarHBondContact CG-OD2 3.35Å; K49-D53 IonicContact NZ-OD1 2.79Å; K49-D53 IonicContact NZ-OD2 2.83Å; K49-D53 PolarHBondContact NZ-OD2 3.39Å; K49-D53 VanDerWaalsContact O-CB 3.28Å; K49-D53 WeakPolarHBondContact O-CB 3.24Å; K49-D53 PolarHBondContact O-N 2.89Å; K49-E78 HydrophobicContact CD-CG 4.17Å; K49-E78 VanDerWaalsContact CD-OE1 3.3Å; K49-E78 WeakPolarHBondContact CD-OE1 3.38Å; K49-E78 WeakPolarHBondContact CE-OE1 3.39Å; K49-E78 IonicContact NZ-OE1 3.59Å; K49-E78 PolarHBondContact NZ-OE1 2.68Å
50L95.6Very high95.4Very high78 Ų7836.9 Ų36.941%0.40820%0.2SC..Hα-helixtrans-56.7-45.4178.6-175.981.7000111G47 G54 N148 A155G47-L50 PolarHBondContact O-N 3.49Å; L50-G54 PolarHBondContact O-N 3.24Å; L50-N148 HydrophobicContact CD1-CB 4.34Å; L50-A155 HydrophobicContact CD2-CB 3.62Å
51M95.7Very high95.5Very high19 Ų1937.5 Ų37.59%0.09420%0.204CC..Hα-helixtrans-62.1-50.3-179.6-177.6-178.269.800111.7I25 S26 N43 G47 A48 K49 G54 E55 C150I25-M51 HydrophobicContact CG2-SD 4.13Å; S26-M51 WeakPolarHBondContact OG-CE 3.3Å; N43-M51 HydrophobicContact CB-CE 4.18Å; G47-M51 PolarHBondContact O-N 3.45Å; A48-M51 PolarHBondContact O-N 3.46Å; K49-M51 VanDerWaalsContact C-N 3.27Å; K49-M51 PolarHBondContact O-N 3.35Å; M51-G54 PolarHBondContact O-N 3.18Å; M51-E55 WeakPolarHBondContact O-CB 3.4Å; M51-E55 PolarHBondContact O-N 2.83Å; M51-C150 HydrophobicContact CB-CB 4.24Å; M51-C150 HydrophobicContact CG-CB 3.99Å
52F97.2Very high95.6Very high1 Ų137 Ų370%0.00420%0.202CC..Hα-helixtrans-74-34.1-178.3-68.8-37.5000113.5K41 N43 A48 K49 G54 E55 M56 V76 C84 F86K41-F52 HydrophobicContact CB-CE1 3.69Å; K41-F52 HydrophobicContact CB-CZ 3.7Å; K41-F52 HydrophobicContact CD-CE1 3.95Å; N43-F52 HydrophobicContact CB-CE2 3.8Å; N43-F52 HydrophobicContact CB-CZ 3.8Å; A48-F52 HydrophobicContact CB-CD2 4.4Å; A48-F52 HydrophobicContact CB-CE2 4.32Å; A48-F52 WeakPolarHBondContact O-CB 3.5Å; A48-F52 WeakPolarHBondContact O-CD2 3.33Å; A48-F52 WeakPolarHBondContact O-CG 3.41Å; A48-F52 PolarHBondContact O-N 2.79Å; K49-F52 PolarHBondContact O-N 2.64Å; F52-G54 VanDerWaalsContact C-N 3.31Å; F52-E55 PolarHBondContact O-N 3.12Å; F52-M56 VanDerWaalsContact O-CB 3.24Å; F52-M56 WeakPolarHBondContact O-CB 3.03Å; F52-M56 PolarHBondContact O-N 3.43Å; F52-V76 HydrophobicContact CB-CG1 3.96Å; F52-V76 HydrophobicContact CB-CG2 3.84Å; F52-C84 HydrophobicContact CD2-CB 3.66Å; F52-C84 HydrophobicContact CE2-CB 4.09Å; F52-C84 WeakPolarHBondContact CE2-O 3.48Å; F52-F86 HydrophobicContact CB-CB 3.9Å; F52-F86 HydrophobicContact CB-CD1 4.47Å; F52-F86 HydrophobicContact CB-CG 4.21Å; F52-F86 HydrophobicContact CD1-CB 3.52Å; F52-F86 AromaticContact CD1-CD1 3.86Å; F52-F86 HydrophobicContact CD1-CD1 3.86Å; F52-F86 HydrophobicContact CD1-CG 4.07Å; F52-F86 HydrophobicContact CD2-CB 3.89Å; F52-F86 HydrophobicContact CE1-CB 3.91Å; F52-F86 HydrophobicContact CE1-CD1 4.49Å; F52-F86 HydrophobicContact CE2-CB 4.26Å; F52-F86 HydrophobicContact CG-CB 3.52Å; F52-F86 HydrophobicContact CG-CD1 4.41Å; F52-F86 HydrophobicContact CG-CG 4.22Å; F52-F86 HydrophobicContact CZ-CB 4.27Å
53D97.6Very high95.8Very high57 Ų5740 Ų4031%0.30522%0.218SC..Hα-helixtrans-63.7-40.6172.8-71.5-15.5000110.2K49 S57K49-D53 WeakPolarHBondContact CE-OD2 3.34Å; K49-D53 VanDerWaalsContact CG-OD2 3.26Å; K49-D53 WeakPolarHBondContact CG-OD2 3.35Å; K49-D53 IonicContact NZ-OD1 2.79Å; K49-D53 IonicContact NZ-OD2 2.83Å; K49-D53 PolarHBondContact NZ-OD2 3.39Å; K49-D53 VanDerWaalsContact O-CB 3.28Å; K49-D53 WeakPolarHBondContact O-CB 3.24Å; K49-D53 PolarHBondContact O-N 2.89Å; D53-S57 WeakPolarHBondContact O-CB 3.34Å; D53-S57 PolarHBondContact O-N 2.84Å
54G98.3Very high96Very high1 Ų144.8 Ų44.81%0.0124%0.238CC..Hα-helixtrans-65-44.517400000113.4L50 M51 F52 S57 S58L50-G54 PolarHBondContact O-N 3.24Å; M51-G54 PolarHBondContact O-N 3.18Å; F52-G54 VanDerWaalsContact C-N 3.31Å; G54-S57 PolarHBondContact O-N 2.86Å; G54-S58 WeakPolarHBondContact O-CB 3.25Å; G54-S58 PolarHBondContact O-N 2.9Å; G54-S58 PolarHBondContact O-OG 3.36Å
55E98.4Very high96.3Very high15 Ų1540.9 Ų40.97%0.0722%0.22CC..Hα-helixtrans-64.7-43.3177-165.4-171.7150.600111.5K41 M51 F52 S58 L59 F86 P235K41-E55 IonicContact NZ-OE1 3.22Å; K41-E55 PolarHBondContact NZ-OE1 2.9Å; K41-E55 IonicContact NZ-OE2 3.23Å; K41-E55 PolarHBondContact NZ-OE2 3.24Å; M51-E55 WeakPolarHBondContact O-CB 3.4Å; M51-E55 PolarHBondContact O-N 2.83Å; F52-E55 PolarHBondContact O-N 3.12Å; E55-S58 WeakPolarHBondContact O-CB 3.5Å; E55-S58 PolarHBondContact O-N 2.85Å; E55-L59 HydrophobicContact CG-CD1 4.29Å; E55-L59 WeakPolarHBondContact O-CG 3.37Å; E55-L59 PolarHBondContact O-N 2.93Å; E55-F86 HydrophobicContact CB-CD1 4.43Å; E55-F86 HydrophobicContact CB-CE1 3.98Å; E55-F86 HydrophobicContact CG-CD1 4.43Å; E55-F86 HydrophobicContact CG-CE1 3.81Å; E55-P235 HydrophobicContact CG-CG 4.37Å
56M98.5Very high96.6Very high39 Ų3942 Ų4219%0.19223%0.225CC..Hα-helixtrans-58.5-51.7175.2177.5165.1175.800111.3F52 S58 L59 E60 P73 V76 F86F52-M56 VanDerWaalsContact O-CB 3.24Å; F52-M56 WeakPolarHBondContact O-CB 3.03Å; F52-M56 PolarHBondContact O-N 3.43Å; M56-S58 VanDerWaalsContact C-N 3.26Å; M56-S58 PolarHBondContact O-N 3.19Å; M56-L59 PolarHBondContact O-N 3.31Å; M56-E60 WeakPolarHBondContact CE-OE1 3.38Å; M56-E60 HydrophobicContact CG-CG 4.49Å; M56-E60 WeakPolarHBondContact O-CG 3.18Å; M56-E60 PolarHBondContact O-N 2.81Å; M56-P73 HydrophobicContact CG-CB 4.06Å; M56-V76 HydrophobicContact CB-CG2 4.17Å; M56-V76 HydrophobicContact SD-CG2 3.88Å; M56-F86 HydrophobicContact CB-CE2 3.74Å; M56-F86 HydrophobicContact CB-CZ 3.74Å; M56-F86 HydrophobicContact CG-CE2 4.12Å; M56-F86 HydrophobicContact CG-CZ 4.39Å; M56-F86 HydrophobicContact SD-CE2 4.3Å
57S98.5Very high97.2Very high23 Ų2338.5 Ų38.516%0.16120%0.2CC..Hα-helixtrans-59.9-38.1178.1-177.50000112.3D53 G54 T61 F145D53-S57 WeakPolarHBondContact O-CB 3.34Å; D53-S57 PolarHBondContact O-N 2.84Å; G54-S57 PolarHBondContact O-N 2.86Å; S57-T61 WeakPolarHBondContact O-CB 3.33Å; S57-T61 PolarHBondContact O-N 3.09Å; S57-T61 PolarHBondContact O-OG1 3.37Å; S57-F145 WeakPolarHBondContact OG-CE1 3.49Å
58S98.8Very high97.6Very high0 Ų036.7 Ų36.70%018%0.18CC..Hα-helixtrans-62.6-51.1175.2-60.40000111.9G54 E55 M56 E60 T61 I62 T149 P235 S237G54-S58 WeakPolarHBondContact O-CB 3.25Å; G54-S58 PolarHBondContact O-N 2.9Å; G54-S58 PolarHBondContact O-OG 3.36Å; E55-S58 WeakPolarHBondContact O-CB 3.5Å; E55-S58 PolarHBondContact O-N 2.85Å; M56-S58 VanDerWaalsContact C-N 3.26Å; M56-S58 PolarHBondContact O-N 3.19Å; S58-E60 PolarHBondContact O-N 3.46Å; S58-T61 PolarHBondContact O-N 2.85Å; S58-I62 WeakPolarHBondContact O-CG1 3.49Å; S58-I62 PolarHBondContact O-N 3.31Å; S58-T149 WeakPolarHBondContact OG-CG2 3.49Å; S58-P235 VanDerWaalsContact CB-CG 3.44Å; S58-S237 WeakPolarHBondContact CB-OG 3.35Å; S58-S237 WeakPolarHBondContact OG-CB 3.43Å; S58-S237 PolarHBondContact OG-N 3.5Å
59L98.8Very high97.8Very high1 Ų139.6 Ų39.61%0.00519%0.192CC..Hα-helixtrans-61.9-43.9178.8-71.8169000111.9E55 M56 T61 I62 L63 V70 P73 F86 P235E55-L59 HydrophobicContact CG-CD1 4.29Å; E55-L59 WeakPolarHBondContact O-CG 3.37Å; E55-L59 PolarHBondContact O-N 2.93Å; M56-L59 PolarHBondContact O-N 3.31Å; L59-T61 VanDerWaalsContact C-N 3.32Å; L59-T61 PolarHBondContact O-N 3.1Å; L59-I62 PolarHBondContact O-N 3.3Å; L59-L63 VanDerWaalsContact O-CB 3.23Å; L59-L63 WeakPolarHBondContact O-CB 3.48Å; L59-L63 PolarHBondContact O-N 3.39Å; L59-V70 HydrophobicContact CD2-CB 3.72Å; L59-V70 HydrophobicContact CD2-CG1 4.27Å; L59-V70 HydrophobicContact CD2-CG2 4.17Å; L59-P73 HydrophobicContact CB-CB 4.2Å; L59-P73 HydrophobicContact CB-CG 3.84Å; L59-P73 HydrophobicContact CD1-CB 4.27Å; L59-F86 HydrophobicContact CD1-CE1 3.82Å; L59-F86 HydrophobicContact CD1-CZ 3.76Å; L59-P235 HydrophobicContact CD2-CG 3.8Å; L59-P235 HydrophobicContact CG-CG 3.77Å
60E98.5Very high98Very high71 Ų7136 Ų3633%0.33218%0.177SC..Hα-helixtrans-60.2-42.5175.9-72.8-176.7165.300111.9M56 S58 L63 K64 P73M56-E60 WeakPolarHBondContact CE-OE1 3.38Å; M56-E60 HydrophobicContact CG-CG 4.49Å; M56-E60 WeakPolarHBondContact O-CG 3.18Å; M56-E60 PolarHBondContact O-N 2.81Å; S58-E60 PolarHBondContact O-N 3.46Å; E60-L63 PolarHBondContact O-N 3.29Å; E60-K64 VanDerWaalsContact O-CG 3.28Å; E60-K64 WeakPolarHBondContact O-CG 3.14Å; E60-K64 PolarHBondContact O-N 3.39Å; E60-K64 VanDerWaalsContact O-N 3.09Å; E60-P73 HydrophobicContact CB-CG 4.49Å; E60-P73 HydrophobicContact CG-CG 3.5Å; E60-P73 VanDerWaalsContact CG-CG 3.5Å
61T98.3Very high98.1Very high14 Ų1432.4 Ų32.49%0.08616%0.158CC..Hα-helixtrans-67.7-44.6-179.1-55.50000111S57 S58 L59 L63 K64 T65 M137 F145 L213S57-T61 WeakPolarHBondContact O-CB 3.33Å; S57-T61 PolarHBondContact O-N 3.09Å; S57-T61 PolarHBondContact O-OG1 3.37Å; S58-T61 PolarHBondContact O-N 2.85Å; L59-T61 VanDerWaalsContact C-N 3.32Å; L59-T61 PolarHBondContact O-N 3.1Å; T61-L63 PolarHBondContact O-N 3.29Å; T61-K64 PolarHBondContact O-N 3.26Å; T61-T65 WeakPolarHBondContact O-CG2 3.4Å; T61-M137 HydrophobicContact CG2-CE 3.86Å; T61-F145 HydrophobicContact CG2-CE2 4.16Å; T61-F145 HydrophobicContact CG2-CZ 4.34Å; T61-L213 HydrophobicContact CG2-CD1 3.97Å; T61-L213 HydrophobicContact CG2-CD2 3.66Å; T61-L213 HydrophobicContact CG2-CG 4.49Å
62I98.6Very high98.2Very high0 Ų036.7 Ų36.70%018%0.176CC..Hα-helixtrans-62.6-44.4175.7-64.7166.7000110.5S58 L59 K64 T65 V68 V70 L110 L213 P235S58-I62 WeakPolarHBondContact O-CG1 3.49Å; S58-I62 PolarHBondContact O-N 3.31Å; L59-I62 PolarHBondContact O-N 3.3Å; I62-K64 VanDerWaalsContact C-N 3.3Å; I62-K64 PolarHBondContact O-N 3.14Å; I62-T65 WeakPolarHBondContact O-CB 3.42Å; I62-T65 PolarHBondContact O-N 2.83Å; I62-T65 PolarHBondContact O-OG1 3.28Å; I62-V68 HydrophobicContact CG2-CG1 3.73Å; I62-V70 HydrophobicContact CB-CG1 4.12Å; I62-V70 HydrophobicContact CD1-CG1 4.43Å; I62-V70 HydrophobicContact CG2-CG1 3.49Å; I62-V70 VanDerWaalsContact CG2-CG1 3.49Å; I62-V70 HydrophobicContact CG2-CG2 4.39Å; I62-L110 HydrophobicContact CG2-CD1 4.15Å; I62-L213 HydrophobicContact CG1-CD2 4.1Å; I62-P235 HydrophobicContact CD1-CB 3.97Å; I62-P235 HydrophobicContact CD1-CG 4.37Å
63L98.1Very high98.2Very high70 Ų7037.6 Ų37.637%0.36618%0.182SC..Hα-helixtrans-58.2-40.9-179.8-174.267.8000112.2L59 E60 T61 T65 K66 V70 K72L59-L63 VanDerWaalsContact O-CB 3.23Å; L59-L63 WeakPolarHBondContact O-CB 3.48Å; L59-L63 PolarHBondContact O-N 3.39Å; E60-L63 PolarHBondContact O-N 3.29Å; T61-L63 PolarHBondContact O-N 3.29Å; L63-T65 PolarHBondContact O-N 3.2Å; L63-K66 PolarHBondContact O-N 3.31Å; L63-K66 VanDerWaalsContact O-N 3.16Å; L63-V70 HydrophobicContact CB-CG2 4.06Å; L63-V70 HydrophobicContact CD1-CG2 4.25Å; L63-K72 HydrophobicContact CD1-CG 4.32Å; L63-K72 HydrophobicContact CD2-CG 4.06Å
64K97.7Very high98.2Very high109 Ų10938.8 Ų38.847%0.47419%0.188SC..Hα-helixtrans-61.8-26.2176.9-72.3167.1-174.1169.10113.1E60 T61 I62 K66 M137E60-K64 VanDerWaalsContact O-CG 3.28Å; E60-K64 WeakPolarHBondContact O-CG 3.14Å; E60-K64 PolarHBondContact O-N 3.39Å; E60-K64 VanDerWaalsContact O-N 3.09Å; T61-K64 PolarHBondContact O-N 3.26Å; I62-K64 VanDerWaalsContact C-N 3.3Å; I62-K64 PolarHBondContact O-N 3.14Å; K64-K66 VanDerWaalsContact C-N 3.27Å; K64-K66 PolarHBondContact O-N 3.38Å; K64-M137 HydrophobicContact CB-CG 4.23Å; K64-M137 HydrophobicContact CB-SD 3.42Å; K64-M137 WeakPolarHBondContact CB-SD 3.34Å; K64-M137 HydrophobicContact CD-CG 4.42Å; K64-M137 HydrophobicContact CD-SD 4.16Å; K64-M137 HydrophobicContact CG-SD 4.4Å
65T97.8Very high98.1Very high9 Ų942.4 Ų42.46%0.05520%0.203CC..Hα-helixtrans-71.6-22.2178.474.80000113.5T61 I62 L63 T67 L110 L213T61-T65 WeakPolarHBondContact O-CG2 3.4Å; I62-T65 WeakPolarHBondContact O-CB 3.42Å; I62-T65 PolarHBondContact O-N 2.83Å; I62-T65 PolarHBondContact O-OG1 3.28Å; L63-T65 PolarHBondContact O-N 3.2Å; T65-T67 WeakPolarHBondContact O-CG2 3.46Å; T65-T67 PolarHBondContact O-N 2.72Å; T65-T67 PolarHBondContact OG1-N 3.24Å; T65-T67 PolarHBondContact OG1-OG1 3.25Å; T65-L110 HydrophobicContact CG2-CD1 3.85Å; T65-L110 WeakPolarHBondContact OG1-CD1 3.36Å; T65-L213 HydrophobicContact CG2-CD2 3.71Å
66K97.7Very high98.1Very high151 Ų15142.8 Ų42.866%0.65721%0.207SC*.THydrogen-bonded Turntrans5535-177.2-60167.7179.1159.10113.2L63 K64 E136L63-K66 PolarHBondContact O-N 3.31Å; L63-K66 VanDerWaalsContact O-N 3.16Å; K64-K66 VanDerWaalsContact C-N 3.27Å; K64-K66 PolarHBondContact O-N 3.38Å; K66-E136 VanDerWaalsContact NZ-CD 3.27Å; K66-E136 IonicContact NZ-OE1 3.91Å; K66-E136 PolarHBondContact NZ-OE1 3.21Å; K66-E136 IonicContact NZ-OE2 2.8Å; K66-E136 PolarHBondContact NZ-OE2 2.86Å
67T98.3Very high98Very high24 Ų2441.1 Ų41.115%0.14720%0.199CC..SBendtrans-103-52.1-176.455.40000113.5T65 Q106 D109 L110T65-T67 WeakPolarHBondContact O-CG2 3.46Å; T65-T67 PolarHBondContact O-N 2.72Å; T65-T67 PolarHBondContact OG1-N 3.24Å; T65-T67 PolarHBondContact OG1-OG1 3.25Å; T67-Q106 WeakPolarHBondContact O-CG 3.38Å; T67-D109 HydrophobicContact CG2-CB 4.1Å; T67-L110 WeakPolarHBondContact OG1-CB 3.37Å; T67-L110 WeakPolarHBondContact OG1-CD1 3.4Å
68V98.2Very high97.8Very high10 Ų1045 Ų456%0.06121%0.214CC..SBendtrans-127.6147.1-177.662.80000109.7I62 L103 Q106 L110 I232I62-V68 HydrophobicContact CG2-CG1 3.73Å; V68-L103 HydrophobicContact CG2-CD1 4.04Å; V68-Q106 HydrophobicContact CB-CB 4.08Å; V68-Q106 HydrophobicContact CG2-CB 4.3Å; V68-L110 HydrophobicContact CG1-CD2 4.19Å; V68-I232 HydrophobicContact CB-CD1 4.48Å; V68-I232 HydrophobicContact CG1-CD1 3.54Å; V68-I232 HydrophobicContact CG1-CG1 4.16Å; V68-I232 HydrophobicContact CG2-CD1 4.13Å; V68-I232 HydrophobicContact CG2-CG1 4.21Å; V68-I232 HydrophobicContact CG2-CG2 4.09Å
69K98.6Very high97.5Very high61 Ų6146 Ų4627%0.26522%0.219SC..BIsolated β-bridgetrans-73.1135.8179.3-167.6170.9-174169.30110.1D228 P230 V231 I232K69-D228 IonicContact NZ-OD1 2.6Å; K69-D228 PolarHBondContact NZ-OD1 3.36Å; K69-D228 IonicContact NZ-OD2 3.04Å; K69-D228 PolarHBondContact NZ-OD2 3.44Å; K69-P230 WeakPolarHBondContact CB-O 3.3Å; K69-V231 HydrophobicContact CB-CB 4.38Å; K69-V231 HydrophobicContact CB-CG2 4.5Å; K69-V231 HydrophobicContact CG-CB 4.47Å; K69-V231 HydrophobicContact CG-CG2 4.34Å; K69-V231 WeakPolarHBondContact O-CA 3.27Å; K69-V231 WeakPolarHBondContact O-CG2 3.43Å; K69-I232 PolarHBondContact O-N 3.47Å
70V98.5Very high96.9Very high3 Ų352.7 Ų52.72%0.01826%0.255CS..  trans-134.4154.4170-62.40000109L59 I62 L63 K72 I232L59-V70 HydrophobicContact CD2-CB 3.72Å; L59-V70 HydrophobicContact CD2-CG1 4.27Å; L59-V70 HydrophobicContact CD2-CG2 4.17Å; I62-V70 HydrophobicContact CB-CG1 4.12Å; I62-V70 HydrophobicContact CD1-CG1 4.43Å; I62-V70 HydrophobicContact CG2-CG1 3.49Å; I62-V70 VanDerWaalsContact CG2-CG1 3.49Å; I62-V70 HydrophobicContact CG2-CG2 4.39Å; L63-V70 HydrophobicContact CB-CG2 4.06Å; L63-V70 HydrophobicContact CD1-CG2 4.25Å; V70-K72 PolarHBondContact O-N 3.34Å; V70-I232 WeakPolarHBondContact CA-O 3.34Å; V70-I232 HydrophobicContact CG1-CD1 4.33Å; V70-I232 HydrophobicContact CG1-CG1 3.63Å
71P97.9Very high96.3Very high3 Ų354 Ų542%0.01927%0.269CS..PPolyproline II helixtrans-57.3129.9168.5-1828.4000109.9P73 M88 L91 M93 I232 F233P71-P73 WeakPolarHBondContact O-CD 3.48Å; P71-M88 HydrophobicContact CB-CB 4.39Å; P71-M88 HydrophobicContact CB-CG 4.23Å; P71-M88 HydrophobicContact CB-SD 3.9Å; P71-M88 HydrophobicContact CG-SD 4.31Å; P71-L91 HydrophobicContact CB-CD1 4.22Å; P71-L91 HydrophobicContact CG-CD1 4.02Å; P71-M93 HydrophobicContact CG-CE 4.13Å; P71-I232 WeakPolarHBondContact CD-O 3.36Å; P71-F233 HydrophobicContact CG-CB 3.95Å
72K98.1Very high95.8Very high108 Ų10859 Ų5947%0.4729%0.291SS..PPolyproline II helixtrans-66.5121.4175.2-67.2166.2-170.5155.70109.5L63 V70 L74 M88 E89L63-K72 HydrophobicContact CD1-CG 4.32Å; L63-K72 HydrophobicContact CD2-CG 4.06Å; V70-K72 PolarHBondContact O-N 3.34Å; K72-L74 VanDerWaalsContact O-CD1 3.3Å; K72-L74 WeakPolarHBondContact O-CD1 3.37Å; K72-M88 CarbonylContact O-C 3.58Å; K72-M88 VanDerWaalsContact O-CA 3.3Å; K72-M88 WeakPolarHBondContact O-CA 3.01Å; K72-M88 WeakPolarHBondContact O-CB 3.47Å; K72-E89 HydrophobicContact CB-CB 4.02Å; K72-E89 VanDerWaalsContact CG-OE2 3.32Å; K72-E89 WeakPolarHBondContact CG-OE2 3.32Å; K72-E89 PolarHBondContact N-OE2 3.14Å; K72-E89 VanDerWaalsContact N-OE2 3.13Å; K72-E89 IonicContact NZ-OE1 3.57Å; K72-E89 PolarHBondContact O-N 3.31Å
73P97.9Very high95.5Very high20 Ų2059.5 Ų59.513%0.1330%0.296CS..EExtended strand (participates in β ladder)trans-72.4140.9175.731.1-33000109.6M56 L59 E60 P71 F86M56-P73 HydrophobicContact CG-CB 4.06Å; L59-P73 HydrophobicContact CB-CB 4.2Å; L59-P73 HydrophobicContact CB-CG 3.84Å; L59-P73 HydrophobicContact CD1-CB 4.27Å; E60-P73 HydrophobicContact CB-CG 4.49Å; E60-P73 HydrophobicContact CG-CG 3.5Å; E60-P73 VanDerWaalsContact CG-CG 3.5Å; P71-P73 WeakPolarHBondContact O-CD 3.48Å; P73-F86 HydrophobicContact CB-CE2 3.92Å; P73-F86 HydrophobicContact CB-CZ 3.76Å
74L97.1Very high95.4Very high82 Ų8256.4 Ų56.443%0.42928%0.28SS..EExtended strand (participates in β ladder)trans-108.6-57177.3-84.973.2000111.1V38 K72 V87V38-L74 HydrophobicContact CG1-CD2 4.18Å; K72-L74 VanDerWaalsContact O-CD1 3.3Å; K72-L74 WeakPolarHBondContact O-CD1 3.37Å; L74-V87 WeakPolarHBondContact CA-O 3.19Å; L74-V87 HydrophobicContact CB-CB 4.29Å; L74-V87 HydrophobicContact CB-CG1 4.24Å; L74-V87 WeakPolarHBondContact CB-O 3.37Å; L74-V87 HydrophobicContact CD2-CG1 4.27Å; L74-V87 PolarHBondContact N-O 3.44Å
75K96.7Very high95.3Very high77 Ų7751.2 Ų51.234%0.33526%0.257SS..EExtended strand (participates in β ladder)trans-166141.4-171.3-156.8170-169.2176.60113.9E8 I77 V87E8-K75 HydrophobicContact CB-CD 4.48Å; E8-K75 WeakPolarHBondContact OE2-CE 3.35Å; E8-K75 IonicContact OE2-NZ 2.95Å; E8-K75 PolarHBondContact OE2-NZ 3.14Å; K75-I77 HydrophobicContact CB-CG1 4.44Å; K75-I77 HydrophobicContact CD-CG1 4.11Å; K75-I77 HydrophobicContact CG-CG1 4.09Å; K75-V87 PolarHBondContact N-O 3.02Å; K75-V87 VanDerWaalsContact N-O 3.14Å; K75-V87 PolarHBondContact O-N 2.97Å
76V97.6Very high95.3Very high23 Ų2350.8 Ų50.814%0.13926%0.255CS..EExtended strand (participates in β ladder)trans-94.2130161.7-177.50000109.5F52 M56 C84 L85 F86F52-V76 HydrophobicContact CB-CG1 3.96Å; F52-V76 HydrophobicContact CB-CG2 3.84Å; M56-V76 HydrophobicContact CB-CG2 4.17Å; M56-V76 HydrophobicContact SD-CG2 3.88Å; V76-C84 HydrophobicContact CG1-CB 4.4Å; V76-L85 CarbonylContact C-O 3.28Å; V76-L85 WeakPolarHBondContact CA-O 3.23Å; V76-F86 HydrophobicContact CG2-CD2 3.76Å; V76-F86 HydrophobicContact CG2-CE2 4.26Å; V76-F86 HydrophobicContact CG2-CG 4.34Å
77I96.6Very high95.3Very high5 Ų543.6 Ų43.63%0.02622%0.223CC..EExtended strand (participates in β ladder)trans-125.6114.6-177.2-58.7162.4000108.7K4 L5 E8 K75 C84 L85 V87K4-I77 HydrophobicContact CD-CG2 4.11Å; K4-I77 HydrophobicContact CG-CG2 4.04Å; L5-I77 HydrophobicContact CD2-CD1 3.87Å; E8-I77 HydrophobicContact CB-CD1 3.54Å; E8-I77 HydrophobicContact CB-CG1 4.01Å; E8-I77 HydrophobicContact CG-CD1 4.01Å; E8-I77 HydrophobicContact CG-CG1 4.08Å; E8-I77 HydrophobicContact CG-CG2 3.92Å; K75-I77 HydrophobicContact CB-CG1 4.44Å; K75-I77 HydrophobicContact CD-CG1 4.11Å; K75-I77 HydrophobicContact CG-CG1 4.09Å; I77-C84 CarbonylContact O-C 3.24Å; I77-C84 WeakPolarHBondContact O-CA 3.43Å; I77-L85 HydrophobicContact CB-CB 4.24Å; I77-L85 PolarHBondContact N-O 3.48Å; I77-L85 PolarHBondContact O-N 3.25Å; I77-V87 HydrophobicContact CD1-CG2 3.93Å
78E95Very high95.2Very high104 Ų10442.6 Ų42.649%0.48622%0.217SC..EExtended strand (participates in β ladder)trans-67.5138.2171.4-68.1176.7-131.700110K4 K49K4-E78 WeakPolarHBondContact CE-O 3.37Å; K4-E78 PolarHBondContact NZ-O 3.26Å; K49-E78 HydrophobicContact CD-CG 4.17Å; K49-E78 VanDerWaalsContact CD-OE1 3.3Å; K49-E78 WeakPolarHBondContact CD-OE1 3.38Å; K49-E78 WeakPolarHBondContact CE-OE1 3.39Å; K49-E78 IonicContact NZ-OE1 3.59Å; K49-E78 PolarHBondContact NZ-OE1 2.68Å
79L91Very high95.1Very high20 Ų2044.7 Ų44.711%0.10523%0.226CC..  trans-79.3160.4175.2-68.5175.1000110.4M1 T81 G83 L85M1-L79 HydrophobicContact CE-CD1 4.47Å; M1-L79 HydrophobicContact CG-CD2 4.29Å; L79-T81 CarbonylContact C-O 3.57Å; L79-T81 VanDerWaalsContact C-O 3.28Å; L79-T81 WeakPolarHBondContact CB-O 2.96Å; L79-T81 PolarHBondContact O-N 3.32Å; L79-T81 VanDerWaalsContact O-O 3.12Å; L79-G83 PolarHBondContact N-O 3.46Å; L79-L85 HydrophobicContact CD1-CD2 4.22Å; L79-L85 HydrophobicContact CD2-CD1 3.78Å; L79-L85 HydrophobicContact CD2-CD2 3.95Å; L79-L85 HydrophobicContact CD2-CG 3.7Å; L79-L85 HydrophobicContact CG-CD2 4.3Å; L79-L85 HydrophobicContact CG-CG 4.16Å
80D87.5Confident95Very high143 Ų14343.3 Ų43.377%0.76522%0.221SC*.SBendtrans-71.5-21.9171.9-54.9-39.9000111.1K4K4-D80 IonicContact NZ-OD1 2.7Å; K4-D80 PolarHBondContact NZ-OD1 2.86Å
81T84.4Confident94.9Very high99 Ų9944.3 Ų44.361%0.60723%0.226SC*.SBendtrans-94.2176.9166.259.20000110.1L79 G83L79-T81 CarbonylContact C-O 3.57Å; L79-T81 VanDerWaalsContact C-O 3.28Å; L79-T81 WeakPolarHBondContact CB-O 2.96Å; L79-T81 PolarHBondContact O-N 3.32Å; L79-T81 VanDerWaalsContact O-O 3.12Å; T81-G83 PolarHBondContact O-N 3.46Å
82E88.1Confident94.7Very high118 Ų11849.8 Ų49.855%0.55126%0.255SS*.SBendtrans-56.5138.2170.6-163.3176.8176.500111.3S46S46-E82 VanDerWaalsContact CA-OE1 3.3Å; S46-E82 WeakPolarHBondContact CA-OE1 3.44Å; S46-E82 WeakPolarHBondContact CB-OE1 3.46Å; S46-E82 PolarHBondContact N-OE1 3.23Å; S46-E82 PolarHBondContact OG-OE1 2.84Å
83G92.3Very high94.6Very high10 Ų1048.2 Ų48.210%0.10325%0.25CS..  trans114.8177.117800000115.9N43 L79 T81N43-G83 CarbonylContact O-C 3.57Å; N43-G83 WeakPolarHBondContact O-CA 3.36Å; L79-G83 PolarHBondContact N-O 3.46Å; T81-G83 PolarHBondContact O-N 3.46Å
84C95.7Very high94.4Very high5 Ų553.7 Ų53.73%0.03427%0.268CS..EExtended strand (participates in β ladder)trans-140.3160.7-179.3-69.40000111N43 A48 F52 V76 I77N43-C84 PolarHBondContact N-O 3.42Å; N43-C84 PolarHBondContact O-N 2.99Å; A48-C84 HydrophobicContact CB-CB 3.94Å; F52-C84 HydrophobicContact CD2-CB 3.66Å; F52-C84 HydrophobicContact CE2-CB 4.09Å; F52-C84 WeakPolarHBondContact CE2-O 3.48Å; V76-C84 HydrophobicContact CG1-CB 4.4Å; I77-C84 CarbonylContact O-C 3.24Å; I77-C84 WeakPolarHBondContact O-CA 3.43Å
85L95.9Very high94.3Very high0 Ų054.9 Ų54.90%028%0.283CS..EExtended strand (participates in β ladder)trans-113.1145167.3-47.6174.9000108.5M1 L5 V40 K41 I42 V76 I77 L79M1-L85 HydrophobicContact CE-CD2 3.99Å; M1-L85 HydrophobicContact CG-CD1 3.88Å; M1-L85 HydrophobicContact CG-CD2 4.13Å; M1-L85 HydrophobicContact SD-CD2 4.04Å; L5-L85 HydrophobicContact CD1-CD1 4.02Å; L5-L85 HydrophobicContact CD2-CD1 3.62Å; L5-L85 HydrophobicContact CG-CD1 3.58Å; V40-L85 HydrophobicContact CG1-CB 4.13Å; V40-L85 HydrophobicContact CG1-CD2 4.47Å; K41-L85 CarbonylContact O-C 3.55Å; K41-L85 WeakPolarHBondContact O-CA 3.27Å; I42-L85 HydrophobicContact CB-CD2 4.1Å; I42-L85 HydrophobicContact CG1-CD2 3.83Å; I42-L85 HydrophobicContact CG2-CD2 3.76Å; V76-L85 CarbonylContact C-O 3.28Å; V76-L85 WeakPolarHBondContact CA-O 3.23Å; I77-L85 HydrophobicContact CB-CB 4.24Å; I77-L85 PolarHBondContact N-O 3.48Å; I77-L85 PolarHBondContact O-N 3.25Å; L79-L85 HydrophobicContact CD1-CD2 4.22Å; L79-L85 HydrophobicContact CD2-CD1 3.78Å; L79-L85 HydrophobicContact CD2-CD2 3.95Å; L79-L85 HydrophobicContact CD2-CG 3.7Å; L79-L85 HydrophobicContact CG-CD2 4.3Å; L79-L85 HydrophobicContact CG-CG 4.16Å
86F97.3Very high94.3Very high0 Ų052.5 Ų52.50%027%0.274CS..EExtended strand (participates in β ladder)trans-124.9114.5168.8-178.7-150.6000110.3V40 K41 F52 E55 M56 L59 P73 V76 M88V40-F86 CarbonylContact C-O 3.54Å; V40-F86 WeakPolarHBondContact CA-O 3.37Å; K41-F86 HydrophobicContact CB-CB 4.28Å; K41-F86 HydrophobicContact CD-CD1 4.45Å; K41-F86 PolarHBondContact N-O 3.09Å; K41-F86 PolarHBondContact O-N 2.77Å; F52-F86 HydrophobicContact CB-CB 3.9Å; F52-F86 HydrophobicContact CB-CD1 4.47Å; F52-F86 HydrophobicContact CB-CG 4.21Å; F52-F86 HydrophobicContact CD1-CB 3.52Å; F52-F86 AromaticContact CD1-CD1 3.86Å; F52-F86 HydrophobicContact CD1-CD1 3.86Å; F52-F86 HydrophobicContact CD1-CG 4.07Å; F52-F86 HydrophobicContact CD2-CB 3.89Å; F52-F86 HydrophobicContact CE1-CB 3.91Å; F52-F86 HydrophobicContact CE1-CD1 4.49Å; F52-F86 HydrophobicContact CE2-CB 4.26Å; F52-F86 HydrophobicContact CG-CB 3.52Å; F52-F86 HydrophobicContact CG-CD1 4.41Å; F52-F86 HydrophobicContact CG-CG 4.22Å; F52-F86 HydrophobicContact CZ-CB 4.27Å; E55-F86 HydrophobicContact CB-CD1 4.43Å; E55-F86 HydrophobicContact CB-CE1 3.98Å; E55-F86 HydrophobicContact CG-CD1 4.43Å; E55-F86 HydrophobicContact CG-CE1 3.81Å; M56-F86 HydrophobicContact CB-CE2 3.74Å; M56-F86 HydrophobicContact CB-CZ 3.74Å; M56-F86 HydrophobicContact CG-CE2 4.12Å; M56-F86 HydrophobicContact CG-CZ 4.39Å; M56-F86 HydrophobicContact SD-CE2 4.3Å; L59-F86 HydrophobicContact CD1-CE1 3.82Å; L59-F86 HydrophobicContact CD1-CZ 3.76Å; P73-F86 HydrophobicContact CB-CE2 3.92Å; P73-F86 HydrophobicContact CB-CZ 3.76Å; V76-F86 HydrophobicContact CG2-CD2 3.76Å; V76-F86 HydrophobicContact CG2-CE2 4.26Å; V76-F86 HydrophobicContact CG2-CG 4.34Å; F86-M88 HydrophobicContact CD1-CE 3.25Å; F86-M88 HydrophobicContact CE1-CE 3.23Å; F86-M88 HydrophobicContact CG-CE 3.93Å; F86-M88 HydrophobicContact CZ-CE 3.9Å
87V97.7Very high94Very high0 Ų057.3 Ų57.30%030%0.299CS..EExtended strand (participates in β ladder)trans-98.3133.4-177.6-169.60000109.6L5 L9 V38 F39 V40 L74 K75 I77L5-V87 HydrophobicContact CD2-CG2 3.8Å; L9-V87 HydrophobicContact CD1-CG1 4.14Å; L9-V87 HydrophobicContact CD2-CB 4.36Å; L9-V87 HydrophobicContact CD2-CG1 3.95Å; L9-V87 HydrophobicContact CD2-CG2 4.31Å; V38-V87 HydrophobicContact CB-CG1 3.94Å; V38-V87 HydrophobicContact CG1-CG1 4.29Å; V38-V87 HydrophobicContact CG2-CG1 4.17Å; F39-V87 WeakPolarHBondContact O-CA 3.36Å; V40-V87 HydrophobicContact CG1-CG2 4.36Å; V40-V87 HydrophobicContact CG2-CG1 4.21Å; V40-V87 HydrophobicContact CG2-CG2 4.15Å; L74-V87 WeakPolarHBondContact CA-O 3.19Å; L74-V87 HydrophobicContact CB-CB 4.29Å; L74-V87 HydrophobicContact CB-CG1 4.24Å; L74-V87 WeakPolarHBondContact CB-O 3.37Å; L74-V87 HydrophobicContact CD2-CG1 4.27Å; L74-V87 PolarHBondContact N-O 3.44Å; K75-V87 PolarHBondContact N-O 3.02Å; K75-V87 VanDerWaalsContact N-O 3.14Å; K75-V87 PolarHBondContact O-N 2.97Å; I77-V87 HydrophobicContact CD1-CG2 3.93Å
88M97.8Very high94Very high4 Ų464 Ų642%0.0233%0.328CS..EExtended strand (participates in β ladder)trans-146.8171.4177.665-170.374.900111.6F39 K41 P71 K72 F86 H90F39-M88 HydrophobicContact CB-CG 4.08Å; F39-M88 HydrophobicContact CD1-CG 3.98Å; F39-M88 HydrophobicContact CD1-SD 4.01Å; F39-M88 PolarHBondContact N-O 3.15Å; F39-M88 PolarHBondContact O-N 3.15Å; K41-M88 HydrophobicContact CD-CE 3.96Å; K41-M88 HydrophobicContact CG-CE 4.16Å; P71-M88 HydrophobicContact CB-CB 4.39Å; P71-M88 HydrophobicContact CB-CG 4.23Å; P71-M88 HydrophobicContact CB-SD 3.9Å; P71-M88 HydrophobicContact CG-SD 4.31Å; K72-M88 CarbonylContact O-C 3.58Å; K72-M88 VanDerWaalsContact O-CA 3.3Å; K72-M88 WeakPolarHBondContact O-CA 3.01Å; K72-M88 WeakPolarHBondContact O-CB 3.47Å; F86-M88 HydrophobicContact CD1-CE 3.25Å; F86-M88 HydrophobicContact CE1-CE 3.23Å; F86-M88 HydrophobicContact CG-CE 3.93Å; F86-M88 HydrophobicContact CZ-CE 3.9Å; M88-H90 PolarHBondContact O-N 3.14Å
89E96.4Very high94.2Very high53 Ų5360.5 Ų60.525%0.24831%0.311CS..EExtended strand (participates in β ladder)trans-54.9132.1171.9178.3176.8-14400110.8K72 L91K72-E89 HydrophobicContact CB-CB 4.02Å; K72-E89 VanDerWaalsContact CG-OE2 3.32Å; K72-E89 WeakPolarHBondContact CG-OE2 3.32Å; K72-E89 PolarHBondContact N-OE2 3.14Å; K72-E89 VanDerWaalsContact N-OE2 3.13Å; K72-E89 IonicContact NZ-OE1 3.57Å; K72-E89 PolarHBondContact O-N 3.31Å; E89-L91 HydrophobicContact CG-CD2 3.86Å; E89-L91 HydrophobicContact CG-CG 4.28Å
90H96.1Very high94.5Very high32 Ų3259.7 Ų59.715%0.14831%0.307CS..  trans-77.3132167.4175.788.2000109.9S30 R37 F39 M88 D92S30-H90 WeakPolarHBondContact CB-ND1 3.36Å; S30-H90 PolarHBondContact OG-CE1 3.02Å; S30-H90 PolarHBondContact OG-ND1 3.14Å; R37-H90 HydrophobicContact CB-CB 4.06Å; R37-H90 WeakPolarHBondContact CD-CD2 3.2Å; R37-H90 HydrophobicContact CG-CB 3.61Å; F39-H90 HydrophobicContact CB-CB 4.45Å; M88-H90 PolarHBondContact O-N 3.14Å; H90-D92 IonicContact CD2-OD1 2.64Å; H90-D92 IonicContact CE1-OD1 3.69Å; H90-D92 IonicContact NE2-OD1 3.04Å; H90-D92 PolarHBondContact NE2-OD1 2.99Å
91L95.3Very high95Very high24 Ų2458.2 Ų58.213%0.12629%0.294CS..  trans-122.6134.8174.9-63.4178.6000110.3P71 E89 M93 V231P71-L91 HydrophobicContact CB-CD1 4.22Å; P71-L91 HydrophobicContact CG-CD1 4.02Å; E89-L91 HydrophobicContact CG-CD2 3.86Å; E89-L91 HydrophobicContact CG-CG 4.28Å; L91-M93 HydrophobicContact CB-CE 3.73Å; L91-M93 HydrophobicContact CB-CG 3.97Å; L91-M93 HydrophobicContact CD1-CE 3.85Å; L91-M93 HydrophobicContact CG-CE 4.3Å; L91-M93 PolarHBondContact O-N 3.16Å; L91-M93 VanDerWaalsContact O-N 3.08Å; L91-V231 HydrophobicContact CD1-CG2 3.73Å
92D94.4Very high95.7Very high119 Ų11956.3 Ų56.364%0.63628%0.278SS*.  trans-80.591.4173-64.1-42.8000109.3H90H90-D92 IonicContact CD2-OD1 2.64Å; H90-D92 IonicContact CE1-OD1 3.69Å; H90-D92 IonicContact NE2-OD1 3.04Å; H90-D92 PolarHBondContact NE2-OD1 2.99Å
93M95.1Very high96.2Very high75 Ų7550.7 Ų50.737%0.36925%0.251SS..  trans-95.1145.7-174.2-62.4-174.2-168.800112.3P71 L91 A224 V231 F233P71-M93 HydrophobicContact CG-CE 4.13Å; L91-M93 HydrophobicContact CB-CE 3.73Å; L91-M93 HydrophobicContact CB-CG 3.97Å; L91-M93 HydrophobicContact CD1-CE 3.85Å; L91-M93 HydrophobicContact CG-CE 4.3Å; L91-M93 PolarHBondContact O-N 3.16Å; L91-M93 VanDerWaalsContact O-N 3.08Å; M93-A224 HydrophobicContact CB-CB 3.86Å; M93-A224 HydrophobicContact CG-CB 4.14Å; M93-A224 HydrophobicContact SD-CB 3.92Å; M93-V231 HydrophobicContact CE-CG1 4.25Å; M93-V231 HydrophobicContact CE-CG2 4.3Å; M93-V231 HydrophobicContact CG-CG1 4.16Å; M93-V231 HydrophobicContact SD-CG1 4.14Å; M93-F233 HydrophobicContact CE-CD1 3.97Å; M93-F233 HydrophobicContact CE-CE1 4.47Å; M93-F233 HydrophobicContact CE-CG 4.38Å; M93-F233 HydrophobicContact SD-CD1 3.84Å; M93-F233 HydrophobicContact SD-CE1 3.73Å; M93-F233 HydrophobicContact SD-CZ 4.4Å
94R94.8Very high96.5Very high134 Ų13450.2 Ų50.251%0.50625%0.246SC..BIsolated β-bridgetrans-130.6163.9163.463.2-176.9170.8-143-16.4109.8L96 A224 E225R94-L96 PolarHBondContact O-N 3.35Å; R94-A224 WeakPolarHBondContact O-CA 3.4Å; R94-A224 WeakPolarHBondContact O-CB 3.47Å; R94-E225 HydrophobicContact CG-CG 3.55Å; R94-E225 WeakPolarHBondContact CG-O 3.48Å; R94-E225 IonicContact CZ-OE1 3.37Å; R94-E225 PolarHBondContact N-O 3.46Å; R94-E225 IonicContact NE-OE1 3.59Å; R94-E225 PolarHBondContact NE-OE1 3.15Å; R94-E225 IonicContact NH2-OE1 2.9Å; R94-E225 PolarHBondContact O-N 3.09Å
95S94.9Very high96.6Very high107 Ų10753 Ų5375%0.74826%0.259SS*.  trans-54.9135.3177.7-54.80000111.5N97S95-N97 PolarHBondContact O-N 3.01Å
96L95.9Very high96.8Very high28 Ų2854.9 Ų54.915%0.14727%0.268CS..SBendtrans-58.3125.2178.5-178.970.1000110.6R94 L103 V223 E225 P230R94-L96 PolarHBondContact O-N 3.35Å; L96-L103 HydrophobicContact CD1-CD2 4.45Å; L96-L103 HydrophobicContact CD2-CD2 3.43Å; L96-L103 VanDerWaalsContact CD2-CD2 3.43Å; L96-V223 HydrophobicContact CD2-CG2 4.2Å; L96-E225 HydrophobicContact CD1-CB 4.22Å; L96-P230 HydrophobicContact CD1-CB 3.94Å
97N92.9Very high96.9Very high123 Ų12355 Ų5566%0.65827%0.268SS*.  trans-147.9-70.2175.5-174.9-14.9000110.7S95 Y99 S100 E225S95-N97 PolarHBondContact O-N 3.01Å; N97-Y99 PolarHBondContact O-N 3.36Å; N97-S100 PolarHBondContact O-N 3.47Å; N97-E225 PolarHBondContact N-OE2 2.93Å
98K96.2Very high96.9Very high147 Ų14755 Ų5564%0.63927%0.268SS*.THydrogen-bonded Turntrans-59.7-36.2-175.3-179.1-174.6173.3-162.70111.8E225K98-E225 PolarHBondContact N-OE2 3Å
99Y98Very high97Very high29 Ų2956.6 Ų56.611%0.11428%0.277CS..THydrogen-bonded Turntrans-100.716.9-171.6-61.2-68.7000114.3N97 K101 Q102 L103 E225 A227N97-Y99 PolarHBondContact O-N 3.36Å; Y99-K101 PolarHBondContact O-N 2.92Å; Y99-Q102 PolarHBondContact O-N 3.31Å; Y99-L103 PolarHBondContact O-N 3.24Å; Y99-E225 HydrophobicContact CD2-CB 3.74Å; Y99-E225 HydrophobicContact CD2-CG 4.26Å; Y99-E225 WeakPolarHBondContact CD2-OE2 3.19Å; Y99-E225 PolarHBondContact N-OE2 3.34Å; Y99-E225 VanDerWaalsContact N-OE2 3.17Å; Y99-A227 PolarHBondContact OH-O 3.45Å
100S97.8Very high97.1Very high3 Ų354 Ų542%0.02127%0.265CS..Hα-helixtrans-58.9-44.4-178.3-171.80000113.1N97 L103 G104 N256N97-S100 PolarHBondContact O-N 3.47Å; S100-L103 PolarHBondContact O-N 3.38Å; S100-G104 PolarHBondContact O-N 3.2Å; S100-N256 WeakPolarHBondContact CB-ND2 3.32Å; S100-N256 PolarHBondContact OG-ND2 2.67Å; S100-N256 PolarHBondContact OG-OD1 3.05Å
101K98.5Very high97.2Very high113 Ų11352.9 Ų52.949%0.49126%0.26SS..Hα-helixtrans-59.7-48.9174-170.9-170174.4-1720111.8Y99 L103 G104 E105 A262Y99-K101 PolarHBondContact O-N 2.92Å; K101-L103 VanDerWaalsContact C-N 3.27Å; K101-L103 PolarHBondContact O-N 3.3Å; K101-G104 PolarHBondContact O-N 3.26Å; K101-E105 VanDerWaalsContact CE-OE1 3.24Å; K101-E105 WeakPolarHBondContact CE-OE1 3.32Å; K101-E105 IonicContact NZ-OE1 3.76Å; K101-E105 PolarHBondContact O-N 3.04Å; K101-E105 VanDerWaalsContact O-N 3.13Å; K101-A262 HydrophobicContact CG-CB 3.65Å
102Q98.8Very high97.4Very high58 Ų5853.2 Ų53.227%0.27126%0.262SS..Hα-helixtrans-60.4-37.6179.9-179.3178.6-18.500111.6Y99 G104 E105 Q106 P230Y99-Q102 PolarHBondContact O-N 3.31Å; Q102-G104 VanDerWaalsContact C-N 3.32Å; Q102-G104 PolarHBondContact O-N 2.99Å; Q102-E105 PolarHBondContact O-N 2.96Å; Q102-Q106 HydrophobicContact CG-CG 4.28Å; Q102-Q106 WeakPolarHBondContact O-CB 3.47Å; Q102-Q106 WeakPolarHBondContact O-CG 3.42Å; Q102-Q106 PolarHBondContact O-N 2.64Å; Q102-P230 HydrophobicContact CB-CG 4.45Å; Q102-P230 HydrophobicContact CG-CG 4.17Å
103L98.7Very high97.6Very high0 Ų049.1 Ų49.10%024%0.238CC..Hα-helixtrans-62-40.7175.2-179.460000111.4V68 L96 Y99 S100 K101 E105 Q106 L107 V223 P230 I232 F255 F259V68-L103 HydrophobicContact CG2-CD1 4.04Å; L96-L103 HydrophobicContact CD1-CD2 4.45Å; L96-L103 HydrophobicContact CD2-CD2 3.43Å; L96-L103 VanDerWaalsContact CD2-CD2 3.43Å; Y99-L103 PolarHBondContact O-N 3.24Å; S100-L103 PolarHBondContact O-N 3.38Å; K101-L103 VanDerWaalsContact C-N 3.27Å; K101-L103 PolarHBondContact O-N 3.3Å; L103-E105 PolarHBondContact O-N 2.7Å; L103-Q106 PolarHBondContact O-N 2.77Å; L103-L107 VanDerWaalsContact O-CB 3.27Å; L103-L107 WeakPolarHBondContact O-CB 3.25Å; L103-L107 PolarHBondContact O-N 3.32Å; L103-V223 HydrophobicContact CD2-CB 4.32Å; L103-V223 HydrophobicContact CD2-CG1 4.14Å; L103-P230 HydrophobicContact CB-CB 3.75Å; L103-P230 HydrophobicContact CB-CG 3.92Å; L103-P230 HydrophobicContact CD1-CB 4.05Å; L103-P230 HydrophobicContact CD1-CG 4.29Å; L103-P230 HydrophobicContact CG-CB 4.32Å; L103-I232 HydrophobicContact CD1-CG2 3.62Å; L103-F255 HydrophobicContact CD2-CE1 3.9Å; L103-F259 HydrophobicContact CB-CD2 4.15Å; L103-F259 HydrophobicContact CB-CE2 4.47Å; L103-F259 HydrophobicContact CD2-CD2 4.23Å; L103-F259 HydrophobicContact CD2-CE2 4.18Å; L103-F259 HydrophobicContact CG-CD2 4Å; L103-F259 HydrophobicContact CG-CE2 3.86Å
104G98.6Very high97.7Very high0 Ų045.8 Ų45.80%022%0.222CC..Hα-helixtrans-61.1-44.417600000112.1S100 K101 Q102 A108 F259S100-G104 PolarHBondContact O-N 3.2Å; K101-G104 PolarHBondContact O-N 3.26Å; Q102-G104 VanDerWaalsContact C-N 3.32Å; Q102-G104 PolarHBondContact O-N 2.99Å; G104-A108 WeakPolarHBondContact O-CB 3.46Å; G104-A108 PolarHBondContact O-N 2.98Å; G104-A108 VanDerWaalsContact O-N 3.1Å; G104-F259 VanDerWaalsContact CA-CD2 3.41Å; G104-F259 VanDerWaalsContact N-CD2 3.31Å
105E98.8Very high97.8Very high65 Ų6543.1 Ų43.130%0.30421%0.214SC..Hα-helixtrans-63.3-43.1176.8-64.1174.9172.400112.4K101 Q102 L103 D109 A262 K266K101-E105 VanDerWaalsContact CE-OE1 3.24Å; K101-E105 WeakPolarHBondContact CE-OE1 3.32Å; K101-E105 IonicContact NZ-OE1 3.76Å; K101-E105 PolarHBondContact O-N 3.04Å; K101-E105 VanDerWaalsContact O-N 3.13Å; Q102-E105 PolarHBondContact O-N 2.96Å; L103-E105 PolarHBondContact O-N 2.7Å; E105-D109 PolarHBondContact O-N 3.14Å; E105-D109 VanDerWaalsContact O-N 3.12Å; E105-A262 HydrophobicContact CG-CB 3.77Å; E105-K266 PolarHBondContact O-NZ 3.02Å
106Q98.8Very high97.9Very high39 Ų3942.6 Ų42.618%0.18220%0.196CC..Hα-helixtrans-73.7-37.4-178.2-73.3-176.1-13.100112.4T67 V68 Q102 L103 D109 L110T67-Q106 WeakPolarHBondContact O-CG 3.38Å; V68-Q106 HydrophobicContact CB-CB 4.08Å; V68-Q106 HydrophobicContact CG2-CB 4.3Å; Q102-Q106 HydrophobicContact CG-CG 4.28Å; Q102-Q106 WeakPolarHBondContact O-CB 3.47Å; Q102-Q106 WeakPolarHBondContact O-CG 3.42Å; Q102-Q106 PolarHBondContact O-N 2.64Å; L103-Q106 PolarHBondContact O-N 2.77Å; Q106-D109 WeakPolarHBondContact O-CB 3.5Å; Q106-D109 PolarHBondContact O-N 3.34Å; Q106-L110 PolarHBondContact O-N 3.3Å
107L98.8Very high97.8Very high1 Ų142.5 Ų42.51%0.00520%0.195CC..Hα-helixtrans-65.9-40.6175.1-174.669000111.3L103 D109 L110 H111 L218 E245 F259 Y263L103-L107 VanDerWaalsContact O-CB 3.27Å; L103-L107 WeakPolarHBondContact O-CB 3.25Å; L103-L107 PolarHBondContact O-N 3.32Å; L107-D109 VanDerWaalsContact C-N 3.28Å; L107-D109 PolarHBondContact O-N 3.26Å; L107-L110 HydrophobicContact CD1-CD2 4.13Å; L107-L110 WeakPolarHBondContact O-CB 3.41Å; L107-L110 PolarHBondContact O-N 2.83Å; L107-H111 PolarHBondContact O-N 3.48Å; L107-L218 HydrophobicContact CD1-CD2 3.81Å; L107-L218 HydrophobicContact CD2-CD2 3.52Å; L107-L218 HydrophobicContact CG-CD2 4.3Å; L107-E245 HydrophobicContact CD2-CG 4.32Å; L107-F259 HydrophobicContact CB-CE2 4.48Å; L107-F259 HydrophobicContact CD2-CE2 3.93Å; L107-F259 HydrophobicContact CD2-CZ 3.53Å; L107-Y263 HydrophobicContact CB-CD2 4.24Å; L107-Y263 HydrophobicContact CB-CE2 4.47Å; L107-Y263 HydrophobicContact CD2-CD2 4.14Å; L107-Y263 HydrophobicContact CD2-CE2 4.12Å; L107-Y263 HydrophobicContact CG-CD2 4.23Å; L107-Y263 HydrophobicContact CG-CE2 4.07Å
108A98.8Very high97.9Very high0 Ų037.9 Ų37.90%017%0.17CC..Hα-helixtrans-62.8-36.9172.300000111.9G104 H111 L112 Y263 K266 I267G104-A108 WeakPolarHBondContact O-CB 3.46Å; G104-A108 PolarHBondContact O-N 2.98Å; G104-A108 VanDerWaalsContact O-N 3.1Å; A108-H111 PolarHBondContact O-N 2.86Å; A108-L112 WeakPolarHBondContact O-CB 3.43Å; A108-L112 VanDerWaalsContact O-CG 3.3Å; A108-L112 WeakPolarHBondContact O-CG 3.42Å; A108-L112 PolarHBondContact O-N 2.88Å; A108-Y263 HydrophobicContact CB-CD2 3.71Å; A108-Y263 HydrophobicContact CB-CE2 4.01Å; A108-Y263 HydrophobicContact CB-CG 4.23Å; A108-K266 HydrophobicContact CB-CB 3.73Å; A108-K266 HydrophobicContact CB-CD 3.88Å; A108-K266 HydrophobicContact CB-CG 4.38Å; A108-I267 HydrophobicContact CB-CD1 3.97Å; A108-I267 HydrophobicContact CB-CG1 4.15Å
109D98.9Very high97.8Very high38 Ų3835 Ų3520%0.20316%0.158CC..Hα-helixtrans-66.7-36.9173.7-77-32.6000113.1T67 E105 Q106 L107 L112 H113 R116 K266T67-D109 HydrophobicContact CG2-CB 4.1Å; E105-D109 PolarHBondContact O-N 3.14Å; E105-D109 VanDerWaalsContact O-N 3.12Å; Q106-D109 WeakPolarHBondContact O-CB 3.5Å; Q106-D109 PolarHBondContact O-N 3.34Å; L107-D109 VanDerWaalsContact C-N 3.28Å; L107-D109 PolarHBondContact O-N 3.26Å; D109-L112 PolarHBondContact O-N 3.38Å; D109-H113 PolarHBondContact O-N 3.38Å; D109-R116 IonicContact OD1-CZ 3.94Å; D109-R116 IonicContact OD1-NH1 3.9Å; D109-R116 PolarHBondContact OD1-NH1 3.41Å; D109-R116 IonicContact OD1-NH2 2.85Å; D109-R116 PolarHBondContact OD1-NH2 3Å; D109-K266 IonicContact OD1-NZ 3.24Å; D109-K266 PolarHBondContact OD1-NZ 3.4Å; D109-K266 IonicContact OD2-NZ 2.64Å; D109-K266 PolarHBondContact OD2-NZ 2.9Å
110L98.8Very high97.5Very high0 Ų038.9 Ų38.90%018%0.176CC..Hα-helixtrans-58.3-50.7171.4-179.367.6000110.3I62 T65 T67 V68 Q106 L107 L112 H113 L213I62-L110 HydrophobicContact CG2-CD1 4.15Å; T65-L110 HydrophobicContact CG2-CD1 3.85Å; T65-L110 WeakPolarHBondContact OG1-CD1 3.36Å; T67-L110 WeakPolarHBondContact OG1-CB 3.37Å; T67-L110 WeakPolarHBondContact OG1-CD1 3.4Å; V68-L110 HydrophobicContact CG1-CD2 4.19Å; Q106-L110 PolarHBondContact O-N 3.3Å; L107-L110 HydrophobicContact CD1-CD2 4.13Å; L107-L110 WeakPolarHBondContact O-CB 3.41Å; L107-L110 PolarHBondContact O-N 2.83Å; L110-L112 VanDerWaalsContact C-N 3.35Å; L110-L112 PolarHBondContact O-N 2.98Å; L110-H113 WeakPolarHBondContact O-CB 3.32Å; L110-H113 PolarHBondContact O-N 2.9Å; L110-H113 VanDerWaalsContact O-N 3.14Å; L110-L213 HydrophobicContact CD1-CD2 3.94Å; L110-L213 HydrophobicContact CD1-CG 4.35Å
111H98.8Very high97Very high7 Ų741.8 Ų41.83%0.03219%0.189CC..Hα-helixtrans-67.7-33.4-178.3-67.8176.7000113L107 A108 H113 A212 L213 Y263 I267L107-H111 PolarHBondContact O-N 3.48Å; A108-H111 PolarHBondContact O-N 2.86Å; H111-H113 VanDerWaalsContact C-N 3.32Å; H111-A212 HydrophobicContact CB-CB 4.04Å; H111-A212 WeakPolarHBondContact O-CB 3.39Å; H111-L213 PolarHBondContact CD2-O 3.23Å; H111-L213 VanDerWaalsContact CD2-O 3.24Å; H111-Y263 AromaticContact ND1-CE2 3.49Å; H111-Y263 WeakPolarHBondContact ND1-CE2 3.38Å; H111-Y263 AromaticContact ND1-CZ 3.58Å; H111-Y263 PolarHBondContact ND1-OH 3.42Å; H111-I267 HydrophobicContact CB-CD1 3.83Å
112L98.6Very high96.4Very high32 Ų3240.1 Ų40.117%0.16819%0.186CC..Hα-helixtrans-79.4-12.2175.1-72.1169.6000113.4A108 D109 L110 N114 K115 R116 K266 I267A108-L112 WeakPolarHBondContact O-CB 3.43Å; A108-L112 VanDerWaalsContact O-CG 3.3Å; A108-L112 WeakPolarHBondContact O-CG 3.42Å; A108-L112 PolarHBondContact O-N 2.88Å; D109-L112 PolarHBondContact O-N 3.38Å; L110-L112 VanDerWaalsContact C-N 3.35Å; L110-L112 PolarHBondContact O-N 2.98Å; L112-N114 PolarHBondContact O-N 3.42Å; L112-K115 HydrophobicContact CD2-CD 4.36Å; L112-K115 PolarHBondContact O-N 2.9Å; L112-R116 WeakPolarHBondContact O-CB 3.34Å; L112-R116 WeakPolarHBondContact O-CD 3.39Å; L112-R116 VanDerWaalsContact O-CG 3.25Å; L112-R116 WeakPolarHBondContact O-CG 3.23Å; L112-R116 PolarHBondContact O-N 3.24Å; L112-K266 HydrophobicContact CD1-CB 4.29Å; L112-I267 HydrophobicContact CD1-CD1 4.38Å; L112-I267 HydrophobicContact CD1-CG1 3.92Å; L112-I267 HydrophobicContact CD2-CD1 4.39Å; L112-I267 HydrophobicContact CD2-CG1 4.14Å; L112-I267 HydrophobicContact CG-CD1 3.92Å; L112-I267 HydrophobicContact CG-CG1 3.88Å
113H98.4Very high95.8Very high32 Ų3244 Ų4415%0.14820%0.202CC..Hα-helixtrans-54.7-54.8-174-175.394000111.3D109 L110 H111 R116 Q117D109-H113 PolarHBondContact O-N 3.38Å; L110-H113 WeakPolarHBondContact O-CB 3.32Å; L110-H113 PolarHBondContact O-N 2.9Å; L110-H113 VanDerWaalsContact O-N 3.14Å; H111-H113 VanDerWaalsContact C-N 3.32Å; H113-R116 WeakPolarHBondContact O-CB 3.45Å; H113-R116 PolarHBondContact O-N 3.48Å; H113-Q117 PolarHBondContact NE2-NE2 3.22Å; H113-Q117 WeakPolarHBondContact O-CG 3.35Å; H113-Q117 PolarHBondContact O-N 3.03Å; H113-Q117 VanDerWaalsContact O-N 3.12Å
114N97.9Very high95Very high5 Ų549 Ų493%0.02722%0.224CC..Hα-helixtrans-65.4-42.7-176.7-173.350.9000112.6L112 R116 Q117 L118 V140 P211 Y239L112-N114 PolarHBondContact O-N 3.42Å; N114-R116 VanDerWaalsContact C-N 3.3Å; N114-R116 PolarHBondContact O-N 3.1Å; N114-Q117 WeakPolarHBondContact O-CA 3.23Å; N114-Q117 WeakPolarHBondContact O-CB 3.4Å; N114-Q117 PolarHBondContact O-N 2.81Å; N114-L118 PolarHBondContact O-N 2.86Å; N114-V140 PolarHBondContact ND2-O 2.94Å; N114-V140 PolarHBondContact OD1-N 3.48Å; N114-P211 WeakPolarHBondContact CB-O 3.35Å; N114-P211 PolarHBondContact ND2-O 3.24Å; N114-Y239 HydrophobicContact CB-CE1 4.19Å
115K97.1Very high93.9Very high78 Ų7855.5 Ų55.534%0.33925%0.254SS..Hα-helixtrans-54.9-46.1174-178.8172.6178.7168.90111.7L112 Q117 L118 E119 V210L112-K115 HydrophobicContact CD2-CD 4.36Å; L112-K115 PolarHBondContact O-N 2.9Å; K115-Q117 VanDerWaalsContact C-N 3.27Å; K115-Q117 PolarHBondContact O-N 3Å; K115-L118 PolarHBondContact O-N 3.27Å; K115-E119 WeakPolarHBondContact CE-OE1 3.21Å; K115-E119 WeakPolarHBondContact O-CG 3.48Å; K115-E119 PolarHBondContact O-N 2.78Å; K115-V210 HydrophobicContact CB-CG1 4.06Å; K115-V210 HydrophobicContact CG-CG1 4.39Å
116R96.6Very high92.8Very high97 Ų9760 Ų6037%0.36628%0.275SS..Hα-helixtrans-62.9-32.5177-68.9165178.9165.1-0.3112.1D109 L112 H113 N114 K120D109-R116 IonicContact OD1-CZ 3.94Å; D109-R116 IonicContact OD1-NH1 3.9Å; D109-R116 PolarHBondContact OD1-NH1 3.41Å; D109-R116 IonicContact OD1-NH2 2.85Å; D109-R116 PolarHBondContact OD1-NH2 3Å; L112-R116 WeakPolarHBondContact O-CB 3.34Å; L112-R116 WeakPolarHBondContact O-CD 3.39Å; L112-R116 VanDerWaalsContact O-CG 3.25Å; L112-R116 WeakPolarHBondContact O-CG 3.23Å; L112-R116 PolarHBondContact O-N 3.24Å; H113-R116 WeakPolarHBondContact O-CB 3.45Å; H113-R116 PolarHBondContact O-N 3.48Å; N114-R116 VanDerWaalsContact C-N 3.3Å; N114-R116 PolarHBondContact O-N 3.1Å; R116-K120 WeakPolarHBondContact O-CD 3.48Å; R116-K120 WeakPolarHBondContact O-CG 3.47Å; R116-K120 PolarHBondContact O-N 2.89Å
117Q94.9Very high91.5Very high25 Ų2562.6 Ų62.612%0.11729%0.293CS..Hα-helixtrans-71.5-45.3175.1-60.3-59-3.300111.9H113 N114 K115 E119 K120 Q121 P139H113-Q117 PolarHBondContact NE2-NE2 3.22Å; H113-Q117 WeakPolarHBondContact O-CG 3.35Å; H113-Q117 PolarHBondContact O-N 3.03Å; H113-Q117 VanDerWaalsContact O-N 3.12Å; N114-Q117 WeakPolarHBondContact O-CA 3.23Å; N114-Q117 WeakPolarHBondContact O-CB 3.4Å; N114-Q117 PolarHBondContact O-N 2.81Å; K115-Q117 VanDerWaalsContact C-N 3.27Å; K115-Q117 PolarHBondContact O-N 3Å; Q117-E119 VanDerWaalsContact C-N 3.34Å; Q117-E119 PolarHBondContact O-N 2.99Å; Q117-K120 WeakPolarHBondContact O-CB 3.4Å; Q117-K120 PolarHBondContact O-N 2.94Å; Q117-K120 VanDerWaalsContact O-N 3.17Å; Q117-Q121 PolarHBondContact O-N 2.82Å; Q117-P139 HydrophobicContact CB-CB 3.87Å
118L94.3Very high89.4Confident27 Ų2770 Ų7014%0.14134%0.338CS..Hα-helixtrans-56.2-47.6174.8-72.9164.4000111.3N114 K115 K120 Q121 N122 P139 E141 V210N114-L118 PolarHBondContact O-N 2.86Å; K115-L118 PolarHBondContact O-N 3.27Å; L118-K120 VanDerWaalsContact C-N 3.33Å; L118-K120 PolarHBondContact O-N 3.29Å; L118-Q121 PolarHBondContact O-N 2.81Å; L118-N122 VanDerWaalsContact O-CG 3.32Å; L118-N122 PolarHBondContact O-N 3.2Å; L118-P139 HydrophobicContact CD2-CB 3.68Å; L118-P139 HydrophobicContact CD2-CG 4.32Å; L118-P139 HydrophobicContact CG-CB 3.8Å; L118-E141 HydrophobicContact CD2-CG 3.79Å; L118-V210 HydrophobicContact CD1-CG1 3.96Å
119E94Very high87.5Confident85 Ų8573 Ų7340%0.39737%0.369SS..Hα-helixtrans-61.1-39.4177.3-72.2172.3-177.800112.7K115 Q117 K123K115-E119 WeakPolarHBondContact CE-OE1 3.21Å; K115-E119 WeakPolarHBondContact O-CG 3.48Å; K115-E119 PolarHBondContact O-N 2.78Å; Q117-E119 VanDerWaalsContact C-N 3.34Å; Q117-E119 PolarHBondContact O-N 2.99Å; E119-K123 WeakPolarHBondContact O-CG 3.49Å; E119-K123 PolarHBondContact O-N 3.37Å; E119-K123 VanDerWaalsContact O-N 3.07Å
120K91Very high85.1Confident111 Ų11181 Ų8148%0.48340%0.402SS..Hα-helixtrans-66.1-41.9175.5-75.9170.3-174.2175.70111.7R116 Q117 L118 K123 K124R116-K120 WeakPolarHBondContact O-CD 3.48Å; R116-K120 WeakPolarHBondContact O-CG 3.47Å; R116-K120 PolarHBondContact O-N 2.89Å; Q117-K120 WeakPolarHBondContact O-CB 3.4Å; Q117-K120 PolarHBondContact O-N 2.94Å; Q117-K120 VanDerWaalsContact O-N 3.17Å; L118-K120 VanDerWaalsContact C-N 3.33Å; L118-K120 PolarHBondContact O-N 3.29Å; K120-K123 PolarHBondContact O-N 3.14Å; K120-K124 WeakPolarHBondContact O-CG 3.38Å; K120-K124 PolarHBondContact O-N 3.28Å
121Q88.4Confident82.9Confident65 Ų6584.5 Ų84.530%0.30444%0.438SS..Hα-helixtrans-62.9-46.6177.7-171.3-171.817.100110.8Q117 L118 K123 K124 Q125 P139Q117-Q121 PolarHBondContact O-N 2.82Å; L118-Q121 PolarHBondContact O-N 2.81Å; Q121-K123 PolarHBondContact O-N 2.95Å; Q121-K124 PolarHBondContact O-N 3.48Å; Q121-Q125 WeakPolarHBondContact O-CG 3.43Å; Q121-Q125 PolarHBondContact O-N 2.87Å; Q121-P139 HydrophobicContact CB-CG 4.26Å; Q121-P139 HydrophobicContact CG-CG 4.45Å
122N86Confident80.6Confident78 Ų7888.6 Ų88.642%0.41747%0.473SS..Hα-helixtrans-60-43.5177.6-71.1-14.7000112L118 K124 Q125 Q126L118-N122 VanDerWaalsContact O-CG 3.32Å; L118-N122 PolarHBondContact O-N 3.2Å; N122-K124 PolarHBondContact O-N 3.45Å; N122-Q125 PolarHBondContact O-N 3.36Å; N122-Q126 WeakPolarHBondContact O-CG 3.46Å; N122-Q126 PolarHBondContact O-N 3.15Å
123K85.7Confident78.4Confident140 Ų14089.2 Ų89.261%0.60949%0.488SS*.Hα-helixtrans-62.7-41.6175.4-74.3175.8-177.1176.40112.6E119 K120 Q121 Q126 T127E119-K123 WeakPolarHBondContact O-CG 3.49Å; E119-K123 PolarHBondContact O-N 3.37Å; E119-K123 VanDerWaalsContact O-N 3.07Å; K120-K123 PolarHBondContact O-N 3.14Å; Q121-K123 PolarHBondContact O-N 2.95Å; K123-Q126 PolarHBondContact O-N 3.34Å; K123-T127 PolarHBondContact O-N 3.01Å; K123-T127 PolarHBondContact O-OG1 3.15Å
124K81.2Confident76.1Confident104 Ų10496.7 Ų96.745%0.45252%0.522SS..Hα-helixtrans-63.2-41.4177.2-75.8177.9179.2179.40111.9K120 Q121 N122 Q126 T127 G133K120-K124 WeakPolarHBondContact O-CG 3.38Å; K120-K124 PolarHBondContact O-N 3.28Å; Q121-K124 PolarHBondContact O-N 3.48Å; N122-K124 PolarHBondContact O-N 3.45Å; K124-Q126 PolarHBondContact O-N 2.91Å; K124-T127 PolarHBondContact O-N 2.93Å; K124-T127 PolarHBondContact O-OG1 3.22Å; K124-T127 VanDerWaalsContact O-OG1 3.11Å; K124-G133 PolarHBondContact NZ-O 3.48Å
125Q76.3Confident74.1Confident136 Ų13698.9 Ų98.964%0.63654%0.536SS*.Hα-helixtrans-64.2-28.7177-71178.16.100112.6Q121 N122Q121-Q125 WeakPolarHBondContact O-CG 3.43Å; Q121-Q125 PolarHBondContact O-N 2.87Å; N122-Q125 PolarHBondContact O-N 3.36Å
126Q75.1Confident72.5Confident161 Ų161102.3 Ų102.375%0.75255%0.553SS**Hα-helixtrans-82.6-13.3177.8-69.4176-000114N122 K123 K124N122-Q126 WeakPolarHBondContact O-CG 3.46Å; N122-Q126 PolarHBondContact O-N 3.15Å; K123-Q126 PolarHBondContact O-N 3.34Å; K124-Q126 PolarHBondContact O-N 2.91Å
127T72.3Confident71.6Confident92 Ų9299.3 Ų99.356%0.56454%0.544SS*.SBendtrans-104.7108.1178.252.50000111.5K123 K124 G129K123-T127 PolarHBondContact O-N 3.01Å; K123-T127 PolarHBondContact O-OG1 3.15Å; K124-T127 PolarHBondContact O-N 2.93Å; K124-T127 PolarHBondContact O-OG1 3.22Å; K124-T127 VanDerWaalsContact O-OG1 3.11Å; T127-G129 PolarHBondContact O-N 2.9Å; T127-G129 VanDerWaalsContact O-N 3.17Å
128V54.3Low71.2Confident157 Ų157104.6 Ų104.695%0.95257%0.573SS**SBendtrans-71.5108.3172.5-178.10000109
129G59.3Low71.1Confident63 Ų63104.4 Ų104.465%0.64957%0.573SS**SBendtrans99.583.4169.900000115T127T127-G129 PolarHBondContact O-N 2.9Å; T127-G129 VanDerWaalsContact O-N 3.17Å
130K48.9Very low71.2Confident206 Ų206101.6 Ų101.690%0.89656%0.562SS**  trans-172.1138139.9-104.5166.3-173.9-1770109.9
131G50.8Low71.5Confident73 Ų73102.8 Ų102.875%0.75357%0.569SS**  trans-54.4160.8-161.800000117.3G133G131-G133 VanDerWaalsContact C-N 3.32Å; G131-G133 PolarHBondContact O-N 3.32Å
132A51.7Low72Confident93 Ų93104.8 Ų104.877%0.76958%0.577SS**  trans-61.185.6177.400000111.3H134A132-H134 PolarHBondContact O-N 3.45Å
133G53Low72.6Confident46 Ų46101.5 Ų101.547%0.47456%0.559SS.*  trans-66.5111.6159.100000108K124 G131 T135K124-G133 PolarHBondContact NZ-O 3.48Å; G131-G133 VanDerWaalsContact C-N 3.32Å; G131-G133 PolarHBondContact O-N 3.32Å; G133-T135 PolarHBondContact O-N 2.97Å
134H49.5Very low73.2Confident188 Ų18894.8 Ų94.887%0.8753%0.53SS*.  trans-57116.4176.3-73.9-78.4000110.1A132A132-H134 PolarHBondContact O-N 3.45Å
135T55Low74Confident51 Ų5190.2 Ų90.231%0.31351%0.51SS..  trans-80131.7157.530.10000107.4G133 M137G133-T135 PolarHBondContact O-N 2.97Å; T135-M137 PolarHBondContact O-N 3.2Å
136E64.2Low75Confident151 Ų15189.8 Ų89.871%0.70651%0.512SS*.SBendtrans-62.6-20.7179.5-84174.2156.900112.7K66K66-E136 VanDerWaalsContact NZ-CD 3.27Å; K66-E136 IonicContact NZ-OE1 3.91Å; K66-E136 PolarHBondContact NZ-OE1 3.21Å; K66-E136 IonicContact NZ-OE2 2.8Å; K66-E136 PolarHBondContact NZ-OE2 2.86Å
137M77Confident76Confident34 Ų3484.7 Ų84.717%0.16749%0.492CS..SBendtrans-134.8135.7175.5-66.8-179.271.600110.4T61 K64 T135T61-M137 HydrophobicContact CG2-CE 3.86Å; K64-M137 HydrophobicContact CB-CG 4.23Å; K64-M137 HydrophobicContact CB-SD 3.42Å; K64-M137 WeakPolarHBondContact CB-SD 3.34Å; K64-M137 HydrophobicContact CD-CG 4.42Å; K64-M137 HydrophobicContact CD-SD 4.16Å; K64-M137 HydrophobicContact CG-SD 4.4Å; T135-M137 PolarHBondContact O-N 3.2Å
138D86.1Confident77.2Confident135 Ų13583.1 Ų83.172%0.72248%0.48SS*.  trans-72.2140.4169.5-69.3-36.4000109.9
139P93.1Very high79.3Confident24 Ų2475.7 Ų75.716%0.15644%0.435CS..  trans-66.2146.8177.426.1-31.9000111.6Q117 L118 Q121Q117-P139 HydrophobicContact CB-CB 3.87Å; L118-P139 HydrophobicContact CD2-CB 3.68Å; L118-P139 HydrophobicContact CD2-CG 4.32Å; L118-P139 HydrophobicContact CG-CB 3.8Å; Q121-P139 HydrophobicContact CB-CG 4.26Å; Q121-P139 HydrophobicContact CG-CG 4.45Å
140V96.4Very high81Confident25 Ų2573.4 Ų73.415%0.15241%0.408CS..  trans-104.9120.3-176.7179.30000110N114 K142 W160 Y239N114-V140 PolarHBondContact ND2-O 2.94Å; N114-V140 PolarHBondContact OD1-N 3.48Å; V140-K142 VanDerWaalsContact CG1-O 3.28Å; V140-K142 WeakPolarHBondContact CG1-O 3.36Å; V140-W160 HydrophobicContact CG1-CE3 4.5Å; V140-W160 HydrophobicContact CG1-CH2 3.69Å; V140-W160 HydrophobicContact CG1-CZ3 3.5Å; V140-Y239 HydrophobicContact CB-CD1 3.98Å; V140-Y239 HydrophobicContact CB-CE1 3.92Å; V140-Y239 HydrophobicContact CB-CG 4.32Å; V140-Y239 HydrophobicContact CG1-CD1 4.05Å; V140-Y239 HydrophobicContact CG1-CD2 4.14Å; V140-Y239 HydrophobicContact CG1-CE1 4.4Å; V140-Y239 HydrophobicContact CG1-CE2 4.49Å; V140-Y239 HydrophobicContact CG1-CG 3.9Å; V140-Y239 HydrophobicContact CG2-CD1 4.31Å; V140-Y239 HydrophobicContact CG2-CD2 4.39Å; V140-Y239 HydrophobicContact CG2-CE1 3.83Å; V140-Y239 HydrophobicContact CG2-CE2 3.93Å
141E96.9Very high83.2Confident136 Ų13663.6 Ų63.664%0.63637%0.366SS*.  trans-95.6-9.1-178.5-64.9-179.8178.600113.7L118L118-E141 HydrophobicContact CD2-CG 3.79Å
142K98.3Very high85Confident108 Ų10861.1 Ų61.147%0.4734%0.341SS..SBendtrans-118.8164.1-173.8-66.6-176.2-175.4178.60111.8V140 W160 Q161 P211V140-K142 VanDerWaalsContact CG1-O 3.28Å; V140-K142 WeakPolarHBondContact CG1-O 3.36Å; K142-W160 HydrophobicContact CB-CB 4.49Å; K142-W160 HydrophobicContact CB-CE3 3.78Å; K142-W160 HydrophobicContact CB-CZ3 4.45Å; K142-W160 HydrophobicContact CD-CB 4.27Å; K142-W160 WeakPolarHBondContact O-CZ3 3.38Å; K142-Q161 CarbonylContact C-O 3.24Å; K142-Q161 WeakPolarHBondContact CA-O 3.41Å; K142-Q161 WeakPolarHBondContact CB-O 3.39Å; K142-P211 WeakPolarHBondContact O-CB 3.4Å
143F98.8Very high86.7Confident8 Ų862.1 Ų62.14%0.03533%0.325CS..BIsolated β-bridgetrans-95.8139.2173.3-52.3-74.7000110.3W160 Q161 W164 F167 V209 P211 Y239F143-W160 CarbonylContact O-C 3.58Å; F143-W160 VanDerWaalsContact O-CA 3.29Å; F143-W160 WeakPolarHBondContact O-CA 3.48Å; F143-Q161 PolarHBondContact N-O 3.24Å; F143-Q161 PolarHBondContact O-N 3.18Å; F143-W164 HydrophobicContact CB-CE3 4.2Å; F143-W164 HydrophobicContact CD1-CB 4.46Å; F143-W164 HydrophobicContact CD1-CD2 4.44Å; F143-W164 AromaticContact CD1-CE3 3.59Å; F143-W164 HydrophobicContact CD1-CE3 3.59Å; F143-W164 HydrophobicContact CD1-CZ3 4.27Å; F143-W164 HydrophobicContact CD2-CB 3.96Å; F143-W164 HydrophobicContact CD2-CE3 4.5Å; F143-W164 HydrophobicContact CE1-CB 4.1Å; F143-W164 HydrophobicContact CE1-CE3 4.06Å; F143-W164 HydrophobicContact CE2-CB 3.59Å; F143-W164 VanDerWaalsContact CE2-N 3.31Å; F143-W164 HydrophobicContact CG-CB 4.39Å; F143-W164 AromaticContact CG-CE3 3.83Å; F143-W164 HydrophobicContact CG-CE3 3.83Å; F143-W164 HydrophobicContact CZ-CB 3.66Å; F143-F167 HydrophobicContact CB-CB 4.15Å; F143-F167 HydrophobicContact CB-CD1 4.15Å; F143-F167 HydrophobicContact CB-CD2 4.16Å; F143-F167 HydrophobicContact CB-CG 3.88Å; F143-V209 HydrophobicContact CE1-CG1 3.74Å; F143-V209 HydrophobicContact CZ-CB 4.32Å; F143-V209 HydrophobicContact CZ-CG1 3.83Å; F143-P211 HydrophobicContact CD1-CB 3.92Å; F143-P211 HydrophobicContact CD1-CG 3.89Å; F143-P211 HydrophobicContact CE1-CB 3.87Å; F143-P211 HydrophobicContact CE1-CG 3.55Å; F143-P211 HydrophobicContact CZ-CG 3.89Å; F143-Y239 VanDerWaalsContact CA-O 3.3Å; F143-Y239 WeakPolarHBondContact CA-O 3.29Å
144G98.6Very high88.7Confident0 Ų060.6 Ų60.60%031%0.306CS..BIsolated β-bridgetrans135.8-164.1-173.700000112.5N158 W160 Y239G144-N158 WeakPolarHBondContact CA-O 3.4Å; G144-W160 VanDerWaalsContact C-CZ3 3.46Å; G144-W160 WeakPolarHBondContact O-CZ3 3.48Å; G144-Y239 PolarHBondContact N-O 3.44Å; G144-Y239 PolarHBondContact O-N 3.27Å
145F98.5Very high90.9Very high7 Ų752.7 Ų52.73%0.03127%0.273CS..  trans-157.6153.6178.2-152.4-120.7000109.7S57 T61 V147 T149 N158 L213 F238 Y239S57-F145 WeakPolarHBondContact OG-CE1 3.49Å; T61-F145 HydrophobicContact CG2-CE2 4.16Å; T61-F145 HydrophobicContact CG2-CZ 4.34Å; F145-V147 HydrophobicContact CD1-CG2 3.92Å; F145-V147 WeakPolarHBondContact CD1-O 3.44Å; F145-V147 HydrophobicContact CE1-CG2 4.08Å; F145-V147 PolarHBondContact O-N 3.13Å; F145-T149 HydrophobicContact CD1-CG2 3.74Å; F145-T149 HydrophobicContact CE1-CG2 4.01Å; F145-N158 HydrophobicContact CB-CB 3.8Å; F145-N158 PolarHBondContact N-O 3.07Å; F145-L213 HydrophobicContact CE2-CD1 4Å; F145-F238 HydrophobicContact CB-CB 4.1Å; F145-Y239 HydrophobicContact CD2-CD2 4Å; F145-Y239 HydrophobicContact CD2-CE2 4.16Å; F145-Y239 HydrophobicContact CE2-CD2 4.39Å; F145-Y239 HydrophobicContact CE2-CE2 4.13Å
146D96.9Very high92.8Very high127 Ų12750.5 Ų50.568%0.67926%0.259SS*.SBendtrans-65.8-22.6-175.5-68.3-38.1000113.6W160D146-W160 VanDerWaalsContact OD1-CZ2 3.32Å; D146-W160 WeakPolarHBondContact OD1-CZ2 3.41Å; D146-W160 PolarHBondContact OD1-NE1 3.11Å
147V97Very high94.3Very high55 Ų5547.4 Ų47.433%0.33324%0.244SC..SBendtrans-130.8153.9175.5-590000110.4F145 T149 N158F145-V147 HydrophobicContact CD1-CG2 3.92Å; F145-V147 WeakPolarHBondContact CD1-O 3.44Å; F145-V147 HydrophobicContact CE1-CG2 4.08Å; F145-V147 PolarHBondContact O-N 3.13Å; V147-T149 PolarHBondContact O-N 2.97Å; V147-N158 PolarHBondContact O-ND2 2.84Å
148N96.8Very high95.3Very high59 Ų5945.9 Ų45.932%0.31624%0.236SC..  trans-68.1126.7167.6-72.9-19.1000109L50 Q156 N158L50-N148 HydrophobicContact CD1-CB 4.34Å; N148-Q156 WeakPolarHBondContact CB-O 3.39Å; N148-Q156 VanDerWaalsContact CG-O 3.3Å; N148-Q156 PolarHBondContact OD1-O 3.37Å; N148-N158 PolarHBondContact OD1-N 3.42Å; N148-N158 VanDerWaalsContact OD1-N 3.09Å
149T97.7Very high95.9Very high0 Ų044 Ų440%022%0.223CC..  trans-98.3171.4172.656.30000109.6S58 F145 V147 A155 Q156 N158 A236 S237S58-T149 WeakPolarHBondContact OG-CG2 3.49Å; F145-T149 HydrophobicContact CD1-CG2 3.74Å; F145-T149 HydrophobicContact CE1-CG2 4.01Å; V147-T149 PolarHBondContact O-N 2.97Å; T149-A155 CarbonylContact O-C 3.52Å; T149-Q156 PolarHBondContact O-N 2.95Å; T149-Q156 PolarHBondContact OG1-NE2 3.29Å; T149-Q156 VanDerWaalsContact OG1-NE2 3.08Å; T149-N158 PolarHBondContact N-ND2 2.95Å; T149-N158 VanDerWaalsContact N-ND2 3.14Å; T149-N158 PolarHBondContact OG1-ND2 2.9Å; T149-N158 VanDerWaalsContact OG1-ND2 3.13Å; T149-A236 PolarHBondContact OG1-O 3.49Å; T149-S237 WeakPolarHBondContact CG2-O 3.31Å; T149-S237 PolarHBondContact OG1-O 3.35Å
150C96.4Very high96.2Very high15 Ų1546.9 Ų46.910%0.10123%0.231CC..EExtended strand (participates in β ladder)trans-121.8132.3177.6-68.30000110.4M51 G152 I154 A236M51-C150 HydrophobicContact CB-CB 4.24Å; M51-C150 HydrophobicContact CG-CB 3.99Å; C150-G152 VanDerWaalsContact CB-O 3.3Å; C150-G152 WeakPolarHBondContact CB-O 3.41Å; C150-I154 CarbonylContact C-O 3.56Å; C150-I154 VanDerWaalsContact CA-O 3.27Å; C150-I154 WeakPolarHBondContact CA-O 3.49Å; C150-A236 WeakPolarHBondContact O-CB 2.88Å
151C93.9Very high96.3Very high0 Ų047.9 Ų47.90%023%0.234CC..EExtended strand (participates in β ladder)trans-100.7102.5169.1-177.70000107.8I154 Q156 A236 N287 H291C151-I154 PolarHBondContact N-O 3.43Å; C151-Q156 HydrophobicContact CB-CG 4.16Å; C151-A236 HydrophobicContact CB-CB 4.25Å; C151-N287 PolarHBondContact O-ND2 2.89Å; C151-N287 PolarHBondContact SG-ND2 2.86Å; C151-H291 PolarHBondContact O-NE2 2.92Å
152G88.7Confident96.3Very high22 Ų2245.9 Ų45.923%0.22724%0.235CC..THydrogen-bonded Turntrans66.5-134.2-15600000110.3I25 C150I25-G152 VanDerWaalsContact CD1-C 3.48Å; I25-G152 VanDerWaalsContact CD1-CA 3.44Å; C150-G152 VanDerWaalsContact CB-O 3.3Å; C150-G152 WeakPolarHBondContact CB-O 3.41Å
153Y87.6Confident96.3Very high114 Ų11444.1 Ų44.145%0.44723%0.231SC..THydrogen-bonded Turntrans-92.5-2.6175.462.7-105.4000114.2I25 N290 H291I25-Y153 HydrophobicContact CD1-CD1 4.06Å; I25-Y153 HydrophobicContact CG1-CD1 4.36Å; Y153-N290 PolarHBondContact OH-O 3.26Å; Y153-H291 AromaticContact CD1-CE1 3.5Å; Y153-H291 AromaticContact CD1-ND1 3.25Å; Y153-H291 WeakPolarHBondContact CD1-ND1 3.19Å; Y153-H291 AromaticContact CD2-CE1 3.69Å; Y153-H291 AromaticContact CD2-ND1 3.85Å; Y153-H291 HydrophobicContact CE1-CB 4.47Å; Y153-H291 AromaticContact CE1-CE1 3.61Å; Y153-H291 AromaticContact CE1-ND1 2.88Å; Y153-H291 WeakPolarHBondContact CE1-ND1 3.47Å; Y153-H291 AromaticContact CE2-CE1 3.74Å; Y153-H291 AromaticContact CE2-ND1 3.5Å; Y153-H291 AromaticContact CG-CE1 3.55Å; Y153-H291 AromaticContact CG-ND1 3.73Å; Y153-H291 AromaticContact CZ-CE1 3.7Å; Y153-H291 AromaticContact CZ-ND1 3Å; Y153-H291 PolarHBondContact N-CE1 3.3Å; Y153-H291 WeakPolarHBondContact OH-CA 3.49Å; Y153-H291 PolarHBondContact OH-ND1 2.84Å; Y153-H291 PolarHBondContact OH-O 2.84Å
154I94.4Very high96.3Very high14 Ų1444 Ų447%0.07223%0.23CC..EExtended strand (participates in β ladder)trans-86.6121.9-178.6-73.2169.1000108.1C150 C151 Y175 M179 N290 H291C150-I154 CarbonylContact C-O 3.56Å; C150-I154 VanDerWaalsContact CA-O 3.27Å; C150-I154 WeakPolarHBondContact CA-O 3.49Å; C151-I154 PolarHBondContact N-O 3.43Å; I154-Y175 HydrophobicContact CG2-CE1 3.97Å; I154-M179 HydrophobicContact CD1-CE 4.29Å; I154-M179 HydrophobicContact CD1-SD 4.48Å; I154-M179 HydrophobicContact CG2-CE 3.71Å; I154-M179 HydrophobicContact CG2-SD 4.15Å; I154-N290 HydrophobicContact CD1-CB 3.56Å; I154-H291 WeakPolarHBondContact CD1-NE2 3.29Å; I154-H291 WeakPolarHBondContact CG1-CE1 3.45Å; I154-H291 PolarHBondContact N-CE1 3.34Å
155A95.8Very high96.3Very high22 Ų2245.2 Ų45.218%0.18224%0.237CC..EExtended strand (participates in β ladder)trans-63.7134.2174.100000111.1L50 T149 Y175L50-A155 HydrophobicContact CD2-CB 3.62Å; T149-A155 CarbonylContact O-C 3.52Å; A155-Y175 WeakPolarHBondContact O-CE1 3.4Å
156Q96.3Very high96.2Very high4 Ų448.4 Ų48.42%0.01925%0.252CS..PPolyproline II helixtrans-91.9130.5169.9-62.1-172.295.100108.8N148 T149 C151 N158 A236N148-Q156 WeakPolarHBondContact CB-O 3.39Å; N148-Q156 VanDerWaalsContact CG-O 3.3Å; N148-Q156 PolarHBondContact OD1-O 3.37Å; T149-Q156 PolarHBondContact O-N 2.95Å; T149-Q156 PolarHBondContact OG1-NE2 3.29Å; T149-Q156 VanDerWaalsContact OG1-NE2 3.08Å; C151-Q156 HydrophobicContact CB-CG 4.16Å; Q156-N158 PolarHBondContact O-N 3.23Å; Q156-A236 PolarHBondContact NE2-O 3.33Å
157K95.9Very high96.3Very high87 Ų8742.4 Ų42.438%0.37822%0.22SC..PPolyproline II helixtrans-70.2120.8169.1-73.9-169.4178.3-172.30109.2E159 Q171 R172 Y175K157-E159 WeakPolarHBondContact CB-OE2 3.43Å; K157-Q171 VanDerWaalsContact C-OE1 3.29Å; K157-Q171 HydrophobicContact CB-CB 3.9Å; K157-Q171 HydrophobicContact CB-CG 4.19Å; K157-Q171 PolarHBondContact O-OE1 3.36Å; K157-Q171 VanDerWaalsContact O-OE1 3.05Å; K157-R172 PolarHBondContact O-NH1 3.19Å; K157-Y175 HydrophobicContact CD-CD2 4.08Å; K157-Y175 HydrophobicContact CD-CE2 4.48Å; K157-Y175 HydrophobicContact CD-CG 4.49Å; K157-Y175 HydrophobicContact CG-CD2 4.43Å
158N97.9Very high96.4Very high2 Ų239.8 Ų39.81%0.01120%0.204CC..  trans-120.618.8-173.6-79.6-21.1000112.9G144 F145 V147 N148 T149 Q156 W160 R172G144-N158 WeakPolarHBondContact CA-O 3.4Å; F145-N158 HydrophobicContact CB-CB 3.8Å; F145-N158 PolarHBondContact N-O 3.07Å; V147-N158 PolarHBondContact O-ND2 2.84Å; N148-N158 PolarHBondContact OD1-N 3.42Å; N148-N158 VanDerWaalsContact OD1-N 3.09Å; T149-N158 PolarHBondContact N-ND2 2.95Å; T149-N158 VanDerWaalsContact N-ND2 3.14Å; T149-N158 PolarHBondContact OG1-ND2 2.9Å; T149-N158 VanDerWaalsContact OG1-ND2 3.13Å; Q156-N158 PolarHBondContact O-N 3.23Å; N158-W160 PolarHBondContact O-N 2.63Å; N158-R172 PolarHBondContact OD1-NH2 2.96Å
159E98.3Very high96.5Very high96 Ų9637.7 Ų37.745%0.44920%0.195SC..  trans-58.1128.9178.9-62.985.9-179.200111.1K157 Q161 Q171K157-E159 WeakPolarHBondContact CB-OE2 3.43Å; E159-Q161 PolarHBondContact O-N 3.35Å; E159-Q171 PolarHBondContact O-NE2 3.31Å; E159-Q171 PolarHBondContact O-OE1 3.28Å; E159-Q171 PolarHBondContact OE2-OE1 3.35Å
160W98.4Very high96.5Very high84 Ų8441.9 Ų41.932%0.31821%0.214SC..  trans-58129.6-175.9-68.3111.2000113.1V140 K142 F143 G144 D146 N158 Y239V140-W160 HydrophobicContact CG1-CE3 4.5Å; V140-W160 HydrophobicContact CG1-CH2 3.69Å; V140-W160 HydrophobicContact CG1-CZ3 3.5Å; K142-W160 HydrophobicContact CB-CB 4.49Å; K142-W160 HydrophobicContact CB-CE3 3.78Å; K142-W160 HydrophobicContact CB-CZ3 4.45Å; K142-W160 HydrophobicContact CD-CB 4.27Å; K142-W160 WeakPolarHBondContact O-CZ3 3.38Å; F143-W160 CarbonylContact O-C 3.58Å; F143-W160 VanDerWaalsContact O-CA 3.29Å; F143-W160 WeakPolarHBondContact O-CA 3.48Å; G144-W160 VanDerWaalsContact C-CZ3 3.46Å; G144-W160 WeakPolarHBondContact O-CZ3 3.48Å; D146-W160 VanDerWaalsContact OD1-CZ2 3.32Å; D146-W160 WeakPolarHBondContact OD1-CZ2 3.41Å; D146-W160 PolarHBondContact OD1-NE1 3.11Å; N158-W160 PolarHBondContact O-N 2.63Å; W160-Y239 AromaticContact CH2-CD2 3.73Å; W160-Y239 HydrophobicContact CH2-CD2 3.73Å; W160-Y239 HydrophobicContact CH2-CE2 4.31Å; W160-Y239 HydrophobicContact CH2-CG 4.44Å; W160-Y239 HydrophobicContact CZ3-CD2 4.18Å; W160-Y239 HydrophobicContact CZ3-CG 4.49Å
161Q98.4Very high96.6Very high46 Ų4641.7 Ų41.722%0.21521%0.212CC..BIsolated β-bridgetrans-132.7143.5178.2-66.3-63.9-24.400110.9K142 F143 E159 F167 Q171K142-Q161 CarbonylContact C-O 3.24Å; K142-Q161 WeakPolarHBondContact CA-O 3.41Å; K142-Q161 WeakPolarHBondContact CB-O 3.39Å; F143-Q161 PolarHBondContact N-O 3.24Å; F143-Q161 PolarHBondContact O-N 3.18Å; E159-Q161 PolarHBondContact O-N 3.35Å; Q161-F167 HydrophobicContact CB-CB 3.94Å; Q161-F167 HydrophobicContact CB-CD2 4.05Å; Q161-F167 HydrophobicContact CB-CG 4.47Å; Q161-F167 HydrophobicContact CG-CB 4.19Å; Q161-F167 HydrophobicContact CG-CD2 3.9Å; Q161-Q171 VanDerWaalsContact CG-NE2 3.26Å
162S97.9Very high96.8Very high93 Ų9341.8 Ų41.865%0.6521%0.212SC*.SBendtrans-82.3-20.3175.451.20000113.5
163D98Very high97.2Very high71 Ų7140.7 Ų40.738%0.3820%0.201SC..  trans-110.5125.2-178.4-179.6-106.9000111.4V165 Q166 F167D163-V165 WeakPolarHBondContact OD1-CB 3.43Å; D163-V165 PolarHBondContact OD1-N 3.36Å; D163-Q166 HydrophobicContact CB-CB 4.06Å; D163-Q166 VanDerWaalsContact OD1-CB 3.28Å; D163-Q166 WeakPolarHBondContact OD1-CB 3.32Å; D163-Q166 PolarHBondContact OD1-N 3.04Å; D163-F167 WeakPolarHBondContact O-CB 3.36Å; D163-F167 PolarHBondContact O-N 3.31Å
164W98.4Very high97.7Very high6 Ų638.6 Ų38.62%0.02320%0.195CC..Hα-helixtrans-67.3-41.3-178.1170.8-112.2000112.1F143 Q166 F167 Y168 F204 V209 F238 H241 Y280F143-W164 HydrophobicContact CB-CE3 4.2Å; F143-W164 HydrophobicContact CD1-CB 4.46Å; F143-W164 HydrophobicContact CD1-CD2 4.44Å; F143-W164 AromaticContact CD1-CE3 3.59Å; F143-W164 HydrophobicContact CD1-CE3 3.59Å; F143-W164 HydrophobicContact CD1-CZ3 4.27Å; F143-W164 HydrophobicContact CD2-CB 3.96Å; F143-W164 HydrophobicContact CD2-CE3 4.5Å; F143-W164 HydrophobicContact CE1-CB 4.1Å; F143-W164 HydrophobicContact CE1-CE3 4.06Å; F143-W164 HydrophobicContact CE2-CB 3.59Å; F143-W164 VanDerWaalsContact CE2-N 3.31Å; F143-W164 HydrophobicContact CG-CB 4.39Å; F143-W164 AromaticContact CG-CE3 3.83Å; F143-W164 HydrophobicContact CG-CE3 3.83Å; F143-W164 HydrophobicContact CZ-CB 3.66Å; W164-Q166 VanDerWaalsContact C-N 3.34Å; W164-Q166 PolarHBondContact O-N 3.46Å; W164-F167 AromaticContact CE3-CD1 3.99Å; W164-F167 HydrophobicContact CE3-CD1 3.99Å; W164-F167 AromaticContact CZ3-CD1 3.65Å; W164-F167 HydrophobicContact CZ3-CD1 3.65Å; W164-F167 HydrophobicContact CZ3-CE1 4.06Å; W164-F167 PolarHBondContact O-N 3.25Å; W164-Y168 AromaticContact CH2-CD2 3.93Å; W164-Y168 HydrophobicContact CH2-CD2 3.93Å; W164-Y168 HydrophobicContact CH2-CG 4.45Å; W164-Y168 AromaticContact CZ2-CD2 3.76Å; W164-Y168 HydrophobicContact CZ2-CD2 3.76Å; W164-Y168 AromaticContact CZ2-CG 3.99Å; W164-Y168 HydrophobicContact CZ2-CG 3.99Å; W164-Y168 VanDerWaalsContact O-CB 3.29Å; W164-Y168 WeakPolarHBondContact O-CB 3.17Å; W164-Y168 PolarHBondContact O-N 3.21Å; W164-F204 AromaticContact CD1-CD1 3.88Å; W164-F204 AromaticContact CD1-CE1 3.57Å; W164-F204 AromaticContact NE1-CE1 3.32Å; W164-F204 VanDerWaalsContact NE1-CE1 3.32Å; W164-F204 AromaticContact NE1-CZ 3.53Å; W164-V209 HydrophobicContact CB-CB 4.17Å; W164-V209 HydrophobicContact CB-CG1 3.89Å; W164-V209 HydrophobicContact CD2-CG1 4.17Å; W164-V209 HydrophobicContact CG-CB 4.3Å; W164-V209 HydrophobicContact CG-CG1 3.71Å; W164-V209 HydrophobicContact CG-CG2 4.35Å; W164-F238 HydrophobicContact CH2-CE2 4.03Å; W164-F238 HydrophobicContact CZ3-CE2 4.07Å; W164-H241 HydrophobicContact CD2-CB 3.97Å; W164-H241 HydrophobicContact CH2-CB 4.05Å; W164-H241 VanDerWaalsContact CH2-N 3.29Å; W164-H241 HydrophobicContact CZ2-CB 3.42Å; W164-H241 VanDerWaalsContact CZ2-CB 3.42Å; W164-Y280 AromaticContact CZ2-CE1 3.64Å; W164-Y280 HydrophobicContact CZ2-CE1 3.64Å; W164-Y280 AromaticContact CZ2-CZ 3.9Å; W164-Y280 WeakPolarHBondContact CZ2-OH 3.46Å; W164-Y280 PolarHBondContact NE1-OH 2.98Å
165V98.2Very high97.9Very high25 Ų2540.6 Ų40.615%0.15220%0.202CC..Hα-helixtrans-64.9-42.9-175.8172.70000110.2D163 S169 I200 P201 F204D163-V165 WeakPolarHBondContact OD1-CB 3.43Å; D163-V165 PolarHBondContact OD1-N 3.36Å; V165-S169 WeakPolarHBondContact O-CB 3.46Å; V165-S169 PolarHBondContact O-N 3Å; V165-S169 PolarHBondContact O-OG 2.99Å; V165-I200 HydrophobicContact CG1-CG2 3.96Å; V165-P201 HydrophobicContact CG1-CB 4.41Å; V165-P201 HydrophobicContact CG1-CG 4.05Å; V165-F204 HydrophobicContact CG2-CB 3.85Å; V165-F204 HydrophobicContact CG2-CD2 3.71Å; V165-F204 HydrophobicContact CG2-CE2 4.48Å; V165-F204 HydrophobicContact CG2-CG 3.82Å
166Q98.1Very high98Very high75 Ų7539.7 Ų39.735%0.3519%0.194SC..Hα-helixtrans-62.4-51.3173.6-175.2-179.1-11.400111.2D163 W164 Y168 S169 Q170D163-Q166 HydrophobicContact CB-CB 4.06Å; D163-Q166 VanDerWaalsContact OD1-CB 3.28Å; D163-Q166 WeakPolarHBondContact OD1-CB 3.32Å; D163-Q166 PolarHBondContact OD1-N 3.04Å; W164-Q166 VanDerWaalsContact C-N 3.34Å; W164-Q166 PolarHBondContact O-N 3.46Å; Q166-Y168 PolarHBondContact O-N 3.18Å; Q166-S169 PolarHBondContact O-N 3.22Å; Q166-Q170 HydrophobicContact CG-CG 4.46Å; Q166-Q170 WeakPolarHBondContact O-CB 3.29Å; Q166-Q170 WeakPolarHBondContact O-CG 3.16Å; Q166-Q170 PolarHBondContact O-N 3.49Å
167F98.7Very high98.1Very high0 Ų039.9 Ų39.90%020%0.196CC..Hα-helixtrans-54.6-52.6178.5-180-94.4000111.3F143 Q161 D163 W164 Q171 R172 F238F143-F167 HydrophobicContact CB-CB 4.15Å; F143-F167 HydrophobicContact CB-CD1 4.15Å; F143-F167 HydrophobicContact CB-CD2 4.16Å; F143-F167 HydrophobicContact CB-CG 3.88Å; Q161-F167 HydrophobicContact CB-CB 3.94Å; Q161-F167 HydrophobicContact CB-CD2 4.05Å; Q161-F167 HydrophobicContact CB-CG 4.47Å; Q161-F167 HydrophobicContact CG-CB 4.19Å; Q161-F167 HydrophobicContact CG-CD2 3.9Å; D163-F167 WeakPolarHBondContact O-CB 3.36Å; D163-F167 PolarHBondContact O-N 3.31Å; W164-F167 AromaticContact CE3-CD1 3.99Å; W164-F167 HydrophobicContact CE3-CD1 3.99Å; W164-F167 AromaticContact CZ3-CD1 3.65Å; W164-F167 HydrophobicContact CZ3-CD1 3.65Å; W164-F167 HydrophobicContact CZ3-CE1 4.06Å; W164-F167 PolarHBondContact O-N 3.25Å; F167-Q171 HydrophobicContact CD2-CB 4.44Å; F167-Q171 HydrophobicContact CD2-CG 4.47Å; F167-Q171 HydrophobicContact CE2-CB 4.4Å; F167-Q171 VanDerWaalsContact CE2-OE1 3.29Å; F167-Q171 WeakPolarHBondContact O-CA 3.29Å; F167-Q171 VanDerWaalsContact O-CB 3.29Å; F167-Q171 WeakPolarHBondContact O-CB 3.28Å; F167-Q171 PolarHBondContact O-N 3.12Å; F167-R172 HydrophobicContact CE1-CG 4.48Å; F167-F238 AromaticContact CE1-CD2 3.74Å; F167-F238 HydrophobicContact CE1-CD2 3.74Å; F167-F238 AromaticContact CE1-CE2 3.84Å; F167-F238 HydrophobicContact CE1-CE2 3.84Å; F167-F238 HydrophobicContact CZ-CD2 4.06Å
168Y98.6Very high98.2Very high0 Ų040 Ų400%020%0.2CC..Hα-helixtrans-68.6-41.6-176.1-172.8-104.5000112.3W164 Q166 R172 L173 F244 L279 Y280 F283W164-Y168 AromaticContact CH2-CD2 3.93Å; W164-Y168 HydrophobicContact CH2-CD2 3.93Å; W164-Y168 HydrophobicContact CH2-CG 4.45Å; W164-Y168 AromaticContact CZ2-CD2 3.76Å; W164-Y168 HydrophobicContact CZ2-CD2 3.76Å; W164-Y168 AromaticContact CZ2-CG 3.99Å; W164-Y168 HydrophobicContact CZ2-CG 3.99Å; W164-Y168 VanDerWaalsContact O-CB 3.29Å; W164-Y168 WeakPolarHBondContact O-CB 3.17Å; W164-Y168 PolarHBondContact O-N 3.21Å; Q166-Y168 PolarHBondContact O-N 3.18Å; Y168-R172 HydrophobicContact CD2-CB 3.87Å; Y168-R172 HydrophobicContact CD2-CG 3.82Å; Y168-R172 HydrophobicContact CE2-CB 3.91Å; Y168-R172 HydrophobicContact CE2-CG 4.12Å; Y168-R172 VanDerWaalsContact O-CB 3.26Å; Y168-R172 WeakPolarHBondContact O-CB 3.47Å; Y168-R172 PolarHBondContact O-N 3.42Å; Y168-L173 HydrophobicContact CD1-CD1 4.16Å; Y168-L173 HydrophobicContact CD1-CG 4.38Å; Y168-L173 HydrophobicContact CE1-CD1 3.53Å; Y168-L173 HydrophobicContact CE1-CD2 4.37Å; Y168-L173 HydrophobicContact CE1-CG 3.75Å; Y168-L173 PolarHBondContact O-N 3.07Å; Y168-L173 VanDerWaalsContact O-N 3.07Å; Y168-F244 AromaticContact CE2-CD2 3.83Å; Y168-F244 HydrophobicContact CE2-CD2 3.83Å; Y168-F244 AromaticContact CE2-CE2 3.88Å; Y168-F244 HydrophobicContact CE2-CE2 3.88Å; Y168-L279 HydrophobicContact CE1-CD1 4.39Å; Y168-L279 HydrophobicContact CE1-CD2 4.12Å; Y168-L279 HydrophobicContact CE1-CG 3.86Å; Y168-L279 PolarHBondContact OH-O 3.37Å; Y168-Y280 HydrophobicContact CD1-CE1 4.25Å; Y168-Y280 HydrophobicContact CD2-CD1 4.33Å; Y168-Y280 HydrophobicContact CD2-CE1 4.01Å; Y168-Y280 HydrophobicContact CE1-CD1 4.02Å; Y168-Y280 AromaticContact CE1-CE1 3.99Å; Y168-Y280 HydrophobicContact CE1-CE1 3.99Å; Y168-Y280 AromaticContact CE2-CD1 3.61Å; Y168-Y280 HydrophobicContact CE2-CD1 3.61Å; Y168-Y280 AromaticContact CE2-CE1 3.75Å; Y168-Y280 HydrophobicContact CE2-CE1 3.75Å; Y168-Y280 HydrophobicContact CG-CE1 4.28Å; Y168-Y280 AromaticContact CZ-CD1 3.44Å; Y168-Y280 VanDerWaalsContact CZ-CD1 3.44Å; Y168-Y280 AromaticContact CZ-CE1 3.75Å; Y168-Y280 WeakPolarHBondContact OH-CA 3.46Å; Y168-Y280 WeakPolarHBondContact OH-CD1 3.46Å; Y168-F283 WeakPolarHBondContact OH-CB 3.1Å
169S98.3Very high98.1Very high16 Ų1641.8 Ų41.811%0.11221%0.209CC..Iπ-helixtrans-66.5-45.5-179.8-570000111.8V165 Q166 E174V165-S169 WeakPolarHBondContact O-CB 3.46Å; V165-S169 PolarHBondContact O-N 3Å; V165-S169 PolarHBondContact O-OG 2.99Å; Q166-S169 PolarHBondContact O-N 3.22Å; S169-E174 WeakPolarHBondContact O-CB 3.25Å; S169-E174 PolarHBondContact O-N 3.17Å
170Q97.6Very high98Very high88 Ų8837.2 Ų37.241%0.41119%0.188SC..Iπ-helixtrans-87.1-48.5-172.8-63.8176.5-3.900112.7Q166 Y175Q166-Q170 HydrophobicContact CG-CG 4.46Å; Q166-Q170 WeakPolarHBondContact O-CB 3.29Å; Q166-Q170 WeakPolarHBondContact O-CG 3.16Å; Q166-Q170 PolarHBondContact O-N 3.49Å; Q170-Y175 PolarHBondContact O-N 2.98Å
171Q98.3Very high97.9Very high11 Ų1136.1 Ų36.15%0.05119%0.186CC..Iπ-helixtrans-91.7-8.1-172-59.2-172.533.400113.7K157 E159 Q161 F167K157-Q171 VanDerWaalsContact C-OE1 3.29Å; K157-Q171 HydrophobicContact CB-CB 3.9Å; K157-Q171 HydrophobicContact CB-CG 4.19Å; K157-Q171 PolarHBondContact O-OE1 3.36Å; K157-Q171 VanDerWaalsContact O-OE1 3.05Å; E159-Q171 PolarHBondContact O-NE2 3.31Å; E159-Q171 PolarHBondContact O-OE1 3.28Å; E159-Q171 PolarHBondContact OE2-OE1 3.35Å; Q161-Q171 VanDerWaalsContact CG-NE2 3.26Å; F167-Q171 HydrophobicContact CD2-CB 4.44Å; F167-Q171 HydrophobicContact CD2-CG 4.47Å; F167-Q171 HydrophobicContact CE2-CB 4.4Å; F167-Q171 VanDerWaalsContact CE2-OE1 3.29Å; F167-Q171 WeakPolarHBondContact O-CA 3.29Å; F167-Q171 VanDerWaalsContact O-CB 3.29Å; F167-Q171 WeakPolarHBondContact O-CB 3.28Å; F167-Q171 PolarHBondContact O-N 3.12Å
172R98.3Very high97.7Very high1 Ų143 Ų430%0.00422%0.215CC..Iπ-helixtrans-113.1-71.2171.4-60.6-72.9178.2-81.56.3111.2K157 N158 F167 Y168 Q176 F238 F283K157-R172 PolarHBondContact O-NH1 3.19Å; N158-R172 PolarHBondContact OD1-NH2 2.96Å; F167-R172 HydrophobicContact CE1-CG 4.48Å; Y168-R172 HydrophobicContact CD2-CB 3.87Å; Y168-R172 HydrophobicContact CD2-CG 3.82Å; Y168-R172 HydrophobicContact CE2-CB 3.91Å; Y168-R172 HydrophobicContact CE2-CG 4.12Å; Y168-R172 VanDerWaalsContact O-CB 3.26Å; Y168-R172 WeakPolarHBondContact O-CB 3.47Å; Y168-R172 PolarHBondContact O-N 3.42Å; R172-Q176 VanDerWaalsContact O-CG 3.3Å; R172-Q176 WeakPolarHBondContact O-CG 3.18Å; R172-Q176 PolarHBondContact O-N 2.94Å; R172-F238 VanDerWaalsContact NH2-CD1 3.29Å; R172-F238 VanDerWaalsContact NH2-CD2 3.32Å; R172-F283 HydrophobicContact CB-CD2 3.69Å; R172-F283 HydrophobicContact CB-CE2 3.87Å; R172-F283 HydrophobicContact CG-CD2 4.45Å; R172-F283 HydrophobicContact CG-CE2 4.32Å
173L98.6Very high97.6Very high0 Ų042.5 Ų42.50%021%0.212CC..Iπ-helixtrans-70.7-52-169.8-69.1-179000113.6Y168 Y175 Q176 L177 W193 I200 L279 L282 F283 L286Y168-L173 HydrophobicContact CD1-CD1 4.16Å; Y168-L173 HydrophobicContact CD1-CG 4.38Å; Y168-L173 HydrophobicContact CE1-CD1 3.53Å; Y168-L173 HydrophobicContact CE1-CD2 4.37Å; Y168-L173 HydrophobicContact CE1-CG 3.75Å; Y168-L173 PolarHBondContact O-N 3.07Å; Y168-L173 VanDerWaalsContact O-N 3.07Å; L173-Y175 VanDerWaalsContact C-N 3.28Å; L173-Y175 PolarHBondContact O-N 3.21Å; L173-Q176 PolarHBondContact O-N 2.91Å; L173-L177 PolarHBondContact O-N 3.38Å; L173-W193 HydrophobicContact CB-CH2 3.67Å; L173-W193 HydrophobicContact CB-CZ3 3.79Å; L173-W193 HydrophobicContact CD1-CH2 4.29Å; L173-W193 HydrophobicContact CD1-CZ3 3.94Å; L173-I200 HydrophobicContact CD1-CD1 3.77Å; L173-L279 HydrophobicContact CD1-CD1 3.74Å; L173-L282 HydrophobicContact CD2-CB 4.45Å; L173-L282 HydrophobicContact CD2-CD2 4.25Å; L173-L282 HydrophobicContact CD2-CG 4.13Å; L173-F283 HydrophobicContact CD2-CB 3.91Å; L173-L286 HydrophobicContact CD2-CD1 4.01Å
174E98.3Very high97.4Very high69 Ų6943.3 Ų43.332%0.32221%0.213SC..Iπ-helixtrans-59.9-41.3-179.7-175.1172.7-15500111.4S169 Q176 L177 N178 W193S169-E174 WeakPolarHBondContact O-CB 3.25Å; S169-E174 PolarHBondContact O-N 3.17Å; E174-Q176 PolarHBondContact O-N 2.77Å; E174-L177 PolarHBondContact O-N 3.4Å; E174-N178 WeakPolarHBondContact O-CB 3.4Å; E174-N178 PolarHBondContact O-N 3.16Å; E174-N178 PolarHBondContact O-ND2 3.43Å; E174-W193 HydrophobicContact CB-CZ2 3.77Å; E174-W193 HydrophobicContact CG-CZ2 4.42Å
175Y97.6Very high97.2Very high57 Ų5745 Ų4522%0.22423%0.233CC..Hα-helixtrans-57.8-47.2175.7-177.1-111.1000112.4I154 A155 K157 Q170 L173 N178 M179I154-Y175 HydrophobicContact CG2-CE1 3.97Å; A155-Y175 WeakPolarHBondContact O-CE1 3.4Å; K157-Y175 HydrophobicContact CD-CD2 4.08Å; K157-Y175 HydrophobicContact CD-CE2 4.48Å; K157-Y175 HydrophobicContact CD-CG 4.49Å; K157-Y175 HydrophobicContact CG-CD2 4.43Å; Q170-Y175 PolarHBondContact O-N 2.98Å; L173-Y175 VanDerWaalsContact C-N 3.28Å; L173-Y175 PolarHBondContact O-N 3.21Å; Y175-N178 PolarHBondContact O-N 2.67Å; Y175-M179 HydrophobicContact CD1-CE 3.66Å; Y175-M179 HydrophobicContact CE1-CE 3.48Å; Y175-M179 VanDerWaalsContact CE1-CE 3.48Å; Y175-M179 HydrophobicContact CE1-SD 3.96Å; Y175-M179 HydrophobicContact CG-CE 4.43Å; Y175-M179 PolarHBondContact O-N 3.01Å
176Q98.1Very high97.1Very high3 Ų344.8 Ų44.81%0.01423%0.23CC..Hα-helixtrans-64.9-41177.1-68.8-73.9-7.600112.4R172 L173 E174 M179 V180 F283 L286 N287 N290R172-Q176 VanDerWaalsContact O-CG 3.3Å; R172-Q176 WeakPolarHBondContact O-CG 3.18Å; R172-Q176 PolarHBondContact O-N 2.94Å; L173-Q176 PolarHBondContact O-N 2.91Å; E174-Q176 PolarHBondContact O-N 2.77Å; Q176-M179 HydrophobicContact CG-CE 4.36Å; Q176-M179 PolarHBondContact O-N 3.33Å; Q176-V180 WeakPolarHBondContact O-CG2 3.26Å; Q176-V180 PolarHBondContact O-N 3.48Å; Q176-F283 HydrophobicContact CG-CD2 3.91Å; Q176-F283 HydrophobicContact CG-CE2 3.79Å; Q176-L286 HydrophobicContact CB-CB 3.82Å; Q176-L286 HydrophobicContact CB-CD1 4.25Å; Q176-L286 HydrophobicContact CG-CB 4.44Å; Q176-N287 PolarHBondContact NE2-OD1 2.75Å; Q176-N290 PolarHBondContact O-ND2 3.14Å; Q176-N290 PolarHBondContact OE1-ND2 3.3Å
177L98Very high97Very high8 Ų849.8 Ų49.84%0.04225%0.246CC..Hα-helixtrans-69.2-36.2179-80156.6000112.8L173 E174 M179 V180 E181 A189 W193 L286 M304L173-L177 PolarHBondContact O-N 3.38Å; E174-L177 PolarHBondContact O-N 3.4Å; L177-M179 VanDerWaalsContact C-N 3.27Å; L177-M179 PolarHBondContact O-N 2.85Å; L177-V180 PolarHBondContact O-N 2.83Å; L177-E181 PolarHBondContact O-N 3.08Å; L177-A189 HydrophobicContact CD2-CB 4.17Å; L177-W193 HydrophobicContact CD1-CB 3.86Å; L177-W193 HydrophobicContact CD1-CD2 3.27Å; L177-W193 HydrophobicContact CD1-CE3 3.29Å; L177-W193 HydrophobicContact CD1-CG 3.52Å; L177-W193 HydrophobicContact CD1-CZ3 3.98Å; L177-W193 HydrophobicContact CD2-CB 4.47Å; L177-L286 HydrophobicContact CD1-CD1 4.23Å; L177-L286 HydrophobicContact CD2-CD1 4.38Å; L177-L286 HydrophobicContact CD2-CD2 3.87Å; L177-L286 HydrophobicContact CG-CD1 3.91Å; L177-L286 HydrophobicContact CG-CD2 4.19Å; L177-M304 HydrophobicContact CD1-CE 4.4Å; L177-M304 HydrophobicContact CD2-CE 4.23Å
178N97.4Very high97Very high90 Ų9052.6 Ų52.648%0.48126%0.259SS..Hα-helixtrans-62.5-36.6173.3-74.4-20.1000111.4E174 Y175 K182E174-N178 WeakPolarHBondContact O-CB 3.4Å; E174-N178 PolarHBondContact O-N 3.16Å; E174-N178 PolarHBondContact O-ND2 3.43Å; Y175-N178 PolarHBondContact O-N 2.67Å; N178-K182 VanDerWaalsContact O-CB 3.32Å; N178-K182 WeakPolarHBondContact O-CB 3.3Å; N178-K182 PolarHBondContact O-N 3.11Å
179M97.1Very high96.9Very high38 Ų3852.6 Ų52.619%0.18726%0.259CS..Hα-helixtrans-68.4-40.5172.4-70-175.9-67.400112.3I154 Y175 Q176 L177 K182 S183I154-M179 HydrophobicContact CD1-CE 4.29Å; I154-M179 HydrophobicContact CD1-SD 4.48Å; I154-M179 HydrophobicContact CG2-CE 3.71Å; I154-M179 HydrophobicContact CG2-SD 4.15Å; Y175-M179 HydrophobicContact CD1-CE 3.66Å; Y175-M179 HydrophobicContact CE1-CE 3.48Å; Y175-M179 VanDerWaalsContact CE1-CE 3.48Å; Y175-M179 HydrophobicContact CE1-SD 3.96Å; Y175-M179 HydrophobicContact CG-CE 4.43Å; Y175-M179 PolarHBondContact O-N 3.01Å; Q176-M179 HydrophobicContact CG-CE 4.36Å; Q176-M179 PolarHBondContact O-N 3.33Å; L177-M179 VanDerWaalsContact C-N 3.27Å; L177-M179 PolarHBondContact O-N 2.85Å; M179-K182 PolarHBondContact O-N 2.94Å; M179-S183 VanDerWaalsContact O-CB 3.29Å; M179-S183 WeakPolarHBondContact O-CB 3.41Å; M179-S183 PolarHBondContact O-N 2.99Å; M179-S183 PolarHBondContact O-OG 2.77Å
180V96.2Very high96.9Very high1 Ų157.9 Ų57.91%0.00628%0.277CS..Hα-helixtrans-61-46.7174.2168.90000110.8Q176 L177 K182 S183 H184 G185 D186 L286 W289 N290Q176-V180 WeakPolarHBondContact O-CG2 3.26Å; Q176-V180 PolarHBondContact O-N 3.48Å; L177-V180 PolarHBondContact O-N 2.83Å; V180-K182 PolarHBondContact O-N 3.02Å; V180-S183 PolarHBondContact O-N 2.75Å; V180-H184 WeakPolarHBondContact O-CA 3.21Å; V180-H184 WeakPolarHBondContact O-CB 3.44Å; V180-H184 PolarHBondContact O-N 2.78Å; V180-G185 PolarHBondContact O-N 2.78Å; V180-D186 HydrophobicContact CG1-CB 4.09Å; V180-L286 HydrophobicContact CG2-CD2 4.23Å; V180-W289 HydrophobicContact CG1-CD2 4.24Å; V180-W289 HydrophobicContact CG1-CE3 4.07Å; V180-W289 HydrophobicContact CG1-CH2 3.49Å; V180-W289 VanDerWaalsContact CG1-CH2 3.49Å; V180-W289 HydrophobicContact CG1-CZ2 3.67Å; V180-W289 HydrophobicContact CG1-CZ3 3.71Å; V180-W289 HydrophobicContact CG2-CD2 4.06Å; V180-W289 HydrophobicContact CG2-CE3 3.98Å; V180-W289 HydrophobicContact CG2-CG 4.43Å; V180-W289 HydrophobicContact CG2-CZ3 4.39Å; V180-N290 VanDerWaalsContact CG2-OD1 3.31Å; V180-N290 WeakPolarHBondContact CG2-OD1 3.25Å; V180-N290 PolarHBondContact N-OD1 2.85Å
181E95.4Very high96.9Very high61 Ų6159.2 Ų59.229%0.28528%0.283SS..Hα-helixtrans-61.2-45177.5-179.869.8172.200110.8L177 S183 G185 D186 R190L177-E181 PolarHBondContact O-N 3.08Å; E181-S183 PolarHBondContact O-N 2.93Å; E181-G185 WeakPolarHBondContact O-CA 3.45Å; E181-G185 PolarHBondContact O-N 3.2Å; E181-D186 PolarHBondContact OE2-N 2.83Å; E181-R190 WeakPolarHBondContact OE1-CD 3.34Å; E181-R190 IonicContact OE1-CZ 2.63Å; E181-R190 IonicContact OE1-NE 2.7Å; E181-R190 IonicContact OE1-NH1 3.91Å; E181-R190 PolarHBondContact OE1-NH1 3.32Å
182K95.8Very high96.9Very high190 Ų19059.6 Ų59.683%0.82629%0.285SS*.Hα-helixtrans-64.2-40.8179.3-174.1178.9179.5-177.30112.8N178 M179 V180N178-K182 VanDerWaalsContact O-CB 3.32Å; N178-K182 WeakPolarHBondContact O-CB 3.3Å; N178-K182 PolarHBondContact O-N 3.11Å; M179-K182 PolarHBondContact O-N 2.94Å; V180-K182 PolarHBondContact O-N 3.02Å
183S94Very high97Very high82 Ų8260.4 Ų60.457%0.57329%0.288SS*.Hα-helixtrans-88.1-30.1-173.6-590000113.4M179 V180 E181M179-S183 VanDerWaalsContact O-CB 3.29Å; M179-S183 WeakPolarHBondContact O-CB 3.41Å; M179-S183 PolarHBondContact O-N 2.99Å; M179-S183 PolarHBondContact O-OG 2.77Å; V180-S183 PolarHBondContact O-N 2.75Å; E181-S183 PolarHBondContact O-N 2.93Å
184H93.6Very high96.9Very high89 Ų8963 Ų6341%0.41231%0.309SS..Hα-helixtrans-125.6-17-171.7-59.7-66.6000114.4V180 D186 W289V180-H184 WeakPolarHBondContact O-CA 3.21Å; V180-H184 WeakPolarHBondContact O-CB 3.44Å; V180-H184 PolarHBondContact O-N 2.78Å; H184-D186 VanDerWaalsContact C-N 3.27Å; H184-D186 PolarHBondContact O-N 2.89Å; H184-W289 HydrophobicContact CB-CZ2 4.43Å; H184-W289 AromaticContact CD2-CD1 3.89Å; H184-W289 AromaticContact CD2-CE2 3.89Å; H184-W289 AromaticContact CD2-NE1 3.24Å; H184-W289 PolarHBondContact CD2-NE1 3.17Å; H184-W289 AromaticContact CE1-NE1 3.86Å; H184-W289 AromaticContact CG-NE1 3.8Å; H184-W289 AromaticContact NE2-CD1 3.57Å; H184-W289 AromaticContact NE2-NE1 3.27Å; H184-W289 PolarHBondContact NE2-NE1 3.12Å
185G94.3Very high96.9Very high42 Ų4265.8 Ų65.843%0.43332%0.32SS..  trans59.236.1-177.700000113.4V180 E181 R187V180-G185 PolarHBondContact O-N 2.78Å; E181-G185 WeakPolarHBondContact O-CA 3.45Å; E181-G185 PolarHBondContact O-N 3.2Å; G185-R187 PolarHBondContact O-N 3.36Å
186D96.5Very high97Very high19 Ų1963 Ų6310%0.10231%0.31CS..  trans-76.195.8-170.5-161.1-76.4000112.9V180 E181 H184 E188 A189 R190 W289 R297V180-D186 HydrophobicContact CG1-CB 4.09Å; E181-D186 PolarHBondContact OE2-N 2.83Å; H184-D186 VanDerWaalsContact C-N 3.27Å; H184-D186 PolarHBondContact O-N 2.89Å; D186-E188 VanDerWaalsContact C-N 3.29Å; D186-E188 PolarHBondContact O-N 2.79Å; D186-E188 PolarHBondContact OD1-N 3.24Å; D186-A189 HydrophobicContact CB-CB 4.02Å; D186-A189 PolarHBondContact O-N 3.5Å; D186-A189 WeakPolarHBondContact OD1-CB 3.5Å; D186-A189 PolarHBondContact OD1-N 3.36Å; D186-R190 PolarHBondContact O-N 3.39Å; D186-R190 VanDerWaalsContact O-N 3.1Å; D186-W289 HydrophobicContact CB-CH2 3.81Å; D186-W289 HydrophobicContact CB-CZ2 4.12Å; D186-R297 IonicContact OD1-CZ 3.51Å; D186-R297 IonicContact OD1-NE 3.63Å; D186-R297 IonicContact OD1-NH2 3.77Å; D186-R297 PolarHBondContact OD1-NH2 2.97Å; D186-R297 IonicContact OD2-CZ 2.84Å; D186-R297 IonicContact OD2-NE 3.24Å; D186-R297 PolarHBondContact OD2-NE 3.29Å; D186-R297 IonicContact OD2-NH2 2.64Å; D186-R297 PolarHBondContact OD2-NH2 3.14Å
187R96.4Very high96.9Very high181 Ų18166.6 Ų66.668%0.68333%0.326SS*.Hα-helixtrans-57.6-39.4-177.6-63.9-177.7179.8-179-0.3113.5G185 R190 E191G185-R187 PolarHBondContact O-N 3.36Å; R187-R190 PolarHBondContact O-N 3.3Å; R187-E191 WeakPolarHBondContact O-CG 3.27Å; R187-E191 PolarHBondContact O-N 2.84Å
188E98Very high96.9Very high58 Ų5872.6 Ų72.627%0.27136%0.358SS..Hα-helixtrans-69-44.4-177.7-176.4-179.8-158.700110.9D186 R190 E191 L192 R297 I301 K305D186-E188 VanDerWaalsContact C-N 3.29Å; D186-E188 PolarHBondContact O-N 2.79Å; D186-E188 PolarHBondContact OD1-N 3.24Å; E188-R190 VanDerWaalsContact C-N 3.29Å; E188-R190 PolarHBondContact O-N 3.16Å; E188-E191 PolarHBondContact O-N 3.45Å; E188-L192 HydrophobicContact CG-CD1 3.9Å; E188-L192 HydrophobicContact CG-CG 4.47Å; E188-L192 WeakPolarHBondContact O-CB 3.49Å; E188-L192 VanDerWaalsContact O-CG 3.23Å; E188-L192 WeakPolarHBondContact O-CG 3.32Å; E188-L192 PolarHBondContact O-N 3.48Å; E188-R297 IonicContact OE2-CZ 3.89Å; E188-R297 IonicContact OE2-NH1 2.72Å; E188-R297 PolarHBondContact OE2-NH1 3.39Å; E188-R297 IonicContact OE2-NH2 3.53Å; E188-R297 PolarHBondContact OE2-NH2 3.06Å; E188-I301 HydrophobicContact CG-CD1 4.26Å; E188-I301 HydrophobicContact CG-CG2 4.28Å; E188-K305 WeakPolarHBondContact OE1-CE 3.3Å; E188-K305 IonicContact OE1-NZ 3.66Å; E188-K305 PolarHBondContact OE1-NZ 3.04Å
189A97.9Very high96.9Very high1 Ų170 Ų701%0.00834%0.342CS..Hα-helixtrans-57.9-44.2173.800000111.2L177 D186 L192 W193 W289 I301 M304L177-A189 HydrophobicContact CD2-CB 4.17Å; D186-A189 HydrophobicContact CB-CB 4.02Å; D186-A189 PolarHBondContact O-N 3.5Å; D186-A189 WeakPolarHBondContact OD1-CB 3.5Å; D186-A189 PolarHBondContact OD1-N 3.36Å; A189-L192 PolarHBondContact O-N 3.21Å; A189-W193 WeakPolarHBondContact O-CB 3.23Å; A189-W193 PolarHBondContact O-N 3.05Å; A189-W289 HydrophobicContact CB-CH2 4.3Å; A189-W289 HydrophobicContact CB-CZ3 4.32Å; A189-I301 HydrophobicContact CB-CD1 3.82Å; A189-M304 WeakPolarHBondContact O-CE 3.35Å
190R97.7Very high97Very high127 Ų12768.2 Ų68.248%0.47933%0.333SS..Hα-helixtrans-61.6-47.1177.9-174.3-179.968.5-1717.6112.9E181 D186 R187 E188 W193 A194E181-R190 WeakPolarHBondContact OE1-CD 3.34Å; E181-R190 IonicContact OE1-CZ 2.63Å; E181-R190 IonicContact OE1-NE 2.7Å; E181-R190 IonicContact OE1-NH1 3.91Å; E181-R190 PolarHBondContact OE1-NH1 3.32Å; D186-R190 PolarHBondContact O-N 3.39Å; D186-R190 VanDerWaalsContact O-N 3.1Å; R187-R190 PolarHBondContact O-N 3.3Å; E188-R190 VanDerWaalsContact C-N 3.29Å; E188-R190 PolarHBondContact O-N 3.16Å; R190-W193 PolarHBondContact O-N 3.26Å; R190-A194 PolarHBondContact O-N 2.79Å
191E98.2Very high97.1Very high116 Ų11671.2 Ų71.254%0.54235%0.353SS..Hα-helixtrans-65.2-39.6178.7-74.6172.8-168.500112.5R187 E188R187-E191 WeakPolarHBondContact O-CG 3.27Å; R187-E191 PolarHBondContact O-N 2.84Å; E188-E191 PolarHBondContact O-N 3.45Å
192L98.6Very high97.2Very high18 Ų1874.2 Ų74.29%0.09437%0.367CS..Hα-helixtrans-67.9-37.9175.2-68.4169000111.1E188 A189 K195 L196 I301 M304 K305 L308E188-L192 HydrophobicContact CG-CD1 3.9Å; E188-L192 HydrophobicContact CG-CG 4.47Å; E188-L192 WeakPolarHBondContact O-CB 3.49Å; E188-L192 VanDerWaalsContact O-CG 3.23Å; E188-L192 WeakPolarHBondContact O-CG 3.32Å; E188-L192 PolarHBondContact O-N 3.48Å; A189-L192 PolarHBondContact O-N 3.21Å; L192-K195 PolarHBondContact O-N 2.73Å; L192-L196 WeakPolarHBondContact O-CB 3.35Å; L192-L196 PolarHBondContact O-N 2.91Å; L192-I301 HydrophobicContact CD1-CD1 4.09Å; L192-I301 HydrophobicContact CD1-CG2 3.97Å; L192-M304 HydrophobicContact CB-CB 4.09Å; L192-M304 HydrophobicContact CB-CE 3.68Å; L192-M304 HydrophobicContact CB-SD 4.22Å; L192-M304 HydrophobicContact CD1-CB 4.06Å; L192-K305 HydrophobicContact CD1-CG 3.99Å; L192-K305 HydrophobicContact CD2-CG 3.96Å; L192-L308 HydrophobicContact CB-CD1 4.4Å; L192-L308 HydrophobicContact CD2-CD1 3.61Å
193W98.4Very high97.3Very high19 Ų1965.8 Ų65.87%0.07233%0.33CS..Hα-helixtrans-63.2-41.9176.7176.8-124.3000112.6L173 E174 L177 A189 R190 K195 L196 Q197 I200 M304L173-W193 HydrophobicContact CB-CH2 3.67Å; L173-W193 HydrophobicContact CB-CZ3 3.79Å; L173-W193 HydrophobicContact CD1-CH2 4.29Å; L173-W193 HydrophobicContact CD1-CZ3 3.94Å; E174-W193 HydrophobicContact CB-CZ2 3.77Å; E174-W193 HydrophobicContact CG-CZ2 4.42Å; L177-W193 HydrophobicContact CD1-CB 3.86Å; L177-W193 HydrophobicContact CD1-CD2 3.27Å; L177-W193 HydrophobicContact CD1-CE3 3.29Å; L177-W193 HydrophobicContact CD1-CG 3.52Å; L177-W193 HydrophobicContact CD1-CZ3 3.98Å; L177-W193 HydrophobicContact CD2-CB 4.47Å; A189-W193 WeakPolarHBondContact O-CB 3.23Å; A189-W193 PolarHBondContact O-N 3.05Å; R190-W193 PolarHBondContact O-N 3.26Å; W193-K195 PolarHBondContact O-N 2.7Å; W193-L196 HydrophobicContact CE3-CB 4.43Å; W193-L196 PolarHBondContact O-N 3.3Å; W193-Q197 HydrophobicContact CD2-CB 4.2Å; W193-Q197 HydrophobicContact CE3-CB 4.32Å; W193-Q197 HydrophobicContact CH2-CB 3.9Å; W193-Q197 HydrophobicContact CZ2-CB 3.75Å; W193-Q197 HydrophobicContact CZ3-CB 4.19Å; W193-Q197 WeakPolarHBondContact O-CB 3.42Å; W193-Q197 WeakPolarHBondContact O-CG 3.39Å; W193-Q197 PolarHBondContact O-N 3.43Å; W193-Q197 PolarHBondContact O-NE2 3.43Å; W193-I200 HydrophobicContact CH2-CD1 3.88Å; W193-I200 HydrophobicContact CZ3-CD1 3.77Å; W193-M304 HydrophobicContact CB-CE 3.91Å; W193-M304 VanDerWaalsContact N-CE 3.35Å
194A98.1Very high97.4Very high53 Ų5362.7 Ų62.744%0.43831%0.307SS..Hα-helixtrans-55.3-34176.600000112.6R190R190-A194 PolarHBondContact O-N 2.79Å
195K98.3Very high97.4Very high128 Ų12862.7 Ų62.756%0.55731%0.313SS*.Hα-helixtrans-84-45.2176.4-61.3173.6-174.8174.50111.7L192 W193 Q197 L198 L308L192-K195 PolarHBondContact O-N 2.73Å; W193-K195 PolarHBondContact O-N 2.7Å; K195-Q197 PolarHBondContact O-N 3.44Å; K195-L198 PolarHBondContact O-N 3.28Å; K195-L308 HydrophobicContact CB-CD1 4Å; K195-L308 HydrophobicContact CB-CD2 3.69Å; K195-L308 HydrophobicContact CD-CD1 4.39Å
196L98.3Very high97.2Very high0 Ų068.5 Ų68.50%033%0.334CS..Hα-helixtrans-65.9-41-172.5-178.659.1000111.5L192 W193 L198 K199 I200 F203 L282 M304 L307 L308L192-L196 WeakPolarHBondContact O-CB 3.35Å; L192-L196 PolarHBondContact O-N 2.91Å; W193-L196 HydrophobicContact CE3-CB 4.43Å; W193-L196 PolarHBondContact O-N 3.3Å; L196-L198 PolarHBondContact O-N 3.07Å; L196-L198 VanDerWaalsContact O-N 3.15Å; L196-K199 WeakPolarHBondContact O-CA 3.34Å; L196-K199 PolarHBondContact O-N 3.44Å; L196-I200 HydrophobicContact CG-CG1 4.36Å; L196-I200 WeakPolarHBondContact O-CG1 3.39Å; L196-I200 PolarHBondContact O-N 3.29Å; L196-F203 HydrophobicContact CD1-CE2 4.24Å; L196-L282 HydrophobicContact CD2-CD2 3.61Å; L196-M304 HydrophobicContact CD2-CB 4.45Å; L196-M304 HydrophobicContact CD2-CE 4.4Å; L196-M304 HydrophobicContact CD2-CG 4.16Å; L196-L307 HydrophobicContact CD1-CB 3.71Å; L196-L307 HydrophobicContact CD1-CD1 4.28Å; L196-L307 HydrophobicContact CD2-CD1 4.16Å; L196-L308 HydrophobicContact CB-CD2 4.22Å; L196-L308 HydrophobicContact CB-CG 4.49Å; L196-L308 HydrophobicContact CD1-CD2 4.42Å
197Q97.6Very high97.1Very high78 Ų7868.7 Ų68.736%0.36434%0.336SS..Hα-helixtrans-56.5-33179.871.3-173.8-9700113.1W193 K195W193-Q197 HydrophobicContact CD2-CB 4.2Å; W193-Q197 HydrophobicContact CE3-CB 4.32Å; W193-Q197 HydrophobicContact CH2-CB 3.9Å; W193-Q197 HydrophobicContact CZ2-CB 3.75Å; W193-Q197 HydrophobicContact CZ3-CB 4.19Å; W193-Q197 WeakPolarHBondContact O-CB 3.42Å; W193-Q197 WeakPolarHBondContact O-CG 3.39Å; W193-Q197 PolarHBondContact O-N 3.43Å; W193-Q197 PolarHBondContact O-NE2 3.43Å; K195-Q197 PolarHBondContact O-N 3.44Å
198L97.8Very high96.9Very high133 Ų13367.7 Ų67.770%0.69634%0.339SS*.Hα-helixtrans-74.7-28.7177.3-60.3176.3000112.5K195 L196K195-L198 PolarHBondContact O-N 3.28Å; L196-L198 PolarHBondContact O-N 3.07Å; L196-L198 VanDerWaalsContact O-N 3.15Å
199K97.9Very high96.9Very high36 Ų3666.3 Ų66.316%0.15733%0.334CS..Hα-helixtrans-85.5-22.3-179.9-165.2174.9-177.1-177.60112.8L196 P201 E202 F203 L307 L308 K309L196-K199 WeakPolarHBondContact O-CA 3.34Å; L196-K199 PolarHBondContact O-N 3.44Å; K199-P201 VanDerWaalsContact C-CD 3.43Å; K199-E202 VanDerWaalsContact O-CB 3.31Å; K199-E202 WeakPolarHBondContact O-CB 3.45Å; K199-E202 PolarHBondContact O-N 3.18Å; K199-F203 HydrophobicContact CD-CZ 4.21Å; K199-F203 HydrophobicContact CG-CE2 4.33Å; K199-F203 HydrophobicContact CG-CZ 4.17Å; K199-L307 WeakPolarHBondContact CD-O 3.28Å; K199-L307 WeakPolarHBondContact CE-O 3.38Å; K199-L307 PolarHBondContact NZ-O 2.85Å; K199-L308 HydrophobicContact CD-CD2 4.35Å; K199-L308 VanDerWaalsContact NZ-C 3.3Å; K199-L308 PolarHBondContact NZ-O 2.7Å; K199-K309 PolarHBondContact NZ-OXT 3.44Å
200I98.1Very high96.8Very high0 Ų067.9 Ų67.90%034%0.344CS..G310 helixtrans-50.7-45.9-176.6-72.3171.7000113.5V165 L173 W193 L196 E202 F203 F204 L279V165-I200 HydrophobicContact CG1-CG2 3.96Å; L173-I200 HydrophobicContact CD1-CD1 3.77Å; W193-I200 HydrophobicContact CH2-CD1 3.88Å; W193-I200 HydrophobicContact CZ3-CD1 3.77Å; L196-I200 HydrophobicContact CG-CG1 4.36Å; L196-I200 WeakPolarHBondContact O-CG1 3.39Å; L196-I200 PolarHBondContact O-N 3.29Å; I200-E202 PolarHBondContact O-N 3.36Å; I200-E202 VanDerWaalsContact O-N 3.14Å; I200-F203 WeakPolarHBondContact O-CD2 3.44Å; I200-F203 PolarHBondContact O-N 2.85Å; I200-F203 VanDerWaalsContact O-N 3.14Å; I200-F204 HydrophobicContact CG2-CD2 4.35Å; I200-F204 HydrophobicContact CG2-CE2 4.04Å; I200-F204 WeakPolarHBondContact O-CD2 3.34Å; I200-L279 HydrophobicContact CD1-CD1 4.3Å; I200-L279 HydrophobicContact CG1-CD1 4.13Å; I200-L279 HydrophobicContact CG1-CD2 4.37Å; I200-L279 HydrophobicContact CG2-CD2 4.18Å
201P97.8Very high96.9Very high65 Ų6562.2 Ų62.242%0.42232%0.324SS..G310 helixtrans-55.3-32.4179.6-26.334.9000113.8V165 K199 F203 F204 T205V165-P201 HydrophobicContact CG1-CB 4.41Å; V165-P201 HydrophobicContact CG1-CG 4.05Å; K199-P201 VanDerWaalsContact C-CD 3.43Å; P201-F203 VanDerWaalsContact C-N 3.28Å; P201-F203 PolarHBondContact O-N 2.83Å; P201-F204 PolarHBondContact O-N 3.23Å; P201-F204 VanDerWaalsContact O-N 3.15Å; P201-T205 PolarHBondContact O-N 3.21Å
202E97.4Very high96.9Very high124 Ų12456.9 Ų56.958%0.57930%0.299SS*.G310 helixtrans-61.9-35.6-178.8-60.1176.3-163.100111.9K199 I200 F204 T205K199-E202 VanDerWaalsContact O-CB 3.31Å; K199-E202 WeakPolarHBondContact O-CB 3.45Å; K199-E202 PolarHBondContact O-N 3.18Å; I200-E202 PolarHBondContact O-N 3.36Å; I200-E202 VanDerWaalsContact O-N 3.14Å; E202-F204 PolarHBondContact O-N 2.93Å; E202-F204 VanDerWaalsContact O-N 3.15Å; E202-T205 PolarHBondContact O-N 3.35Å; E202-T205 PolarHBondContact O-OG1 2.93Å
203F97.8Very high96.9Very high13 Ų1356.1 Ų56.16%0.05730%0.295CS..G310 helixtrans-67.3-15.5-179.8-57.7-60000114.2L196 K199 I200 P201 Q275 R276 L279 L307L196-F203 HydrophobicContact CD1-CE2 4.24Å; K199-F203 HydrophobicContact CD-CZ 4.21Å; K199-F203 HydrophobicContact CG-CE2 4.33Å; K199-F203 HydrophobicContact CG-CZ 4.17Å; I200-F203 WeakPolarHBondContact O-CD2 3.44Å; I200-F203 PolarHBondContact O-N 2.85Å; I200-F203 VanDerWaalsContact O-N 3.14Å; P201-F203 VanDerWaalsContact C-N 3.28Å; P201-F203 PolarHBondContact O-N 2.83Å; F203-Q275 HydrophobicContact CD1-CB 3.94Å; F203-Q275 HydrophobicContact CE1-CB 4.14Å; F203-R276 HydrophobicContact CB-CG 4.07Å; F203-R276 WeakPolarHBondContact O-CD 3.36Å; F203-R276 PolarHBondContact O-NH1 2.63Å; F203-L279 HydrophobicContact CD2-CD2 3.97Å; F203-L307 HydrophobicContact CE1-CD2 4.4Å; F203-L307 HydrophobicContact CZ-CB 4.2Å; F203-L307 HydrophobicContact CZ-CD2 4.04Å
204F97.2Very high96.9Very high17 Ų1755.2 Ų55.28%0.07529%0.292CS..G310 helixtrans-111.87.2-177.7-63.3-83.7000112.8W164 V165 I200 P201 E202 N206 V207 V209 H241 R276 L279 Y280W164-F204 AromaticContact CD1-CD1 3.88Å; W164-F204 AromaticContact CD1-CE1 3.57Å; W164-F204 AromaticContact NE1-CE1 3.32Å; W164-F204 VanDerWaalsContact NE1-CE1 3.32Å; W164-F204 AromaticContact NE1-CZ 3.53Å; V165-F204 HydrophobicContact CG2-CB 3.85Å; V165-F204 HydrophobicContact CG2-CD2 3.71Å; V165-F204 HydrophobicContact CG2-CE2 4.48Å; V165-F204 HydrophobicContact CG2-CG 3.82Å; I200-F204 HydrophobicContact CG2-CD2 4.35Å; I200-F204 HydrophobicContact CG2-CE2 4.04Å; I200-F204 WeakPolarHBondContact O-CD2 3.34Å; P201-F204 PolarHBondContact O-N 3.23Å; P201-F204 VanDerWaalsContact O-N 3.15Å; E202-F204 PolarHBondContact O-N 2.93Å; E202-F204 VanDerWaalsContact O-N 3.15Å; F204-N206 PolarHBondContact O-N 3.44Å; F204-V207 PolarHBondContact O-N 3.47Å; F204-V207 VanDerWaalsContact O-N 3.14Å; F204-V209 HydrophobicContact CD1-CG2 4.08Å; F204-H241 AromaticContact CE1-ND1 3.92Å; F204-R276 VanDerWaalsContact CE1-CD 3.44Å; F204-R276 HydrophobicContact CE1-CG 4.2Å; F204-R276 HydrophobicContact CZ-CG 4.23Å; F204-L279 HydrophobicContact CE2-CD2 3.79Å; F204-L279 HydrophobicContact CZ-CD2 4.15Å; F204-Y280 VanDerWaalsContact CE1-OH 3.23Å; F204-Y280 WeakPolarHBondContact CE1-OH 3.11Å; F204-Y280 HydrophobicContact CZ-CE1 4.46Å; F204-Y280 WeakPolarHBondContact CZ-OH 3.36Å
205T94.1Very high96.9Very high89 Ų8952.7 Ų52.755%0.54627%0.271SS..THydrogen-bonded Turntrans-63.2129.1175.9-56.40000109.8P201 E202 V207P201-T205 PolarHBondContact O-N 3.21Å; E202-T205 PolarHBondContact O-N 3.35Å; E202-T205 PolarHBondContact O-OG1 2.93Å; T205-V207 PolarHBondContact O-N 2.93Å
206N90.1Very high96.9Very high164 Ų16446.6 Ų46.688%0.87725%0.245SC*.THydrogen-bonded Turntrans6123.7-176-51.2-44.8000114.7F204F204-N206 PolarHBondContact O-N 3.44Å
207V93.7Very high96.9Very high22 Ų2247.7 Ų47.713%0.13325%0.25CS..  trans-110.1116.8173.4-1770000108.5F204 T205 V209 T270F204-V207 PolarHBondContact O-N 3.47Å; F204-V207 VanDerWaalsContact O-N 3.14Å; T205-V207 PolarHBondContact O-N 2.93Å; V207-V209 HydrophobicContact CG1-CG2 4.04Å; V207-V209 PolarHBondContact O-N 3.31Å; V207-T270 HydrophobicContact CG1-CG2 4.41Å; V207-T270 HydrophobicContact CG2-CG2 4.25Å
208E92.4Very high96.8Very high160 Ų16044 Ų4475%0.74823%0.233SC*.  trans-78.2112.8168.8-172.5-175-178.400109.1V210E208-V210 HydrophobicContact CG-CG2 4.26Å
209V97Very high96.7Very high29 Ų2942 Ų4218%0.17622%0.216CC..  trans-98.8112.7175.6-176.80000108.9F143 W164 F204 V207 H241F143-V209 HydrophobicContact CE1-CG1 3.74Å; F143-V209 HydrophobicContact CZ-CB 4.32Å; F143-V209 HydrophobicContact CZ-CG1 3.83Å; W164-V209 HydrophobicContact CB-CB 4.17Å; W164-V209 HydrophobicContact CB-CG1 3.89Å; W164-V209 HydrophobicContact CD2-CG1 4.17Å; W164-V209 HydrophobicContact CG-CB 4.3Å; W164-V209 HydrophobicContact CG-CG1 3.71Å; W164-V209 HydrophobicContact CG-CG2 4.35Å; F204-V209 HydrophobicContact CD1-CG2 4.08Å; V207-V209 HydrophobicContact CG1-CG2 4.04Å; V207-V209 PolarHBondContact O-N 3.31Å; V209-H241 HydrophobicContact CG1-CB 3.6Å
210V97.1Very high96.6Very high34 Ų3441.6 Ų41.621%0.20622%0.222CC..  trans-98.9133.9173.6-176.30000108.8K115 L118 E208 A212K115-V210 HydrophobicContact CB-CG1 4.06Å; K115-V210 HydrophobicContact CG-CG1 4.39Å; L118-V210 HydrophobicContact CD1-CG1 3.96Å; E208-V210 HydrophobicContact CG-CG2 4.26Å; V210-A212 PolarHBondContact O-N 2.86Å; V210-A212 VanDerWaalsContact O-N 3.1Å
211P98.6Very high96.4Very high9 Ų943.1 Ų43.16%0.05824%0.237CC..  trans-58.7116.3176.7-18.627.4000111.1N114 K142 F143 Y239N114-P211 WeakPolarHBondContact CB-O 3.35Å; N114-P211 PolarHBondContact ND2-O 3.24Å; K142-P211 WeakPolarHBondContact O-CB 3.4Å; F143-P211 HydrophobicContact CD1-CB 3.92Å; F143-P211 HydrophobicContact CD1-CG 3.89Å; F143-P211 HydrophobicContact CE1-CB 3.87Å; F143-P211 HydrophobicContact CE1-CG 3.55Å; F143-P211 HydrophobicContact CZ-CG 3.89Å; P211-Y239 HydrophobicContact CB-CD1 4.37Å
212A98.7Very high96.3Very high3 Ų340.5 Ų40.53%0.02522%0.22CC..EExtended strand (participates in β ladder)trans-110.1137.6175.100000108.7H111 V210 L214 Y239 G240H111-A212 HydrophobicContact CB-CB 4.04Å; H111-A212 WeakPolarHBondContact O-CB 3.39Å; V210-A212 PolarHBondContact O-N 2.86Å; V210-A212 VanDerWaalsContact O-N 3.1Å; A212-L214 HydrophobicContact CB-CD2 4.47Å; A212-L214 PolarHBondContact O-N 3.27Å; A212-Y239 CarbonylContact O-C 3.46Å; A212-Y239 VanDerWaalsContact O-CA 3.29Å; A212-Y239 WeakPolarHBondContact O-CA 3.3Å; A212-G240 PolarHBondContact N-O 3.24Å; A212-G240 PolarHBondContact O-N 3.04Å
213L98.8Very high96.3Very high3 Ų335 Ų352%0.01620%0.195CC..EExtended strand (participates in β ladder)trans-68.4115.6172.4176.961.3000108.8T61 I62 T65 L110 H111 F145 Y239T61-L213 HydrophobicContact CG2-CD1 3.97Å; T61-L213 HydrophobicContact CG2-CD2 3.66Å; T61-L213 HydrophobicContact CG2-CG 4.49Å; I62-L213 HydrophobicContact CG1-CD2 4.1Å; T65-L213 HydrophobicContact CG2-CD2 3.71Å; L110-L213 HydrophobicContact CD1-CD2 3.94Å; L110-L213 HydrophobicContact CD1-CG 4.35Å; H111-L213 PolarHBondContact CD2-O 3.23Å; H111-L213 VanDerWaalsContact CD2-O 3.24Å; F145-L213 HydrophobicContact CE2-CD1 4Å; L213-Y239 HydrophobicContact CB-CD1 4.28Å; L213-Y239 HydrophobicContact CB-CE1 3.87Å; L213-Y239 HydrophobicContact CD1-CD2 4.5Å; L213-Y239 HydrophobicContact CD1-CE2 4.13Å
214L98.9Very high96.3Very high0 Ų034.7 Ų34.70%020%0.195CC..EExtended strand (participates in β ladder)trans-96151.4179.6-56.8176.8000110.7A212 S237 F238 F244 E245A212-L214 HydrophobicContact CB-CD2 4.47Å; A212-L214 PolarHBondContact O-N 3.27Å; L214-S237 VanDerWaalsContact O-CA 3.32Å; L214-S237 WeakPolarHBondContact O-CA 3.41Å; L214-S237 WeakPolarHBondContact O-CB 3.34Å; L214-S237 PolarHBondContact O-OG 2.96Å; L214-F238 WeakPolarHBondContact CB-O 3.49Å; L214-F238 HydrophobicContact CD1-CD2 4.22Å; L214-F238 HydrophobicContact CD1-CE1 4.02Å; L214-F238 HydrophobicContact CD1-CE2 3.64Å; L214-F238 HydrophobicContact CD1-CZ 3.52Å; L214-F238 PolarHBondContact N-O 2.88Å; L214-F244 HydrophobicContact CD1-CB 3.9Å; L214-F244 HydrophobicContact CD1-CD1 3.82Å; L214-F244 HydrophobicContact CD1-CG 4.08Å; L214-E245 WeakPolarHBondContact CB-OE2 3.45Å; L214-E245 HydrophobicContact CD2-CB 4.46Å
215H98.7Very high96.3Very high0 Ų034.2 Ų34.20%019%0.193CC..  trans-68.7-40.3161.6178.8-88.4000109.9D217 L218 I232 F233 P235 A236 S237 E245H215-D217 VanDerWaalsContact C-N 3.31Å; H215-D217 PolarHBondContact CE1-O 2.82Å; H215-D217 PolarHBondContact ND1-N 3.36Å; H215-D217 PolarHBondContact ND1-O 3.17Å; H215-D217 PolarHBondContact O-N 3.48Å; H215-L218 HydrophobicContact CB-CB 4.07Å; H215-L218 HydrophobicContact CB-CD1 4.19Å; H215-L218 WeakPolarHBondContact ND1-CA 3.41Å; H215-L218 PolarHBondContact ND1-N 3.21Å; H215-L218 VanDerWaalsContact ND1-N 3.2Å; H215-I232 HydrophobicContact CB-CD1 4.38Å; H215-F233 PolarHBondContact CE1-O 3.45Å; H215-F233 PolarHBondContact NE2-O 3.05Å; H215-P235 WeakPolarHBondContact NE2-CA 3.26Å; H215-A236 CarbonylContact O-C 3.56Å; H215-A236 VanDerWaalsContact O-C 3.24Å; H215-A236 PolarHBondContact O-N 3.39Å; H215-S237 PolarHBondContact O-N 3.1Å; H215-E245 WeakPolarHBondContact CA-OE2 3.44Å; H215-E245 WeakPolarHBondContact CB-OE2 3.29Å; H215-E245 PolarHBondContact N-OE2 3.06Å
216G97.4Very high96.4Very high0 Ų030.3 Ų30.30%017%0.169CC..SBendtrans87.3-13.9171.100000115.4E245G216-E245 PolarHBondContact N-OE1 3.33Å; G216-E245 PolarHBondContact N-OE2 3.11Å
217D97.2Very high96.7Very high22 Ų2226.5 Ų26.512%0.11816%0.16CC..  trans-148.243.1176.4-162.937.2000112H215 W219 N222 A236 I248H215-D217 VanDerWaalsContact C-N 3.31Å; H215-D217 PolarHBondContact CE1-O 2.82Å; H215-D217 PolarHBondContact ND1-N 3.36Å; H215-D217 PolarHBondContact ND1-O 3.17Å; H215-D217 PolarHBondContact O-N 3.48Å; D217-W219 PolarHBondContact O-N 3.03Å; D217-N222 PolarHBondContact O-ND2 3.21Å; D217-N222 PolarHBondContact OD2-ND2 3.26Å; D217-N222 VanDerWaalsContact OD2-ND2 3.16Å; D217-A236 HydrophobicContact CB-CB 4.08Å; D217-I248 WeakPolarHBondContact OD1-CD1 3.28Å
218L97.1Very high96.8Very high0 Ų030.3 Ų30.30%018%0.18CC..  trans-8470.7-171.3-164.472.5000113.8L107 H215 V223 I232 E245 S249 F255L107-L218 HydrophobicContact CD1-CD2 3.81Å; L107-L218 HydrophobicContact CD2-CD2 3.52Å; L107-L218 HydrophobicContact CG-CD2 4.3Å; H215-L218 HydrophobicContact CB-CB 4.07Å; H215-L218 HydrophobicContact CB-CD1 4.19Å; H215-L218 WeakPolarHBondContact ND1-CA 3.41Å; H215-L218 PolarHBondContact ND1-N 3.21Å; H215-L218 VanDerWaalsContact ND1-N 3.2Å; L218-V223 HydrophobicContact CD1-CG1 3.48Å; L218-V223 VanDerWaalsContact CD1-CG1 3.48Å; L218-V223 HydrophobicContact CG-CG1 3.99Å; L218-I232 HydrophobicContact CD1-CB 3.81Å; L218-I232 HydrophobicContact CD1-CD1 4.45Å; L218-I232 HydrophobicContact CD1-CG2 3.63Å; L218-E245 HydrophobicContact CB-CG 3.78Å; L218-E245 WeakPolarHBondContact CB-OE1 3.21Å; L218-E245 HydrophobicContact CD2-CG 3.88Å; L218-E245 HydrophobicContact CG-CG 4.5Å; L218-E245 PolarHBondContact N-OE1 2.91Å; L218-S249 WeakPolarHBondContact O-CA 3.37Å; L218-F255 HydrophobicContact CD2-CE1 4.45Å; L218-F255 HydrophobicContact CD2-CZ 4.39Å; L218-F255 HydrophobicContact CG-CE1 4.49Å; L218-F255 HydrophobicContact CG-CZ 3.99Å; L218-F255 WeakPolarHBondContact O-CE2 3.38Å; L218-F255 WeakPolarHBondContact O-CZ 3.3Å
219W95.6Very high97.1Very high93 Ų9322.9 Ų22.935%0.35215%0.146SC..SBendtrans-99.9174.3172.770.9-70.2000111.9D217 G221 N222 I248 F252D217-W219 PolarHBondContact O-N 3.03Å; W219-G221 PolarHBondContact O-N 2.67Å; W219-N222 PolarHBondContact NE1-ND2 3.4Å; W219-N222 PolarHBondContact O-N 3.03Å; W219-I248 HydrophobicContact CB-CD1 4.05Å; W219-I248 HydrophobicContact CB-CG1 4.08Å; W219-I248 HydrophobicContact CG-CD1 4.42Å; W219-F252 HydrophobicContact CB-CD2 4.1Å; W219-F252 HydrophobicContact CE3-CB 3.8Å; W219-F252 HydrophobicContact CE3-CD2 4.31Å; W219-F252 HydrophobicContact CE3-CG 4.3Å; W219-F252 HydrophobicContact CZ3-CB 4.49Å
220G94.7Very high97.1Very high26 Ų2621.5 Ų21.527%0.26814%0.138SC..G310 helixtrans-56.5-20.9-176.600000115.6G253G220-G253 PolarHBondContact N-O 3.01Å
221G93.5Very high97.2Very high32 Ų3219.9 Ų19.933%0.3313%0.128SC..G310 helixtrans-78.8-15.9174.500000114.9W219 F233W219-G221 PolarHBondContact O-N 2.67Å; G221-F233 WeakPolarHBondContact O-CE2 3.25Å; G221-F233 WeakPolarHBondContact O-CZ 3.5Å
222N96.9Very high97.2Very high10 Ų1019.5 Ų19.55%0.05313%0.125CC..G310 helixtrans-112.518.6-173.6-74.9-3.8000112.5D217 W219 I232 F233D217-N222 PolarHBondContact O-ND2 3.21Å; D217-N222 PolarHBondContact OD2-ND2 3.26Å; D217-N222 VanDerWaalsContact OD2-ND2 3.16Å; W219-N222 PolarHBondContact NE1-ND2 3.4Å; W219-N222 PolarHBondContact O-N 3.03Å; N222-I232 WeakPolarHBondContact O-CA 3.29Å; N222-F233 VanDerWaalsContact CB-O 3.25Å; N222-F233 WeakPolarHBondContact CB-O 3.47Å; N222-F233 PolarHBondContact O-N 3.5Å; N222-F233 VanDerWaalsContact O-N 3.11Å
223V97.3Very high97.2Very high10 Ų1021 Ų216%0.06113%0.131CC..EExtended strand (participates in β ladder)trans-135.4142.3177.7-59.70000111.4L96 L103 L218 I232 F255L96-V223 HydrophobicContact CD2-CG2 4.2Å; L103-V223 HydrophobicContact CD2-CB 4.32Å; L103-V223 HydrophobicContact CD2-CG1 4.14Å; L218-V223 HydrophobicContact CD1-CG1 3.48Å; L218-V223 VanDerWaalsContact CD1-CG1 3.48Å; L218-V223 HydrophobicContact CG-CG1 3.99Å; V223-I232 HydrophobicContact CG1-CG2 4.09Å; V223-F255 HydrophobicContact CB-CZ 4.38Å; V223-F255 HydrophobicContact CG1-CE1 4Å; V223-F255 HydrophobicContact CG1-CZ 3.59Å; V223-F255 HydrophobicContact CG2-CE1 4.35Å; V223-F255 HydrophobicContact CG2-CE2 4.42Å; V223-F255 HydrophobicContact CG2-CZ 3.91Å
224A97.2Very high97.1Very high6 Ų623 Ų235%0.0514%0.142CC..EExtended strand (participates in β ladder)trans-151.3-174.6175.200000110.1M93 R94 P230 V231 F233M93-A224 HydrophobicContact CB-CB 3.86Å; M93-A224 HydrophobicContact CG-CB 4.14Å; M93-A224 HydrophobicContact SD-CB 3.92Å; R94-A224 WeakPolarHBondContact O-CA 3.4Å; R94-A224 WeakPolarHBondContact O-CB 3.47Å; A224-P230 WeakPolarHBondContact O-CA 3.46Å; A224-V231 HydrophobicContact CB-CG1 3.81Å; A224-V231 PolarHBondContact N-O 3.44Å; A224-V231 PolarHBondContact O-N 2.91Å; A224-F233 HydrophobicContact CB-CE1 3.74Å
225E97.6Very high97Very high7 Ų723.3 Ų23.33%0.03314%0.144CC..EExtended strand (participates in β ladder)trans-131.7146166.261179-130.800111.9R94 L96 N97 K98 Y99 G229R94-E225 HydrophobicContact CG-CG 3.55Å; R94-E225 WeakPolarHBondContact CG-O 3.48Å; R94-E225 IonicContact CZ-OE1 3.37Å; R94-E225 PolarHBondContact N-O 3.46Å; R94-E225 IonicContact NE-OE1 3.59Å; R94-E225 PolarHBondContact NE-OE1 3.15Å; R94-E225 IonicContact NH2-OE1 2.9Å; R94-E225 PolarHBondContact O-N 3.09Å; L96-E225 HydrophobicContact CD1-CB 4.22Å; N97-E225 PolarHBondContact N-OE2 2.93Å; K98-E225 PolarHBondContact N-OE2 3Å; Y99-E225 HydrophobicContact CD2-CB 3.74Å; Y99-E225 HydrophobicContact CD2-CG 4.26Å; Y99-E225 WeakPolarHBondContact CD2-OE2 3.19Å; Y99-E225 PolarHBondContact N-OE2 3.34Å; Y99-E225 VanDerWaalsContact N-OE2 3.17Å; E225-G229 WeakPolarHBondContact CA-O 3.15Å
226C97.1Very high97Very high7 Ų723.4 Ų23.45%0.04715%0.145CC..  trans-96.7-175.7167.5-66.70000109.5D228 G229C226-D228 WeakPolarHBondContact CB-OD1 3.37Å; C226-D228 PolarHBondContact O-N 3.13Å; C226-G229 PolarHBondContact N-O 2.73Å
227A96.3Very high97.1Very high83 Ų8323.4 Ų23.469%0.68615%0.145SC*.SBendtrans-59.4-34.8173.400000112.7Y99Y99-A227 PolarHBondContact OH-O 3.45Å
228D95.5Very high97.1Very high102 Ų10222.3 Ų22.355%0.54514%0.139SC..SBendtrans-101-5.7-169.263.3-27.2000115.2K69 C226K69-D228 IonicContact NZ-OD1 2.6Å; K69-D228 PolarHBondContact NZ-OD1 3.36Å; K69-D228 IonicContact NZ-OD2 3.04Å; K69-D228 PolarHBondContact NZ-OD2 3.44Å; C226-D228 WeakPolarHBondContact CB-OD1 3.37Å; C226-D228 PolarHBondContact O-N 3.13Å
229G97.8Very high97.2Very high4 Ų423 Ų234%0.04114%0.141CC..SBendtrans160.1-17717800000114.3E225 C226E225-G229 WeakPolarHBondContact CA-O 3.15Å; C226-G229 PolarHBondContact N-O 2.73Å
230P98.3Very high97.4Very high1 Ų118.5 Ų18.51%0.00613%0.125CC..EExtended strand (participates in β ladder)trans-74.1153.6175.935.1-33.1000110.3K69 L96 Q102 L103 A224K69-P230 WeakPolarHBondContact CB-O 3.3Å; L96-P230 HydrophobicContact CD1-CB 3.94Å; Q102-P230 HydrophobicContact CB-CG 4.45Å; Q102-P230 HydrophobicContact CG-CG 4.17Å; L103-P230 HydrophobicContact CB-CB 3.75Å; L103-P230 HydrophobicContact CB-CG 3.92Å; L103-P230 HydrophobicContact CD1-CB 4.05Å; L103-P230 HydrophobicContact CD1-CG 4.29Å; L103-P230 HydrophobicContact CG-CB 4.32Å; A224-P230 WeakPolarHBondContact O-CA 3.46Å
231V98.4Very high97.6Very high0 Ų017.8 Ų17.80%011%0.114CC..EExtended strand (participates in β ladder)trans-134.7141.3175.958.90000109.3K69 L91 M93 A224K69-V231 HydrophobicContact CB-CB 4.38Å; K69-V231 HydrophobicContact CB-CG2 4.5Å; K69-V231 HydrophobicContact CG-CB 4.47Å; K69-V231 HydrophobicContact CG-CG2 4.34Å; K69-V231 WeakPolarHBondContact O-CA 3.27Å; K69-V231 WeakPolarHBondContact O-CG2 3.43Å; L91-V231 HydrophobicContact CD1-CG2 3.73Å; M93-V231 HydrophobicContact CE-CG1 4.25Å; M93-V231 HydrophobicContact CE-CG2 4.3Å; M93-V231 HydrophobicContact CG-CG1 4.16Å; M93-V231 HydrophobicContact SD-CG1 4.14Å; A224-V231 HydrophobicContact CB-CG1 3.81Å; A224-V231 PolarHBondContact N-O 3.44Å; A224-V231 PolarHBondContact O-N 2.91Å
232I98.4Very high97.8Very high0 Ų017.1 Ų17.10%010%0.104CC..EExtended strand (participates in β ladder)trans-115.3147.1171.670.5-178.1000108.9V68 K69 V70 P71 L103 H215 L218 N222 V223V68-I232 HydrophobicContact CB-CD1 4.48Å; V68-I232 HydrophobicContact CG1-CD1 3.54Å; V68-I232 HydrophobicContact CG1-CG1 4.16Å; V68-I232 HydrophobicContact CG2-CD1 4.13Å; V68-I232 HydrophobicContact CG2-CG1 4.21Å; V68-I232 HydrophobicContact CG2-CG2 4.09Å; K69-I232 PolarHBondContact O-N 3.47Å; V70-I232 WeakPolarHBondContact CA-O 3.34Å; V70-I232 HydrophobicContact CG1-CD1 4.33Å; V70-I232 HydrophobicContact CG1-CG1 3.63Å; P71-I232 WeakPolarHBondContact CD-O 3.36Å; L103-I232 HydrophobicContact CD1-CG2 3.62Å; H215-I232 HydrophobicContact CB-CD1 4.38Å; L218-I232 HydrophobicContact CD1-CB 3.81Å; L218-I232 HydrophobicContact CD1-CD1 4.45Å; L218-I232 HydrophobicContact CD1-CG2 3.63Å; N222-I232 WeakPolarHBondContact O-CA 3.29Å; V223-I232 HydrophobicContact CG1-CG2 4.09Å
233F97.8Very high97.9Very high35 Ų3517 Ų1715%0.15410%0.104CC..  trans-152.7166.2-174.554.5-90.3000110.6P71 M93 H215 G221 N222 A224P71-F233 HydrophobicContact CG-CB 3.95Å; M93-F233 HydrophobicContact CE-CD1 3.97Å; M93-F233 HydrophobicContact CE-CE1 4.47Å; M93-F233 HydrophobicContact CE-CG 4.38Å; M93-F233 HydrophobicContact SD-CD1 3.84Å; M93-F233 HydrophobicContact SD-CE1 3.73Å; M93-F233 HydrophobicContact SD-CZ 4.4Å; H215-F233 PolarHBondContact CE1-O 3.45Å; H215-F233 PolarHBondContact NE2-O 3.05Å; G221-F233 WeakPolarHBondContact O-CE2 3.25Å; G221-F233 WeakPolarHBondContact O-CZ 3.5Å; N222-F233 VanDerWaalsContact CB-O 3.25Å; N222-F233 WeakPolarHBondContact CB-O 3.47Å; N222-F233 PolarHBondContact O-N 3.5Å; N222-F233 VanDerWaalsContact O-N 3.11Å; A224-F233 HydrophobicContact CB-CE1 3.74Å
234D96.9Very high97.9Very high46 Ų4616.6 Ų16.625%0.24610%0.101CC..SBendtrans59.650.1-175.7-6120.2000113.5K41K41-D234 WeakPolarHBondContact CE-OD1 3.37Å; K41-D234 IonicContact NZ-OD1 2.72Å; K41-D234 PolarHBondContact NZ-OD1 2.97Å; K41-D234 IonicContact NZ-OD2 2.64Å; K41-D234 PolarHBondContact NZ-OD2 3.24Å
235P98.1Very high97.9Very high6 Ų616.3 Ų16.34%0.03910%0.099CC..  trans-72149.9-178.831.8-37.9000113.3E55 S58 L59 I62 H215E55-P235 HydrophobicContact CG-CG 4.37Å; S58-P235 VanDerWaalsContact CB-CG 3.44Å; L59-P235 HydrophobicContact CD2-CG 3.8Å; L59-P235 HydrophobicContact CG-CG 3.77Å; I62-P235 HydrophobicContact CD1-CB 3.97Å; I62-P235 HydrophobicContact CD1-CG 4.37Å; H215-P235 WeakPolarHBondContact NE2-CA 3.26Å
236A98.1Very high98Very high1 Ų116.2 Ų16.21%0.00810%0.098CC..  trans-12153.2170.600000109.3T149 C150 C151 Q156 H215 D217T149-A236 PolarHBondContact OG1-O 3.49Å; C150-A236 WeakPolarHBondContact O-CB 2.88Å; C151-A236 HydrophobicContact CB-CB 4.25Å; Q156-A236 PolarHBondContact NE2-O 3.33Å; H215-A236 CarbonylContact O-C 3.56Å; H215-A236 VanDerWaalsContact O-C 3.24Å; H215-A236 PolarHBondContact O-N 3.39Å; D217-A236 HydrophobicContact CB-CB 4.08Å
237S98.6Very high98Very high0 Ų015.9 Ų15.90%010%0.096CC..  trans-65.8152.3-162-69.70000114.6S58 T149 L214 H215S58-S237 WeakPolarHBondContact CB-OG 3.35Å; S58-S237 WeakPolarHBondContact OG-CB 3.43Å; S58-S237 PolarHBondContact OG-N 3.5Å; T149-S237 WeakPolarHBondContact CG2-O 3.31Å; T149-S237 PolarHBondContact OG1-O 3.35Å; L214-S237 VanDerWaalsContact O-CA 3.32Å; L214-S237 WeakPolarHBondContact O-CA 3.41Å; L214-S237 WeakPolarHBondContact O-CB 3.34Å; L214-S237 PolarHBondContact O-OG 2.96Å; H215-S237 PolarHBondContact O-N 3.1Å
238F98.8Very high97.9Very high0 Ų011.9 Ų11.90%06%0.063CC..EExtended strand (participates in β ladder)trans-162.8163.5165.262.2-78.6000109F145 W164 F167 R172 L214 F244F145-F238 HydrophobicContact CB-CB 4.1Å; W164-F238 HydrophobicContact CH2-CE2 4.03Å; W164-F238 HydrophobicContact CZ3-CE2 4.07Å; F167-F238 AromaticContact CE1-CD2 3.74Å; F167-F238 HydrophobicContact CE1-CD2 3.74Å; F167-F238 AromaticContact CE1-CE2 3.84Å; F167-F238 HydrophobicContact CE1-CE2 3.84Å; F167-F238 HydrophobicContact CZ-CD2 4.06Å; R172-F238 VanDerWaalsContact NH2-CD1 3.29Å; R172-F238 VanDerWaalsContact NH2-CD2 3.32Å; L214-F238 WeakPolarHBondContact CB-O 3.49Å; L214-F238 HydrophobicContact CD1-CD2 4.22Å; L214-F238 HydrophobicContact CD1-CE1 4.02Å; L214-F238 HydrophobicContact CD1-CE2 3.64Å; L214-F238 HydrophobicContact CD1-CZ 3.52Å; L214-F238 PolarHBondContact N-O 2.88Å; F238-F244 HydrophobicContact CE1-CD1 4.3Å; F238-F244 AromaticContact CE1-CE1 3.89Å; F238-F244 HydrophobicContact CE1-CE1 3.89Å; F238-F244 HydrophobicContact CE1-CZ 4.2Å; F238-F244 AromaticContact CZ-CD1 3.93Å; F238-F244 HydrophobicContact CZ-CD1 3.93Å; F238-F244 HydrophobicContact CZ-CD2 4.32Å; F238-F244 AromaticContact CZ-CE1 3.84Å; F238-F244 HydrophobicContact CZ-CE1 3.84Å; F238-F244 HydrophobicContact CZ-CE2 4.25Å; F238-F244 HydrophobicContact CZ-CG 4.17Å; F238-F244 HydrophobicContact CZ-CZ 4Å
239Y98.9Very high97.9Very high13 Ų137.1 Ų7.15%0.0514%0.038CC..EExtended strand (participates in β ladder)trans-82.8117.1168.4-72.9-93.9000109.6N114 V140 F143 G144 F145 W160 P211 A212 L213N114-Y239 HydrophobicContact CB-CE1 4.19Å; V140-Y239 HydrophobicContact CB-CD1 3.98Å; V140-Y239 HydrophobicContact CB-CE1 3.92Å; V140-Y239 HydrophobicContact CB-CG 4.32Å; V140-Y239 HydrophobicContact CG1-CD1 4.05Å; V140-Y239 HydrophobicContact CG1-CD2 4.14Å; V140-Y239 HydrophobicContact CG1-CE1 4.4Å; V140-Y239 HydrophobicContact CG1-CE2 4.49Å; V140-Y239 HydrophobicContact CG1-CG 3.9Å; V140-Y239 HydrophobicContact CG2-CD1 4.31Å; V140-Y239 HydrophobicContact CG2-CD2 4.39Å; V140-Y239 HydrophobicContact CG2-CE1 3.83Å; V140-Y239 HydrophobicContact CG2-CE2 3.93Å; F143-Y239 VanDerWaalsContact CA-O 3.3Å; F143-Y239 WeakPolarHBondContact CA-O 3.29Å; G144-Y239 PolarHBondContact N-O 3.44Å; G144-Y239 PolarHBondContact O-N 3.27Å; F145-Y239 HydrophobicContact CD2-CD2 4Å; F145-Y239 HydrophobicContact CD2-CE2 4.16Å; F145-Y239 HydrophobicContact CE2-CD2 4.39Å; F145-Y239 HydrophobicContact CE2-CE2 4.13Å; W160-Y239 AromaticContact CH2-CD2 3.73Å; W160-Y239 HydrophobicContact CH2-CD2 3.73Å; W160-Y239 HydrophobicContact CH2-CE2 4.31Å; W160-Y239 HydrophobicContact CH2-CG 4.44Å; W160-Y239 HydrophobicContact CZ3-CD2 4.18Å; W160-Y239 HydrophobicContact CZ3-CG 4.49Å; P211-Y239 HydrophobicContact CB-CD1 4.37Å; A212-Y239 CarbonylContact O-C 3.46Å; A212-Y239 VanDerWaalsContact O-CA 3.29Å; A212-Y239 WeakPolarHBondContact O-CA 3.3Å; L213-Y239 HydrophobicContact CB-CD1 4.28Å; L213-Y239 HydrophobicContact CB-CE1 3.87Å; L213-Y239 HydrophobicContact CD1-CD2 4.5Å; L213-Y239 HydrophobicContact CD1-CE2 4.13Å
240G98.6Very high97.6Very high0 Ų09 Ų90%06%0.057CC..EExtended strand (participates in β ladder)trans-150.1-171.2-174.600000113.4A212 S242A212-G240 PolarHBondContact N-O 3.24Å; A212-G240 PolarHBondContact O-N 3.04Å; G240-S242 PolarHBondContact O-N 2.91Å
241H98.8Very high97.3Very high10 Ų1010.2 Ų10.25%0.0466%0.063CC..  trans-71.7127.2172.4-172.3-159.7000110.8W164 F204 V209 E243 F244 Y280W164-H241 HydrophobicContact CD2-CB 3.97Å; W164-H241 HydrophobicContact CH2-CB 4.05Å; W164-H241 VanDerWaalsContact CH2-N 3.29Å; W164-H241 HydrophobicContact CZ2-CB 3.42Å; W164-H241 VanDerWaalsContact CZ2-CB 3.42Å; F204-H241 AromaticContact CE1-ND1 3.92Å; V209-H241 HydrophobicContact CG1-CB 3.6Å; H241-E243 IonicContact CE1-OE1 2.73Å; H241-E243 IonicContact CE1-OE2 3.28Å; H241-E243 PolarHBondContact CE1-OE2 2.79Å; H241-E243 VanDerWaalsContact CE1-OE2 3.24Å; H241-E243 IonicContact ND1-OE2 2.67Å; H241-E243 PolarHBondContact O-N 3.05Å; H241-E243 VanDerWaalsContact O-N 3.09Å; H241-F244 WeakPolarHBondContact O-CB 3.44Å; H241-F244 PolarHBondContact O-N 3.25Å; H241-Y280 WeakPolarHBondContact CB-OH 3.22Å; H241-Y280 AromaticContact ND1-CE2 3.82Å; H241-Y280 AromaticContact ND1-CZ 3.69Å; H241-Y280 PolarHBondContact ND1-OH 3.5Å
242S98.4Very high96.7Very high18 Ų1813.4 Ų13.413%0.1268%0.077CC..THydrogen-bonded Turntrans-53.8-30.7-178.469.80000115G240 F244 E245G240-S242 PolarHBondContact O-N 2.91Å; S242-F244 PolarHBondContact O-N 2.71Å; S242-E245 PolarHBondContact O-N 3.2Å
243E98.4Very high96.1Very high9 Ų915.4 Ų15.44%0.04210%0.098CC..Hα-helixtrans-65.9-19.6177.5-67.2-177.7179.700113.4H241 E245 L246 F273 R276 Y280H241-E243 IonicContact CE1-OE1 2.73Å; H241-E243 IonicContact CE1-OE2 3.28Å; H241-E243 PolarHBondContact CE1-OE2 2.79Å; H241-E243 VanDerWaalsContact CE1-OE2 3.24Å; H241-E243 IonicContact ND1-OE2 2.67Å; H241-E243 PolarHBondContact O-N 3.05Å; H241-E243 VanDerWaalsContact O-N 3.09Å; E243-E245 VanDerWaalsContact C-N 3.3Å; E243-E245 PolarHBondContact O-N 2.77Å; E243-L246 PolarHBondContact O-N 3.04Å; E243-F273 HydrophobicContact CB-CD2 4.49Å; E243-F273 HydrophobicContact CB-CE2 4.24Å; E243-F273 HydrophobicContact CG-CD2 3.88Å; E243-F273 HydrophobicContact CG-CE2 3.96Å; E243-R276 IonicContact OE1-CZ 3.46Å; E243-R276 IonicContact OE1-NE 2.93Å; E243-R276 IonicContact OE1-NH2 2.84Å; E243-R276 PolarHBondContact OE1-NH2 2.84Å; E243-R276 WeakPolarHBondContact OE2-CB 3.34Å; E243-R276 IonicContact OE2-CZ 3.03Å; E243-R276 IonicContact OE2-NE 3.65Å; E243-R276 PolarHBondContact OE2-NE 2.83Å; E243-R276 IonicContact OE2-NH2 3.43Å; E243-R276 PolarHBondContact OE2-NH2 2.87Å; E243-Y280 HydrophobicContact CB-CD2 4.21Å; E243-Y280 HydrophobicContact CB-CE2 3.74Å
244F98.5Very high95.6Very high0 Ų016.2 Ų16.20%012%0.116CC..Hα-helixtrans-56.7-44.1177.5175.9-87000111.7Y168 L214 F238 H241 S242 L246 A247 Y280 F283 H284Y168-F244 AromaticContact CE2-CD2 3.83Å; Y168-F244 HydrophobicContact CE2-CD2 3.83Å; Y168-F244 AromaticContact CE2-CE2 3.88Å; Y168-F244 HydrophobicContact CE2-CE2 3.88Å; L214-F244 HydrophobicContact CD1-CB 3.9Å; L214-F244 HydrophobicContact CD1-CD1 3.82Å; L214-F244 HydrophobicContact CD1-CG 4.08Å; F238-F244 HydrophobicContact CE1-CD1 4.3Å; F238-F244 AromaticContact CE1-CE1 3.89Å; F238-F244 HydrophobicContact CE1-CE1 3.89Å; F238-F244 HydrophobicContact CE1-CZ 4.2Å; F238-F244 AromaticContact CZ-CD1 3.93Å; F238-F244 HydrophobicContact CZ-CD1 3.93Å; F238-F244 HydrophobicContact CZ-CD2 4.32Å; F238-F244 AromaticContact CZ-CE1 3.84Å; F238-F244 HydrophobicContact CZ-CE1 3.84Å; F238-F244 HydrophobicContact CZ-CE2 4.25Å; F238-F244 HydrophobicContact CZ-CG 4.17Å; F238-F244 HydrophobicContact CZ-CZ 4Å; H241-F244 WeakPolarHBondContact O-CB 3.44Å; H241-F244 PolarHBondContact O-N 3.25Å; S242-F244 PolarHBondContact O-N 2.71Å; F244-L246 VanDerWaalsContact C-N 3.27Å; F244-L246 PolarHBondContact O-N 2.6Å; F244-A247 VanDerWaalsContact O-CB 3.32Å; F244-A247 WeakPolarHBondContact O-CB 3.32Å; F244-A247 PolarHBondContact O-N 3.04Å; F244-Y280 HydrophobicContact CB-CD1 4.17Å; F244-Y280 HydrophobicContact CB-CE1 4.33Å; F244-Y280 HydrophobicContact CB-CG 4.31Å; F244-Y280 AromaticContact CD2-CD1 3.63Å; F244-Y280 HydrophobicContact CD2-CD1 3.63Å; F244-Y280 HydrophobicContact CD2-CE1 4.2Å; F244-Y280 HydrophobicContact CD2-CG 4.2Å; F244-Y280 HydrophobicContact CG-CD1 4.36Å; F244-F283 HydrophobicContact CE2-CB 4.43Å; F244-F283 AromaticContact CE2-CD1 3.7Å; F244-F283 HydrophobicContact CE2-CD1 3.7Å; F244-F283 HydrophobicContact CE2-CE1 4.2Å; F244-F283 HydrophobicContact CE2-CG 4.13Å; F244-F283 AromaticContact CZ-CD1 3.56Å; F244-F283 HydrophobicContact CZ-CD1 3.56Å; F244-F283 AromaticContact CZ-CE1 3.68Å; F244-F283 HydrophobicContact CZ-CE1 3.68Å; F244-F283 HydrophobicContact CZ-CG 4.42Å; F244-H284 AromaticContact CE1-CE1 3.81Å; F244-H284 AromaticContact CE1-NE2 3.72Å; F244-H284 AromaticContact CE2-NE2 3.92Å; F244-H284 AromaticContact CZ-CE1 3.56Å; F244-H284 AromaticContact CZ-NE2 3.44Å; F244-H284 WeakPolarHBondContact CZ-NE2 3Å
245E97.6Very high95.5Very high0 Ų015.2 Ų15.20%011%0.11CC..Hα-helixtrans-64.3-33.7-176.7-156.570-109.500112.5L107 L214 H215 G216 L218 S242 E243 A247 S249L107-E245 HydrophobicContact CD2-CG 4.32Å; L214-E245 WeakPolarHBondContact CB-OE2 3.45Å; L214-E245 HydrophobicContact CD2-CB 4.46Å; H215-E245 WeakPolarHBondContact CA-OE2 3.44Å; H215-E245 WeakPolarHBondContact CB-OE2 3.29Å; H215-E245 PolarHBondContact N-OE2 3.06Å; G216-E245 PolarHBondContact N-OE1 3.33Å; G216-E245 PolarHBondContact N-OE2 3.11Å; L218-E245 HydrophobicContact CB-CG 3.78Å; L218-E245 WeakPolarHBondContact CB-OE1 3.21Å; L218-E245 HydrophobicContact CD2-CG 3.88Å; L218-E245 HydrophobicContact CG-CG 4.5Å; L218-E245 PolarHBondContact N-OE1 2.91Å; S242-E245 PolarHBondContact O-N 3.2Å; E243-E245 VanDerWaalsContact C-N 3.3Å; E243-E245 PolarHBondContact O-N 2.77Å; E245-A247 PolarHBondContact O-N 3.03Å; E245-S249 PolarHBondContact O-N 2.95Å
246L97.8Very high95.4Very high5 Ų518.2 Ų18.23%0.02613%0.125CC..Hα-helixtrans-66.4-25.8-178.1-61.4-179000111.8E243 F244 S249 G250 F259 Y260 Y263 F273E243-L246 PolarHBondContact O-N 3.04Å; F244-L246 VanDerWaalsContact C-N 3.27Å; F244-L246 PolarHBondContact O-N 2.6Å; L246-S249 WeakPolarHBondContact CA-OG 3.37Å; L246-S249 PolarHBondContact O-OG 2.77Å; L246-G250 PolarHBondContact O-N 2.64Å; L246-F259 HydrophobicContact CD2-CE1 4.45Å; L246-Y260 HydrophobicContact CD2-CD1 4.44Å; L246-Y260 HydrophobicContact CD2-CE1 4.33Å; L246-Y263 HydrophobicContact CD1-CD1 4.13Å; L246-Y263 HydrophobicContact CD1-CE1 3.68Å; L246-Y263 HydrophobicContact CD2-CD1 4.06Å; L246-Y263 HydrophobicContact CD2-CD2 4.46Å; L246-Y263 HydrophobicContact CD2-CE1 4.01Å; L246-Y263 HydrophobicContact CD2-CE2 4.39Å; L246-Y263 HydrophobicContact CD2-CG 4.3Å; L246-Y263 HydrophobicContact CG-CE1 4.21Å; L246-F273 HydrophobicContact CB-CZ 4.33Å; L246-F273 HydrophobicContact CD1-CE2 3.74Å; L246-F273 HydrophobicContact CD1-CZ 3.86Å
247A97.1Very high95.3Very high0 Ų024.5 Ų24.50%016%0.159CC..Hα-helixtrans-64.2-54.5179.100000112.4F244 E245 G250 M251 N277 Q281F244-A247 VanDerWaalsContact O-CB 3.32Å; F244-A247 WeakPolarHBondContact O-CB 3.32Å; F244-A247 PolarHBondContact O-N 3.04Å; E245-A247 PolarHBondContact O-N 3.03Å; A247-G250 PolarHBondContact O-N 3.13Å; A247-M251 WeakPolarHBondContact O-CG 3.44Å; A247-N277 VanDerWaalsContact CA-OD1 3.29Å; A247-N277 WeakPolarHBondContact CA-OD1 3.16Å; A247-N277 PolarHBondContact N-OD1 3.4Å; A247-Q281 HydrophobicContact CB-CG 3.82Å
248I95.8Very high95.2Very high0 Ų026.9 Ų26.90%018%0.175CC..Hα-helixtrans-70-35.4-178.4-157.8-172.7000112.1D217 W219 G250 M251 F252 H284D217-I248 WeakPolarHBondContact OD1-CD1 3.28Å; W219-I248 HydrophobicContact CB-CD1 4.05Å; W219-I248 HydrophobicContact CB-CG1 4.08Å; W219-I248 HydrophobicContact CG-CD1 4.42Å; I248-G250 PolarHBondContact O-N 3.08Å; I248-G250 VanDerWaalsContact O-N 3.14Å; I248-M251 PolarHBondContact O-N 3.4Å; I248-F252 HydrophobicContact CG1-CD2 4.39Å; I248-F252 HydrophobicContact CG1-CE2 4.29Å; I248-H284 WeakPolarHBondContact CD1-ND1 3.43Å; I248-H284 HydrophobicContact CG1-CB 4.41Å
249S94.7Very high95.2Very high1 Ų126.9 Ų26.91%0.00718%0.175CC..Hα-helixtrans-57-31.7175.377.30000112L218 E245 L246 F255 Y260L218-S249 WeakPolarHBondContact O-CA 3.37Å; E245-S249 PolarHBondContact O-N 2.95Å; L246-S249 WeakPolarHBondContact CA-OG 3.37Å; L246-S249 PolarHBondContact O-OG 2.77Å; S249-F255 WeakPolarHBondContact O-CD2 3.3Å; S249-Y260 VanDerWaalsContact C-OH 3.25Å; S249-Y260 PolarHBondContact O-OH 2.88Å; S249-Y260 PolarHBondContact OG-OH 2.75Å
250G92.6Very high95.2Very high44 Ų4428.9 Ų28.945%0.45418%0.183SC..THydrogen-bonded Turntrans-86.2-4.9179.200000115.5L246 A247 I248 Y260L246-G250 PolarHBondContact O-N 2.64Å; A247-G250 PolarHBondContact O-N 3.13Å; I248-G250 PolarHBondContact O-N 3.08Å; I248-G250 VanDerWaalsContact O-N 3.14Å; G250-Y260 WeakPolarHBondContact CA-OH 3.41Å; G250-Y260 PolarHBondContact N-OH 3.23Å
251M91.1Very high95.2Very high26 Ų2632.2 Ų32.213%0.12821%0.206CC..THydrogen-bonded Turntrans-92.8-30.3-170.4-77.9174.959.300114.9A247 I248 Q281 H284 Y285A247-M251 WeakPolarHBondContact O-CG 3.44Å; I248-M251 PolarHBondContact O-N 3.4Å; M251-Q281 HydrophobicContact CG-CG 3.94Å; M251-Q281 HydrophobicContact SD-CB 3.73Å; M251-Q281 HydrophobicContact SD-CG 3.64Å; M251-H284 HydrophobicContact CE-CB 3.73Å; M251-H284 HydrophobicContact SD-CB 3.75Å; M251-Y285 HydrophobicContact CE-CD1 3.87Å; M251-Y285 HydrophobicContact CE-CD2 3.5Å; M251-Y285 VanDerWaalsContact CE-CD2 3.5Å; M251-Y285 HydrophobicContact CE-CE1 3.78Å; M251-Y285 HydrophobicContact CE-CE2 3.39Å; M251-Y285 HydrophobicContact CE-CG 3.74Å; M251-Y285 HydrophobicContact SD-CD2 4.32Å; M251-Y285 HydrophobicContact SD-CE2 4.09Å
252F86.9Confident95.2Very high67 Ų6731.9 Ų31.929%0.29421%0.205SC..SBendtrans-130.821.5-168.3-54.8-61.9000113.8W219 I248 H288W219-F252 HydrophobicContact CB-CD2 4.1Å; W219-F252 HydrophobicContact CE3-CB 3.8Å; W219-F252 HydrophobicContact CE3-CD2 4.31Å; W219-F252 HydrophobicContact CE3-CG 4.3Å; W219-F252 HydrophobicContact CZ3-CB 4.49Å; I248-F252 HydrophobicContact CG1-CD2 4.39Å; I248-F252 HydrophobicContact CG1-CE2 4.29Å; F252-H288 AromaticContact CE2-CE1 3.56Å; F252-H288 AromaticContact CE2-NE2 3.51Å; F252-H288 AromaticContact CZ-CD2 3.74Å; F252-H288 AromaticContact CZ-CE1 3.63Å; F252-H288 AromaticContact CZ-NE2 3.32Å; F252-H288 VanDerWaalsContact CZ-NE2 3.32Å; F252-H288 WeakPolarHBondContact CZ-NE2 3.06Å
253G85.4Confident95.2Very high43 Ų4331.1 Ų31.144%0.44320%0.2SC..SBendtrans68.9-170.3-176.900000113.1G220G220-G253 PolarHBondContact N-O 3.01Å
254G86.6Confident95.2Very high51 Ų5132.3 Ų32.353%0.52621%0.205SC..  trans94.8-13.2-179.200000115.1
255F94.9Very high95.2Very high25 Ų2538.5 Ų38.511%0.1124%0.239CC..  trans-121.2137.6178.3-57.4-92.5000110.6L103 L218 V223 S249 F259 Y260L103-F255 HydrophobicContact CD2-CE1 3.9Å; L218-F255 HydrophobicContact CD2-CE1 4.45Å; L218-F255 HydrophobicContact CD2-CZ 4.39Å; L218-F255 HydrophobicContact CG-CE1 4.49Å; L218-F255 HydrophobicContact CG-CZ 3.99Å; L218-F255 WeakPolarHBondContact O-CE2 3.38Å; L218-F255 WeakPolarHBondContact O-CZ 3.3Å; V223-F255 HydrophobicContact CB-CZ 4.38Å; V223-F255 HydrophobicContact CG1-CE1 4Å; V223-F255 HydrophobicContact CG1-CZ 3.59Å; V223-F255 HydrophobicContact CG2-CE1 4.35Å; V223-F255 HydrophobicContact CG2-CE2 4.42Å; V223-F255 HydrophobicContact CG2-CZ 3.91Å; S249-F255 WeakPolarHBondContact O-CD2 3.3Å; F255-F259 HydrophobicContact CB-CD1 3.98Å; F255-F259 HydrophobicContact CB-CE1 4.46Å; F255-F259 HydrophobicContact CB-CG 4.4Å; F255-F259 AromaticContact CD1-CD1 3.68Å; F255-F259 HydrophobicContact CD1-CD1 3.68Å; F255-F259 AromaticContact CD1-CD2 3.8Å; F255-F259 HydrophobicContact CD1-CD2 3.8Å; F255-F259 AromaticContact CD1-CE1 3.67Å; F255-F259 HydrophobicContact CD1-CE1 3.67Å; F255-F259 AromaticContact CD1-CE2 3.81Å; F255-F259 HydrophobicContact CD1-CE2 3.81Å; F255-F259 AromaticContact CD1-CG 3.74Å; F255-F259 HydrophobicContact CD1-CG 3.74Å; F255-F259 AromaticContact CD1-CZ 3.73Å; F255-F259 HydrophobicContact CD1-CZ 3.73Å; F255-F259 HydrophobicContact CE1-CD2 4.28Å; F255-F259 HydrophobicContact CE1-CE1 4.29Å; F255-F259 AromaticContact CE1-CE2 3.93Å; F255-F259 HydrophobicContact CE1-CE2 3.93Å; F255-F259 AromaticContact CE1-CZ 3.91Å; F255-F259 HydrophobicContact CE1-CZ 3.91Å; F255-F259 HydrophobicContact CG-CD1 4.18Å; F255-F259 HydrophobicContact CG-CE1 4.27Å; F255-Y260 HydrophobicContact CB-CE2 3.89Å
256N95Very high95.2Very high70 Ų7042 Ų4237%0.37425%0.254SS..  trans-113.7174178.969.541.4000111S100 S258 F259 Y260S100-N256 WeakPolarHBondContact CB-ND2 3.32Å; S100-N256 PolarHBondContact OG-ND2 2.67Å; S100-N256 PolarHBondContact OG-OD1 3.05Å; N256-S258 PolarHBondContact O-N 2.92Å; N256-S258 VanDerWaalsContact O-N 3.13Å; N256-S258 WeakPolarHBondContact OD1-CA 3.41Å; N256-S258 VanDerWaalsContact OD1-CB 3.32Å; N256-S258 WeakPolarHBondContact OD1-CB 3.3Å; N256-S258 PolarHBondContact OD1-N 3.23Å; N256-S258 PolarHBondContact OD1-OG 2.84Å; N256-F259 WeakPolarHBondContact O-CB 3.24Å; N256-F259 PolarHBondContact O-N 3.45Å; N256-F259 VanDerWaalsContact O-N 3.09Å; N256-F259 PolarHBondContact OD1-N 3.5Å; N256-Y260 WeakPolarHBondContact O-CD2 3.36Å; N256-Y260 PolarHBondContact O-N 2.98Å
257N96.4Very high95.2Very high132 Ų13243.1 Ų43.171%0.70626%0.259SS*.Hα-helixtrans-58.2-29.9-177.2-69.4-12.6000113.6F259 Y260 S261N257-F259 VanDerWaalsContact C-N 3.29Å; N257-F259 PolarHBondContact O-N 2.87Å; N257-Y260 PolarHBondContact O-N 2.99Å; N257-S261 WeakPolarHBondContact O-CB 3.5Å; N257-S261 PolarHBondContact O-N 3.44Å; N257-S261 PolarHBondContact O-OG 3.26Å; N257-S261 VanDerWaalsContact O-OG 3.09Å
258S97.8Very high95.2Very high50 Ų5047.6 Ų47.635%0.3529%0.289SS..Hα-helixtrans-65.8-33179.376.10000112.6N256 A262N256-S258 PolarHBondContact O-N 2.92Å; N256-S258 VanDerWaalsContact O-N 3.13Å; N256-S258 WeakPolarHBondContact OD1-CA 3.41Å; N256-S258 VanDerWaalsContact OD1-CB 3.32Å; N256-S258 WeakPolarHBondContact OD1-CB 3.3Å; N256-S258 PolarHBondContact OD1-N 3.23Å; N256-S258 PolarHBondContact OD1-OG 2.84Å; S258-A262 VanDerWaalsContact O-CB 3.27Å; S258-A262 WeakPolarHBondContact O-CB 3.46Å; S258-A262 PolarHBondContact O-N 3.42Å
259F98.5Very high95.2Very high0 Ų052.9 Ų52.90%031%0.313CS..Hα-helixtrans-64.6-52.8171.8165.8-92.3000110.9L103 G104 L107 L246 F255 N256 N257 S261 A262 Y263L103-F259 HydrophobicContact CB-CD2 4.15Å; L103-F259 HydrophobicContact CB-CE2 4.47Å; L103-F259 HydrophobicContact CD2-CD2 4.23Å; L103-F259 HydrophobicContact CD2-CE2 4.18Å; L103-F259 HydrophobicContact CG-CD2 4Å; L103-F259 HydrophobicContact CG-CE2 3.86Å; G104-F259 VanDerWaalsContact CA-CD2 3.41Å; G104-F259 VanDerWaalsContact N-CD2 3.31Å; L107-F259 HydrophobicContact CB-CE2 4.48Å; L107-F259 HydrophobicContact CD2-CE2 3.93Å; L107-F259 HydrophobicContact CD2-CZ 3.53Å; L246-F259 HydrophobicContact CD2-CE1 4.45Å; F255-F259 HydrophobicContact CB-CD1 3.98Å; F255-F259 HydrophobicContact CB-CE1 4.46Å; F255-F259 HydrophobicContact CB-CG 4.4Å; F255-F259 AromaticContact CD1-CD1 3.68Å; F255-F259 HydrophobicContact CD1-CD1 3.68Å; F255-F259 AromaticContact CD1-CD2 3.8Å; F255-F259 HydrophobicContact CD1-CD2 3.8Å; F255-F259 AromaticContact CD1-CE1 3.67Å; F255-F259 HydrophobicContact CD1-CE1 3.67Å; F255-F259 AromaticContact CD1-CE2 3.81Å; F255-F259 HydrophobicContact CD1-CE2 3.81Å; F255-F259 AromaticContact CD1-CG 3.74Å; F255-F259 HydrophobicContact CD1-CG 3.74Å; F255-F259 AromaticContact CD1-CZ 3.73Å; F255-F259 HydrophobicContact CD1-CZ 3.73Å; F255-F259 HydrophobicContact CE1-CD2 4.28Å; F255-F259 HydrophobicContact CE1-CE1 4.29Å; F255-F259 AromaticContact CE1-CE2 3.93Å; F255-F259 HydrophobicContact CE1-CE2 3.93Å; F255-F259 AromaticContact CE1-CZ 3.91Å; F255-F259 HydrophobicContact CE1-CZ 3.91Å; F255-F259 HydrophobicContact CG-CD1 4.18Å; F255-F259 HydrophobicContact CG-CE1 4.27Å; N256-F259 WeakPolarHBondContact O-CB 3.24Å; N256-F259 PolarHBondContact O-N 3.45Å; N256-F259 VanDerWaalsContact O-N 3.09Å; N256-F259 PolarHBondContact OD1-N 3.5Å; N257-F259 VanDerWaalsContact C-N 3.29Å; N257-F259 PolarHBondContact O-N 2.87Å; F259-S261 PolarHBondContact O-N 3.43Å; F259-A262 PolarHBondContact O-N 2.93Å; F259-Y263 WeakPolarHBondContact O-CB 3.32Å; F259-Y263 PolarHBondContact O-N 3.29Å
260Y98.1Very high95.2Very high56 Ų5655.4 Ų55.422%0.2233%0.329CS..Hα-helixtrans-65.3-42.4-176.7-69.4-68.6000112.6L246 S249 G250 F255 N256 N257 Y263 H264L246-Y260 HydrophobicContact CD2-CD1 4.44Å; L246-Y260 HydrophobicContact CD2-CE1 4.33Å; S249-Y260 VanDerWaalsContact C-OH 3.25Å; S249-Y260 PolarHBondContact O-OH 2.88Å; S249-Y260 PolarHBondContact OG-OH 2.75Å; G250-Y260 WeakPolarHBondContact CA-OH 3.41Å; G250-Y260 PolarHBondContact N-OH 3.23Å; F255-Y260 HydrophobicContact CB-CE2 3.89Å; N256-Y260 WeakPolarHBondContact O-CD2 3.36Å; N256-Y260 PolarHBondContact O-N 2.98Å; N257-Y260 PolarHBondContact O-N 2.99Å; Y260-Y263 PolarHBondContact O-N 3.26Å; Y260-H264 WeakPolarHBondContact O-CB 3.5Å; Y260-H264 PolarHBondContact O-CD2 3.1Å; Y260-H264 VanDerWaalsContact O-CD2 3.26Å; Y260-H264 PolarHBondContact O-N 3.49Å
261S98.3Very high95.4Very high69 Ų6958.8 Ų58.848%0.48334%0.343SS..Hα-helixtrans-59.1-49.9175.6-65.80000110.8N257 F259 Y263 H264 D265N257-S261 WeakPolarHBondContact O-CB 3.5Å; N257-S261 PolarHBondContact O-N 3.44Å; N257-S261 PolarHBondContact O-OG 3.26Å; N257-S261 VanDerWaalsContact O-OG 3.09Å; F259-S261 PolarHBondContact O-N 3.43Å; S261-Y263 VanDerWaalsContact C-N 3.34Å; S261-Y263 PolarHBondContact O-N 3.42Å; S261-H264 PolarHBondContact O-N 3.5Å; S261-D265 PolarHBondContact O-N 3.33Å
262A98.6Very high95.6Very high3 Ų359.2 Ų59.23%0.02535%0.353CS..Hα-helixtrans-69.1-30.9-177.400000113.6K101 E105 S258 F259K101-A262 HydrophobicContact CG-CB 3.65Å; E105-A262 HydrophobicContact CG-CB 3.77Å; S258-A262 VanDerWaalsContact O-CB 3.27Å; S258-A262 WeakPolarHBondContact O-CB 3.46Å; S258-A262 PolarHBondContact O-N 3.42Å; F259-A262 PolarHBondContact O-N 2.93Å
263Y98.8Very high96.1Very high2 Ų257.4 Ų57.41%0.00835%0.346CS..Hα-helixtrans-64.6-49.5169.8-179.4-83.2000110.9L107 A108 H111 L246 F259 Y260 S261 D265 K266 I267L107-Y263 HydrophobicContact CB-CD2 4.24Å; L107-Y263 HydrophobicContact CB-CE2 4.47Å; L107-Y263 HydrophobicContact CD2-CD2 4.14Å; L107-Y263 HydrophobicContact CD2-CE2 4.12Å; L107-Y263 HydrophobicContact CG-CD2 4.23Å; L107-Y263 HydrophobicContact CG-CE2 4.07Å; A108-Y263 HydrophobicContact CB-CD2 3.71Å; A108-Y263 HydrophobicContact CB-CE2 4.01Å; A108-Y263 HydrophobicContact CB-CG 4.23Å; H111-Y263 AromaticContact ND1-CE2 3.49Å; H111-Y263 WeakPolarHBondContact ND1-CE2 3.38Å; H111-Y263 AromaticContact ND1-CZ 3.58Å; H111-Y263 PolarHBondContact ND1-OH 3.42Å; L246-Y263 HydrophobicContact CD1-CD1 4.13Å; L246-Y263 HydrophobicContact CD1-CE1 3.68Å; L246-Y263 HydrophobicContact CD2-CD1 4.06Å; L246-Y263 HydrophobicContact CD2-CD2 4.46Å; L246-Y263 HydrophobicContact CD2-CE1 4.01Å; L246-Y263 HydrophobicContact CD2-CE2 4.39Å; L246-Y263 HydrophobicContact CD2-CG 4.3Å; L246-Y263 HydrophobicContact CG-CE1 4.21Å; F259-Y263 WeakPolarHBondContact O-CB 3.32Å; F259-Y263 PolarHBondContact O-N 3.29Å; Y260-Y263 PolarHBondContact O-N 3.26Å; S261-Y263 VanDerWaalsContact C-N 3.34Å; S261-Y263 PolarHBondContact O-N 3.42Å; Y263-D265 VanDerWaalsContact C-N 3.33Å; Y263-D265 PolarHBondContact O-N 3.28Å; Y263-K266 PolarHBondContact O-N 3.02Å; Y263-K266 VanDerWaalsContact O-N 3.12Å; Y263-I267 HydrophobicContact CD1-CB 4.5Å; Y263-I267 HydrophobicContact CE1-CB 3.93Å; Y263-I267 HydrophobicContact CE1-CD1 4.19Å; Y263-I267 HydrophobicContact CE1-CG2 4.32Å; Y263-I267 HydrophobicContact CE2-CD1 4.14Å; Y263-I267 PolarHBondContact O-N 3.48Å; Y263-I267 WeakPolarHBondContact OH-CD1 3.45Å
264H98.5Very high96.7Very high35 Ų3558.8 Ų58.816%0.16235%0.352CS..Hα-helixtrans-73.6-20.6-176.5-73.9-50000114.5Y260 S261 K266 I267 P268 Q269Y260-H264 WeakPolarHBondContact O-CB 3.5Å; Y260-H264 PolarHBondContact O-CD2 3.1Å; Y260-H264 VanDerWaalsContact O-CD2 3.26Å; Y260-H264 PolarHBondContact O-N 3.49Å; S261-H264 PolarHBondContact O-N 3.5Å; H264-K266 PolarHBondContact O-N 3.35Å; H264-I267 WeakPolarHBondContact CA-O 3.28Å; H264-I267 PolarHBondContact ND1-O 2.81Å; H264-I267 CarbonylContact O-C 3.35Å; H264-P268 WeakPolarHBondContact O-CA 3.27Å; H264-Q269 WeakPolarHBondContact CE1-CG 2.9Å; H264-Q269 PolarHBondContact NE2-NE2 2.83Å
265D98.5Very high97.2Very high130 Ų13060.8 Ų60.870%0.69535%0.348SS*.Hα-helixtrans-59.9-30.5168.3-72.3-19000111.6S261 Y263S261-D265 PolarHBondContact O-N 3.33Å; Y263-D265 VanDerWaalsContact C-N 3.33Å; Y263-D265 PolarHBondContact O-N 3.28Å
266K98.6Very high97.3Very high73 Ų7359.8 Ų59.832%0.31734%0.344SS..Hα-helixtrans-97.1-36.1177.1-69-175.3180179.80113.4E105 A108 D109 L112 Y263 H264E105-K266 PolarHBondContact O-NZ 3.02Å; A108-K266 HydrophobicContact CB-CB 3.73Å; A108-K266 HydrophobicContact CB-CD 3.88Å; A108-K266 HydrophobicContact CB-CG 4.38Å; D109-K266 IonicContact OD1-NZ 3.24Å; D109-K266 PolarHBondContact OD1-NZ 3.4Å; D109-K266 IonicContact OD2-NZ 2.64Å; D109-K266 PolarHBondContact OD2-NZ 2.9Å; L112-K266 HydrophobicContact CD1-CB 4.29Å; Y263-K266 PolarHBondContact O-N 3.02Å; Y263-K266 VanDerWaalsContact O-N 3.12Å; H264-K266 PolarHBondContact O-N 3.35Å
267I98.1Very high97.5Very high29 Ų2957.7 Ų57.715%0.14933%0.333CS..SBendtrans-125.587.6178.8-54.4174.3000108.7A108 H111 L112 Y263 H264A108-I267 HydrophobicContact CB-CD1 3.97Å; A108-I267 HydrophobicContact CB-CG1 4.15Å; H111-I267 HydrophobicContact CB-CD1 3.83Å; L112-I267 HydrophobicContact CD1-CD1 4.38Å; L112-I267 HydrophobicContact CD1-CG1 3.92Å; L112-I267 HydrophobicContact CD2-CD1 4.39Å; L112-I267 HydrophobicContact CD2-CG1 4.14Å; L112-I267 HydrophobicContact CG-CD1 3.92Å; L112-I267 HydrophobicContact CG-CG1 3.88Å; Y263-I267 HydrophobicContact CD1-CB 4.5Å; Y263-I267 HydrophobicContact CE1-CB 3.93Å; Y263-I267 HydrophobicContact CE1-CD1 4.19Å; Y263-I267 HydrophobicContact CE1-CG2 4.32Å; Y263-I267 HydrophobicContact CE2-CD1 4.14Å; Y263-I267 PolarHBondContact O-N 3.48Å; Y263-I267 WeakPolarHBondContact OH-CD1 3.45Å; H264-I267 WeakPolarHBondContact CA-O 3.28Å; H264-I267 PolarHBondContact ND1-O 2.81Å; H264-I267 CarbonylContact O-C 3.35Å
268P97.1Very high97.6Very high94 Ų9454.5 Ų54.561%0.6131%0.314SS*.PPolyproline II helixtrans-58.4149.1179.9-25.635.3000112.3H264 T270H264-P268 WeakPolarHBondContact O-CA 3.27Å; P268-T270 PolarHBondContact O-N 3.49Å
269Q95.8Very high97.6Very high110 Ų11052.1 Ų52.151%0.51430%0.297SS..PPolyproline II helixtrans-66.7127175.8-69.1-177.7-15.500110.9H264 F273H264-Q269 WeakPolarHBondContact CE1-CG 2.9Å; H264-Q269 PolarHBondContact NE2-NE2 2.83Å; Q269-F273 HydrophobicContact CB-CB 4.27Å; Q269-F273 HydrophobicContact CB-CG 4.31Å; Q269-F273 HydrophobicContact CG-CD1 4.16Å; Q269-F273 HydrophobicContact CG-CD2 4.4Å; Q269-F273 HydrophobicContact CG-CG 4.11Å
270T94.6Very high97.6Very high55 Ų5552.1 Ų52.134%0.33730%0.297SS..PPolyproline II helixtrans-81.5144.9174-54.20000109.9V207 P268 G272 F273 R276V207-T270 HydrophobicContact CG1-CG2 4.41Å; V207-T270 HydrophobicContact CG2-CG2 4.25Å; P268-T270 PolarHBondContact O-N 3.49Å; T270-G272 PolarHBondContact O-N 3.48Å; T270-F273 VanDerWaalsContact O-CB 3.29Å; T270-F273 WeakPolarHBondContact O-CB 3.48Å; T270-F273 PolarHBondContact O-N 3.36Å; T270-R276 PolarHBondContact O-NH2 2.92Å
271P95.6Very high97.6Very high115 Ų11551.2 Ų51.275%0.74729%0.294SS*.THydrogen-bonded Turntrans-46.3138.9172.2-30.236.5000112.8F273 R276P271-F273 VanDerWaalsContact C-N 3.34Å; P271-R276 PolarHBondContact O-NH1 3.04Å; P271-R276 PolarHBondContact O-NH2 2.7Å; P271-R276 VanDerWaalsContact O-NH2 3.12Å
272G96.4Very high97.7Very high34 Ų3447.9 Ų47.935%0.35127%0.271SS..THydrogen-bonded Turntrans83.51-17400000115.4T270 A274 Q275 R276T270-G272 PolarHBondContact O-N 3.48Å; G272-A274 VanDerWaalsContact C-N 3.29Å; G272-A274 PolarHBondContact O-N 2.86Å; G272-Q275 PolarHBondContact O-N 3.21Å; G272-Q275 VanDerWaalsContact O-N 3.13Å; G272-R276 PolarHBondContact O-N 3.18Å
273F96.9Very high97.7Very high30 Ų3047.9 Ų47.913%0.13227%0.271CS..Hα-helixtrans-47.4-47.3179.5173.7-100.7000113.3E243 L246 Q269 T270 P271 Q275 R276 N277E243-F273 HydrophobicContact CB-CD2 4.49Å; E243-F273 HydrophobicContact CB-CE2 4.24Å; E243-F273 HydrophobicContact CG-CD2 3.88Å; E243-F273 HydrophobicContact CG-CE2 3.96Å; L246-F273 HydrophobicContact CB-CZ 4.33Å; L246-F273 HydrophobicContact CD1-CE2 3.74Å; L246-F273 HydrophobicContact CD1-CZ 3.86Å; Q269-F273 HydrophobicContact CB-CB 4.27Å; Q269-F273 HydrophobicContact CB-CG 4.31Å; Q269-F273 HydrophobicContact CG-CD1 4.16Å; Q269-F273 HydrophobicContact CG-CD2 4.4Å; Q269-F273 HydrophobicContact CG-CG 4.11Å; T270-F273 VanDerWaalsContact O-CB 3.29Å; T270-F273 WeakPolarHBondContact O-CB 3.48Å; T270-F273 PolarHBondContact O-N 3.36Å; P271-F273 VanDerWaalsContact C-N 3.34Å; F273-Q275 VanDerWaalsContact C-N 3.33Å; F273-Q275 PolarHBondContact O-N 3.46Å; F273-R276 PolarHBondContact O-N 2.98Å; F273-N277 HydrophobicContact CE1-CB 4.28Å; F273-N277 HydrophobicContact CZ-CB 4.22Å; F273-N277 VanDerWaalsContact O-CB 3.3Å; F273-N277 WeakPolarHBondContact O-CB 3.38Å; F273-N277 PolarHBondContact O-N 2.83Å
274A96.9Very high97.6Very high71 Ų7147.8 Ų47.859%0.58727%0.27SS*.Hα-helixtrans-60.4-39.4-176.200000113.3G272 Q278G272-A274 VanDerWaalsContact C-N 3.29Å; G272-A274 PolarHBondContact O-N 2.86Å; A274-Q278 PolarHBondContact O-N 2.8Å; A274-Q278 VanDerWaalsContact O-N 3.14Å
275Q97.4Very high97.6Very high94 Ų9448 Ų4844%0.43927%0.27SS..Hα-helixtrans-71.7-42.9177.8-70171.9-43.800111.1F203 G272 F273 N277 Q278 L279F203-Q275 HydrophobicContact CD1-CB 3.94Å; F203-Q275 HydrophobicContact CE1-CB 4.14Å; G272-Q275 PolarHBondContact O-N 3.21Å; G272-Q275 VanDerWaalsContact O-N 3.13Å; F273-Q275 VanDerWaalsContact C-N 3.33Å; F273-Q275 PolarHBondContact O-N 3.46Å; Q275-N277 VanDerWaalsContact C-N 3.34Å; Q275-N277 PolarHBondContact O-N 3Å; Q275-Q278 PolarHBondContact O-N 2.87Å; Q275-L279 PolarHBondContact O-N 3.27Å
276R98.4Very high97.5Very high3 Ų341.9 Ų41.91%0.01124%0.237CC..Hα-helixtrans-63-40.2174.8-71.3-169-61.2-82.3-1.5111.9F203 F204 E243 T270 P271 G272 F273 Q278 L279 Y280F203-R276 HydrophobicContact CB-CG 4.07Å; F203-R276 WeakPolarHBondContact O-CD 3.36Å; F203-R276 PolarHBondContact O-NH1 2.63Å; F204-R276 VanDerWaalsContact CE1-CD 3.44Å; F204-R276 HydrophobicContact CE1-CG 4.2Å; F204-R276 HydrophobicContact CZ-CG 4.23Å; E243-R276 IonicContact OE1-CZ 3.46Å; E243-R276 IonicContact OE1-NE 2.93Å; E243-R276 IonicContact OE1-NH2 2.84Å; E243-R276 PolarHBondContact OE1-NH2 2.84Å; E243-R276 WeakPolarHBondContact OE2-CB 3.34Å; E243-R276 IonicContact OE2-CZ 3.03Å; E243-R276 IonicContact OE2-NE 3.65Å; E243-R276 PolarHBondContact OE2-NE 2.83Å; E243-R276 IonicContact OE2-NH2 3.43Å; E243-R276 PolarHBondContact OE2-NH2 2.87Å; T270-R276 PolarHBondContact O-NH2 2.92Å; P271-R276 PolarHBondContact O-NH1 3.04Å; P271-R276 PolarHBondContact O-NH2 2.7Å; P271-R276 VanDerWaalsContact O-NH2 3.12Å; G272-R276 PolarHBondContact O-N 3.18Å; F273-R276 PolarHBondContact O-N 2.98Å; R276-Q278 VanDerWaalsContact C-N 3.34Å; R276-Q278 PolarHBondContact O-N 2.87Å; R276-L279 CarbonylContact O-C 3.55Å; R276-L279 WeakPolarHBondContact O-CA 3.43Å; R276-L279 WeakPolarHBondContact O-CB 3.46Å; R276-L279 PolarHBondContact O-N 2.93Å; R276-L279 VanDerWaalsContact O-N 3.09Å; R276-Y280 HydrophobicContact CB-CD2 4.44Å; R276-Y280 HydrophobicContact CB-CE2 4.03Å; R276-Y280 WeakPolarHBondContact O-CD2 3.39Å; R276-Y280 PolarHBondContact O-N 2.82Å
277N98.3Very high97.5Very high27 Ų2738.6 Ų38.614%0.14422%0.223CC..Hα-helixtrans-59.8-43.8174.6-171.572.4000111.4A247 F273 Q275 L279 Y280 Q281A247-N277 VanDerWaalsContact CA-OD1 3.29Å; A247-N277 WeakPolarHBondContact CA-OD1 3.16Å; A247-N277 PolarHBondContact N-OD1 3.4Å; F273-N277 HydrophobicContact CE1-CB 4.28Å; F273-N277 HydrophobicContact CZ-CB 4.22Å; F273-N277 VanDerWaalsContact O-CB 3.3Å; F273-N277 WeakPolarHBondContact O-CB 3.38Å; F273-N277 PolarHBondContact O-N 2.83Å; Q275-N277 VanDerWaalsContact C-N 3.34Å; Q275-N277 PolarHBondContact O-N 3Å; N277-L279 VanDerWaalsContact C-N 3.34Å; N277-L279 PolarHBondContact O-N 2.84Å; N277-Y280 PolarHBondContact O-N 3Å; N277-Q281 PolarHBondContact ND2-NE2 3.38Å; N277-Q281 VanDerWaalsContact O-CG 3.27Å; N277-Q281 WeakPolarHBondContact O-CG 3.41Å; N277-Q281 PolarHBondContact O-N 3.02Å
278Q98.2Very high97.3Very high65 Ų6538.4 Ų38.430%0.30422%0.221SC..Hα-helixtrans-62.1-40.1172.8-74.7-176.1-3500112.6A274 Q275 R276 Y280 Q281 L282 I303 L307A274-Q278 PolarHBondContact O-N 2.8Å; A274-Q278 VanDerWaalsContact O-N 3.14Å; Q275-Q278 PolarHBondContact O-N 2.87Å; R276-Q278 VanDerWaalsContact C-N 3.34Å; R276-Q278 PolarHBondContact O-N 2.87Å; Q278-Y280 VanDerWaalsContact C-N 3.3Å; Q278-Y280 PolarHBondContact O-N 3.33Å; Q278-Q281 PolarHBondContact O-N 3.18Å; Q278-L282 PolarHBondContact O-N 2.88Å; Q278-I303 HydrophobicContact CB-CG2 4.47Å; Q278-I303 WeakPolarHBondContact O-CG2 3.2Å; Q278-L307 HydrophobicContact CB-CD2 4Å
279L98.6Very high97.3Very high0 Ų034 Ų340%019%0.193CC..Hα-helixtrans-63.4-35.2175.3179.867.3000112.3Y168 L173 I200 F203 F204 Q275 R276 N277 L282 L307Y168-L279 HydrophobicContact CE1-CD1 4.39Å; Y168-L279 HydrophobicContact CE1-CD2 4.12Å; Y168-L279 HydrophobicContact CE1-CG 3.86Å; Y168-L279 PolarHBondContact OH-O 3.37Å; L173-L279 HydrophobicContact CD1-CD1 3.74Å; I200-L279 HydrophobicContact CD1-CD1 4.3Å; I200-L279 HydrophobicContact CG1-CD1 4.13Å; I200-L279 HydrophobicContact CG1-CD2 4.37Å; I200-L279 HydrophobicContact CG2-CD2 4.18Å; F203-L279 HydrophobicContact CD2-CD2 3.97Å; F204-L279 HydrophobicContact CE2-CD2 3.79Å; F204-L279 HydrophobicContact CZ-CD2 4.15Å; Q275-L279 PolarHBondContact O-N 3.27Å; R276-L279 CarbonylContact O-C 3.55Å; R276-L279 WeakPolarHBondContact O-CA 3.43Å; R276-L279 WeakPolarHBondContact O-CB 3.46Å; R276-L279 PolarHBondContact O-N 2.93Å; R276-L279 VanDerWaalsContact O-N 3.09Å; N277-L279 VanDerWaalsContact C-N 3.34Å; N277-L279 PolarHBondContact O-N 2.84Å; L279-L282 WeakPolarHBondContact O-CB 3.49Å; L279-L307 HydrophobicContact CB-CD1 4.17Å; L279-L307 HydrophobicContact CB-CD2 4.3Å; L279-L307 HydrophobicContact CD1-CD1 3.94Å
280Y98.7Very high97.3Very high0 Ų029.9 Ų29.90%017%0.174CC..Hα-helixtrans-73.2-39.4173.2-65.8-44000112.7W164 Y168 F204 H241 E243 F244 R276 N277 Q278 L282 F283 H284W164-Y280 AromaticContact CZ2-CE1 3.64Å; W164-Y280 HydrophobicContact CZ2-CE1 3.64Å; W164-Y280 AromaticContact CZ2-CZ 3.9Å; W164-Y280 WeakPolarHBondContact CZ2-OH 3.46Å; W164-Y280 PolarHBondContact NE1-OH 2.98Å; Y168-Y280 HydrophobicContact CD1-CE1 4.25Å; Y168-Y280 HydrophobicContact CD2-CD1 4.33Å; Y168-Y280 HydrophobicContact CD2-CE1 4.01Å; Y168-Y280 HydrophobicContact CE1-CD1 4.02Å; Y168-Y280 AromaticContact CE1-CE1 3.99Å; Y168-Y280 HydrophobicContact CE1-CE1 3.99Å; Y168-Y280 AromaticContact CE2-CD1 3.61Å; Y168-Y280 HydrophobicContact CE2-CD1 3.61Å; Y168-Y280 AromaticContact CE2-CE1 3.75Å; Y168-Y280 HydrophobicContact CE2-CE1 3.75Å; Y168-Y280 HydrophobicContact CG-CE1 4.28Å; Y168-Y280 AromaticContact CZ-CD1 3.44Å; Y168-Y280 VanDerWaalsContact CZ-CD1 3.44Å; Y168-Y280 AromaticContact CZ-CE1 3.75Å; Y168-Y280 WeakPolarHBondContact OH-CA 3.46Å; Y168-Y280 WeakPolarHBondContact OH-CD1 3.46Å; F204-Y280 VanDerWaalsContact CE1-OH 3.23Å; F204-Y280 WeakPolarHBondContact CE1-OH 3.11Å; F204-Y280 HydrophobicContact CZ-CE1 4.46Å; F204-Y280 WeakPolarHBondContact CZ-OH 3.36Å; H241-Y280 WeakPolarHBondContact CB-OH 3.22Å; H241-Y280 AromaticContact ND1-CE2 3.82Å; H241-Y280 AromaticContact ND1-CZ 3.69Å; H241-Y280 PolarHBondContact ND1-OH 3.5Å; E243-Y280 HydrophobicContact CB-CD2 4.21Å; E243-Y280 HydrophobicContact CB-CE2 3.74Å; F244-Y280 HydrophobicContact CB-CD1 4.17Å; F244-Y280 HydrophobicContact CB-CE1 4.33Å; F244-Y280 HydrophobicContact CB-CG 4.31Å; F244-Y280 AromaticContact CD2-CD1 3.63Å; F244-Y280 HydrophobicContact CD2-CD1 3.63Å; F244-Y280 HydrophobicContact CD2-CE1 4.2Å; F244-Y280 HydrophobicContact CD2-CG 4.2Å; F244-Y280 HydrophobicContact CG-CD1 4.36Å; R276-Y280 HydrophobicContact CB-CD2 4.44Å; R276-Y280 HydrophobicContact CB-CE2 4.03Å; R276-Y280 WeakPolarHBondContact O-CD2 3.39Å; R276-Y280 PolarHBondContact O-N 2.82Å; N277-Y280 PolarHBondContact O-N 3Å; Q278-Y280 VanDerWaalsContact C-N 3.3Å; Q278-Y280 PolarHBondContact O-N 3.33Å; Y280-L282 PolarHBondContact O-N 2.85Å; Y280-F283 WeakPolarHBondContact O-CB 3.27Å; Y280-F283 PolarHBondContact O-N 3.28Å; Y280-F283 VanDerWaalsContact O-N 3.14Å; Y280-H284 PolarHBondContact O-CD2 3.41Å; Y280-H284 VanDerWaalsContact O-CD2 3.29Å
281Q98.4Very high97.2Very high36 Ų3628.3 Ų28.317%0.16816%0.163CC..Hα-helixtrans-60.1-34.6172.6-70.9178.9-23.400111.9A247 M251 N277 Q278 F283 H284 Y285 I303A247-Q281 HydrophobicContact CB-CG 3.82Å; M251-Q281 HydrophobicContact CG-CG 3.94Å; M251-Q281 HydrophobicContact SD-CB 3.73Å; M251-Q281 HydrophobicContact SD-CG 3.64Å; N277-Q281 PolarHBondContact ND2-NE2 3.38Å; N277-Q281 VanDerWaalsContact O-CG 3.27Å; N277-Q281 WeakPolarHBondContact O-CG 3.41Å; N277-Q281 PolarHBondContact O-N 3.02Å; Q278-Q281 PolarHBondContact O-N 3.18Å; Q281-F283 VanDerWaalsContact C-N 3.28Å; Q281-F283 PolarHBondContact O-N 3Å; Q281-H284 PolarHBondContact O-N 2.94Å; Q281-H284 VanDerWaalsContact O-N 3.15Å; Q281-Y285 HydrophobicContact CB-CD2 4.31Å; Q281-Y285 HydrophobicContact CB-CE2 4.31Å; Q281-Y285 VanDerWaalsContact O-CD2 3.24Å; Q281-Y285 WeakPolarHBondContact O-CD2 3.37Å; Q281-Y285 PolarHBondContact O-N 3Å; Q281-I303 HydrophobicContact CB-CD1 4.21Å
282L98.6Very high97Very high0 Ų028 Ų280%015%0.15CC..Hα-helixtrans-55.2-43.3175.5179.958.8000112L173 L196 Q278 L279 Y280 H284 Y285 L286 I303 M304 L307L173-L282 HydrophobicContact CD2-CB 4.45Å; L173-L282 HydrophobicContact CD2-CD2 4.25Å; L173-L282 HydrophobicContact CD2-CG 4.13Å; L196-L282 HydrophobicContact CD2-CD2 3.61Å; Q278-L282 PolarHBondContact O-N 2.88Å; L279-L282 WeakPolarHBondContact O-CB 3.49Å; Y280-L282 PolarHBondContact O-N 2.85Å; L282-H284 VanDerWaalsContact C-N 3.35Å; L282-H284 PolarHBondContact O-N 2.82Å; L282-Y285 PolarHBondContact O-N 3.14Å; L282-L286 HydrophobicContact CD1-CD1 4Å; L282-L286 HydrophobicContact CD1-CG 3.98Å; L282-L286 HydrophobicContact CG-CD1 3.84Å; L282-L286 HydrophobicContact CG-CG 4.3Å; L282-L286 WeakPolarHBondContact O-CB 3.48Å; L282-L286 VanDerWaalsContact O-CG 3.25Å; L282-L286 WeakPolarHBondContact O-CG 3.28Å; L282-L286 PolarHBondContact O-N 3.26Å; L282-I303 HydrophobicContact CB-CG2 3.84Å; L282-I303 HydrophobicContact CD1-CB 4.44Å; L282-I303 HydrophobicContact CD1-CG2 4.3Å; L282-I303 HydrophobicContact CG-CG2 4.49Å; L282-M304 HydrophobicContact CD1-CG 3.63Å; L282-M304 HydrophobicContact CD1-SD 4.33Å; L282-M304 HydrophobicContact CD2-CG 3.74Å; L282-M304 HydrophobicContact CG-CG 4.36Å; L282-L307 HydrophobicContact CD2-CD1 4.35Å
283F98.4Very high96.7Very high2 Ų227.3 Ų27.31%0.00914%0.143CC..Hα-helixtrans-57.5-48.7176.8168.3-96.4000111.2Y168 R172 L173 Q176 F244 Y280 Q281 Y285 L286 N287Y168-F283 WeakPolarHBondContact OH-CB 3.1Å; R172-F283 HydrophobicContact CB-CD2 3.69Å; R172-F283 HydrophobicContact CB-CE2 3.87Å; R172-F283 HydrophobicContact CG-CD2 4.45Å; R172-F283 HydrophobicContact CG-CE2 4.32Å; L173-F283 HydrophobicContact CD2-CB 3.91Å; Q176-F283 HydrophobicContact CG-CD2 3.91Å; Q176-F283 HydrophobicContact CG-CE2 3.79Å; F244-F283 HydrophobicContact CE2-CB 4.43Å; F244-F283 AromaticContact CE2-CD1 3.7Å; F244-F283 HydrophobicContact CE2-CD1 3.7Å; F244-F283 HydrophobicContact CE2-CE1 4.2Å; F244-F283 HydrophobicContact CE2-CG 4.13Å; F244-F283 AromaticContact CZ-CD1 3.56Å; F244-F283 HydrophobicContact CZ-CD1 3.56Å; F244-F283 AromaticContact CZ-CE1 3.68Å; F244-F283 HydrophobicContact CZ-CE1 3.68Å; F244-F283 HydrophobicContact CZ-CG 4.42Å; Y280-F283 WeakPolarHBondContact O-CB 3.27Å; Y280-F283 PolarHBondContact O-N 3.28Å; Y280-F283 VanDerWaalsContact O-N 3.14Å; Q281-F283 VanDerWaalsContact C-N 3.28Å; Q281-F283 PolarHBondContact O-N 3Å; F283-Y285 PolarHBondContact O-N 2.89Å; F283-L286 PolarHBondContact O-N 3.37Å; F283-N287 WeakPolarHBondContact O-CB 3.33Å; F283-N287 PolarHBondContact O-N 3.43Å
284H97.5Very high96.2Very high0 Ų028.3 Ų28.30%016%0.162CC..Hα-helixtrans-67.2-37.8-178.5-63.4-71.2000112.4F244 I248 M251 Y280 Q281 L282 N287 H288F244-H284 AromaticContact CE1-CE1 3.81Å; F244-H284 AromaticContact CE1-NE2 3.72Å; F244-H284 AromaticContact CE2-NE2 3.92Å; F244-H284 AromaticContact CZ-CE1 3.56Å; F244-H284 AromaticContact CZ-NE2 3.44Å; F244-H284 WeakPolarHBondContact CZ-NE2 3Å; I248-H284 WeakPolarHBondContact CD1-ND1 3.43Å; I248-H284 HydrophobicContact CG1-CB 4.41Å; M251-H284 HydrophobicContact CE-CB 3.73Å; M251-H284 HydrophobicContact SD-CB 3.75Å; Y280-H284 PolarHBondContact O-CD2 3.41Å; Y280-H284 VanDerWaalsContact O-CD2 3.29Å; Q281-H284 PolarHBondContact O-N 2.94Å; Q281-H284 VanDerWaalsContact O-N 3.15Å; L282-H284 VanDerWaalsContact C-N 3.35Å; L282-H284 PolarHBondContact O-N 2.82Å; H284-N287 PolarHBondContact O-N 2.91Å; H284-H288 WeakPolarHBondContact O-CB 3.5Å; H284-H288 PolarHBondContact O-N 3.42Å; H284-H288 PolarHBondContact O-ND1 3.16Å
285Y97.8Very high96Very high41 Ų4128.5 Ų28.516%0.16117%0.171CC..Hα-helixtrans-66.4-38.7174.1-80.5-64.9000112.8M251 Q281 L282 F283 H288 W289 Y296 S299 S300 I303M251-Y285 HydrophobicContact CE-CD1 3.87Å; M251-Y285 HydrophobicContact CE-CD2 3.5Å; M251-Y285 VanDerWaalsContact CE-CD2 3.5Å; M251-Y285 HydrophobicContact CE-CE1 3.78Å; M251-Y285 HydrophobicContact CE-CE2 3.39Å; M251-Y285 HydrophobicContact CE-CG 3.74Å; M251-Y285 HydrophobicContact SD-CD2 4.32Å; M251-Y285 HydrophobicContact SD-CE2 4.09Å; Q281-Y285 HydrophobicContact CB-CD2 4.31Å; Q281-Y285 HydrophobicContact CB-CE2 4.31Å; Q281-Y285 VanDerWaalsContact O-CD2 3.24Å; Q281-Y285 WeakPolarHBondContact O-CD2 3.37Å; Q281-Y285 PolarHBondContact O-N 3Å; L282-Y285 PolarHBondContact O-N 3.14Å; F283-Y285 PolarHBondContact O-N 2.89Å; Y285-H288 PolarHBondContact O-N 3.36Å; Y285-W289 WeakPolarHBondContact O-CB 3.09Å; Y285-W289 PolarHBondContact O-N 3.27Å; Y285-Y296 HydrophobicContact CD1-CD1 4.11Å; Y285-S299 VanDerWaalsContact CE1-CB 3.48Å; Y285-S300 WeakPolarHBondContact CB-OG 3.26Å; Y285-I303 HydrophobicContact CD2-CD1 3.27Å; Y285-I303 HydrophobicContact CE2-CD1 3.45Å; Y285-I303 VanDerWaalsContact CE2-CD1 3.45Å; Y285-I303 HydrophobicContact CG-CD1 4.35Å
286L98.1Very high95.9Very high0 Ų027.5 Ų27.50%016%0.163CC..Hα-helixtrans-65.7-41.9172.8-68.8166.8000111.4L173 Q176 L177 V180 L282 F283 H288 W289 N290L173-L286 HydrophobicContact CD2-CD1 4.01Å; Q176-L286 HydrophobicContact CB-CB 3.82Å; Q176-L286 HydrophobicContact CB-CD1 4.25Å; Q176-L286 HydrophobicContact CG-CB 4.44Å; L177-L286 HydrophobicContact CD1-CD1 4.23Å; L177-L286 HydrophobicContact CD2-CD1 4.38Å; L177-L286 HydrophobicContact CD2-CD2 3.87Å; L177-L286 HydrophobicContact CG-CD1 3.91Å; L177-L286 HydrophobicContact CG-CD2 4.19Å; V180-L286 HydrophobicContact CG2-CD2 4.23Å; L282-L286 HydrophobicContact CD1-CD1 4Å; L282-L286 HydrophobicContact CD1-CG 3.98Å; L282-L286 HydrophobicContact CG-CD1 3.84Å; L282-L286 HydrophobicContact CG-CG 4.3Å; L282-L286 WeakPolarHBondContact O-CB 3.48Å; L282-L286 VanDerWaalsContact O-CG 3.25Å; L282-L286 WeakPolarHBondContact O-CG 3.28Å; L282-L286 PolarHBondContact O-N 3.26Å; F283-L286 PolarHBondContact O-N 3.37Å; L286-H288 PolarHBondContact O-N 3.08Å; L286-W289 HydrophobicContact CD2-CE3 4.2Å; L286-W289 WeakPolarHBondContact O-CB 3.38Å; L286-W289 PolarHBondContact O-N 3.16Å; L286-N290 PolarHBondContact O-N 2.94Å; L286-N290 PolarHBondContact O-ND2 3.09Å
287N96.9Very high95.8Very high4 Ų431 Ų312%0.02118%0.176CC..Hα-helixtrans-59-46.6174.5-168.862.4000111.1C151 Q176 F283 H284 W289 N290 H291C151-N287 PolarHBondContact O-ND2 2.89Å; C151-N287 PolarHBondContact SG-ND2 2.86Å; Q176-N287 PolarHBondContact NE2-OD1 2.75Å; F283-N287 WeakPolarHBondContact O-CB 3.33Å; F283-N287 PolarHBondContact O-N 3.43Å; H284-N287 PolarHBondContact O-N 2.91Å; N287-W289 VanDerWaalsContact C-N 3.33Å; N287-W289 PolarHBondContact O-N 3.13Å; N287-N290 PolarHBondContact O-N 2.69Å; N287-H291 PolarHBondContact ND2-CD2 3.29Å; N287-H291 VanDerWaalsContact ND2-CD2 3.28Å; N287-H291 PolarHBondContact ND2-NE2 3.09Å; N287-H291 WeakPolarHBondContact O-CB 3.38Å; N287-H291 PolarHBondContact O-CD2 2.77Å; N287-H291 PolarHBondContact O-N 3.15Å; N287-H291 PolarHBondContact OD1-NE2 3.35Å
288H95.1Very high95.8Very high25 Ų2531.8 Ų31.812%0.11619%0.191CC..Hα-helixtrans-65.1-35.7176.4-78.562.3000112.6F252 H284 Y285 L286 H291 F292 Y296F252-H288 AromaticContact CE2-CE1 3.56Å; F252-H288 AromaticContact CE2-NE2 3.51Å; F252-H288 AromaticContact CZ-CD2 3.74Å; F252-H288 AromaticContact CZ-CE1 3.63Å; F252-H288 AromaticContact CZ-NE2 3.32Å; F252-H288 VanDerWaalsContact CZ-NE2 3.32Å; F252-H288 WeakPolarHBondContact CZ-NE2 3.06Å; H284-H288 WeakPolarHBondContact O-CB 3.5Å; H284-H288 PolarHBondContact O-N 3.42Å; H284-H288 PolarHBondContact O-ND1 3.16Å; Y285-H288 PolarHBondContact O-N 3.36Å; L286-H288 PolarHBondContact O-N 3.08Å; H288-H291 PolarHBondContact O-N 2.73Å; H288-F292 HydrophobicContact CB-CD2 4.1Å; H288-F292 AromaticContact CD2-CD2 3.8Å; H288-F292 AromaticContact CD2-CE2 3.63Å; H288-F292 WeakPolarHBondContact O-CB 3.26Å; H288-F292 WeakPolarHBondContact O-CD2 3.44Å; H288-F292 PolarHBondContact O-N 3.03Å; H288-Y296 HydrophobicContact CB-CD1 3.57Å; H288-Y296 HydrophobicContact CB-CD2 3.87Å; H288-Y296 HydrophobicContact CB-CE1 3.76Å; H288-Y296 HydrophobicContact CB-CE2 4.07Å; H288-Y296 HydrophobicContact CB-CG 3.62Å; H288-Y296 AromaticContact CD2-CE1 3.78Å; H288-Y296 AromaticContact CD2-CZ 3.8Å; H288-Y296 WeakPolarHBondContact O-CD2 3.44Å
289W96.6Very high95.8Very high3 Ų329.9 Ų29.91%0.01119%0.185CC..Hα-helixtrans-61.9-47.8172.7-172.7-3.2000110.6V180 H184 D186 A189 Y285 L286 N287 H291 G293 R297V180-W289 HydrophobicContact CG1-CD2 4.24Å; V180-W289 HydrophobicContact CG1-CE3 4.07Å; V180-W289 HydrophobicContact CG1-CH2 3.49Å; V180-W289 VanDerWaalsContact CG1-CH2 3.49Å; V180-W289 HydrophobicContact CG1-CZ2 3.67Å; V180-W289 HydrophobicContact CG1-CZ3 3.71Å; V180-W289 HydrophobicContact CG2-CD2 4.06Å; V180-W289 HydrophobicContact CG2-CE3 3.98Å; V180-W289 HydrophobicContact CG2-CG 4.43Å; V180-W289 HydrophobicContact CG2-CZ3 4.39Å; H184-W289 HydrophobicContact CB-CZ2 4.43Å; H184-W289 AromaticContact CD2-CD1 3.89Å; H184-W289 AromaticContact CD2-CE2 3.89Å; H184-W289 AromaticContact CD2-NE1 3.24Å; H184-W289 PolarHBondContact CD2-NE1 3.17Å; H184-W289 AromaticContact CE1-NE1 3.86Å; H184-W289 AromaticContact CG-NE1 3.8Å; H184-W289 AromaticContact NE2-CD1 3.57Å; H184-W289 AromaticContact NE2-NE1 3.27Å; H184-W289 PolarHBondContact NE2-NE1 3.12Å; D186-W289 HydrophobicContact CB-CH2 3.81Å; D186-W289 HydrophobicContact CB-CZ2 4.12Å; A189-W289 HydrophobicContact CB-CH2 4.3Å; A189-W289 HydrophobicContact CB-CZ3 4.32Å; Y285-W289 WeakPolarHBondContact O-CB 3.09Å; Y285-W289 PolarHBondContact O-N 3.27Å; L286-W289 HydrophobicContact CD2-CE3 4.2Å; L286-W289 WeakPolarHBondContact O-CB 3.38Å; L286-W289 PolarHBondContact O-N 3.16Å; N287-W289 VanDerWaalsContact C-N 3.33Å; N287-W289 PolarHBondContact O-N 3.13Å; W289-H291 VanDerWaalsContact C-N 3.27Å; W289-H291 PolarHBondContact O-N 2.85Å; W289-G293 VanDerWaalsContact O-CA 3.27Å; W289-G293 WeakPolarHBondContact O-CA 3.16Å; W289-G293 PolarHBondContact O-N 2.82Å; W289-R297 HydrophobicContact CD2-CB 4.07Å; W289-R297 HydrophobicContact CE3-CB 4.24Å; W289-R297 HydrophobicContact CH2-CB 3.97Å; W289-R297 HydrophobicContact CH2-CG 3.52Å; W289-R297 HydrophobicContact CZ2-CB 3.77Å; W289-R297 HydrophobicContact CZ2-CG 3.66Å; W289-R297 HydrophobicContact CZ3-CB 4.19Å; W289-R297 HydrophobicContact CZ3-CG 3.98Å
290N96.6Very high95.7Very high23 Ų2329.9 Ų29.912%0.12319%0.185CC..Hα-helixtrans-65.5-28.1177.6-74.1-42.9000113.5Y153 I154 Q176 V180 L286 N287Y153-N290 PolarHBondContact OH-O 3.26Å; I154-N290 HydrophobicContact CD1-CB 3.56Å; Q176-N290 PolarHBondContact O-ND2 3.14Å; Q176-N290 PolarHBondContact OE1-ND2 3.3Å; V180-N290 VanDerWaalsContact CG2-OD1 3.31Å; V180-N290 WeakPolarHBondContact CG2-OD1 3.25Å; V180-N290 PolarHBondContact N-OD1 2.85Å; L286-N290 PolarHBondContact O-N 2.94Å; L286-N290 PolarHBondContact O-ND2 3.09Å; N287-N290 PolarHBondContact O-N 2.69Å
291H91.7Very high95.7Very high21 Ų2130.2 Ų30.210%0.09719%0.187CC..Hα-helixtrans-81.9-44.6177.3-80.2-57.9000114.2C151 Y153 I154 N287 H288 W289C151-H291 PolarHBondContact O-NE2 2.92Å; Y153-H291 AromaticContact CD1-CE1 3.5Å; Y153-H291 AromaticContact CD1-ND1 3.25Å; Y153-H291 WeakPolarHBondContact CD1-ND1 3.19Å; Y153-H291 AromaticContact CD2-CE1 3.69Å; Y153-H291 AromaticContact CD2-ND1 3.85Å; Y153-H291 HydrophobicContact CE1-CB 4.47Å; Y153-H291 AromaticContact CE1-CE1 3.61Å; Y153-H291 AromaticContact CE1-ND1 2.88Å; Y153-H291 WeakPolarHBondContact CE1-ND1 3.47Å; Y153-H291 AromaticContact CE2-CE1 3.74Å; Y153-H291 AromaticContact CE2-ND1 3.5Å; Y153-H291 AromaticContact CG-CE1 3.55Å; Y153-H291 AromaticContact CG-ND1 3.73Å; Y153-H291 AromaticContact CZ-CE1 3.7Å; Y153-H291 AromaticContact CZ-ND1 3Å; Y153-H291 PolarHBondContact N-CE1 3.3Å; Y153-H291 WeakPolarHBondContact OH-CA 3.49Å; Y153-H291 PolarHBondContact OH-ND1 2.84Å; Y153-H291 PolarHBondContact OH-O 2.84Å; I154-H291 WeakPolarHBondContact CD1-NE2 3.29Å; I154-H291 WeakPolarHBondContact CG1-CE1 3.45Å; I154-H291 PolarHBondContact N-CE1 3.34Å; N287-H291 PolarHBondContact ND2-CD2 3.29Å; N287-H291 VanDerWaalsContact ND2-CD2 3.28Å; N287-H291 PolarHBondContact ND2-NE2 3.09Å; N287-H291 WeakPolarHBondContact O-CB 3.38Å; N287-H291 PolarHBondContact O-CD2 2.77Å; N287-H291 PolarHBondContact O-N 3.15Å; N287-H291 PolarHBondContact OD1-NE2 3.35Å; H288-H291 PolarHBondContact O-N 2.73Å; W289-H291 VanDerWaalsContact C-N 3.27Å; W289-H291 PolarHBondContact O-N 2.85Å
292F90.9Very high95.7Very high110 Ų11035.2 Ų35.248%0.48220%0.204SC..Hα-helixtrans-123.3-2.7-162.8-52.2-60000113.5H288 Y296H288-F292 HydrophobicContact CB-CD2 4.1Å; H288-F292 AromaticContact CD2-CD2 3.8Å; H288-F292 AromaticContact CD2-CE2 3.63Å; H288-F292 WeakPolarHBondContact O-CB 3.26Å; H288-F292 WeakPolarHBondContact O-CD2 3.44Å; H288-F292 PolarHBondContact O-N 3.03Å; F292-Y296 HydrophobicContact CB-CD2 4.12Å; F292-Y296 HydrophobicContact CB-CE2 3.64Å; F292-Y296 AromaticContact CD2-CE2 3.92Å; F292-Y296 HydrophobicContact CD2-CE2 3.92Å; F292-Y296 HydrophobicContact CG-CE2 4.2Å
293G90.3Very high95.7Very high19 Ų1935.6 Ų35.620%0.19621%0.206CC..  trans89.5-163.8172.900000115.3W289 G295 Y296W289-G293 VanDerWaalsContact O-CA 3.27Å; W289-G293 WeakPolarHBondContact O-CA 3.16Å; W289-G293 PolarHBondContact O-N 2.82Å; G293-G295 PolarHBondContact O-N 3.3Å; G293-Y296 PolarHBondContact O-N 3.38Å
294G87.3Confident95.7Very high51 Ų5135.5 Ų35.553%0.52621%0.206SC..G310 helixtrans-63.1-11.6-161.300000117Y296 R297G294-Y296 PolarHBondContact O-N 3.39Å; G294-Y296 VanDerWaalsContact O-N 3.13Å; G294-R297 VanDerWaalsContact O-CB 3.23Å; G294-R297 WeakPolarHBondContact O-CB 3.38Å; G294-R297 PolarHBondContact O-N 2.94Å; G294-R297 VanDerWaalsContact O-N 3.07Å
295G92.1Very high95.8Very high75 Ų7540 Ų4077%0.77323%0.225SC*.G310 helixtrans-57.4-26.5175.400000113.5G293G293-G295 PolarHBondContact O-N 3.3Å
296Y95.4Very high95.8Very high72 Ų7240.6 Ų40.628%0.28223%0.231SC..G310 helixtrans-92.7-11.7179.8-64-84.3000114Y285 H288 F292 G293 G294 G298 S299 S300Y285-Y296 HydrophobicContact CD1-CD1 4.11Å; H288-Y296 HydrophobicContact CB-CD1 3.57Å; H288-Y296 HydrophobicContact CB-CD2 3.87Å; H288-Y296 HydrophobicContact CB-CE1 3.76Å; H288-Y296 HydrophobicContact CB-CE2 4.07Å; H288-Y296 HydrophobicContact CB-CG 3.62Å; H288-Y296 AromaticContact CD2-CE1 3.78Å; H288-Y296 AromaticContact CD2-CZ 3.8Å; H288-Y296 WeakPolarHBondContact O-CD2 3.44Å; F292-Y296 HydrophobicContact CB-CD2 4.12Å; F292-Y296 HydrophobicContact CB-CE2 3.64Å; F292-Y296 AromaticContact CD2-CE2 3.92Å; F292-Y296 HydrophobicContact CD2-CE2 3.92Å; F292-Y296 HydrophobicContact CG-CE2 4.2Å; G293-Y296 PolarHBondContact O-N 3.38Å; G294-Y296 PolarHBondContact O-N 3.39Å; G294-Y296 VanDerWaalsContact O-N 3.13Å; Y296-G298 VanDerWaalsContact C-N 3.34Å; Y296-G298 PolarHBondContact O-N 2.74Å; Y296-S299 PolarHBondContact O-N 3.05Å; Y296-S300 PolarHBondContact O-N 3.37Å; Y296-S300 VanDerWaalsContact O-N 3.15Å; Y296-S300 PolarHBondContact O-OG 3.47Å
297R97.3Very high95.8Very high77 Ų7740.8 Ų40.829%0.29123%0.232SC..Hα-helixtrans-51.7-50.8179.1175.6-176.3-169.4-66.3-17112D186 E188 W289 G294 S299 S300 I301D186-R297 IonicContact OD1-CZ 3.51Å; D186-R297 IonicContact OD1-NE 3.63Å; D186-R297 IonicContact OD1-NH2 3.77Å; D186-R297 PolarHBondContact OD1-NH2 2.97Å; D186-R297 IonicContact OD2-CZ 2.84Å; D186-R297 IonicContact OD2-NE 3.24Å; D186-R297 PolarHBondContact OD2-NE 3.29Å; D186-R297 IonicContact OD2-NH2 2.64Å; D186-R297 PolarHBondContact OD2-NH2 3.14Å; E188-R297 IonicContact OE2-CZ 3.89Å; E188-R297 IonicContact OE2-NH1 2.72Å; E188-R297 PolarHBondContact OE2-NH1 3.39Å; E188-R297 IonicContact OE2-NH2 3.53Å; E188-R297 PolarHBondContact OE2-NH2 3.06Å; W289-R297 HydrophobicContact CD2-CB 4.07Å; W289-R297 HydrophobicContact CE3-CB 4.24Å; W289-R297 HydrophobicContact CH2-CB 3.97Å; W289-R297 HydrophobicContact CH2-CG 3.52Å; W289-R297 HydrophobicContact CZ2-CB 3.77Å; W289-R297 HydrophobicContact CZ2-CG 3.66Å; W289-R297 HydrophobicContact CZ3-CB 4.19Å; W289-R297 HydrophobicContact CZ3-CG 3.98Å; G294-R297 VanDerWaalsContact O-CB 3.23Å; G294-R297 WeakPolarHBondContact O-CB 3.38Å; G294-R297 PolarHBondContact O-N 2.94Å; G294-R297 VanDerWaalsContact O-N 3.07Å; R297-S299 VanDerWaalsContact C-N 3.28Å; R297-S299 PolarHBondContact O-N 3.39Å; R297-S300 PolarHBondContact O-N 2.96Å; R297-S300 VanDerWaalsContact O-N 3.16Å; R297-I301 HydrophobicContact CG-CG1 4.06Å; R297-I301 WeakPolarHBondContact O-CG1 3.36Å; R297-I301 PolarHBondContact O-N 2.92Å
298G97.7Very high95.8Very high44 Ų4442.8 Ų42.845%0.45424%0.242SC..Hα-helixtrans-58.4-40.6-174.300000112.7Y296 R302Y296-G298 VanDerWaalsContact C-N 3.34Å; Y296-G298 PolarHBondContact O-N 2.74Å; G298-R302 VanDerWaalsContact O-CB 3.24Å; G298-R302 WeakPolarHBondContact O-CB 3.41Å; G298-R302 PolarHBondContact O-N 3.28Å
299S97Very high95.7Very high24 Ų2450.6 Ų50.617%0.16828%0.276CS..Hα-helixtrans-67.9-44.9176.1-680000111.9Y285 Y296 R297 R302 I303Y285-S299 VanDerWaalsContact CE1-CB 3.48Å; Y296-S299 PolarHBondContact O-N 3.05Å; R297-S299 VanDerWaalsContact C-N 3.28Å; R297-S299 PolarHBondContact O-N 3.39Å; S299-R302 PolarHBondContact O-N 3.45Å; S299-R302 PolarHBondContact OG-NH2 2.72Å; S299-I303 WeakPolarHBondContact O-CG1 3.08Å; S299-I303 PolarHBondContact O-N 3.01Å
300S98.1Very high95.7Very high0 Ų053 Ų530%029%0.289CS..Hα-helixtrans-57.9-52.8176.6-56.40000111.6Y285 Y296 R297 R302 I303 M304Y285-S300 WeakPolarHBondContact CB-OG 3.26Å; Y296-S300 PolarHBondContact O-N 3.37Å; Y296-S300 VanDerWaalsContact O-N 3.15Å; Y296-S300 PolarHBondContact O-OG 3.47Å; R297-S300 PolarHBondContact O-N 2.96Å; R297-S300 VanDerWaalsContact O-N 3.16Å; S300-R302 VanDerWaalsContact C-N 3.34Å; S300-R302 PolarHBondContact O-N 3.32Å; S300-I303 PolarHBondContact O-N 2.89Å; S300-M304 WeakPolarHBondContact O-CG 3.3Å; S300-M304 PolarHBondContact O-N 3.37Å
301I98.4Very high95.6Very high8 Ų854.6 Ų54.64%0.04130%0.298CS..Hα-helixtrans-60.4-42.7179.4-64.8-53000111.5E188 A189 L192 R297 I303 M304 K305E188-I301 HydrophobicContact CG-CD1 4.26Å; E188-I301 HydrophobicContact CG-CG2 4.28Å; A189-I301 HydrophobicContact CB-CD1 3.82Å; L192-I301 HydrophobicContact CD1-CD1 4.09Å; L192-I301 HydrophobicContact CD1-CG2 3.97Å; R297-I301 HydrophobicContact CG-CG1 4.06Å; R297-I301 WeakPolarHBondContact O-CG1 3.36Å; R297-I301 PolarHBondContact O-N 2.92Å; I301-I303 PolarHBondContact O-N 3.48Å; I301-M304 PolarHBondContact O-N 3.17Å; I301-K305 HydrophobicContact CG2-CD 4.12Å; I301-K305 HydrophobicContact CG2-CG 4.49Å; I301-K305 WeakPolarHBondContact O-CG 2.99Å; I301-K305 PolarHBondContact O-N 2.96Å
302R98.4Very high95.8Very high140 Ų14056.4 Ų56.453%0.52831%0.309SS..Hα-helixtrans-61.5-43.4178.7-179.417563.3-137.3-4.9111.7G298 S299 S300 K305 N306G298-R302 VanDerWaalsContact O-CB 3.24Å; G298-R302 WeakPolarHBondContact O-CB 3.41Å; G298-R302 PolarHBondContact O-N 3.28Å; S299-R302 PolarHBondContact O-N 3.45Å; S299-R302 PolarHBondContact OG-NH2 2.72Å; S300-R302 VanDerWaalsContact C-N 3.34Å; S300-R302 PolarHBondContact O-N 3.32Å; R302-K305 PolarHBondContact O-N 2.64Å; R302-N306 WeakPolarHBondContact O-CB 3.38Å; R302-N306 VanDerWaalsContact O-CG 3.3Å; R302-N306 PolarHBondContact O-N 3.35Å; R302-N306 PolarHBondContact O-ND2 2.81Å
303I98.3Very high96.1Very high9 Ų953.3 Ų53.35%0.04630%0.299CS..Hα-helixtrans-64.5-46.9177.6-71.2170.8000110.5Q278 Q281 L282 Y285 S299 S300 I301 K305 N306 L307Q278-I303 HydrophobicContact CB-CG2 4.47Å; Q278-I303 WeakPolarHBondContact O-CG2 3.2Å; Q281-I303 HydrophobicContact CB-CD1 4.21Å; L282-I303 HydrophobicContact CB-CG2 3.84Å; L282-I303 HydrophobicContact CD1-CB 4.44Å; L282-I303 HydrophobicContact CD1-CG2 4.3Å; L282-I303 HydrophobicContact CG-CG2 4.49Å; Y285-I303 HydrophobicContact CD2-CD1 3.27Å; Y285-I303 HydrophobicContact CE2-CD1 3.45Å; Y285-I303 VanDerWaalsContact CE2-CD1 3.45Å; Y285-I303 HydrophobicContact CG-CD1 4.35Å; S299-I303 WeakPolarHBondContact O-CG1 3.08Å; S299-I303 PolarHBondContact O-N 3.01Å; S300-I303 PolarHBondContact O-N 2.89Å; I301-I303 PolarHBondContact O-N 3.48Å; I303-K305 VanDerWaalsContact C-N 3.31Å; I303-K305 PolarHBondContact O-N 3.42Å; I303-N306 PolarHBondContact O-N 3.22Å; I303-N306 VanDerWaalsContact O-N 3.08Å; I303-L307 HydrophobicContact CG2-CD1 3.69Å; I303-L307 HydrophobicContact CG2-CG 4.21Å; I303-L307 WeakPolarHBondContact O-CG 3.26Å; I303-L307 PolarHBondContact O-N 3.07Å
304M98.6Very high96.5Very high0 Ų055.4 Ų55.40%031%0.306CS..Hα-helixtrans-57.2-44.1177.4-65.8176.686.100111.9L177 A189 L192 W193 L196 L282 S300 I301 N306 L307 L308L177-M304 HydrophobicContact CD1-CE 4.4Å; L177-M304 HydrophobicContact CD2-CE 4.23Å; A189-M304 WeakPolarHBondContact O-CE 3.35Å; L192-M304 HydrophobicContact CB-CB 4.09Å; L192-M304 HydrophobicContact CB-CE 3.68Å; L192-M304 HydrophobicContact CB-SD 4.22Å; L192-M304 HydrophobicContact CD1-CB 4.06Å; W193-M304 HydrophobicContact CB-CE 3.91Å; W193-M304 VanDerWaalsContact N-CE 3.35Å; L196-M304 HydrophobicContact CD2-CB 4.45Å; L196-M304 HydrophobicContact CD2-CE 4.4Å; L196-M304 HydrophobicContact CD2-CG 4.16Å; L282-M304 HydrophobicContact CD1-CG 3.63Å; L282-M304 HydrophobicContact CD1-SD 4.33Å; L282-M304 HydrophobicContact CD2-CG 3.74Å; L282-M304 HydrophobicContact CG-CG 4.36Å; S300-M304 WeakPolarHBondContact O-CG 3.3Å; S300-M304 PolarHBondContact O-N 3.37Å; I301-M304 PolarHBondContact O-N 3.17Å; M304-N306 PolarHBondContact O-N 2.79Å; M304-L307 PolarHBondContact O-N 3.3Å; M304-L308 WeakPolarHBondContact O-CG 2.98Å; M304-L308 PolarHBondContact O-N 2.87Å
305K98.5Very high97.1Very high94 Ų9455.7 Ų55.741%0.40929%0.291SS..Hα-helixtrans-62.9-40.3175.3-73.9178.7179.9176.60112.7E188 L192 I301 R302 I303 L308 K309E188-K305 WeakPolarHBondContact OE1-CE 3.3Å; E188-K305 IonicContact OE1-NZ 3.66Å; E188-K305 PolarHBondContact OE1-NZ 3.04Å; L192-K305 HydrophobicContact CD1-CG 3.99Å; L192-K305 HydrophobicContact CD2-CG 3.96Å; I301-K305 HydrophobicContact CG2-CD 4.12Å; I301-K305 HydrophobicContact CG2-CG 4.49Å; I301-K305 WeakPolarHBondContact O-CG 2.99Å; I301-K305 PolarHBondContact O-N 2.96Å; R302-K305 PolarHBondContact O-N 2.64Å; I303-K305 VanDerWaalsContact C-N 3.31Å; I303-K305 PolarHBondContact O-N 3.42Å; K305-L308 PolarHBondContact O-N 3.24Å; K305-K309 PolarHBondContact O-N 2.67Å
306N98.1Very high97.4Very high53 Ų5354.4 Ų54.428%0.28326%0.256SS..Hα-helixtrans-68.5-39.9179.4-76.2-17.9000112.3R302 I303 M304 L308 K309R302-N306 WeakPolarHBondContact O-CB 3.38Å; R302-N306 VanDerWaalsContact O-CG 3.3Å; R302-N306 PolarHBondContact O-N 3.35Å; R302-N306 PolarHBondContact O-ND2 2.81Å; I303-N306 PolarHBondContact O-N 3.22Å; I303-N306 VanDerWaalsContact O-N 3.08Å; M304-N306 PolarHBondContact O-N 2.79Å; N306-L308 PolarHBondContact O-N 3Å; N306-K309 PolarHBondContact O-N 3.49Å; N306-K309 PolarHBondContact OD1-NZ 2.86Å
307L98Very high97.6Very high4 Ų453 Ų532%0.02125%0.254CS..Hα-helixtrans-65.7-26.1176.4-69.3168.4000112.4L196 K199 F203 Q278 L279 L282 I303 M304L196-L307 HydrophobicContact CD1-CB 3.71Å; L196-L307 HydrophobicContact CD1-CD1 4.28Å; L196-L307 HydrophobicContact CD2-CD1 4.16Å; K199-L307 WeakPolarHBondContact CD-O 3.28Å; K199-L307 WeakPolarHBondContact CE-O 3.38Å; K199-L307 PolarHBondContact NZ-O 2.85Å; F203-L307 HydrophobicContact CE1-CD2 4.4Å; F203-L307 HydrophobicContact CZ-CB 4.2Å; F203-L307 HydrophobicContact CZ-CD2 4.04Å; Q278-L307 HydrophobicContact CB-CD2 4Å; L279-L307 HydrophobicContact CB-CD1 4.17Å; L279-L307 HydrophobicContact CB-CD2 4.3Å; L279-L307 HydrophobicContact CD1-CD1 3.94Å; L282-L307 HydrophobicContact CD2-CD1 4.35Å; I303-L307 HydrophobicContact CG2-CD1 3.69Å; I303-L307 HydrophobicContact CG2-CG 4.21Å; I303-L307 WeakPolarHBondContact O-CG 3.26Å; I303-L307 PolarHBondContact O-N 3.07Å; M304-L307 PolarHBondContact O-N 3.3Å
308L97.8Very high97.6Very high46 Ų4651 Ų5124%0.24125%0.251CS..Hα-helixtrans-82.3-16.3178-74.4173.1000114.6L192 K195 L196 K199 M304 K305 N306L192-L308 HydrophobicContact CB-CD1 4.4Å; L192-L308 HydrophobicContact CD2-CD1 3.61Å; K195-L308 HydrophobicContact CB-CD1 4Å; K195-L308 HydrophobicContact CB-CD2 3.69Å; K195-L308 HydrophobicContact CD-CD1 4.39Å; L196-L308 HydrophobicContact CB-CD2 4.22Å; L196-L308 HydrophobicContact CB-CG 4.49Å; L196-L308 HydrophobicContact CD1-CD2 4.42Å; K199-L308 HydrophobicContact CD-CD2 4.35Å; K199-L308 VanDerWaalsContact NZ-C 3.3Å; K199-L308 PolarHBondContact NZ-O 2.7Å; M304-L308 WeakPolarHBondContact O-CG 2.98Å; M304-L308 PolarHBondContact O-N 2.87Å; K305-L308 PolarHBondContact O-N 3.24Å; N306-L308 PolarHBondContact O-N 3Å
309K92.5Very high97.6Very high190 Ų19051.6 Ų51.683%0.82623%0.233SC*.  trans-66.40170.9-67.1171.2-176.7166.80110.8K199 K305 N306K199-K309 PolarHBondContact NZ-OXT 3.44Å; K305-K309 PolarHBondContact O-N 2.67Å; N306-K309 PolarHBondContact O-N 3.49Å; N306-K309 PolarHBondContact OD1-NZ 2.86Å

Retrieved 309 of 309 residues in 64.7 ms (Link to these results)

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