A0A087XUH3_POEFO Loading...

THAP domain containing 12b

AlphaFold DB , UniProt , Accession A0A087XUH3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 749 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
1M49.2Very low76.5Confident161 Ų16162.2 Ų62.279%0.79334%0.34SS*.  0131.90-73.6179.5175.700107.7N3M1-N3 PolarHBondContact O-N 3.19Å; M1-N3 VanDerWaalsContact O-N 3.11Å; M1-N3 PolarHBondContact O-OD1 3.12Å
2P54.3Low77Confident58 Ų5863.7 Ų63.738%0.37734%0.337SS..  trans-55.6116.2168.4-2333000109.3F4 H54P2-F4 PolarHBondContact O-N 3.44Å; P2-H54 WeakPolarHBondContact CD-O 3.34Å; P2-H54 HydrophobicContact CG-CB 4.39Å; P2-H54 WeakPolarHBondContact CG-O 3.25Å
3N67.8Low77.4Confident80 Ų8064.3 Ų64.343%0.42834%0.335SS..  trans-80.62.7-179.1-74.3-24.4000112.4M1 K13 S14M1-N3 PolarHBondContact O-N 3.19Å; M1-N3 VanDerWaalsContact O-N 3.11Å; M1-N3 PolarHBondContact O-OD1 3.12Å; N3-K13 CarbonylContact O-C 3.49Å; N3-K13 WeakPolarHBondContact O-CA 3.41Å; N3-K13 WeakPolarHBondContact O-CB 3.43Å; N3-S14 PolarHBondContact O-N 3.14Å
4F83.2Confident77.4Confident103 Ų10362.4 Ų62.445%0.45233%0.33SS..BIsolated β-bridgetrans-112.6155-170.4-64.5-91.5000112.3P2 R12 K13P2-F4 PolarHBondContact O-N 3.44Å; F4-R12 WeakPolarHBondContact CA-O 3.41Å; F4-K13 HydrophobicContact CD1-CD 4.46Å; F4-K13 HydrophobicContact CD1-CG 3.54Å; F4-K13 HydrophobicContact CE1-CD 3.89Å; F4-K13 HydrophobicContact CE1-CG 3.45Å; F4-K13 VanDerWaalsContact CE1-CG 3.45Å; F4-K13 HydrophobicContact CG-CG 4.2Å; F4-K13 HydrophobicContact CZ-CD 4.1Å; F4-K13 HydrophobicContact CZ-CG 4.02Å
5C88.7Confident77.2Confident7 Ų764.9 Ų64.95%0.04735%0.349CS..  trans-59.6137.9168.8-168.30000110.4A7 C10 R12 F21 R56 C58 H61C5-A7 VanDerWaalsContact C-N 3.28Å; C5-A7 PolarHBondContact O-N 3.42Å; C5-C10 HydrophobicContact CB-CB 3.88Å; C5-C10 WeakPolarHBondContact CB-SG 3.42Å; C5-C10 VanDerWaalsContact SG-SG 3.68Å; C5-R12 PolarHBondContact N-O 3.4Å; C5-F21 HydrophobicContact CB-CE1 4.12Å; C5-R56 CarbonylContact C-O 3.45Å; C5-R56 WeakPolarHBondContact CA-O 3.17Å; C5-C58 PolarHBondContact SG-N 2.81Å; C5-H61 VanDerWaalsContact SG-CD2 3.58Å
6A88.1Confident76.4Confident2 Ų270.6 Ų70.62%0.01737%0.373CS..SBendtrans-75.9-15.8178.700000113.1F24 R40 L43 Y55 R56 L57A6-F24 HydrophobicContact CB-CE2 3.89Å; A6-F24 HydrophobicContact CB-CZ 4.27Å; A6-R40 WeakPolarHBondContact O-CD 3.11Å; A6-R40 PolarHBondContact O-NH1 2.76Å; A6-L43 HydrophobicContact CB-CD1 4.47Å; A6-Y55 HydrophobicContact CB-CD1 4.13Å; A6-R56 WeakPolarHBondContact CB-O 3.32Å; A6-R56 PolarHBondContact N-O 2.93Å; A6-L57 HydrophobicContact CB-CD2 3.97Å; A6-L57 HydrophobicContact CB-CG 4.48Å
7A86.8Confident75.9Confident4 Ų468.2 Ų68.23%0.03336%0.363CS..SBendtrans-63.9141.1-179.100000111.9C5 C10 L57 H61 F86C5-A7 VanDerWaalsContact C-N 3.28Å; C5-A7 PolarHBondContact O-N 3.42Å; A7-C10 HydrophobicContact CB-CB 3.86Å; A7-C10 WeakPolarHBondContact O-CB 3.09Å; A7-C10 PolarHBondContact O-N 2.99Å; A7-L57 HydrophobicContact CB-CD2 3.71Å; A7-L57 VanDerWaalsContact N-CD2 3.29Å; A7-H61 WeakPolarHBondContact CB-CE1 3.46Å; A7-H61 WeakPolarHBondContact CB-NE2 3.45Å; A7-F86 HydrophobicContact CB-CD1 3.94Å; A7-F86 HydrophobicContact CB-CE1 3.68Å
8P81.2Confident75.8Confident26 Ų2672.9 Ų72.917%0.16939%0.389CS..THydrogen-bonded Turntrans-55.5140.7173.123.6-33.5000110.5C10 C38 F86 L88P8-C10 PolarHBondContact O-N 3.13Å; P8-C38 WeakPolarHBondContact CD-O 3.32Å; P8-C38 WeakPolarHBondContact CG-O 3.05Å; P8-F86 HydrophobicContact CG-CD1 4.03Å; P8-L88 HydrophobicContact CG-CD2 4.28Å
9N78.1Confident76.1Confident96 Ų9671.9 Ų71.951%0.51338%0.383SS..THydrogen-bonded Turntrans58.712.4179.3-52.8-36.6000116D87 S90N9-D87 PolarHBondContact ND2-O 3.19Å; N9-S90 WeakPolarHBondContact CB-OG 3.07Å; N9-S90 PolarHBondContact ND2-OG 3.46Å
10C82.8Confident76.4Confident23 Ų2369.9 Ų69.916%0.15538%0.376CS..  trans-96.3107.5177.4-168.10000111.7C5 A7 P8 R12 H61C5-C10 HydrophobicContact CB-CB 3.88Å; C5-C10 WeakPolarHBondContact CB-SG 3.42Å; C5-C10 VanDerWaalsContact SG-SG 3.68Å; A7-C10 HydrophobicContact CB-CB 3.86Å; A7-C10 WeakPolarHBondContact O-CB 3.09Å; A7-C10 PolarHBondContact O-N 2.99Å; P8-C10 PolarHBondContact O-N 3.13Å; C10-R12 VanDerWaalsContact C-N 3.29Å; C10-R12 PolarHBondContact O-N 3.15Å; C10-H61 PolarHBondContact SG-NE2 3.5Å; C10-H61 VanDerWaalsContact SG-NE2 3.36Å
11T81.7Confident77Confident124 Ų12468.1 Ų68.176%0.76137%0.365SS*.  trans-85.33.7-177.655.60000114.3
12R82.7Confident78.9Confident80 Ų8061.5 Ų61.530%0.30233%0.332SS..  trans-71.7138.6-173.6-70.6-177.1173.7160-10112.5F4 C5 C10 L19 F21F4-R12 WeakPolarHBondContact CA-O 3.41Å; C5-R12 PolarHBondContact N-O 3.4Å; C10-R12 VanDerWaalsContact C-N 3.29Å; C10-R12 PolarHBondContact O-N 3.15Å; R12-L19 VanDerWaalsContact CZ-CD1 3.43Å; R12-F21 HydrophobicContact CB-CZ 4.18Å
13K82.4Confident80.6Confident72 Ų7264.4 Ų64.431%0.31334%0.336SS..BIsolated β-bridgetrans-105.2138177.1-67.1171.9-177.4168.50112N3 F4 T15 Q16 S17N3-K13 CarbonylContact O-C 3.49Å; N3-K13 WeakPolarHBondContact O-CA 3.41Å; N3-K13 WeakPolarHBondContact O-CB 3.43Å; F4-K13 HydrophobicContact CD1-CD 4.46Å; F4-K13 HydrophobicContact CD1-CG 3.54Å; F4-K13 HydrophobicContact CE1-CD 3.89Å; F4-K13 HydrophobicContact CE1-CG 3.45Å; F4-K13 VanDerWaalsContact CE1-CG 3.45Å; F4-K13 HydrophobicContact CG-CG 4.2Å; F4-K13 HydrophobicContact CZ-CD 4.1Å; F4-K13 HydrophobicContact CZ-CG 4.02Å; K13-T15 PolarHBondContact O-N 3.31Å; K13-T15 VanDerWaalsContact O-N 3.12Å; K13-Q16 HydrophobicContact CB-CB 4.43Å; K13-Q16 PolarHBondContact O-N 3.44Å; K13-S17 WeakPolarHBondContact O-CB 3.13Å; K13-S17 PolarHBondContact O-N 2.82Å
14S76.4Confident81.8Confident38 Ų3860.6 Ų60.627%0.26632%0.315SS..THydrogen-bonded Turntrans-62.5-18.9177.8-177.60000113.5N3 R56N3-S14 PolarHBondContact O-N 3.14Å; S14-R56 PolarHBondContact OG-NH1 3.48Å
15T74.3Confident82Confident100 Ų10056.5 Ų56.561%0.61330%0.299SS*.THydrogen-bonded Turntrans-94.3-12.3-179.452.60000114.1K13K13-T15 PolarHBondContact O-N 3.31Å; K13-T15 VanDerWaalsContact O-N 3.12Å
16Q64.9Low82Confident155 Ų15564.6 Ų64.672%0.72433%0.329SS*.SBendtrans-129.414.8-172-66.7-178-27.500112.7K13K13-Q16 HydrophobicContact CB-CB 4.43Å; K13-Q16 PolarHBondContact O-N 3.44Å
17S67.2Low82Confident30 Ų3068.7 Ų68.721%0.2135%0.35CS..  trans-116.7136.6-173169.60000110.8K13 L19K13-S17 WeakPolarHBondContact O-CB 3.13Å; K13-S17 PolarHBondContact O-N 2.82Å; S17-L19 PolarHBondContact O-N 3.34Å; S17-L19 PolarHBondContact OG-N 3.11Å; S17-L19 VanDerWaalsContact OG-N 3.14Å
18D75Confident81.9Confident154 Ų15472.9 Ų72.982%0.82438%0.377SS*.SBendtrans-70.4-15.7170.958.5-30000113.2
19L80.8Confident82Confident54 Ų5476.3 Ų76.328%0.28339%0.391SS..SBendtrans-89.2148.4177.4-60.1171.4000114R12 S17 F21 K60R12-L19 VanDerWaalsContact CZ-CD1 3.43Å; S17-L19 PolarHBondContact O-N 3.34Å; S17-L19 PolarHBondContact OG-N 3.11Å; S17-L19 VanDerWaalsContact OG-N 3.14Å; L19-F21 WeakPolarHBondContact O-CD2 3.48Å; L19-K60 HydrophobicContact CD1-CB 4.24Å
20A82.6Confident82.4Confident30 Ų3073.9 Ų73.925%0.24838%0.375CS..  trans-67.5145.7172.600000112.2F22 C58 A59 T75A20-F22 HydrophobicContact CB-CE1 4.29Å; A20-F22 HydrophobicContact CB-CE2 4.37Å; A20-F22 HydrophobicContact CB-CZ 3.89Å; A20-C58 CarbonylContact O-C 3.57Å; A20-C58 WeakPolarHBondContact O-CA 3.27Å; A20-A59 HydrophobicContact CB-CB 4.49Å; A20-A59 PolarHBondContact O-N 2.79Å; A20-T75 HydrophobicContact CB-CG2 4.22Å
21F88.3Confident82.7Confident33 Ų3373 Ų7315%0.14537%0.369CS..EExtended strand (participates in β ladder)trans-115.4126.5175.6-80.1-109.7000110.3C5 R12 L19 R56 L57 C58C5-F21 HydrophobicContact CB-CE1 4.12Å; R12-F21 HydrophobicContact CB-CZ 4.18Å; L19-F21 WeakPolarHBondContact O-CD2 3.48Å; F21-R56 HydrophobicContact CB-CB 4.31Å; F21-R56 HydrophobicContact CD1-CB 4.08Å; F21-L57 CarbonylContact C-O 3.39Å; F21-L57 WeakPolarHBondContact CA-O 3.26Å; F21-C58 HydrophobicContact CD1-CB 4.23Å; F21-C58 HydrophobicContact CD2-CB 4.32Å; F21-C58 HydrophobicContact CE1-CB 3.89Å; F21-C58 HydrophobicContact CE2-CB 3.92Å; F21-C58 HydrophobicContact CG-CB 4.44Å; F21-C58 HydrophobicContact CZ-CB 3.72Å
22F89.4Confident83Confident22 Ų2273.7 Ų73.710%0.09636%0.357CS..EExtended strand (participates in β ladder)trans-105.6139.4-178.4-54.9-67.7000110.5A20 W34 R56 L57 A59 F62 V67 T75 L77A20-F22 HydrophobicContact CB-CE1 4.29Å; A20-F22 HydrophobicContact CB-CE2 4.37Å; A20-F22 HydrophobicContact CB-CZ 3.89Å; F22-W34 HydrophobicContact CB-CH2 4.15Å; F22-W34 HydrophobicContact CB-CZ3 4.47Å; F22-R56 CarbonylContact O-C 3.56Å; F22-R56 WeakPolarHBondContact O-CA 3.37Å; F22-R56 WeakPolarHBondContact O-CB 3.49Å; F22-L57 PolarHBondContact N-O 3.39Å; F22-L57 PolarHBondContact O-N 3.35Å; F22-A59 HydrophobicContact CE2-CB 3.7Å; F22-A59 HydrophobicContact CZ-CB 4.41Å; F22-F62 HydrophobicContact CD2-CD2 4.04Å; F22-F62 AromaticContact CD2-CE2 3.85Å; F22-F62 HydrophobicContact CD2-CE2 3.85Å; F22-F62 HydrophobicContact CE2-CD2 4.38Å; F22-V67 HydrophobicContact CZ-CG1 4.29Å; F22-T75 HydrophobicContact CZ-CG2 4.11Å; F22-L77 HydrophobicContact CB-CD1 3.64Å; F22-L77 HydrophobicContact CB-CG 4.44Å; F22-L77 HydrophobicContact CD1-CD1 3.85Å; F22-L77 HydrophobicContact CD1-CG 3.71Å; F22-L77 HydrophobicContact CD2-CD1 3.64Å; F22-L77 HydrophobicContact CD2-CD2 4Å; F22-L77 HydrophobicContact CD2-CG 3.79Å; F22-L77 HydrophobicContact CE1-CD1 4.42Å; F22-L77 HydrophobicContact CE1-CD2 4.43Å; F22-L77 HydrophobicContact CE1-CG 3.79Å; F22-L77 HydrophobicContact CE2-CD1 4.21Å; F22-L77 HydrophobicContact CE2-CD2 3.74Å; F22-L77 HydrophobicContact CE2-CG 3.84Å; F22-L77 HydrophobicContact CG-CD1 3.42Å; F22-L77 VanDerWaalsContact CG-CD1 3.42Å; F22-L77 HydrophobicContact CG-CD2 4.43Å; F22-L77 HydrophobicContact CG-CG 3.71Å; F22-L77 HydrophobicContact CZ-CD2 3.98Å; F22-L77 HydrophobicContact CZ-CG 3.85Å
23R90.6Very high83.2Confident119 Ų11972.3 Ų72.345%0.44936%0.355SS..EExtended strand (participates in β ladder)trans-81.1152.9174.1-63.4177.9-176.1-141.57109.4W34 N52 R56R23-W34 WeakPolarHBondContact O-CZ3 3.4Å; R23-N52 WeakPolarHBondContact CD-O 3.42Å; R23-R56 HydrophobicContact CG-CG 4.24Å
24F91.8Very high83.7Confident0 Ų069 Ų690%034%0.341CS..PPolyproline II helixtrans-56.8138.3170.1-81.5-104.8000110.5A6 W34 V35 L43 L51 N52 L57A6-F24 HydrophobicContact CB-CE2 3.89Å; A6-F24 HydrophobicContact CB-CZ 4.27Å; F24-W34 HydrophobicContact CD1-CB 3.8Å; F24-W34 HydrophobicContact CD1-CE3 4.12Å; F24-W34 HydrophobicContact CE1-CB 3.7Å; F24-W34 HydrophobicContact CE1-CE3 4.39Å; F24-W34 HydrophobicContact CG-CE3 4.2Å; F24-V35 HydrophobicContact CD1-CG2 4.22Å; F24-V35 HydrophobicContact CE1-CG2 3.83Å; F24-L43 HydrophobicContact CZ-CD1 4.17Å; F24-L51 HydrophobicContact CB-CB 3.88Å; F24-L51 HydrophobicContact CD1-CB 4.25Å; F24-L51 HydrophobicContact CD1-CD1 4.47Å; F24-L51 HydrophobicContact CG-CB 3.97Å; F24-N52 WeakPolarHBondContact O-CB 3.45Å; F24-N52 PolarHBondContact O-ND2 3.25Å; F24-L57 HydrophobicContact CE2-CD1 4.49Å; F24-L57 HydrophobicContact CE2-CG 4.22Å; F24-L57 HydrophobicContact CZ-CD1 4.26Å; F24-L57 HydrophobicContact CZ-CG 4.38Å
25P89Confident84.3Confident18 Ų1867.8 Ų67.812%0.11733%0.332CS..PPolyproline II helixtrans-56.2149.1175.6-25.935.3000112.1D27 R30 C31 W34P25-D27 VanDerWaalsContact C-N 3.33Å; P25-R30 HydrophobicContact CB-CB 4.18Å; P25-R30 HydrophobicContact CB-CG 4.25Å; P25-R30 HydrophobicContact CG-CB 4.28Å; P25-R30 HydrophobicContact CG-CG 3.86Å; P25-C31 WeakPolarHBondContact O-CB 3.49Å; P25-C31 PolarHBondContact O-SG 3.17Å; P25-W34 VanDerWaalsContact CD-CD2 3.46Å; P25-W34 HydrophobicContact CG-CD2 4.03Å; P25-W34 HydrophobicContact CG-CG 4.43Å; P25-W34 HydrophobicContact CG-CH2 4.36Å; P25-W34 HydrophobicContact CG-CZ2 3.89Å
26R87.2Confident84.9Confident177 Ų17768.3 Ų68.367%0.66833%0.327SS*.SBendtrans-80.6-20.5170.4-71.3-172.7179.9-178.6-3.8112.6P28 N52R26-P28 WeakPolarHBondContact O-CD 3.3Å; R26-N52 HydrophobicContact CG-CB 4.16Å
27D87.9Confident85.8Confident87 Ų8763.2 Ų63.247%0.46531%0.305SS..SBendtrans-62.4120172.1175.753000109.8P25 E29 R30 C31P25-D27 VanDerWaalsContact C-N 3.33Å; D27-E29 VanDerWaalsContact C-N 3.33Å; D27-E29 PolarHBondContact O-N 3.4Å; D27-R30 HydrophobicContact CB-CB 4.23Å; D27-R30 WeakPolarHBondContact OD2-CB 3.49Å; D27-R30 PolarHBondContact OD2-N 2.85Å; D27-C31 WeakPolarHBondContact O-CB 3.45Å; D27-C31 PolarHBondContact O-N 3.4Å
28P85.1Confident86.7Confident93 Ų9361.8 Ų61.860%0.60430%0.295SS*.Hα-helixtrans-59.1-40.8-174.1-26.335.4000113.6R26 C31 R32R26-P28 WeakPolarHBondContact O-CD 3.3Å; P28-C31 PolarHBondContact O-N 2.95Å; P28-R32 WeakPolarHBondContact O-CB 3.43Å; P28-R32 PolarHBondContact O-N 3.26Å
29E84.9Confident86.9Confident97 Ų9763.4 Ų63.445%0.45329%0.29SS..Hα-helixtrans-70.5-48.2-175.6-169.554.2-146.300111.1D27 C31 R32 I33D27-E29 VanDerWaalsContact C-N 3.33Å; D27-E29 PolarHBondContact O-N 3.4Å; E29-C31 VanDerWaalsContact C-N 3.28Å; E29-C31 PolarHBondContact O-N 2.77Å; E29-R32 WeakPolarHBondContact O-CB 3.31Å; E29-R32 PolarHBondContact O-N 2.88Å; E29-R32 IonicContact OE1-CZ 3.12Å; E29-R32 IonicContact OE1-NE 3.1Å; E29-R32 PolarHBondContact OE1-NE 3.31Å; E29-R32 IonicContact OE1-NH2 3.54Å; E29-R32 PolarHBondContact OE1-NH2 2.8Å; E29-R32 IonicContact OE2-NE 2.72Å; E29-I33 WeakPolarHBondContact O-CG1 3.44Å; E29-I33 PolarHBondContact O-N 2.87Å; E29-I33 VanDerWaalsContact O-N 3.14Å
30R85.7Confident87Confident46 Ų4664.2 Ų64.217%0.17429%0.289CS..Hα-helixtrans-65.6-32.7175.4-164.1-177.4170.1-171.41.1112.6P25 D27 W34 K78 D79 A81P25-R30 HydrophobicContact CB-CB 4.18Å; P25-R30 HydrophobicContact CB-CG 4.25Å; P25-R30 HydrophobicContact CG-CB 4.28Å; P25-R30 HydrophobicContact CG-CG 3.86Å; D27-R30 HydrophobicContact CB-CB 4.23Å; D27-R30 WeakPolarHBondContact OD2-CB 3.49Å; D27-R30 PolarHBondContact OD2-N 2.85Å; R30-W34 PolarHBondContact O-N 2.69Å; R30-W34 VanDerWaalsContact O-N 3.12Å; R30-K78 PolarHBondContact NH2-O 3.4Å; R30-D79 PolarHBondContact NE-O 3.16Å; R30-D79 PolarHBondContact NH1-O 3.13Å; R30-A81 PolarHBondContact NE-O 2.99Å; R30-A81 VanDerWaalsContact NE-O 3.12Å; R30-A81 PolarHBondContact NH2-O 3.35Å
31C89.3Confident87Confident4 Ų466.3 Ų66.33%0.02731%0.306CS..Hα-helixtrans-67-41175.2-165.50000111.5P25 D27 P28 E29 I33 W34 V35 A48P25-C31 WeakPolarHBondContact O-CB 3.49Å; P25-C31 PolarHBondContact O-SG 3.17Å; D27-C31 WeakPolarHBondContact O-CB 3.45Å; D27-C31 PolarHBondContact O-N 3.4Å; P28-C31 PolarHBondContact O-N 2.95Å; E29-C31 VanDerWaalsContact C-N 3.28Å; E29-C31 PolarHBondContact O-N 2.77Å; C31-I33 PolarHBondContact O-N 2.88Å; C31-W34 PolarHBondContact O-N 3.13Å; C31-V35 WeakPolarHBondContact O-CG2 3.37Å; C31-V35 PolarHBondContact O-N 3.4Å; C31-A48 HydrophobicContact CB-CB 3.96Å
32R87.8Confident86.7Confident138 Ų13867.9 Ų67.952%0.52132%0.316SS..Hα-helixtrans-56.3-48.6173.8-169.9-178.672.588.7-0.8111.1P28 E29 W34 V35 E36P28-R32 WeakPolarHBondContact O-CB 3.43Å; P28-R32 PolarHBondContact O-N 3.26Å; E29-R32 WeakPolarHBondContact O-CB 3.31Å; E29-R32 PolarHBondContact O-N 2.88Å; E29-R32 IonicContact OE1-CZ 3.12Å; E29-R32 IonicContact OE1-NE 3.1Å; E29-R32 PolarHBondContact OE1-NE 3.31Å; E29-R32 IonicContact OE1-NH2 3.54Å; E29-R32 PolarHBondContact OE1-NH2 2.8Å; E29-R32 IonicContact OE2-NE 2.72Å; R32-W34 VanDerWaalsContact C-N 3.32Å; R32-W34 PolarHBondContact O-N 2.87Å; R32-V35 PolarHBondContact O-N 3.04Å; R32-V35 VanDerWaalsContact O-N 3.13Å; R32-E36 IonicContact NH1-OE2 2.72Å; R32-E36 WeakPolarHBondContact O-CB 3.41Å; R32-E36 PolarHBondContact O-N 3.17Å
33I87.3Confident86.6Confident51 Ų5166.9 Ų66.926%0.26231%0.312SS..Hα-helixtrans-60.9-39.1177.3-62.6166.3000111.8E29 C31 N37 I82E29-I33 WeakPolarHBondContact O-CG1 3.44Å; E29-I33 PolarHBondContact O-N 2.87Å; E29-I33 VanDerWaalsContact O-N 3.14Å; C31-I33 PolarHBondContact O-N 2.88Å; I33-N37 WeakPolarHBondContact CG2-ND2 3.32Å; I33-N37 WeakPolarHBondContact O-CB 3.21Å; I33-N37 PolarHBondContact O-N 2.96Å; I33-N37 PolarHBondContact O-ND2 2.75Å; I33-I82 HydrophobicContact CG2-CB 4.29Å; I33-I82 HydrophobicContact CG2-CG2 3.79Å
34W91.9Very high86.3Confident4 Ų467.3 Ų67.32%0.01532%0.319CS..Hα-helixtrans-67.4-36.8176.5-7939.8000112.6F22 R23 F24 P25 R30 C31 R32 C38 L57 F62 L77 A81 P83F22-W34 HydrophobicContact CB-CH2 4.15Å; F22-W34 HydrophobicContact CB-CZ3 4.47Å; R23-W34 WeakPolarHBondContact O-CZ3 3.4Å; F24-W34 HydrophobicContact CD1-CB 3.8Å; F24-W34 HydrophobicContact CD1-CE3 4.12Å; F24-W34 HydrophobicContact CE1-CB 3.7Å; F24-W34 HydrophobicContact CE1-CE3 4.39Å; F24-W34 HydrophobicContact CG-CE3 4.2Å; P25-W34 VanDerWaalsContact CD-CD2 3.46Å; P25-W34 HydrophobicContact CG-CD2 4.03Å; P25-W34 HydrophobicContact CG-CG 4.43Å; P25-W34 HydrophobicContact CG-CH2 4.36Å; P25-W34 HydrophobicContact CG-CZ2 3.89Å; R30-W34 PolarHBondContact O-N 2.69Å; R30-W34 VanDerWaalsContact O-N 3.12Å; C31-W34 PolarHBondContact O-N 3.13Å; R32-W34 VanDerWaalsContact C-N 3.32Å; R32-W34 PolarHBondContact O-N 2.87Å; W34-C38 PolarHBondContact O-N 3.28Å; W34-C38 VanDerWaalsContact O-N 3.16Å; W34-C38 PolarHBondContact O-SG 3.36Å; W34-L57 HydrophobicContact CE3-CD1 3.75Å; W34-L57 HydrophobicContact CZ3-CD1 4.16Å; W34-F62 HydrophobicContact CD2-CZ 4.45Å; W34-F62 AromaticContact CE2-CE1 3.92Å; W34-F62 HydrophobicContact CE3-CZ 4.19Å; W34-F62 AromaticContact CH2-CE1 3.7Å; W34-F62 HydrophobicContact CH2-CE1 3.7Å; W34-F62 HydrophobicContact CH2-CE2 4.45Å; W34-F62 AromaticContact CH2-CZ 3.35Å; W34-F62 HydrophobicContact CH2-CZ 3.35Å; W34-F62 AromaticContact CZ2-CE1 3.45Å; W34-F62 HydrophobicContact CZ2-CE1 3.45Å; W34-F62 VanDerWaalsContact CZ2-CE1 3.45Å; W34-F62 AromaticContact CZ2-CZ 3.63Å; W34-F62 HydrophobicContact CZ2-CZ 3.63Å; W34-F62 HydrophobicContact CZ3-CE1 4.33Å; W34-F62 AromaticContact CZ3-CZ 3.65Å; W34-F62 HydrophobicContact CZ3-CZ 3.65Å; W34-L77 HydrophobicContact CH2-CD1 3.5Å; W34-L77 HydrophobicContact CZ2-CD1 3.73Å; W34-A81 PolarHBondContact NE1-O 3.17Å; W34-A81 VanDerWaalsContact NE1-O 3.16Å; W34-P83 HydrophobicContact CB-CG 4.29Å; W34-P83 HydrophobicContact CD2-CG 4.06Å; W34-P83 HydrophobicContact CG-CG 3.93Å
35V89.5Confident85.9Confident11 Ų1171.9 Ų71.97%0.06736%0.356CS..Hα-helixtrans-69-46.5177.5170.60000110.8F24 C31 R32 N37 C38 R39 L43 E44 L51F24-V35 HydrophobicContact CD1-CG2 4.22Å; F24-V35 HydrophobicContact CE1-CG2 3.83Å; C31-V35 WeakPolarHBondContact O-CG2 3.37Å; C31-V35 PolarHBondContact O-N 3.4Å; R32-V35 PolarHBondContact O-N 3.04Å; R32-V35 VanDerWaalsContact O-N 3.13Å; V35-N37 VanDerWaalsContact C-N 3.34Å; V35-N37 PolarHBondContact O-N 3.43Å; V35-C38 WeakPolarHBondContact O-CB 3.47Å; V35-C38 PolarHBondContact O-N 3.4Å; V35-R39 PolarHBondContact O-N 3.12Å; V35-L43 HydrophobicContact CG1-CB 3.89Å; V35-L43 HydrophobicContact CG2-CB 4.33Å; V35-E44 HydrophobicContact CG1-CG 3.87Å; V35-L51 HydrophobicContact CG2-CD1 3.42Å; V35-L51 VanDerWaalsContact CG2-CD1 3.42Å
36E86.3Confident85.8Confident112 Ų11273.9 Ų73.952%0.52336%0.364SS..Hα-helixtrans-58.1-46.4177.4-175.2172.5-168.100111.2R32 C38 R39R32-E36 IonicContact NH1-OE2 2.72Å; R32-E36 WeakPolarHBondContact O-CB 3.41Å; R32-E36 PolarHBondContact O-N 3.17Å; E36-C38 VanDerWaalsContact C-N 3.28Å; E36-C38 PolarHBondContact O-N 3.42Å; E36-R39 WeakPolarHBondContact O-CG 3.43Å; E36-R39 PolarHBondContact O-N 3.31Å
37N85.4Confident85.9Confident48 Ų4869.2 Ų69.226%0.25736%0.355SS..Hα-helixtrans-65.5-28.5176.3-78.2-48.1000113.5I33 V35 R39 P83 F86I33-N37 WeakPolarHBondContact CG2-ND2 3.32Å; I33-N37 WeakPolarHBondContact O-CB 3.21Å; I33-N37 PolarHBondContact O-N 2.96Å; I33-N37 PolarHBondContact O-ND2 2.75Å; V35-N37 VanDerWaalsContact C-N 3.34Å; V35-N37 PolarHBondContact O-N 3.43Å; N37-R39 VanDerWaalsContact C-N 3.28Å; N37-R39 PolarHBondContact O-N 2.97Å; N37-P83 HydrophobicContact CB-CG 4.34Å; N37-P83 VanDerWaalsContact CB-O 3.29Å; N37-P83 WeakPolarHBondContact CB-O 3.46Å; N37-P83 VanDerWaalsContact CG-O 3.31Å; N37-P83 PolarHBondContact ND2-O 3.06Å; N37-F86 HydrophobicContact CB-CE2 3.82Å; N37-F86 HydrophobicContact CB-CZ 4.28Å; N37-F86 WeakPolarHBondContact O-CD2 3.45Å; N37-F86 VanDerWaalsContact O-CE2 3.22Å; N37-F86 WeakPolarHBondContact O-CE2 3.2Å; N37-F86 WeakPolarHBondContact O-CZ 3.35Å
38C84.6Confident85.9Confident0 Ų066 Ų660%034%0.341CS..Hα-helixtrans-73.2-18173.5-70.70000113.3P8 W34 V35 E36 R40 L43P8-C38 WeakPolarHBondContact CD-O 3.32Å; P8-C38 WeakPolarHBondContact CG-O 3.05Å; W34-C38 PolarHBondContact O-N 3.28Å; W34-C38 VanDerWaalsContact O-N 3.16Å; W34-C38 PolarHBondContact O-SG 3.36Å; V35-C38 WeakPolarHBondContact O-CB 3.47Å; V35-C38 PolarHBondContact O-N 3.4Å; E36-C38 VanDerWaalsContact C-N 3.28Å; E36-C38 PolarHBondContact O-N 3.42Å; C38-R40 VanDerWaalsContact C-N 3.26Å; C38-R40 PolarHBondContact O-N 3.2Å; C38-L43 HydrophobicContact CB-CD1 4.12Å
39R80.8Confident86Confident188 Ų18866.6 Ų66.671%0.70934%0.339SS*.THydrogen-bonded Turntrans45.946-179.6-61-167.3177.8-165.30.2113.7V35 E36 N37V35-R39 PolarHBondContact O-N 3.12Å; E36-R39 WeakPolarHBondContact O-CG 3.43Å; E36-R39 PolarHBondContact O-N 3.31Å; N37-R39 VanDerWaalsContact C-N 3.28Å; N37-R39 PolarHBondContact O-N 2.97Å
40R82.1Confident86.1Confident70 Ų7066.4 Ų66.426%0.26434%0.338SS..  trans-120.9109.1-179.5-83.2-175.464.8176.32.7110.4A6 C38 D42 L43A6-R40 WeakPolarHBondContact O-CD 3.11Å; A6-R40 PolarHBondContact O-NH1 2.76Å; C38-R40 VanDerWaalsContact C-N 3.26Å; C38-R40 PolarHBondContact O-N 3.2Å; R40-D42 IonicContact CZ-OD1 3.34Å; R40-D42 IonicContact CZ-OD2 3.21Å; R40-D42 IonicContact NE-OD1 2.68Å; R40-D42 PolarHBondContact NE-OD1 3.25Å; R40-D42 IonicContact NE-OD2 2.75Å; R40-D42 IonicContact NH2-OD1 2.66Å; R40-D42 PolarHBondContact NH2-OD1 3.16Å; R40-D42 IonicContact NH2-OD2 2.9Å; R40-D42 PolarHBondContact NH2-OD2 2.95Å; R40-D42 PolarHBondContact O-N 3.24Å; R40-D42 VanDerWaalsContact O-N 3.08Å; R40-L43 HydrophobicContact CB-CB 4.46Å; R40-L43 HydrophobicContact CB-CD1 3.98Å; R40-L43 HydrophobicContact CB-CG 3.93Å; R40-L43 WeakPolarHBondContact O-CB 3.13Å; R40-L43 PolarHBondContact O-N 3Å
41A81.5Confident86.3Confident75 Ų7564.3 Ų64.362%0.6233%0.33SS*.Hα-helixtrans-55.6-29.1178.500000113.6L43 E44A41-L43 PolarHBondContact O-N 3.5Å; A41-E44 PolarHBondContact O-N 3.43Å
42D83.5Confident86.4Confident66 Ų6665.2 Ų65.235%0.35334%0.335SS..Hα-helixtrans-72.4-12.2177.775.3-74.3000114.2R40 K46R40-D42 IonicContact CZ-OD1 3.34Å; R40-D42 IonicContact CZ-OD2 3.21Å; R40-D42 IonicContact NE-OD1 2.68Å; R40-D42 PolarHBondContact NE-OD1 3.25Å; R40-D42 IonicContact NE-OD2 2.75Å; R40-D42 IonicContact NH2-OD1 2.66Å; R40-D42 PolarHBondContact NH2-OD1 3.16Å; R40-D42 IonicContact NH2-OD2 2.9Å; R40-D42 PolarHBondContact NH2-OD2 2.95Å; R40-D42 PolarHBondContact O-N 3.24Å; R40-D42 VanDerWaalsContact O-N 3.08Å; D42-K46 WeakPolarHBondContact O-CD 3.48Å; D42-K46 WeakPolarHBondContact O-CE 3.48Å; D42-K46 PolarHBondContact O-NZ 3.01Å; D42-K46 IonicContact OD2-NZ 3.55Å
43L86.6Confident86.3Confident0 Ų065 Ų650%034%0.337CS..Hα-helixtrans-96-25.8177.2-58.2-176.3000112.5A6 F24 V35 C38 R40 A41 A45 K46 L51 Y55A6-L43 HydrophobicContact CB-CD1 4.47Å; F24-L43 HydrophobicContact CZ-CD1 4.17Å; V35-L43 HydrophobicContact CG1-CB 3.89Å; V35-L43 HydrophobicContact CG2-CB 4.33Å; C38-L43 HydrophobicContact CB-CD1 4.12Å; R40-L43 HydrophobicContact CB-CB 4.46Å; R40-L43 HydrophobicContact CB-CD1 3.98Å; R40-L43 HydrophobicContact CB-CG 3.93Å; R40-L43 WeakPolarHBondContact O-CB 3.13Å; R40-L43 PolarHBondContact O-N 3Å; A41-L43 PolarHBondContact O-N 3.5Å; L43-A45 VanDerWaalsContact C-N 3.33Å; L43-A45 PolarHBondContact O-N 3.36Å; L43-K46 PolarHBondContact O-N 3.49Å; L43-L51 HydrophobicContact CB-CD2 4.14Å; L43-L51 HydrophobicContact CD2-CD2 3.85Å; L43-L51 HydrophobicContact CG-CD2 4.48Å; L43-Y55 HydrophobicContact CD2-CD1 3.57Å; L43-Y55 HydrophobicContact CD2-CD2 4.35Å; L43-Y55 HydrophobicContact CD2-CE1 3.45Å; L43-Y55 VanDerWaalsContact CD2-CE1 3.45Å; L43-Y55 HydrophobicContact CD2-CE2 4.25Å; L43-Y55 HydrophobicContact CD2-CG 4.03Å
44E84.4Confident86.2Confident129 Ų12966.2 Ų66.260%0.60334%0.342SS*.Hα-helixtrans-63.1-35.3-177.7-70.7166.7-159.100112.8V35 A41 K46V35-E44 HydrophobicContact CG1-CG 3.87Å; A41-E44 PolarHBondContact O-N 3.43Å; E44-K46 PolarHBondContact O-N 3.16Å
45A83.6Confident86.1Confident95 Ų9568 Ų6879%0.78535%0.349SS*.THydrogen-bonded Turntrans-807.5179.500000114.6L43L43-A45 VanDerWaalsContact C-N 3.33Å; L43-A45 PolarHBondContact O-N 3.36Å
46K87.2Confident86.1Confident61 Ų6170.5 Ų70.527%0.26536%0.357SS..SBendtrans-114143.5-171.4-65.4178.4-178145.20112.3D42 L43 E44 Q50 L51 Y55D42-K46 WeakPolarHBondContact O-CD 3.48Å; D42-K46 WeakPolarHBondContact O-CE 3.48Å; D42-K46 PolarHBondContact O-NZ 3.01Å; D42-K46 IonicContact OD2-NZ 3.55Å; L43-K46 PolarHBondContact O-N 3.49Å; E44-K46 PolarHBondContact O-N 3.16Å; K46-Q50 HydrophobicContact CB-CB 4.37Å; K46-L51 HydrophobicContact CB-CD1 4.44Å; K46-L51 HydrophobicContact CB-CD2 4Å; K46-L51 HydrophobicContact CB-CG 3.94Å; K46-L51 HydrophobicContact CD-CD2 4.31Å; K46-Y55 HydrophobicContact CD-CE2 3.91Å; K46-Y55 PolarHBondContact NZ-OH 2.87Å
47T89.6Confident86.3Confident78 Ų7865.1 Ų65.148%0.47933%0.332SS..  trans-73.8156.1178.168.80000112D49 Q50 L51T47-D49 PolarHBondContact O-N 2.9Å; T47-D49 VanDerWaalsContact O-N 3.16Å; T47-Q50 WeakPolarHBondContact O-CB 3.5Å; T47-Q50 PolarHBondContact O-N 3.5Å; T47-Q50 VanDerWaalsContact OG1-CG 3.31Å; T47-Q50 WeakPolarHBondContact OG1-CG 3.35Å; T47-Q50 PolarHBondContact OG1-N 2.9Å; T47-L51 WeakPolarHBondContact O-CG 3.47Å; T47-L51 PolarHBondContact O-N 2.75Å
48A87.9Confident86.5Confident21 Ų2162.9 Ų62.917%0.17432%0.32CS..Hα-helixtrans-55-35.7178.700000112.8C31 L51 N52C31-A48 HydrophobicContact CB-CB 3.96Å; A48-L51 PolarHBondContact O-N 3.28Å; A48-N52 VanDerWaalsContact O-CB 3.3Å; A48-N52 WeakPolarHBondContact O-CB 3.38Å; A48-N52 PolarHBondContact O-N 2.76Å
49D86.8Confident86.6Confident105 Ų10563.7 Ų63.756%0.56133%0.326SS*.Hα-helixtrans-67.6-40.1175-76.3-35.1000113.2T47 L51 K53T47-D49 PolarHBondContact O-N 2.9Å; T47-D49 VanDerWaalsContact O-N 3.16Å; D49-L51 VanDerWaalsContact C-N 3.33Å; D49-K53 WeakPolarHBondContact O-CB 3.44Å; D49-K53 PolarHBondContact O-N 3.39Å; D49-K53 VanDerWaalsContact O-N 3.13Å
50Q86.9Confident86.9Confident92 Ų9260.3 Ų60.343%0.4332%0.317SS..Hα-helixtrans-65.5-40.1175.8-71.1172.6-4.900111.1K46 T47 H54K46-Q50 HydrophobicContact CB-CB 4.37Å; T47-Q50 WeakPolarHBondContact O-CB 3.5Å; T47-Q50 PolarHBondContact O-N 3.5Å; T47-Q50 VanDerWaalsContact OG1-CG 3.31Å; T47-Q50 WeakPolarHBondContact OG1-CG 3.35Å; T47-Q50 PolarHBondContact OG1-N 2.9Å; Q50-H54 PolarHBondContact O-N 2.97Å; Q50-H54 VanDerWaalsContact O-N 3.17Å; Q50-H54 PolarHBondContact O-ND1 3.46Å
51L89.6Confident87.3Confident3 Ų357.6 Ų57.62%0.01631%0.307CS..Hα-helixtrans-67.3-47.9177.6-69.2169.2000111.7F24 V35 L43 K46 T47 A48 D49 K53 H54 Y55F24-L51 HydrophobicContact CB-CB 3.88Å; F24-L51 HydrophobicContact CD1-CB 4.25Å; F24-L51 HydrophobicContact CD1-CD1 4.47Å; F24-L51 HydrophobicContact CG-CB 3.97Å; V35-L51 HydrophobicContact CG2-CD1 3.42Å; V35-L51 VanDerWaalsContact CG2-CD1 3.42Å; L43-L51 HydrophobicContact CB-CD2 4.14Å; L43-L51 HydrophobicContact CD2-CD2 3.85Å; L43-L51 HydrophobicContact CG-CD2 4.48Å; K46-L51 HydrophobicContact CB-CD1 4.44Å; K46-L51 HydrophobicContact CB-CD2 4Å; K46-L51 HydrophobicContact CB-CG 3.94Å; K46-L51 HydrophobicContact CD-CD2 4.31Å; T47-L51 WeakPolarHBondContact O-CG 3.47Å; T47-L51 PolarHBondContact O-N 2.75Å; A48-L51 PolarHBondContact O-N 3.28Å; D49-L51 VanDerWaalsContact C-N 3.33Å; L51-K53 PolarHBondContact O-N 3.05Å; L51-H54 PolarHBondContact O-N 2.72Å; L51-Y55 HydrophobicContact CD2-CD2 3.86Å; L51-Y55 HydrophobicContact CD2-CE2 4.35Å; L51-Y55 HydrophobicContact CD2-CG 4.25Å; L51-Y55 WeakPolarHBondContact O-CA 3.39Å; L51-Y55 WeakPolarHBondContact O-CB 3.16Å; L51-Y55 PolarHBondContact O-N 2.86Å
52N90.8Very high87.6Confident23 Ų2354.1 Ų54.112%0.12328%0.278CS..Hα-helixtrans-59.3-35177-179.8-93.6000112.7R23 F24 R26 A48R23-N52 WeakPolarHBondContact CD-O 3.42Å; F24-N52 WeakPolarHBondContact O-CB 3.45Å; F24-N52 PolarHBondContact O-ND2 3.25Å; R26-N52 HydrophobicContact CG-CB 4.16Å; A48-N52 VanDerWaalsContact O-CB 3.3Å; A48-N52 WeakPolarHBondContact O-CB 3.38Å; A48-N52 PolarHBondContact O-N 2.76Å
53K86.5Confident87.6Confident133 Ų13354.3 Ų54.358%0.57828%0.279SS*.Hα-helixtrans-78.7-37.2-177.1-170.1172179.8178.60113.2D49 L51D49-K53 WeakPolarHBondContact O-CB 3.44Å; D49-K53 PolarHBondContact O-N 3.39Å; D49-K53 VanDerWaalsContact O-N 3.13Å; L51-K53 PolarHBondContact O-N 3.05Å
54H84.3Confident87.4Confident77 Ų7759.2 Ų59.236%0.35631%0.311SS..Hα-helixtrans-114.5-17.5-168.8-56.7105.9000114.7P2 Q50 L51P2-H54 WeakPolarHBondContact CD-O 3.34Å; P2-H54 HydrophobicContact CG-CB 4.39Å; P2-H54 WeakPolarHBondContact CG-O 3.25Å; Q50-H54 PolarHBondContact O-N 2.97Å; Q50-H54 VanDerWaalsContact O-N 3.17Å; Q50-H54 PolarHBondContact O-ND1 3.46Å; L51-H54 PolarHBondContact O-N 2.72Å
55Y89.3Confident87.2Confident42 Ų4256.1 Ų56.117%0.16531%0.308CS..  trans-119.5145.3-172-64.8-91000111.7A6 L43 K46 L51A6-Y55 HydrophobicContact CB-CD1 4.13Å; L43-Y55 HydrophobicContact CD2-CD1 3.57Å; L43-Y55 HydrophobicContact CD2-CD2 4.35Å; L43-Y55 HydrophobicContact CD2-CE1 3.45Å; L43-Y55 VanDerWaalsContact CD2-CE1 3.45Å; L43-Y55 HydrophobicContact CD2-CE2 4.25Å; L43-Y55 HydrophobicContact CD2-CG 4.03Å; K46-Y55 HydrophobicContact CD-CE2 3.91Å; K46-Y55 PolarHBondContact NZ-OH 2.87Å; L51-Y55 HydrophobicContact CD2-CD2 3.86Å; L51-Y55 HydrophobicContact CD2-CE2 4.35Å; L51-Y55 HydrophobicContact CD2-CG 4.25Å; L51-Y55 WeakPolarHBondContact O-CA 3.39Å; L51-Y55 WeakPolarHBondContact O-CB 3.16Å; L51-Y55 PolarHBondContact O-N 2.86Å
56R89.8Confident87.2Confident62 Ų6253.9 Ų53.923%0.23428%0.281CS..EExtended strand (participates in β ladder)trans-143.5147.2-179.4-60.3-175.9-174.3179.11.8111.2C5 A6 S14 F21 F22 R23C5-R56 CarbonylContact C-O 3.45Å; C5-R56 WeakPolarHBondContact CA-O 3.17Å; A6-R56 WeakPolarHBondContact CB-O 3.32Å; A6-R56 PolarHBondContact N-O 2.93Å; S14-R56 PolarHBondContact OG-NH1 3.48Å; F21-R56 HydrophobicContact CB-CB 4.31Å; F21-R56 HydrophobicContact CD1-CB 4.08Å; F22-R56 CarbonylContact O-C 3.56Å; F22-R56 WeakPolarHBondContact O-CA 3.37Å; F22-R56 WeakPolarHBondContact O-CB 3.49Å; R23-R56 HydrophobicContact CG-CG 4.24Å
57L90.4Very high86.9Confident0 Ų052.4 Ų52.40%028%0.278CS..EExtended strand (participates in β ladder)trans-113.4138.2172-70.6173.1000110.3A6 A7 F21 F22 F24 W34 F62 P83A6-L57 HydrophobicContact CB-CD2 3.97Å; A6-L57 HydrophobicContact CB-CG 4.48Å; A7-L57 HydrophobicContact CB-CD2 3.71Å; A7-L57 VanDerWaalsContact N-CD2 3.29Å; F21-L57 CarbonylContact C-O 3.39Å; F21-L57 WeakPolarHBondContact CA-O 3.26Å; F22-L57 PolarHBondContact N-O 3.39Å; F22-L57 PolarHBondContact O-N 3.35Å; F24-L57 HydrophobicContact CE2-CD1 4.49Å; F24-L57 HydrophobicContact CE2-CG 4.22Å; F24-L57 HydrophobicContact CZ-CD1 4.26Å; F24-L57 HydrophobicContact CZ-CG 4.38Å; W34-L57 HydrophobicContact CE3-CD1 3.75Å; W34-L57 HydrophobicContact CZ3-CD1 4.16Å; L57-F62 HydrophobicContact CB-CE2 3.85Å; L57-F62 HydrophobicContact CB-CZ 4.22Å; L57-F62 HydrophobicContact CD1-CZ 4.2Å; L57-P83 HydrophobicContact CD1-CB 3.95Å; L57-P83 HydrophobicContact CD1-CG 3.75Å
58C89.4Confident86.4Confident0 Ų050.9 Ų50.90%027%0.27CS..EExtended strand (participates in β ladder)trans-78.3155.4174.480.60000111.2C5 A20 F21 K60 H61C5-C58 PolarHBondContact SG-N 2.81Å; A20-C58 CarbonylContact O-C 3.57Å; A20-C58 WeakPolarHBondContact O-CA 3.27Å; F21-C58 HydrophobicContact CD1-CB 4.23Å; F21-C58 HydrophobicContact CD2-CB 4.32Å; F21-C58 HydrophobicContact CE1-CB 3.89Å; F21-C58 HydrophobicContact CE2-CB 3.92Å; F21-C58 HydrophobicContact CG-CB 4.44Å; F21-C58 HydrophobicContact CZ-CB 3.72Å; C58-K60 PolarHBondContact O-N 3.04Å; C58-H61 PolarHBondContact O-N 2.82Å; C58-H61 VanDerWaalsContact O-N 3.16Å; C58-H61 VanDerWaalsContact SG-CD2 3.58Å
59A87.4Confident85.7Confident17 Ų1758.2 Ų58.214%0.1430%0.298CS..G310 helixtrans-57.9-18.8-175.800000115.4A20 F22 H61 F62A20-A59 HydrophobicContact CB-CB 4.49Å; A20-A59 PolarHBondContact O-N 2.79Å; F22-A59 HydrophobicContact CE2-CB 3.7Å; F22-A59 HydrophobicContact CZ-CB 4.41Å; A59-H61 PolarHBondContact O-N 3.08Å; A59-F62 PolarHBondContact O-N 2.88Å
60K87.6Confident84.6Confident118 Ų11857.8 Ų57.851%0.51330%0.299SS..G310 helixtrans-64.5-22.1177.7-177.8178.8174.7-170.80113.3L19 C58 F62L19-K60 HydrophobicContact CD1-CB 4.24Å; C58-K60 PolarHBondContact O-N 3.04Å; K60-F62 VanDerWaalsContact C-N 3.26Å; K60-F62 PolarHBondContact O-N 3.47Å
61H90.1Very high83.2Confident12 Ų1255.8 Ų55.86%0.05630%0.295CS..G310 helixtrans-85.3-0.2-179.3-60.8-66000113.5C5 A7 C10 C58 A59 P83 T84 I85 F86C5-H61 VanDerWaalsContact SG-CD2 3.58Å; A7-H61 WeakPolarHBondContact CB-CE1 3.46Å; A7-H61 WeakPolarHBondContact CB-NE2 3.45Å; C10-H61 PolarHBondContact SG-NE2 3.5Å; C10-H61 VanDerWaalsContact SG-NE2 3.36Å; C58-H61 PolarHBondContact O-N 2.82Å; C58-H61 VanDerWaalsContact O-N 3.16Å; C58-H61 VanDerWaalsContact SG-CD2 3.58Å; A59-H61 PolarHBondContact O-N 3.08Å; H61-P83 HydrophobicContact CB-CB 4.23Å; H61-P83 CarbonylContact O-C 3.53Å; H61-P83 WeakPolarHBondContact O-CA 3.37Å; H61-P83 WeakPolarHBondContact O-CB 3.24Å; H61-T84 PolarHBondContact O-N 3.22Å; H61-I85 WeakPolarHBondContact CA-O 3.38Å; H61-I85 PolarHBondContact ND1-O 3.42Å; H61-I85 PolarHBondContact O-N 3.19Å; H61-F86 AromaticContact ND1-CD1 3.96Å
62F88.5Confident81.6Confident3 Ų361.5 Ų61.51%0.01333%0.332CS..SBendtrans-114.7146.5179-61.4-91.3000109.4F22 W34 L57 A59 K60 V67 L77 A81 P83F22-F62 HydrophobicContact CD2-CD2 4.04Å; F22-F62 AromaticContact CD2-CE2 3.85Å; F22-F62 HydrophobicContact CD2-CE2 3.85Å; F22-F62 HydrophobicContact CE2-CD2 4.38Å; W34-F62 HydrophobicContact CD2-CZ 4.45Å; W34-F62 AromaticContact CE2-CE1 3.92Å; W34-F62 HydrophobicContact CE3-CZ 4.19Å; W34-F62 AromaticContact CH2-CE1 3.7Å; W34-F62 HydrophobicContact CH2-CE1 3.7Å; W34-F62 HydrophobicContact CH2-CE2 4.45Å; W34-F62 AromaticContact CH2-CZ 3.35Å; W34-F62 HydrophobicContact CH2-CZ 3.35Å; W34-F62 AromaticContact CZ2-CE1 3.45Å; W34-F62 HydrophobicContact CZ2-CE1 3.45Å; W34-F62 VanDerWaalsContact CZ2-CE1 3.45Å; W34-F62 AromaticContact CZ2-CZ 3.63Å; W34-F62 HydrophobicContact CZ2-CZ 3.63Å; W34-F62 HydrophobicContact CZ3-CE1 4.33Å; W34-F62 AromaticContact CZ3-CZ 3.65Å; W34-F62 HydrophobicContact CZ3-CZ 3.65Å; L57-F62 HydrophobicContact CB-CE2 3.85Å; L57-F62 HydrophobicContact CB-CZ 4.22Å; L57-F62 HydrophobicContact CD1-CZ 4.2Å; A59-F62 PolarHBondContact O-N 2.88Å; K60-F62 VanDerWaalsContact C-N 3.26Å; K60-F62 PolarHBondContact O-N 3.47Å; F62-V67 HydrophobicContact CB-CG2 4.21Å; F62-L77 HydrophobicContact CB-CD2 4.2Å; F62-L77 HydrophobicContact CD1-CD1 4.07Å; F62-L77 HydrophobicContact CD1-CD2 3.81Å; F62-L77 HydrophobicContact CD2-CD2 4.32Å; F62-L77 HydrophobicContact CE1-CD1 3.67Å; F62-L77 HydrophobicContact CE1-CD2 4.28Å; F62-L77 HydrophobicContact CE2-CD1 4.26Å; F62-L77 HydrophobicContact CG-CD2 3.83Å; F62-L77 HydrophobicContact CZ-CD1 3.79Å; F62-A81 HydrophobicContact CD1-CB 4.46Å; F62-P83 HydrophobicContact CD1-CB 4.15Å; F62-P83 HydrophobicContact CE1-CB 3.73Å; F62-P83 HydrophobicContact CE1-CG 4.13Å; F62-P83 HydrophobicContact CE2-CB 4.28Å; F62-P83 HydrophobicContact CZ-CB 3.79Å; F62-P83 HydrophobicContact CZ-CG 4.22Å
63D82.4Confident79.8Confident69 Ų6971 Ų7137%0.36937%0.368SS..  trans-57.2130.2168-172.1-47.1000109.3A65 M66D63-A65 PolarHBondContact O-N 3.12Å; D63-A65 VanDerWaalsContact O-N 3.08Å; D63-A65 VanDerWaalsContact OD1-CB 3.27Å; D63-A65 WeakPolarHBondContact OD1-CB 3.29Å; D63-A65 PolarHBondContact OD1-N 2.84Å; D63-M66 HydrophobicContact CB-CE 4.19Å; D63-M66 HydrophobicContact CB-CG 4.08Å; D63-M66 HydrophobicContact CB-SD 4.18Å; D63-M66 WeakPolarHBondContact O-CB 3.13Å; D63-M66 PolarHBondContact O-N 3.41Å
64P82.6Confident78.9Confident104 Ų10472.5 Ų72.568%0.67537%0.37SS*.G310 helixtrans-50.2-31.4176.1-2835.4000114.4M66 V67P64-M66 PolarHBondContact O-N 2.82Å; P64-V67 PolarHBondContact O-N 3.16Å
65A80.4Confident78.7Confident64 Ų6471.2 Ų71.253%0.52937%0.367SS..G310 helixtrans-68.1-17.8177.100000113.7D63 K78D63-A65 PolarHBondContact O-N 3.12Å; D63-A65 VanDerWaalsContact O-N 3.08Å; D63-A65 VanDerWaalsContact OD1-CB 3.27Å; D63-A65 WeakPolarHBondContact OD1-CB 3.29Å; D63-A65 PolarHBondContact OD1-N 2.84Å; A65-K78 VanDerWaalsContact O-CE 3.26Å; A65-K78 WeakPolarHBondContact O-CE 3.38Å; A65-K78 PolarHBondContact O-NZ 3.06Å
66M83.6Confident78.4Confident47 Ų4771.8 Ų71.823%0.23238%0.375CS..G310 helixtrans-89.6-5.8176.6-62-178.3-173.400113.1D63 P64 K78 A81D63-M66 HydrophobicContact CB-CE 4.19Å; D63-M66 HydrophobicContact CB-CG 4.08Å; D63-M66 HydrophobicContact CB-SD 4.18Å; D63-M66 WeakPolarHBondContact O-CB 3.13Å; D63-M66 PolarHBondContact O-N 3.41Å; P64-M66 PolarHBondContact O-N 2.82Å; M66-K78 PolarHBondContact O-N 3.43Å; M66-A81 HydrophobicContact CB-CB 3.79Å; M66-A81 HydrophobicContact CG-CB 4.38Å; M66-A81 HydrophobicContact SD-CB 4.18Å
67V81.9Confident78.2Confident31 Ų3169.8 Ų69.819%0.18837%0.369CS..EExtended strand (participates in β ladder)trans-105.1108.2-176.2-176.50000110.3F22 F62 P64 T75 L77F22-V67 HydrophobicContact CZ-CG1 4.29Å; F62-V67 HydrophobicContact CB-CG2 4.21Å; P64-V67 PolarHBondContact O-N 3.16Å; V67-T75 HydrophobicContact CG1-CG2 3.14Å; V67-L77 HydrophobicContact CG2-CD2 3.89Å
68C77.4Confident77.8Confident46 Ų4674.5 Ų74.531%0.31139%0.39SS..EExtended strand (participates in β ladder)trans-91.5118.4178.1-66.60000111.4T70 V76 K78C68-T70 PolarHBondContact O-N 2.8Å; C68-V76 WeakPolarHBondContact CA-O 3.42Å; C68-V76 PolarHBondContact N-O 3.38Å; C68-V76 PolarHBondContact O-N 2.98Å; C68-K78 VanDerWaalsContact SG-CG 3.56Å
69K74.6Confident77.1Confident175 Ų17581.3 Ų81.376%0.76143%0.426SS*.EExtended strand (participates in β ladder)trans-87.194168.2-67.2-178.1-177.61780109S71 T75K69-S71 VanDerWaalsContact C-N 3.33Å; K69-T75 HydrophobicContact CG-CG2 4.34Å
70T63Low76.7Confident96 Ų9686.1 Ų86.159%0.58945%0.454SS*.EExtended strand (participates in β ladder)trans-80.2-16.8178.940.50000112.5C68 R74C68-T70 PolarHBondContact O-N 2.8Å; T70-R74 PolarHBondContact N-O 3.21Å; T70-R74 VanDerWaalsContact N-O 3.17Å; T70-R74 PolarHBondContact OG1-O 3.04Å
71S58.1Low76.5Confident50 Ų5080.5 Ų80.535%0.3543%0.429SS..EExtended strand (participates in β ladder)trans-159.9168.5169.572.30000110.6K69 Y73 R74K69-S71 VanDerWaalsContact C-N 3.33Å; S71-Y73 PolarHBondContact O-N 2.93Å; S71-Y73 PolarHBondContact OG-N 3.12Å; S71-R74 PolarHBondContact N-O 3.44Å; S71-R74 PolarHBondContact O-N 3.35Å; S71-R74 VanDerWaalsContact O-N 3.15Å; S71-R74 VanDerWaalsContact OG-CB 3.25Å; S71-R74 WeakPolarHBondContact OG-CB 3.19Å; S71-R74 PolarHBondContact OG-N 3.41Å; S71-R74 VanDerWaalsContact OG-N 3.13Å
72P55.2Low76.4Confident122 Ų12282.4 Ų82.479%0.79244%0.44SS*.THydrogen-bonded Turntrans-57.1-19176.3-2232000114.2
73Y54.1Low76.4Confident224 Ų22482.3 Ų82.388%0.87844%0.439SS*.THydrogen-bonded Turntrans-115.61-176.1-54.3-74.7000113.4S71S71-Y73 PolarHBondContact O-N 2.93Å; S71-Y73 PolarHBondContact OG-N 3.12Å
74R66.3Low76.5Confident163 Ų16382.5 Ų82.562%0.61544%0.443SS*.EExtended strand (participates in β ladder)trans-138.1114.5-175.4-162.6-179.4-176.9-166.3-0.6111.9T70 S71 V76T70-R74 PolarHBondContact N-O 3.21Å; T70-R74 VanDerWaalsContact N-O 3.17Å; T70-R74 PolarHBondContact OG1-O 3.04Å; S71-R74 PolarHBondContact N-O 3.44Å; S71-R74 PolarHBondContact O-N 3.35Å; S71-R74 VanDerWaalsContact O-N 3.15Å; S71-R74 VanDerWaalsContact OG-CB 3.25Å; S71-R74 WeakPolarHBondContact OG-CB 3.19Å; S71-R74 PolarHBondContact OG-N 3.41Å; S71-R74 VanDerWaalsContact OG-N 3.13Å; R74-V76 HydrophobicContact CG-CG2 3.99Å
75T80.3Confident76.5Confident50 Ų5081.2 Ų81.231%0.30743%0.43SS..EExtended strand (participates in β ladder)trans-110.6127.2174.2-45.20000108.5A20 F22 V67 K69A20-T75 HydrophobicContact CB-CG2 4.22Å; F22-T75 HydrophobicContact CZ-CG2 4.11Å; V67-T75 HydrophobicContact CG1-CG2 3.14Å; K69-T75 HydrophobicContact CG-CG2 4.34Å
76V82.8Confident76.6Confident54 Ų5479.7 Ų79.733%0.32741%0.411SS..EExtended strand (participates in β ladder)trans-129.4148.5-177.4-169.50000108.8C68 R74C68-V76 WeakPolarHBondContact CA-O 3.42Å; C68-V76 PolarHBondContact N-O 3.38Å; C68-V76 PolarHBondContact O-N 2.98Å; R74-V76 HydrophobicContact CG-CG2 3.99Å
77L86.4Confident75.8Confident21 Ų2181.7 Ų81.711%0.1142%0.423CS..EExtended strand (participates in β ladder)trans-84.8148.3172.1-72.2172.6000110.7F22 W34 F62 V67 A81F22-L77 HydrophobicContact CB-CD1 3.64Å; F22-L77 HydrophobicContact CB-CG 4.44Å; F22-L77 HydrophobicContact CD1-CD1 3.85Å; F22-L77 HydrophobicContact CD1-CG 3.71Å; F22-L77 HydrophobicContact CD2-CD1 3.64Å; F22-L77 HydrophobicContact CD2-CD2 4Å; F22-L77 HydrophobicContact CD2-CG 3.79Å; F22-L77 HydrophobicContact CE1-CD1 4.42Å; F22-L77 HydrophobicContact CE1-CD2 4.43Å; F22-L77 HydrophobicContact CE1-CG 3.79Å; F22-L77 HydrophobicContact CE2-CD1 4.21Å; F22-L77 HydrophobicContact CE2-CD2 3.74Å; F22-L77 HydrophobicContact CE2-CG 3.84Å; F22-L77 HydrophobicContact CG-CD1 3.42Å; F22-L77 VanDerWaalsContact CG-CD1 3.42Å; F22-L77 HydrophobicContact CG-CD2 4.43Å; F22-L77 HydrophobicContact CG-CG 3.71Å; F22-L77 HydrophobicContact CZ-CD2 3.98Å; F22-L77 HydrophobicContact CZ-CG 3.85Å; W34-L77 HydrophobicContact CH2-CD1 3.5Å; W34-L77 HydrophobicContact CZ2-CD1 3.73Å; F62-L77 HydrophobicContact CB-CD2 4.2Å; F62-L77 HydrophobicContact CD1-CD1 4.07Å; F62-L77 HydrophobicContact CD1-CD2 3.81Å; F62-L77 HydrophobicContact CD2-CD2 4.32Å; F62-L77 HydrophobicContact CE1-CD1 3.67Å; F62-L77 HydrophobicContact CE1-CD2 4.28Å; F62-L77 HydrophobicContact CE2-CD1 4.26Å; F62-L77 HydrophobicContact CG-CD2 3.83Å; F62-L77 HydrophobicContact CZ-CD1 3.79Å; V67-L77 HydrophobicContact CG2-CD2 3.89Å; L77-A81 HydrophobicContact CB-CB 3.88Å; L77-A81 HydrophobicContact CD1-CB 4.48Å; L77-A81 HydrophobicContact CD2-CB 4Å; L77-A81 HydrophobicContact CG-CB 4.34Å
78K82.1Confident74.7Confident98 Ų9883.9 Ų83.943%0.42643%0.433SS..  trans-61.1155.9166.4-68.9-179.1177.7166.60110.8R30 A65 M66 C68 T80 A81R30-K78 PolarHBondContact NH2-O 3.4Å; A65-K78 VanDerWaalsContact O-CE 3.26Å; A65-K78 WeakPolarHBondContact O-CE 3.38Å; A65-K78 PolarHBondContact O-NZ 3.06Å; M66-K78 PolarHBondContact O-N 3.43Å; C68-K78 VanDerWaalsContact SG-CG 3.56Å; K78-T80 PolarHBondContact O-N 3.1Å; K78-A81 HydrophobicContact CB-CB 4.49Å; K78-A81 VanDerWaalsContact O-CB 3.24Å; K78-A81 WeakPolarHBondContact O-CB 3.15Å; K78-A81 PolarHBondContact O-N 3.32Å
79D74.6Confident73.3Confident144 Ų14485.2 Ų85.277%0.7744%0.44SS*.THydrogen-bonded Turntrans-66.8-19.5-179-70.4-25.7000113.4R30R30-D79 PolarHBondContact NE-O 3.16Å; R30-D79 PolarHBondContact NH1-O 3.13Å
80T79.1Confident72.1Confident117 Ų11778.8 Ų78.872%0.71842%0.417SS*.THydrogen-bonded Turntrans-974173.655.10000114.1K78 I82K78-T80 PolarHBondContact O-N 3.1Å; T80-I82 PolarHBondContact O-N 2.92Å
81A83.4Confident71.3Confident0 Ų080.7 Ų80.70%042%0.419CS..  trans-69.3129.7-174.800000112.6R30 W34 F62 M66 L77 K78R30-A81 PolarHBondContact NE-O 2.99Å; R30-A81 VanDerWaalsContact NE-O 3.12Å; R30-A81 PolarHBondContact NH2-O 3.35Å; W34-A81 PolarHBondContact NE1-O 3.17Å; W34-A81 VanDerWaalsContact NE1-O 3.16Å; F62-A81 HydrophobicContact CD1-CB 4.46Å; M66-A81 HydrophobicContact CB-CB 3.79Å; M66-A81 HydrophobicContact CG-CB 4.38Å; M66-A81 HydrophobicContact SD-CB 4.18Å; L77-A81 HydrophobicContact CB-CB 3.88Å; L77-A81 HydrophobicContact CD1-CB 4.48Å; L77-A81 HydrophobicContact CD2-CB 4Å; L77-A81 HydrophobicContact CG-CB 4.34Å; K78-A81 HydrophobicContact CB-CB 4.49Å; K78-A81 VanDerWaalsContact O-CB 3.24Å; K78-A81 WeakPolarHBondContact O-CB 3.15Å; K78-A81 PolarHBondContact O-N 3.32Å
82I87.9Confident70.5Confident53 Ų5384.7 Ų84.727%0.27244%0.436SS..  trans-127.8142.4174.552.7169.8000109.5I33 T80 T84I33-I82 HydrophobicContact CG2-CB 4.29Å; I33-I82 HydrophobicContact CG2-CG2 3.79Å; T80-I82 PolarHBondContact O-N 2.92Å; I82-T84 HydrophobicContact CD1-CG2 4.15Å; I82-T84 HydrophobicContact CG1-CG2 4.09Å; I82-T84 PolarHBondContact O-N 3.47Å
83P87.7Confident69.6Low0 Ų086.9 Ų86.90%043%0.433CS..  trans-77123.9177.531.3-32.1000108.9W34 N37 L57 H61 F62 F86W34-P83 HydrophobicContact CB-CG 4.29Å; W34-P83 HydrophobicContact CD2-CG 4.06Å; W34-P83 HydrophobicContact CG-CG 3.93Å; N37-P83 HydrophobicContact CB-CG 4.34Å; N37-P83 VanDerWaalsContact CB-O 3.29Å; N37-P83 WeakPolarHBondContact CB-O 3.46Å; N37-P83 VanDerWaalsContact CG-O 3.31Å; N37-P83 PolarHBondContact ND2-O 3.06Å; L57-P83 HydrophobicContact CD1-CB 3.95Å; L57-P83 HydrophobicContact CD1-CG 3.75Å; H61-P83 HydrophobicContact CB-CB 4.23Å; H61-P83 CarbonylContact O-C 3.53Å; H61-P83 WeakPolarHBondContact O-CA 3.37Å; H61-P83 WeakPolarHBondContact O-CB 3.24Å; F62-P83 HydrophobicContact CD1-CB 4.15Å; F62-P83 HydrophobicContact CE1-CB 3.73Å; F62-P83 HydrophobicContact CE1-CG 4.13Å; F62-P83 HydrophobicContact CE2-CB 4.28Å; F62-P83 HydrophobicContact CZ-CB 3.79Å; F62-P83 HydrophobicContact CZ-CG 4.22Å; P83-F86 HydrophobicContact CB-CE2 3.95Å; P83-F86 HydrophobicContact CB-CZ 3.79Å; P83-F86 HydrophobicContact CG-CE2 4.39Å; P83-F86 HydrophobicContact CG-CZ 4.13Å; P83-F86 WeakPolarHBondContact O-CE2 3.22Å
84T85.2Confident68.5Low74 Ų7482.6 Ų82.645%0.45443%0.425SS..  trans-123.8-12.3-178.352.90000112.8H61 I82H61-T84 PolarHBondContact O-N 3.22Å; I82-T84 HydrophobicContact CD1-CG2 4.15Å; I82-T84 HydrophobicContact CG1-CG2 4.09Å; I82-T84 PolarHBondContact O-N 3.47Å
85I81.3Confident66.9Low77 Ų7780.3 Ų80.340%0.39543%0.431SS..  trans-100.496.9-172.8-52.6175.6000109.7H61H61-I85 WeakPolarHBondContact CA-O 3.38Å; H61-I85 PolarHBondContact ND1-O 3.42Å; H61-I85 PolarHBondContact O-N 3.19Å
86F83.4Confident64.6Low32 Ų3287.1 Ų87.114%0.1445%0.452CS..  trans-125.2135.8176.4-63.6-89000111.3A7 P8 N37 H61 P83 L88A7-F86 HydrophobicContact CB-CD1 3.94Å; A7-F86 HydrophobicContact CB-CE1 3.68Å; P8-F86 HydrophobicContact CG-CD1 4.03Å; N37-F86 HydrophobicContact CB-CE2 3.82Å; N37-F86 HydrophobicContact CB-CZ 4.28Å; N37-F86 WeakPolarHBondContact O-CD2 3.45Å; N37-F86 VanDerWaalsContact O-CE2 3.22Å; N37-F86 WeakPolarHBondContact O-CE2 3.2Å; N37-F86 WeakPolarHBondContact O-CZ 3.35Å; H61-F86 AromaticContact ND1-CD1 3.96Å; P83-F86 HydrophobicContact CB-CE2 3.95Å; P83-F86 HydrophobicContact CB-CZ 3.79Å; P83-F86 HydrophobicContact CG-CE2 4.39Å; P83-F86 HydrophobicContact CG-CZ 4.13Å; P83-F86 WeakPolarHBondContact O-CE2 3.22Å; F86-L88 HydrophobicContact CB-CD2 4.45Å; F86-L88 HydrophobicContact CB-CG 4.1Å; F86-L88 PolarHBondContact O-N 3.24Å
87D65.9Low62.1Low89 Ų8991.3 Ų91.348%0.47648%0.478SS..  trans-90.584.7175.6-170.4-6.5000109.1N9 T89 S90N9-D87 PolarHBondContact ND2-O 3.19Å; D87-T89 VanDerWaalsContact C-N 3.29Å; D87-S90 PolarHBondContact OD1-N 3.03Å
88L60.3Low59.5Low77 Ų77102.2 Ų102.240%0.40352%0.518SS..THydrogen-bonded Turntrans-83.1-2.2-176-66.6166.9000112.9P8 F86 H91P8-L88 HydrophobicContact CG-CD2 4.28Å; F86-L88 HydrophobicContact CB-CD2 4.45Å; F86-L88 HydrophobicContact CB-CG 4.1Å; F86-L88 PolarHBondContact O-N 3.24Å; L88-H91 PolarHBondContact O-CE1 3.4Å
89T48.6Very low57Low74 Ų74107 Ų10745%0.45454%0.541SS..THydrogen-bonded Turntrans-114.95.3-176.957.60000113.8D87 H91 L92D87-T89 VanDerWaalsContact C-N 3.29Å; T89-H91 PolarHBondContact O-N 3.29Å; T89-L92 WeakPolarHBondContact O-CB 3.41Å; T89-L92 PolarHBondContact O-N 3.24Å
90S48.4Very low54.8Low39 Ų39111.7 Ų111.727%0.27355%0.548SS..G310 helixtrans-62-22.3-17272.40000115.4N9 D87 L92N9-S90 WeakPolarHBondContact CB-OG 3.07Å; N9-S90 PolarHBondContact ND2-OG 3.46Å; D87-S90 PolarHBondContact OD1-N 3.03Å; S90-L92 VanDerWaalsContact C-N 3.27Å
91H46.4Very low52.4Low136 Ų136115.6 Ų115.663%0.6356%0.555SS**G310 helixtrans-77.4-11.8175.945-82.9000113.3L88 T89L88-H91 PolarHBondContact O-CE1 3.4Å; T89-H91 PolarHBondContact O-N 3.29Å
92L41.6Very low49.7Very low135 Ų135124.6 Ų124.671%0.70760%0.598SS**G310 helixtrans-91.6-4.7175.6-62.2168.8000112.8T89 S90T89-L92 WeakPolarHBondContact O-CB 3.41Å; T89-L92 PolarHBondContact O-N 3.24Å; S90-L92 VanDerWaalsContact C-N 3.27Å
93K36Very low47Very low168 Ų168130 Ų13073%0.7363%0.625SS**SBendtrans-128.117.2-168.1-74.8-169.2177-179.10117.3
94N31Very low44.3Very low134 Ų134139.1 Ų139.172%0.71767%0.665SS**  trans-148.8112.8170.4-131.3-18000116.4Y96N94-Y96 PolarHBondContact O-N 2.92Å
95P33Very low41.9Very low114 Ų114144.5 Ų144.574%0.7469%0.685SS**  trans-84.31.5-178.430.1-30.3000115.3
96Y32.1Very low39.8Very low194 Ų194145.9 Ų145.976%0.76169%0.693SS**  trans-116.478.7-175.9-73.6-84.9000112.9N94N94-Y96 PolarHBondContact O-N 2.92Å
97T30.1Very low38.2Very low142 Ų142148.2 Ų148.287%0.87171%0.71SS**  trans-178.985.7139.642.70000110
98R30.8Very low37.3Very low249 Ų249150.2 Ų150.294%0.9472%0.72SS**  trans-12688.4159.8-79.1-174.1179178.71.3108.9R100R98-R100 PolarHBondContact O-N 3.08Å
99H29.6Very low36.6Very low199 Ų199153 Ų15392%0.92173%0.731SS**  trans-78.1104.6156.5-102.2-56.1000108.4K101H99-K101 PolarHBondContact O-N 3.2Å
100R29.4Very low36.6Very low242 Ų242152.2 Ų152.291%0.91372%0.724SS**  trans-47.9118.8173.9-155.3177.1-163.1173.44.1110.8R98R98-R100 PolarHBondContact O-N 3.08Å
101K29.1Very low36.7Very low199 Ų199153.7 Ų153.787%0.86573%0.728SS**  trans-99.3127.2154.9-79.1-171.8177.9-178.40108H99H99-K101 PolarHBondContact O-N 3.2Å
102Q25.1Very low36.7Very low190 Ų190153.1 Ų153.189%0.88873%0.726SS**  trans-41.1132.4177.8-111.3164.8-1400113.2
103I32Very low37.2Very low167 Ų167153.7 Ų153.786%0.85672%0.719SS**PPolyproline II helixtrans-72.4125.4168.8-63.3170.9000107.1
104K32Very low37.9Very low191 Ų191149.2 Ų149.283%0.8370%0.702SS**PPolyproline II helixtrans-80.6122.5174.4-154.1179.8-176-169.70107.3L106K104-L106 PolarHBondContact O-N 3.18Å
105E34.3Very low38.7Very low187 Ų187149.3 Ų149.387%0.87470%0.696SS**PPolyproline II helixtrans-62.2128.7171.6-76177.4157.400109.4
106L37.6Very low39.3Very low106 Ų106149.7 Ų149.756%0.55569%0.688SS**PPolyproline II helixtrans-77.2133-179-70.9158.7000108.9K104 D110 I114K104-L106 PolarHBondContact O-N 3.18Å; L106-D110 HydrophobicContact CB-CB 4.01Å; L106-D110 HydrophobicContact CD2-CB 3.73Å; L106-D110 HydrophobicContact CG-CB 4.47Å; L106-I114 HydrophobicContact CD1-CD1 4.28Å
107T49.1Very low39.9Very low81 Ų81149.9 Ų149.950%0.49769%0.687SS.*PPolyproline II helixtrans-75.6163177.553.90000111E109 D110 I111T107-E109 PolarHBondContact O-N 3.23Å; T107-E109 VanDerWaalsContact O-N 3.12Å; T107-D110 WeakPolarHBondContact O-CA 3.45Å; T107-D110 WeakPolarHBondContact O-CB 3.45Å; T107-D110 PolarHBondContact O-N 2.89Å; T107-D110 PolarHBondContact OG1-OD2 3.45Å; T107-I111 PolarHBondContact O-N 3.32Å
108D46.2Very low40.7Very low131 Ų131152.2 Ų152.270%0.70168%0.68SS**Hα-helixtrans-57.1-29.2179-71.1-37.9000112.9I111 Q112D108-I111 PolarHBondContact O-N 2.97Å; D108-Q112 VanDerWaalsContact O-CB 3.32Å; D108-Q112 WeakPolarHBondContact O-CB 3.37Å; D108-Q112 PolarHBondContact O-N 3.09Å
109E46.3Very low41.2Very low135 Ų135145.5 Ų145.563%0.63166%0.662SS**Hα-helixtrans-67-36.5171.8-70.1-173164.600113T107 Q112 R113T107-E109 PolarHBondContact O-N 3.23Å; T107-E109 VanDerWaalsContact O-N 3.12Å; E109-Q112 PolarHBondContact O-N 2.87Å; E109-R113 WeakPolarHBondContact O-CG 3.38Å; E109-R113 PolarHBondContact O-N 3.44Å
110D47.8Very low41.8Very low57 Ų57138.5 Ų138.531%0.30564%0.639SS.*Hα-helixtrans-70.3-37175.2-70.8-35.1000110.8L106 T107 Q112 R113 I114L106-D110 HydrophobicContact CB-CB 4.01Å; L106-D110 HydrophobicContact CD2-CB 3.73Å; L106-D110 HydrophobicContact CG-CB 4.47Å; T107-D110 WeakPolarHBondContact O-CA 3.45Å; T107-D110 WeakPolarHBondContact O-CB 3.45Å; T107-D110 PolarHBondContact O-N 2.89Å; T107-D110 PolarHBondContact OG1-OD2 3.45Å; D110-Q112 VanDerWaalsContact C-N 3.33Å; D110-R113 PolarHBondContact O-N 2.95Å; D110-I114 WeakPolarHBondContact O-CB 3.49Å; D110-I114 WeakPolarHBondContact O-CD1 3.34Å; D110-I114 WeakPolarHBondContact O-CG1 3.31Å; D110-I114 PolarHBondContact O-N 3.45Å
111I50.5Low42.2Very low71 Ų71130.5 Ų130.536%0.36462%0.62SS.*Hα-helixtrans-66.1-38.1173.4-62.2174.1000110.5T107 D108 I114 K115T107-I111 PolarHBondContact O-N 3.32Å; D108-I111 PolarHBondContact O-N 2.97Å; I111-I114 PolarHBondContact O-N 2.84Å; I111-K115 WeakPolarHBondContact O-CG 3.49Å; I111-K115 PolarHBondContact O-N 3.21Å
112Q46.8Very low42.5Very low123 Ų123123.3 Ų123.358%0.57560%0.598SS**Hα-helixtrans-70.1-39.4178-161.7152.6-2.900111.8D108 E109 D110 I114 K115 E116D108-Q112 VanDerWaalsContact O-CB 3.32Å; D108-Q112 WeakPolarHBondContact O-CB 3.37Å; D108-Q112 PolarHBondContact O-N 3.09Å; E109-Q112 PolarHBondContact O-N 2.87Å; D110-Q112 VanDerWaalsContact C-N 3.33Å; Q112-I114 VanDerWaalsContact C-N 3.32Å; Q112-I114 PolarHBondContact O-N 2.73Å; Q112-K115 PolarHBondContact O-N 3.26Å; Q112-E116 WeakPolarHBondContact O-CG 3.44Å; Q112-E116 PolarHBondContact O-N 3.47Å
113R51.7Low42.9Very low147 Ų147120.9 Ų120.956%0.55559%0.587SS**Hα-helixtrans-64.8-33.4170.6-75178.2-1741745.7113.2E109 D110 R117E109-R113 WeakPolarHBondContact O-CG 3.38Å; E109-R113 PolarHBondContact O-N 3.44Å; D110-R113 PolarHBondContact O-N 2.95Å; R113-R117 WeakPolarHBondContact O-CB 3.25Å; R113-R117 WeakPolarHBondContact O-CG 3Å; R113-R117 PolarHBondContact O-N 2.84Å
114I50.7Low43Very low74 Ų74120.7 Ų120.738%0.37958%0.582SS.*Hα-helixtrans-71.6-37.2174.4-68.7163.2000110.6L106 D110 I111 Q112 R117 R118L106-I114 HydrophobicContact CD1-CD1 4.28Å; D110-I114 WeakPolarHBondContact O-CB 3.49Å; D110-I114 WeakPolarHBondContact O-CD1 3.34Å; D110-I114 WeakPolarHBondContact O-CG1 3.31Å; D110-I114 PolarHBondContact O-N 3.45Å; I111-I114 PolarHBondContact O-N 2.84Å; Q112-I114 VanDerWaalsContact C-N 3.32Å; Q112-I114 PolarHBondContact O-N 2.73Å; I114-R117 PolarHBondContact O-N 3.21Å; I114-R118 WeakPolarHBondContact O-CB 3.45Å; I114-R118 WeakPolarHBondContact O-CG 3.37Å; I114-R118 PolarHBondContact O-N 3.14Å
115K48Very low43Very low136 Ų136117.1 Ų117.159%0.59158%0.576SS**Hα-helixtrans-66.7-41.4172.5-79.1-179.3176.9177.80112.2I111 Q112 R118 L119I111-K115 WeakPolarHBondContact O-CG 3.49Å; I111-K115 PolarHBondContact O-N 3.21Å; Q112-K115 PolarHBondContact O-N 3.26Å; K115-R118 PolarHBondContact O-N 2.91Å; K115-L119 WeakPolarHBondContact O-CB 3.46Å; K115-L119 WeakPolarHBondContact O-CG 3.4Å; K115-L119 PolarHBondContact O-N 3.11Å
116E46.9Very low42.9Very low123 Ų123115.5 Ų115.558%0.57557%0.572SS**Hα-helixtrans-64.4-38.5173.9-76.3175.1173.900111.9Q112 L119 A120Q112-E116 WeakPolarHBondContact O-CG 3.44Å; Q112-E116 PolarHBondContact O-N 3.47Å; E116-L119 PolarHBondContact O-N 3.44Å; E116-A120 VanDerWaalsContact O-CB 3.31Å; E116-A120 WeakPolarHBondContact O-CB 3.19Å; E116-A120 PolarHBondContact O-N 3.06Å
117R44.8Very low42.5Very low198 Ų198119.2 Ų119.275%0.74758%0.584SS**Hα-helixtrans-67.1-34172.2-78.5179.8-175.1178.72.1113.2R113 I114 S121R113-R117 WeakPolarHBondContact O-CB 3.25Å; R113-R117 WeakPolarHBondContact O-CG 3Å; R113-R117 PolarHBondContact O-N 2.84Å; I114-R117 PolarHBondContact O-N 3.21Å; R117-S121 WeakPolarHBondContact O-CB 3.42Å; R117-S121 PolarHBondContact O-N 3.11Å
118R46Very low41.6Very low190 Ų190124.9 Ų124.972%0.71760%0.601SS**Hα-helixtrans-73.8-35.6175.1-79.5-175.1171.5-174.2-2.2112.4I114 K115 S121 A122I114-R118 WeakPolarHBondContact O-CB 3.45Å; I114-R118 WeakPolarHBondContact O-CG 3.37Å; I114-R118 PolarHBondContact O-N 3.14Å; K115-R118 PolarHBondContact O-N 2.91Å; R118-S121 PolarHBondContact O-N 3.21Å; R118-A122 WeakPolarHBondContact O-CB 3.48Å; R118-A122 PolarHBondContact O-N 2.94Å
119L41.8Very low41.1Very low108 Ų108127.3 Ų127.357%0.56561%0.609SS**Hα-helixtrans-69-40.1172.4-78.1158.3000111.3K115 E116 S121 A122 E123K115-L119 WeakPolarHBondContact O-CB 3.46Å; K115-L119 WeakPolarHBondContact O-CG 3.4Å; K115-L119 PolarHBondContact O-N 3.11Å; E116-L119 PolarHBondContact O-N 3.44Å; L119-S121 VanDerWaalsContact C-N 3.32Å; L119-S121 PolarHBondContact O-N 2.87Å; L119-A122 PolarHBondContact O-N 3.33Å; L119-E123 WeakPolarHBondContact O-CB 3.25Å; L119-E123 WeakPolarHBondContact O-CG 3.46Å; L119-E123 PolarHBondContact O-N 3.44Å
120A41.2Very low40.6Very low53 Ų53128.5 Ų128.544%0.43862%0.619SS.*Hα-helixtrans-65.5-32.8172.800000113E116 Q124E116-A120 VanDerWaalsContact O-CB 3.31Å; E116-A120 WeakPolarHBondContact O-CB 3.19Å; E116-A120 PolarHBondContact O-N 3.06Å; A120-Q124 WeakPolarHBondContact O-CG 3.34Å; A120-Q124 PolarHBondContact O-N 3.38Å
121S37.7Very low39.7Very low73 Ų73134 Ų13451%0.5165%0.648SS.*Hα-helixtrans-73-29.8173.1-179.70000113R117 R118 L119 T125R117-S121 WeakPolarHBondContact O-CB 3.42Å; R117-S121 PolarHBondContact O-N 3.11Å; R118-S121 PolarHBondContact O-N 3.21Å; L119-S121 VanDerWaalsContact C-N 3.32Å; L119-S121 PolarHBondContact O-N 2.87Å; S121-T125 PolarHBondContact O-OG1 2.73Å; S121-T125 VanDerWaalsContact O-OG1 3.12Å
122A36.4Very low39.1Very low49 Ų49135.4 Ų135.441%0.40566%0.664SS.*Hα-helixtrans-84-30.2177.200000112.4R118 L119 Q124 T125R118-A122 WeakPolarHBondContact O-CB 3.48Å; R118-A122 PolarHBondContact O-N 2.94Å; L119-A122 PolarHBondContact O-N 3.33Å; A122-Q124 VanDerWaalsContact C-N 3.27Å; A122-Q124 PolarHBondContact O-N 3.11Å; A122-T125 PolarHBondContact O-N 2.8Å
123E33.4Very low38.6Very low139 Ų139136.8 Ų136.865%0.6568%0.675SS**Hα-helixtrans-71.8-20.5171.6-75.9-179.8168.900112.7L119 T125L119-E123 WeakPolarHBondContact O-CB 3.25Å; L119-E123 WeakPolarHBondContact O-CG 3.46Å; L119-E123 PolarHBondContact O-N 3.44Å; E123-T125 VanDerWaalsContact C-N 3.29Å
124Q34.2Very low37.6Very low163 Ų163137.9 Ų137.976%0.76269%0.69SS**THydrogen-bonded Turntrans-76.7-10.8170-81.8-178.8-18.700113.8A120 A122A120-Q124 WeakPolarHBondContact O-CG 3.34Å; A120-Q124 PolarHBondContact O-N 3.38Å; A122-Q124 VanDerWaalsContact C-N 3.27Å; A122-Q124 PolarHBondContact O-N 3.11Å
125T31.7Very low37Very low115 Ų115138 Ų13871%0.70670%0.702SS**THydrogen-bonded Turntrans-99.4-4.7179.4-19.80000113.6S121 A122 E123S121-T125 PolarHBondContact O-OG1 2.73Å; S121-T125 VanDerWaalsContact O-OG1 3.12Å; A122-T125 PolarHBondContact O-N 2.8Å; E123-T125 VanDerWaalsContact C-N 3.29Å
126I32.8Very low36.6Very low153 Ų153136.9 Ų136.979%0.78570%0.703SS**SBendtrans-118.65.4-177.4-60.2177.9000113
127K29.1Very low36.1Very low184 Ų184139 Ų13980%0.872%0.718SS**  trans-122.265.7172-73.5-177179.61740111.9
128K30.6Very low35.8Very low200 Ų200137.3 Ų137.387%0.8772%0.719SS**  trans-135.738.4162.3-113.3-169.8-178.2-171.90111
129E35.5Very low35.8Very low182 Ų182133.9 Ų133.985%0.8572%0.721SS**SBendtrans-129.2134.7153.8-75.5-176.916000105.6
130D34.7Very low36.4Very low161 Ų161136.1 Ų136.186%0.86173%0.729SS**SBendtrans69.983.4-171.4-63.6-22000117
131L28.9Very low37.5Very low173 Ų173137.5 Ų137.591%0.90673%0.728SS**  -168.1108.6126.7-96.2164.8000108.8
132S38.6Very low39.6Very low100 Ų100136.3 Ų136.370%0.69972%0.72SS**  trans-58.3141.216339.40000110.8
133N35.5Very low41.7Very low151 Ų151137.8 Ų137.881%0.80773%0.732SS**  trans84.472.8169.3-51.4-31.1000118.2
134I30.6Very low43.9Very low170 Ų170137.2 Ų137.287%0.87273%0.734SS**  trans-143.8100.5131.9-57.7-174.8000107.1
135A37.9Very low46.3Very low76 Ų76134.2 Ų134.263%0.62872%0.719SS**  trans-78.1156.7163.600000109.8
136D39.7Very low48.9Very low113 Ų113134.9 Ų134.960%0.60471%0.713SS**  trans85.881.4161.4-52.6-24.4000118Q140D136-Q140 PolarHBondContact OD1-NE2 2.97Å; D136-Q140 VanDerWaalsContact OD1-NE2 3.09Å
137N36.2Very low51.5Low168 Ų168130.2 Ų130.290%0.89869%0.687SS**  -178.447.8124.1-96.4-19.1000113.1
138E38.5Very low54.3Low162 Ų162122.7 Ų122.776%0.75765%0.654SS**SBendtrans-89.3141.8143.1-80.9174.1173.100106Q140E138-Q140 PolarHBondContact O-N 3.17Å
139P46.6Very low57.3Low119 Ų119116.4 Ų116.477%0.77363%0.625SS**  trans-56108.2168.722.6-28.8000106.8L141P139-L141 PolarHBondContact O-N 3.32Å
140Q54.3Low60Low155 Ų155110.3 Ų110.372%0.72460%0.599SS**  trans-66.3107.6179.2-76.4-177-500106.5D136 E138 S142D136-Q140 PolarHBondContact OD1-NE2 2.97Å; D136-Q140 VanDerWaalsContact OD1-NE2 3.09Å; E138-Q140 PolarHBondContact O-N 3.17Å; Q140-S142 PolarHBondContact O-N 2.94Å
141L64.7Low62.7Low81 Ų81102.9 Ų102.942%0.42456%0.558SS.*  trans-53.2135.3171-62.4177.4000108P139 E145P139-L141 PolarHBondContact O-N 3.32Å; L141-E145 VanDerWaalsContact CA-OE2 3.3Å; L141-E145 WeakPolarHBondContact CA-OE2 3.41Å; L141-E145 HydrophobicContact CB-CB 4.31Å
142S81.2Confident65.8Low49 Ų4994.7 Ų94.734%0.34352%0.515SS..  trans-60.2156.9175.580.80000109.7Q140 D144 E145 K146Q140-S142 PolarHBondContact O-N 2.94Å; S142-D144 PolarHBondContact O-N 3.19Å; S142-E145 PolarHBondContact N-OE2 2.83Å; S142-E145 PolarHBondContact O-N 3.42Å; S142-E145 WeakPolarHBondContact OG-CB 3.47Å; S142-E145 VanDerWaalsContact OG-CG 3.27Å; S142-E145 WeakPolarHBondContact OG-CG 3.46Å; S142-E145 PolarHBondContact OG-N 3.13Å; S142-K146 PolarHBondContact O-N 3.2Å
143A80.2Confident68.5Low80 Ų8093.3 Ų93.366%0.66150%0.495SS*.Hα-helixtrans-56.8-36.4176.700000111.4K146 E147A143-K146 PolarHBondContact O-N 2.85Å; A143-E147 WeakPolarHBondContact O-CB 3.42Å; A143-E147 PolarHBondContact O-N 2.98Å
144D80.6Confident71.3Confident126 Ų12686.8 Ų86.867%0.67446%0.461SS*.Hα-helixtrans-70.8-40.9178.9-56.1-27.2000111.8S142 K146 E147 Y148S142-D144 PolarHBondContact O-N 3.19Å; D144-K146 VanDerWaalsContact C-N 3.33Å; D144-K146 PolarHBondContact O-N 2.86Å; D144-E147 PolarHBondContact O-N 3.22Å; D144-Y148 WeakPolarHBondContact O-CB 3.24Å; D144-Y148 PolarHBondContact O-N 3.43Å
145E83.9Confident74.3Confident100 Ų10078.7 Ų78.747%0.46742%0.419SS..Hα-helixtrans-63-40.6174.6-78.2172.7171.100111.7L141 S142 R149L141-E145 VanDerWaalsContact CA-OE2 3.3Å; L141-E145 WeakPolarHBondContact CA-OE2 3.41Å; L141-E145 HydrophobicContact CB-CB 4.31Å; S142-E145 PolarHBondContact N-OE2 2.83Å; S142-E145 PolarHBondContact O-N 3.42Å; S142-E145 WeakPolarHBondContact OG-CB 3.47Å; S142-E145 VanDerWaalsContact OG-CG 3.27Å; S142-E145 WeakPolarHBondContact OG-CG 3.46Å; S142-E145 PolarHBondContact OG-N 3.13Å; E145-R149 WeakPolarHBondContact O-CB 3.29Å; E145-R149 WeakPolarHBondContact O-CG 3.49Å; E145-R149 PolarHBondContact O-N 3Å
146K87Confident77Confident130 Ų13075 Ų7557%0.56539%0.39SS*.Hα-helixtrans-65.4-45176.8-173.9178.5178.2-179.30111.1S142 A143 D144 Y148 R149 D150S142-K146 PolarHBondContact O-N 3.2Å; A143-K146 PolarHBondContact O-N 2.85Å; D144-K146 VanDerWaalsContact C-N 3.33Å; D144-K146 PolarHBondContact O-N 2.86Å; K146-Y148 VanDerWaalsContact C-N 3.34Å; K146-Y148 PolarHBondContact O-N 3.36Å; K146-R149 PolarHBondContact O-N 3.38Å; K146-D150 PolarHBondContact O-N 2.85Å
147E87.3Confident79.6Confident54 Ų5474.5 Ų74.525%0.25238%0.383SS..Hα-helixtrans-62.5-40.9178.4-171.7167.4134.800112A143 D144 D150 Y151 K201A143-E147 WeakPolarHBondContact O-CB 3.42Å; A143-E147 PolarHBondContact O-N 2.98Å; D144-E147 PolarHBondContact O-N 3.22Å; E147-D150 PolarHBondContact O-N 3.29Å; E147-Y151 WeakPolarHBondContact O-CB 3.41Å; E147-Y151 PolarHBondContact O-N 3.33Å; E147-K201 HydrophobicContact CG-CD 4.36Å; E147-K201 WeakPolarHBondContact OE1-CB 3.4Å; E147-K201 WeakPolarHBondContact OE1-CD 3.38Å; E147-K201 WeakPolarHBondContact OE2-CD 3.39Å; E147-K201 IonicContact OE2-NZ 3.49Å; E147-K201 PolarHBondContact OE2-NZ 3.39Å
148Y88.5Confident82.4Confident26 Ų2666.9 Ų66.910%0.10234%0.342CS..Hα-helixtrans-64.5-41175.4-176.1-116.3000112.9D144 K146 Y151 L152 E729D144-Y148 WeakPolarHBondContact O-CB 3.24Å; D144-Y148 PolarHBondContact O-N 3.43Å; K146-Y148 VanDerWaalsContact C-N 3.34Å; K146-Y148 PolarHBondContact O-N 3.36Å; Y148-Y151 HydrophobicContact CD2-CD1 4.04Å; Y148-Y151 HydrophobicContact CE2-CD1 4.11Å; Y148-Y151 HydrophobicContact CE2-CE1 4.33Å; Y148-Y151 WeakPolarHBondContact O-CB 3.46Å; Y148-Y151 PolarHBondContact O-N 3.02Å; Y148-L152 HydrophobicContact CD1-CD1 3.93Å; Y148-L152 HydrophobicContact CD1-CG 4.49Å; Y148-L152 HydrophobicContact CE1-CD1 3.54Å; Y148-L152 HydrophobicContact CE1-CG 4.2Å; Y148-L152 HydrophobicContact CE2-CG 4.47Å; Y148-L152 WeakPolarHBondContact O-CG 3.47Å; Y148-L152 PolarHBondContact O-N 3.19Å; Y148-E729 VanDerWaalsContact CE2-OE1 3.28Å; Y148-E729 WeakPolarHBondContact CE2-OE1 3.33Å; Y148-E729 PolarHBondContact OH-OE1 3.26Å
149R92.8Very high85Confident68 Ų6859.1 Ų59.126%0.25731%0.306SS..Hα-helixtrans-62.9-41.6175.5-74.9171.1165.6-109.9-10.5112E145 K146 L152 R153 V720 D721E145-R149 WeakPolarHBondContact O-CB 3.29Å; E145-R149 WeakPolarHBondContact O-CG 3.49Å; E145-R149 PolarHBondContact O-N 3Å; K146-R149 PolarHBondContact O-N 3.38Å; R149-L152 PolarHBondContact O-N 3.17Å; R149-R153 PolarHBondContact O-N 2.94Å; R149-V720 HydrophobicContact CB-CG1 3.68Å; R149-V720 HydrophobicContact CG-CG1 3.6Å; R149-D721 IonicContact CZ-OD1 3.9Å; R149-D721 IonicContact NH1-OD1 3.94Å; R149-D721 PolarHBondContact NH1-OD1 3.39Å; R149-D721 IonicContact NH2-OD1 3.98Å; R149-D721 PolarHBondContact NH2-OD1 2.68Å
150D92.1Very high87.2Confident55 Ų5554.5 Ų54.529%0.29427%0.274SS..Hα-helixtrans-66.2-39.4175.8-70.9-23.9000111.3K146 E147 R153 S154 A198K146-D150 PolarHBondContact O-N 2.85Å; E147-D150 PolarHBondContact O-N 3.29Å; D150-R153 WeakPolarHBondContact O-CB 3.38Å; D150-R153 PolarHBondContact O-N 3.2Å; D150-R153 IonicContact OD1-NE 3.73Å; D150-S154 PolarHBondContact O-N 3.21Å; D150-S154 PolarHBondContact O-OG 3.01Å; D150-A198 HydrophobicContact CB-CB 3.89Å
151Y91.9Very high89Confident5 Ų550.8 Ų50.82%0.0226%0.258CS..Hα-helixtrans-57.9-49171.6162.8-100.2000112.3E147 Y148 R153 S154 L155 L199 R202 Y212E147-Y151 WeakPolarHBondContact O-CB 3.41Å; E147-Y151 PolarHBondContact O-N 3.33Å; Y148-Y151 HydrophobicContact CD2-CD1 4.04Å; Y148-Y151 HydrophobicContact CE2-CD1 4.11Å; Y148-Y151 HydrophobicContact CE2-CE1 4.33Å; Y148-Y151 WeakPolarHBondContact O-CB 3.46Å; Y148-Y151 PolarHBondContact O-N 3.02Å; Y151-R153 VanDerWaalsContact C-N 3.32Å; Y151-R153 PolarHBondContact O-N 3.19Å; Y151-S154 PolarHBondContact O-N 3.09Å; Y151-L155 HydrophobicContact CD1-CD1 4.25Å; Y151-L155 HydrophobicContact CE1-CD1 3.57Å; Y151-L155 HydrophobicContact CE2-CD1 3.95Å; Y151-L155 HydrophobicContact CE2-CD2 4.45Å; Y151-L155 HydrophobicContact CE2-CG 4.23Å; Y151-L155 VanDerWaalsContact CZ-CD1 3.41Å; Y151-L155 WeakPolarHBondContact O-CG 3.39Å; Y151-L155 PolarHBondContact O-N 3.38Å; Y151-L155 VanDerWaalsContact O-N 3.11Å; Y151-L199 HydrophobicContact CD2-CD2 3.67Å; Y151-L199 HydrophobicContact CE2-CD2 3.84Å; Y151-R202 HydrophobicContact CD1-CG 4.39Å; Y151-R202 HydrophobicContact CD2-CB 3.74Å; Y151-R202 HydrophobicContact CD2-CG 3.85Å; Y151-R202 HydrophobicContact CE1-CG 4.35Å; Y151-R202 HydrophobicContact CE2-CB 4.01Å; Y151-R202 HydrophobicContact CE2-CG 3.83Å; Y151-R202 HydrophobicContact CG-CB 4.28Å; Y151-R202 HydrophobicContact CG-CG 4.14Å; Y151-Y212 HydrophobicContact CE2-CE1 4.42Å
152L93.8Very high90.4Very high0 Ų047 Ų470%024%0.238CC..Hα-helixtrans-62.3-39.3177-70.3174.9000111.9Y148 R149 S154 L155 F156 L221 V720 Y723Y148-L152 HydrophobicContact CD1-CD1 3.93Å; Y148-L152 HydrophobicContact CD1-CG 4.49Å; Y148-L152 HydrophobicContact CE1-CD1 3.54Å; Y148-L152 HydrophobicContact CE1-CG 4.2Å; Y148-L152 HydrophobicContact CE2-CG 4.47Å; Y148-L152 WeakPolarHBondContact O-CG 3.47Å; Y148-L152 PolarHBondContact O-N 3.19Å; R149-L152 PolarHBondContact O-N 3.17Å; L152-S154 PolarHBondContact O-N 3.4Å; L152-L155 PolarHBondContact O-N 3.15Å; L152-F156 HydrophobicContact CB-CE2 4.31Å; L152-F156 WeakPolarHBondContact O-CD2 3.44Å; L152-F156 PolarHBondContact O-N 3.49Å; L152-L221 HydrophobicContact CD2-CD2 4.07Å; L152-V720 HydrophobicContact CB-CG1 4.32Å; L152-V720 HydrophobicContact CB-CG2 3.9Å; L152-V720 HydrophobicContact CD1-CG1 4.25Å; L152-Y723 HydrophobicContact CD1-CD1 3.48Å; L152-Y723 VanDerWaalsContact CD1-CD1 3.48Å; L152-Y723 HydrophobicContact CD1-CE1 4.06Å; L152-Y723 HydrophobicContact CD1-CG 4.13Å; L152-Y723 HydrophobicContact CD2-CD1 3.81Å; L152-Y723 HydrophobicContact CD2-CE1 3.74Å; L152-Y723 HydrophobicContact CD2-CG 4.27Å; L152-Y723 HydrophobicContact CG-CD1 4.32Å
153R95.3Very high90.9Very high71 Ų7144.6 Ų44.627%0.26822%0.221SC..Hα-helixtrans-56.5-50.1175.5-170.4-165.2-57.8-100.6-3.5110.7R149 D150 Y151 L155 F156 E157 L716 D717 V720R149-R153 PolarHBondContact O-N 2.94Å; D150-R153 WeakPolarHBondContact O-CB 3.38Å; D150-R153 PolarHBondContact O-N 3.2Å; D150-R153 IonicContact OD1-NE 3.73Å; Y151-R153 VanDerWaalsContact C-N 3.32Å; Y151-R153 PolarHBondContact O-N 3.19Å; R153-L155 VanDerWaalsContact C-N 3.32Å; R153-L155 PolarHBondContact O-N 2.89Å; R153-F156 PolarHBondContact O-N 2.81Å; R153-E157 PolarHBondContact O-N 3.12Å; R153-L716 HydrophobicContact CG-CB 4.07Å; R153-L716 HydrophobicContact CG-CD1 4.16Å; R153-D717 IonicContact CZ-OD1 3Å; R153-D717 IonicContact CZ-OD2 2.96Å; R153-D717 VanDerWaalsContact NH1-CG 3.31Å; R153-D717 IonicContact NH1-OD1 2.93Å; R153-D717 PolarHBondContact NH1-OD1 3.33Å; R153-D717 IonicContact NH1-OD2 3.22Å; R153-D717 PolarHBondContact NH1-OD2 3.09Å; R153-D717 IonicContact NH2-OD1 2.8Å; R153-D717 PolarHBondContact NH2-OD1 3.23Å; R153-D717 IonicContact NH2-OD2 3.61Å; R153-V720 HydrophobicContact CB-CG2 4.16Å
154S94.4Very high91.4Very high14 Ų1446.8 Ų46.810%0.09822%0.216CC..Hα-helixtrans-59.3-41.5177.6-65.10000112.3D150 Y151 L152 E157 I158 D196D150-S154 PolarHBondContact O-N 3.21Å; D150-S154 PolarHBondContact O-OG 3.01Å; Y151-S154 PolarHBondContact O-N 3.09Å; L152-S154 PolarHBondContact O-N 3.4Å; S154-E157 PolarHBondContact O-N 2.8Å; S154-I158 VanDerWaalsContact O-CG1 3.29Å; S154-I158 WeakPolarHBondContact O-CG1 3.49Å; S154-I158 PolarHBondContact O-N 3.35Å; S154-D196 WeakPolarHBondContact CB-OD2 3.31Å; S154-D196 PolarHBondContact OG-OD2 3.19Å
155L93.8Very high91.9Very high0 Ų046.5 Ų46.50%021%0.211CC..Hα-helixtrans-64.1-42.7176.9-67.7-178.7000112.7Y151 L152 R153 I158 L159 F184 I188 L199 L213 L221Y151-L155 HydrophobicContact CD1-CD1 4.25Å; Y151-L155 HydrophobicContact CE1-CD1 3.57Å; Y151-L155 HydrophobicContact CE2-CD1 3.95Å; Y151-L155 HydrophobicContact CE2-CD2 4.45Å; Y151-L155 HydrophobicContact CE2-CG 4.23Å; Y151-L155 VanDerWaalsContact CZ-CD1 3.41Å; Y151-L155 WeakPolarHBondContact O-CG 3.39Å; Y151-L155 PolarHBondContact O-N 3.38Å; Y151-L155 VanDerWaalsContact O-N 3.11Å; L152-L155 PolarHBondContact O-N 3.15Å; R153-L155 VanDerWaalsContact C-N 3.32Å; R153-L155 PolarHBondContact O-N 2.89Å; L155-I158 PolarHBondContact O-N 3.23Å; L155-L159 WeakPolarHBondContact O-CG 3.12Å; L155-L159 PolarHBondContact O-N 2.89Å; L155-F184 HydrophobicContact CD2-CZ 4.12Å; L155-I188 HydrophobicContact CD2-CD1 3.84Å; L155-I188 HydrophobicContact CD2-CG1 4.19Å; L155-L199 HydrophobicContact CD2-CD2 3.89Å; L155-L199 HydrophobicContact CG-CD2 4.24Å; L155-L213 HydrophobicContact CD1-CD1 3.56Å; L155-L213 HydrophobicContact CD2-CD1 3.98Å; L155-L213 HydrophobicContact CG-CD1 4.42Å; L155-L221 HydrophobicContact CB-CD1 4.19Å; L155-L221 HydrophobicContact CD1-CD1 3.83Å
156F95.3Very high92.3Very high0 Ų042.4 Ų42.40%019%0.194CC..Hα-helixtrans-62.2-44.1175.5-73.8-53.6000111.5L152 R153 I158 L159 F160 L221 V224 C225 L716 M719 V720 Y723L152-F156 HydrophobicContact CB-CE2 4.31Å; L152-F156 WeakPolarHBondContact O-CD2 3.44Å; L152-F156 PolarHBondContact O-N 3.49Å; R153-F156 PolarHBondContact O-N 2.81Å; F156-I158 VanDerWaalsContact C-N 3.33Å; F156-I158 PolarHBondContact O-N 3.39Å; F156-L159 PolarHBondContact O-N 3.35Å; F156-F160 WeakPolarHBondContact O-CD2 3.34Å; F156-F160 PolarHBondContact O-N 3.1Å; F156-L221 HydrophobicContact CD1-CD2 4.1Å; F156-L221 HydrophobicContact CE1-CB 4.11Å; F156-L221 HydrophobicContact CE1-CD2 3.54Å; F156-L221 HydrophobicContact CE1-CG 4.45Å; F156-L221 HydrophobicContact CE2-CD2 4.13Å; F156-L221 HydrophobicContact CZ-CD2 3.55Å; F156-V224 HydrophobicContact CE1-CB 4.08Å; F156-V224 HydrophobicContact CE1-CG1 3.97Å; F156-V224 HydrophobicContact CZ-CB 4.07Å; F156-V224 HydrophobicContact CZ-CG1 3.72Å; F156-C225 WeakPolarHBondContact CD1-SG 2.9Å; F156-L716 HydrophobicContact CB-CD2 3.73Å; F156-M719 HydrophobicContact CD2-CB 4.01Å; F156-M719 HydrophobicContact CE2-CB 3.91Å; F156-M719 HydrophobicContact CG-CB 4.38Å; F156-M719 HydrophobicContact CZ-CB 4.17Å; F156-V720 HydrophobicContact CD2-CG2 3.9Å; F156-V720 HydrophobicContact CE2-CG2 4.02Å; F156-Y723 HydrophobicContact CZ-CD2 4.01Å; F156-Y723 HydrophobicContact CZ-CG 4.29Å
157E94Very high92.5Very high101 Ų10139.1 Ų39.147%0.47218%0.182SC..Hα-helixtrans-57.4-45.3175.8-75.6-176.1-174.700112.3R153 S154 L159 F160 M161 L716R153-E157 PolarHBondContact O-N 3.12Å; S154-E157 PolarHBondContact O-N 2.8Å; E157-L159 PolarHBondContact O-N 3.17Å; E157-F160 PolarHBondContact O-N 3.28Å; E157-M161 WeakPolarHBondContact O-CB 3.42Å; E157-M161 PolarHBondContact O-N 2.89Å; E157-L716 HydrophobicContact CG-CD1 3.38Å; E157-L716 HydrophobicContact CG-CD2 4.21Å; E157-L716 HydrophobicContact CG-CG 4.44Å; E157-L716 VanDerWaalsContact OE1-CD1 3.27Å; E157-L716 WeakPolarHBondContact OE1-CD1 3.42Å
158I93.6Very high92.5Very high8 Ų837.8 Ų37.84%0.04118%0.178CC..Hα-helixtrans-61.5-45.4177.3-66.7168000110.6S154 L155 F156 F160 M161 L162 F184 V187 I188 C191 L199S154-I158 VanDerWaalsContact O-CG1 3.29Å; S154-I158 WeakPolarHBondContact O-CG1 3.49Å; S154-I158 PolarHBondContact O-N 3.35Å; L155-I158 PolarHBondContact O-N 3.23Å; F156-I158 VanDerWaalsContact C-N 3.33Å; F156-I158 PolarHBondContact O-N 3.39Å; I158-F160 PolarHBondContact O-N 2.84Å; I158-M161 PolarHBondContact O-N 3.19Å; I158-L162 HydrophobicContact CG2-CD1 4.03Å; I158-L162 HydrophobicContact CG2-CG 4.44Å; I158-L162 WeakPolarHBondContact O-CG 3.46Å; I158-L162 PolarHBondContact O-N 3.21Å; I158-F184 HydrophobicContact CB-CE2 4.09Å; I158-F184 HydrophobicContact CG2-CD2 3.71Å; I158-F184 HydrophobicContact CG2-CE2 3.5Å; I158-V187 HydrophobicContact CB-CG1 4.46Å; I158-V187 HydrophobicContact CD1-CG1 4.42Å; I158-V187 HydrophobicContact CG1-CG1 4.12Å; I158-V187 HydrophobicContact CG2-CB 4.05Å; I158-V187 HydrophobicContact CG2-CG1 3.6Å; I158-I188 HydrophobicContact CD1-CG1 3.83Å; I158-C191 HydrophobicContact CD1-CB 4.35Å; I158-L199 HydrophobicContact CD1-CD1 4.05Å
159L93.1Very high92.4Very high0 Ų037.1 Ų37.10%018%0.176CC..Hα-helixtrans-61.2-44.9178.8-74.6174.8000112.4L155 F156 E157 M161 L162 A163 L169 F184 L218 L221 L222L155-L159 WeakPolarHBondContact O-CG 3.12Å; L155-L159 PolarHBondContact O-N 2.89Å; F156-L159 PolarHBondContact O-N 3.35Å; E157-L159 PolarHBondContact O-N 3.17Å; L159-M161 VanDerWaalsContact C-N 3.34Å; L159-L162 PolarHBondContact O-N 3.47Å; L159-A163 WeakPolarHBondContact O-CB 3.49Å; L159-A163 PolarHBondContact O-N 3.49Å; L159-L169 HydrophobicContact CD2-CD2 3.96Å; L159-F184 HydrophobicContact CD2-CD2 3.93Å; L159-F184 HydrophobicContact CD2-CE2 3.41Å; L159-F184 VanDerWaalsContact CD2-CE2 3.41Å; L159-F184 HydrophobicContact CD2-CZ 3.85Å; L159-F184 HydrophobicContact CG-CE2 3.65Å; L159-F184 HydrophobicContact CG-CZ 3.96Å; L159-L218 HydrophobicContact CD2-CD1 3.85Å; L159-L221 HydrophobicContact CD1-CB 3.58Å; L159-L221 HydrophobicContact CD1-CD1 4.35Å; L159-L222 HydrophobicContact CD1-CD2 4.43Å; L159-L222 HydrophobicContact CD2-CD2 4.09Å
160F92.8Very high91.6Very high22 Ų2237.9 Ų37.910%0.09619%0.188CC..Hα-helixtrans-64.4-39.8177-90.8-77.8000112.4F156 E157 I158 A163 K164 C225 V229 L706 H714 M719F156-F160 WeakPolarHBondContact O-CD2 3.34Å; F156-F160 PolarHBondContact O-N 3.1Å; E157-F160 PolarHBondContact O-N 3.28Å; I158-F160 PolarHBondContact O-N 2.84Å; F160-A163 PolarHBondContact O-N 3.41Å; F160-K164 WeakPolarHBondContact O-CB 3.2Å; F160-K164 PolarHBondContact O-N 3.34Å; F160-C225 HydrophobicContact CE2-CB 4.42Å; F160-V229 HydrophobicContact CE1-CG2 3.98Å; F160-V229 HydrophobicContact CZ-CG2 3.89Å; F160-L706 HydrophobicContact CE1-CD2 3.97Å; F160-L706 HydrophobicContact CZ-CD2 4.1Å; F160-H714 AromaticContact CD1-CE1 3.49Å; F160-H714 VanDerWaalsContact CD1-CE1 3.49Å; F160-H714 WeakPolarHBondContact CD1-CE1 3.45Å; F160-H714 AromaticContact CD1-ND1 3.94Å; F160-H714 AromaticContact CD1-NE2 3.58Å; F160-H714 AromaticContact CD2-CD2 3.83Å; F160-H714 AromaticContact CD2-NE2 3.77Å; F160-H714 HydrophobicContact CE1-CB 4.44Å; F160-H714 AromaticContact CE1-CD2 3.86Å; F160-H714 AromaticContact CE1-CE1 3.6Å; F160-H714 AromaticContact CE1-CG 3.71Å; F160-H714 AromaticContact CE1-ND1 3.55Å; F160-H714 AromaticContact CE1-NE2 3.81Å; F160-H714 AromaticContact CE2-CD2 3.62Å; F160-H714 AromaticContact CG-CE1 3.95Å; F160-H714 AromaticContact CG-NE2 3.55Å; F160-H714 HydrophobicContact CZ-CB 4Å; F160-H714 AromaticContact CZ-CD2 3.62Å; F160-H714 AromaticContact CZ-CG 3.58Å; F160-H714 AromaticContact CZ-ND1 3.93Å; F160-M719 HydrophobicContact CE2-CE 3.46Å; F160-M719 VanDerWaalsContact CE2-CE 3.46Å; F160-M719 HydrophobicContact CE2-SD 3.54Å; F160-M719 VanDerWaalsContact CE2-SD 3.54Å; F160-M719 HydrophobicContact CZ-CE 3.48Å; F160-M719 VanDerWaalsContact CZ-CE 3.48Å; F160-M719 HydrophobicContact CZ-SD 4.12Å
161M93.3Very high90.2Very high76 Ų7638.2 Ų38.237%0.37419%0.192SC..Hα-helixtrans-60.4-50.8175.9-177.8-77.6-68.100110.8E157 I158 L159 A163 K164 Q165 V187E157-M161 WeakPolarHBondContact O-CB 3.42Å; E157-M161 PolarHBondContact O-N 2.89Å; I158-M161 PolarHBondContact O-N 3.19Å; L159-M161 VanDerWaalsContact C-N 3.34Å; M161-A163 PolarHBondContact O-N 2.94Å; M161-K164 PolarHBondContact O-N 2.81Å; M161-Q165 WeakPolarHBondContact O-CG 3.3Å; M161-Q165 PolarHBondContact O-N 3.17Å; M161-Q165 HydrophobicContact SD-CG 4.26Å; M161-V187 HydrophobicContact CE-CG1 3.79Å; M161-V187 HydrophobicContact CE-CG2 4.17Å
162L93Very high88.2Confident1 Ų139.6 Ų39.61%0.00521%0.208CC..Hα-helixtrans-61-45.9179.2-70.4173.8000111.8I158 L159 Q165 A166 I167 L169 F184 V187I158-L162 HydrophobicContact CG2-CD1 4.03Å; I158-L162 HydrophobicContact CG2-CG 4.44Å; I158-L162 WeakPolarHBondContact O-CG 3.46Å; I158-L162 PolarHBondContact O-N 3.21Å; L159-L162 PolarHBondContact O-N 3.47Å; L162-Q165 CarbonylContact O-C 3.46Å; L162-Q165 PolarHBondContact O-N 2.94Å; L162-A166 PolarHBondContact O-N 2.94Å; L162-A166 VanDerWaalsContact O-N 3.08Å; L162-I167 HydrophobicContact CB-CB 4.49Å; L162-I167 HydrophobicContact CD2-CB 3.72Å; L162-I167 HydrophobicContact CD2-CD1 4.08Å; L162-I167 HydrophobicContact CD2-CG1 4.5Å; L162-I167 HydrophobicContact CD2-CG2 3.62Å; L162-I167 PolarHBondContact O-N 3.3Å; L162-L169 HydrophobicContact CD1-CD2 3.9Å; L162-F184 HydrophobicContact CD1-CB 4.33Å; L162-F184 HydrophobicContact CD1-CD2 3.6Å; L162-F184 HydrophobicContact CD1-CE2 4.45Å; L162-F184 HydrophobicContact CD1-CG 4.46Å; L162-V187 HydrophobicContact CD2-CG2 4.16Å
163A92Very high85.9Confident0 Ų050.4 Ų50.40%025%0.249CC..Hα-helixtrans-60.1-47.9176.500000111.9L159 F160 M161 Q165 A166 L703 L706 H707L159-A163 WeakPolarHBondContact O-CB 3.49Å; L159-A163 PolarHBondContact O-N 3.49Å; F160-A163 PolarHBondContact O-N 3.41Å; M161-A163 PolarHBondContact O-N 2.94Å; A163-Q165 PolarHBondContact O-N 3.29Å; A163-A166 PolarHBondContact O-N 3.38Å; A163-L703 HydrophobicContact CB-CD2 3.92Å; A163-L706 HydrophobicContact CB-CB 3.48Å; A163-L706 VanDerWaalsContact CB-CB 3.48Å; A163-L706 HydrophobicContact CB-CD1 3.98Å; A163-L706 HydrophobicContact CB-CG 4.39Å; A163-H707 WeakPolarHBondContact O-CB 3.35Å; A163-H707 PolarHBondContact O-ND1 3.28Å
164K91.4Very high83.1Confident126 Ų12652.1 Ų52.155%0.54827%0.267SS..Hα-helixtrans-60.1-34.7179.4-177172.5-177.9176.40112.5F160 M161 A166 H707 T710F160-K164 WeakPolarHBondContact O-CB 3.2Å; F160-K164 PolarHBondContact O-N 3.34Å; M161-K164 PolarHBondContact O-N 2.81Å; K164-A166 VanDerWaalsContact C-N 3.33Å; K164-H707 PolarHBondContact O-CE1 3Å; K164-H707 PolarHBondContact O-ND1 2.92Å; K164-T710 HydrophobicContact CB-CG2 3.94Å; K164-T710 HydrophobicContact CG-CG2 3.81Å
165Q91.8Very high80.4Confident120 Ų12055.3 Ų55.356%0.56129%0.289SS*.THydrogen-bonded Turntrans-88.83.5177.3-61.8-55.2-61.400113.7M161 L162 A163 I167M161-Q165 WeakPolarHBondContact O-CG 3.3Å; M161-Q165 PolarHBondContact O-N 3.17Å; M161-Q165 HydrophobicContact SD-CG 4.26Å; L162-Q165 CarbonylContact O-C 3.46Å; L162-Q165 PolarHBondContact O-N 2.94Å; A163-Q165 PolarHBondContact O-N 3.29Å; Q165-I167 HydrophobicContact CB-CD1 3.65Å; Q165-I167 HydrophobicContact CB-CG1 3.73Å; Q165-I167 HydrophobicContact CG-CD1 4.41Å; Q165-I167 PolarHBondContact O-N 3.01Å
166A91.4Very high77.6Confident14 Ų1463.9 Ų63.912%0.11633%0.329CS..THydrogen-bonded Turntrans53.432-174.200000113.3L162 A163 K164 P168 Y690 V694L162-A166 PolarHBondContact O-N 2.94Å; L162-A166 VanDerWaalsContact O-N 3.08Å; A163-A166 PolarHBondContact O-N 3.38Å; K164-A166 VanDerWaalsContact C-N 3.33Å; A166-P168 WeakPolarHBondContact O-CD 3.03Å; A166-Y690 HydrophobicContact CB-CD2 4.14Å; A166-Y690 HydrophobicContact CB-CE2 4.3Å; A166-V694 HydrophobicContact CB-CG2 3.88Å; A166-V694 WeakPolarHBondContact O-CG2 3.4Å
167I91.3Very high74.9Confident60 Ų6072.9 Ų72.931%0.30837%0.372SS..  trans-83.8120.4178.4-61.3170.1000108.1L162 Q165 N183 L703L162-I167 HydrophobicContact CB-CB 4.49Å; L162-I167 HydrophobicContact CD2-CB 3.72Å; L162-I167 HydrophobicContact CD2-CD1 4.08Å; L162-I167 HydrophobicContact CD2-CG1 4.5Å; L162-I167 HydrophobicContact CD2-CG2 3.62Å; L162-I167 PolarHBondContact O-N 3.3Å; Q165-I167 HydrophobicContact CB-CD1 3.65Å; Q165-I167 HydrophobicContact CB-CG1 3.73Å; Q165-I167 HydrophobicContact CG-CD1 4.41Å; Q165-I167 PolarHBondContact O-N 3.01Å; I167-N183 HydrophobicContact CG2-CB 4.25Å; I167-L703 WeakPolarHBondContact O-CD1 3.33Å
168P88.3Confident72.3Confident26 Ų2675 Ų7517%0.16938%0.381CS..  trans-60.3144.8176.5-23.534.5000111.6A166 N183 V694 H698A166-P168 WeakPolarHBondContact O-CD 3.03Å; P168-N183 WeakPolarHBondContact O-CB 3.32Å; P168-N183 PolarHBondContact O-ND2 3.41Å; P168-V694 HydrophobicContact CG-CG1 4.22Å; P168-H698 HydrophobicContact CB-CB 3.95Å; P168-H698 HydrophobicContact CG-CB 3.76Å
169L85.3Confident69.9Low12 Ų1282.7 Ų82.76%0.06342%0.422CS..SBendtrans-62.2-47.7176.3-59.6175.9000110.7L159 L162 N182 N183 F184 L218 L222 L703L159-L169 HydrophobicContact CD2-CD2 3.96Å; L162-L169 HydrophobicContact CD1-CD2 3.9Å; L169-N182 PolarHBondContact O-OD1 3.07Å; L169-N183 WeakPolarHBondContact O-CA 3.43Å; L169-N183 VanDerWaalsContact O-CB 3.28Å; L169-N183 WeakPolarHBondContact O-CB 3.44Å; L169-N183 PolarHBondContact O-N 3.49Å; L169-F184 HydrophobicContact CD2-CB 4.31Å; L169-F184 HydrophobicContact CD2-CD2 4.3Å; L169-F184 HydrophobicContact CD2-CG 4.48Å; L169-F184 PolarHBondContact O-N 3.32Å; L169-L218 HydrophobicContact CD1-CD1 4.31Å; L169-L218 HydrophobicContact CD1-CD2 3.95Å; L169-L218 HydrophobicContact CD1-CG 4.34Å; L169-L222 HydrophobicContact CD1-CD1 3.95Å; L169-L222 HydrophobicContact CD1-CD2 4.48Å; L169-L703 HydrophobicContact CD2-CD1 4.35Å; L169-L703 HydrophobicContact CD2-CD2 4.1Å; L169-L703 HydrophobicContact CG-CD1 3.95Å; L169-L703 HydrophobicContact CG-CD2 4.28Å; L169-L703 HydrophobicContact CG-CG 4.31Å
170T76.1Confident67.8Low85 Ų8592.2 Ų92.252%0.52146%0.463SS..BIsolated β-bridgetrans-104.9140.8-176.357.90000112.5
171T62.6Low65.9Low61 Ų6194.2 Ų94.237%0.37448%0.48SS..  trans-82.8147.5166.673.90000110.6S181 N183T171-S181 WeakPolarHBondContact CB-O 3.42Å; T171-S181 WeakPolarHBondContact CG2-O 3.43Å; T171-S181 PolarHBondContact N-O 3.37Å; T171-S181 PolarHBondContact OG1-O 2.55Å; T171-N183 WeakPolarHBondContact CG2-OD1 3.4Å
172G51Low65.1Low35 Ų3592.8 Ų92.836%0.36147%0.474SS..  trans-73.6145.1175.900000111.7V174 H698G172-V174 PolarHBondContact O-N 2.98Å; G172-H698 PolarHBondContact N-CE1 3.21Å
173R43.7Very low64.8Low226 Ų22694.8 Ų94.885%0.85349%0.485SS*.  trans-45.7122.4-177.5-68.1-173.4-177.7-158.90.2113.2E176R173-E176 IonicContact NH1-OE1 2.74Å
174V37.3Very low64.5Low108 Ų10894.9 Ų94.966%0.65549%0.485SS*.  trans-104.8131.7146.6-174.50000105G172G172-V174 PolarHBondContact O-N 2.98Å
175S37.1Very low64.2Low80 Ų8091 Ų9156%0.55947%0.469SS*.  trans7136.9178.547.20000120.1E177 E178S175-E177 PolarHBondContact O-N 2.94Å; S175-E178 PolarHBondContact O-N 3.44Å
176E36.5Very low64Low180 Ų18087.5 Ų87.584%0.84146%0.46SS*.THydrogen-bonded Turntrans-54.27.2-177.3-71.3-177.6158.900117.8R173R173-E176 IonicContact NH1-OE1 2.74Å
177E37.8Very low63.9Low190 Ų19088.3 Ų88.389%0.88846%0.464SS*.THydrogen-bonded Turntrans-118.1-4.1-178.5-67.4178.7165.100114.1S175S175-E177 PolarHBondContact O-N 2.94Å
178E39Very low63.8Low145 Ų14585.4 Ų85.468%0.67845%0.449SS*.SBendtrans-117.3126.9173.1-70.7-178.3167.900110.3S175S175-E178 PolarHBondContact O-N 3.44Å
179L43.1Very low63.8Low169 Ų16987.1 Ų87.189%0.88546%0.457SS*.  trans-19.4129.9178.7-11272.8000115.1S181L179-S181 PolarHBondContact O-N 2.66Å
180K48.3Very low64Low200 Ų20094.5 Ų94.587%0.8749%0.485SS*.  trans-53.383.3164.4-68.8176.8179.8175.30110.4N182K180-N182 PolarHBondContact O-N 3.41Å
181S54.3Low64.6Low65 Ų6592 Ų9246%0.45547%0.47SS..  trans-72.8101.7178.3-177.10000108.9T171 L179T171-S181 WeakPolarHBondContact CB-O 3.42Å; T171-S181 WeakPolarHBondContact CG2-O 3.43Å; T171-S181 PolarHBondContact N-O 3.37Å; T171-S181 PolarHBondContact OG1-O 2.55Å; L179-S181 PolarHBondContact O-N 2.66Å
182N76.6Confident65.9Low45 Ų4589.9 Ų89.924%0.24146%0.457CS..BIsolated β-bridgetrans-91.6121.8171.4177.43.3000106.9L169 K180 F184 Q185 A186L169-N182 PolarHBondContact O-OD1 3.07Å; K180-N182 PolarHBondContact O-N 3.41Å; N182-F184 PolarHBondContact O-N 2.69Å; N182-F184 WeakPolarHBondContact OD1-CB 3.46Å; N182-F184 PolarHBondContact OD1-N 2.96Å; N182-F184 VanDerWaalsContact OD1-N 3.14Å; N182-Q185 HydrophobicContact CB-CB 3.86Å; N182-Q185 PolarHBondContact O-N 2.8Å; N182-Q185 VanDerWaalsContact O-N 3.08Å; N182-A186 PolarHBondContact O-N 2.72Å
183N85.6Confident67.7Low44 Ų4494.8 Ų94.824%0.23547%0.474CS..Hα-helixtrans-58.3-35.7179.3-71.1-33.9000110.4I167 P168 L169 T171 A186 V187I167-N183 HydrophobicContact CG2-CB 4.25Å; P168-N183 WeakPolarHBondContact O-CB 3.32Å; P168-N183 PolarHBondContact O-ND2 3.41Å; L169-N183 WeakPolarHBondContact O-CA 3.43Å; L169-N183 VanDerWaalsContact O-CB 3.28Å; L169-N183 WeakPolarHBondContact O-CB 3.44Å; L169-N183 PolarHBondContact O-N 3.49Å; T171-N183 WeakPolarHBondContact CG2-OD1 3.4Å; N183-A186 PolarHBondContact O-N 2.79Å; N183-V187 WeakPolarHBondContact O-CG2 3.38Å; N183-V187 PolarHBondContact O-N 3.25Å
184F86.4Confident69.9Low1 Ų187.4 Ų87.40%0.00446%0.462CS..Hα-helixtrans-61.2-48.7175.8-170.6-120.9000111.6L155 I158 L159 L162 L169 N182 A186 V187 I188 L213 L218L155-F184 HydrophobicContact CD2-CZ 4.12Å; I158-F184 HydrophobicContact CB-CE2 4.09Å; I158-F184 HydrophobicContact CG2-CD2 3.71Å; I158-F184 HydrophobicContact CG2-CE2 3.5Å; L159-F184 HydrophobicContact CD2-CD2 3.93Å; L159-F184 HydrophobicContact CD2-CE2 3.41Å; L159-F184 VanDerWaalsContact CD2-CE2 3.41Å; L159-F184 HydrophobicContact CD2-CZ 3.85Å; L159-F184 HydrophobicContact CG-CE2 3.65Å; L159-F184 HydrophobicContact CG-CZ 3.96Å; L162-F184 HydrophobicContact CD1-CB 4.33Å; L162-F184 HydrophobicContact CD1-CD2 3.6Å; L162-F184 HydrophobicContact CD1-CE2 4.45Å; L162-F184 HydrophobicContact CD1-CG 4.46Å; L169-F184 HydrophobicContact CD2-CB 4.31Å; L169-F184 HydrophobicContact CD2-CD2 4.3Å; L169-F184 HydrophobicContact CD2-CG 4.48Å; L169-F184 PolarHBondContact O-N 3.32Å; N182-F184 PolarHBondContact O-N 2.69Å; N182-F184 WeakPolarHBondContact OD1-CB 3.46Å; N182-F184 PolarHBondContact OD1-N 2.96Å; N182-F184 VanDerWaalsContact OD1-N 3.14Å; F184-A186 PolarHBondContact O-N 3.41Å; F184-V187 PolarHBondContact O-N 2.69Å; F184-I188 HydrophobicContact CD1-CD1 3.77Å; F184-I188 HydrophobicContact CE1-CD1 3.56Å; F184-I188 HydrophobicContact CG-CD1 4.35Å; F184-I188 HydrophobicContact CZ-CD1 3.96Å; F184-I188 WeakPolarHBondContact O-CG1 3.49Å; F184-I188 PolarHBondContact O-N 3.21Å; F184-L213 HydrophobicContact CD1-CD2 4.24Å; F184-L213 HydrophobicContact CE1-CD1 3.98Å; F184-L213 HydrophobicContact CE1-CD2 3.74Å; F184-L213 HydrophobicContact CE1-CG 4.42Å; F184-L218 HydrophobicContact CD1-CD1 4.01Å; F184-L218 HydrophobicContact CE1-CD1 3.75Å; F184-L218 HydrophobicContact CZ-CD1 4.14Å
185Q85.3Confident72.3Confident44 Ų4484.2 Ų84.221%0.20645%0.451CS..Hα-helixtrans-62.8-42.3177.2-171.862.351.100111.7N182 V187 I188 D189N182-Q185 HydrophobicContact CB-CB 3.86Å; N182-Q185 PolarHBondContact O-N 2.8Å; N182-Q185 VanDerWaalsContact O-N 3.08Å; Q185-V187 VanDerWaalsContact C-N 3.27Å; Q185-V187 PolarHBondContact O-N 3.02Å; Q185-I188 WeakPolarHBondContact O-CB 3.37Å; Q185-I188 PolarHBondContact O-N 2.89Å; Q185-D189 PolarHBondContact NE2-OD1 2.99Å; Q185-D189 PolarHBondContact O-N 3.22Å
186A86.8Confident74.8Confident47 Ų4782.2 Ų82.239%0.38843%0.434SS..Hα-helixtrans-60.9-36.4178.500000112.4N182 N183 F184 Y190N182-A186 PolarHBondContact O-N 2.72Å; N183-A186 PolarHBondContact O-N 2.79Å; F184-A186 PolarHBondContact O-N 3.41Å; A186-Y190 WeakPolarHBondContact O-CB 3.41Å; A186-Y190 PolarHBondContact O-N 3.31Å
187V89.9Confident77.3Confident31 Ų3178.2 Ų78.219%0.18842%0.415CS..Hα-helixtrans-73.3-39.5175.4177.30000111.6I158 M161 L162 N183 F184 Q185 D189 Y190 C191I158-V187 HydrophobicContact CB-CG1 4.46Å; I158-V187 HydrophobicContact CD1-CG1 4.42Å; I158-V187 HydrophobicContact CG1-CG1 4.12Å; I158-V187 HydrophobicContact CG2-CB 4.05Å; I158-V187 HydrophobicContact CG2-CG1 3.6Å; M161-V187 HydrophobicContact CE-CG1 3.79Å; M161-V187 HydrophobicContact CE-CG2 4.17Å; L162-V187 HydrophobicContact CD2-CG2 4.16Å; N183-V187 WeakPolarHBondContact O-CG2 3.38Å; N183-V187 PolarHBondContact O-N 3.25Å; F184-V187 PolarHBondContact O-N 2.69Å; Q185-V187 VanDerWaalsContact C-N 3.27Å; Q185-V187 PolarHBondContact O-N 3.02Å; V187-D189 VanDerWaalsContact C-N 3.33Å; V187-D189 PolarHBondContact O-N 3.47Å; V187-Y190 WeakPolarHBondContact O-CB 3.34Å; V187-Y190 PolarHBondContact O-N 2.83Å; V187-C191 PolarHBondContact O-N 3.5Å; V187-C191 PolarHBondContact O-SG 3.48Å; V187-C191 VanDerWaalsContact O-SG 3.34Å
188I88.6Confident79.7Confident0 Ų069.9 Ų69.90%038%0.379CS..Hα-helixtrans-56.5-49.7171.9-70.9170.9000110.2L155 I158 F184 Q185 Y190 C191 M192 Y212L155-I188 HydrophobicContact CD2-CD1 3.84Å; L155-I188 HydrophobicContact CD2-CG1 4.19Å; I158-I188 HydrophobicContact CD1-CG1 3.83Å; F184-I188 HydrophobicContact CD1-CD1 3.77Å; F184-I188 HydrophobicContact CE1-CD1 3.56Å; F184-I188 HydrophobicContact CG-CD1 4.35Å; F184-I188 HydrophobicContact CZ-CD1 3.96Å; F184-I188 WeakPolarHBondContact O-CG1 3.49Å; F184-I188 PolarHBondContact O-N 3.21Å; Q185-I188 WeakPolarHBondContact O-CB 3.37Å; Q185-I188 PolarHBondContact O-N 2.89Å; I188-Y190 VanDerWaalsContact C-N 3.28Å; I188-Y190 PolarHBondContact O-N 2.84Å; I188-C191 PolarHBondContact O-N 3.09Å; I188-C191 VanDerWaalsContact O-N 3.17Å; I188-M192 HydrophobicContact CG2-CE 4.07Å; I188-M192 HydrophobicContact CG2-SD 4.49Å; I188-M192 WeakPolarHBondContact O-CG 3.38Å; I188-M192 PolarHBondContact O-N 3.43Å; I188-Y212 HydrophobicContact CD1-CE1 4.38Å; I188-Y212 HydrophobicContact CG2-CD1 4.01Å; I188-Y212 HydrophobicContact CG2-CE1 3.43Å; I188-Y212 VanDerWaalsContact CG2-CE1 3.43Å
189D87.6Confident82Confident61 Ų6163 Ų6333%0.32635%0.347SS..Hα-helixtrans-59.8-40.4178.3-62.7-17.4000111.4Q185 V187 M192 N193Q185-D189 PolarHBondContact NE2-OD1 2.99Å; Q185-D189 PolarHBondContact O-N 3.22Å; V187-D189 VanDerWaalsContact C-N 3.33Å; V187-D189 PolarHBondContact O-N 3.47Å; D189-M192 HydrophobicContact CB-CE 4.43Å; D189-M192 WeakPolarHBondContact OD1-CE 3.13Å; D189-N193 WeakPolarHBondContact O-CB 3.2Å; D189-N193 VanDerWaalsContact O-CG 3.31Å; D189-N193 PolarHBondContact O-N 2.72Å; D189-N193 VanDerWaalsContact O-N 3.1Å; D189-N193 PolarHBondContact O-ND2 3.42Å
190Y89.8Confident84Confident167 Ų16758.5 Ų58.566%0.65532%0.318SS*.Hα-helixtrans-62.9-47.1174.4177.9-95.4000112.2A186 V187 I188 M192 N193 A194A186-Y190 WeakPolarHBondContact O-CB 3.41Å; A186-Y190 PolarHBondContact O-N 3.31Å; V187-Y190 WeakPolarHBondContact O-CB 3.34Å; V187-Y190 PolarHBondContact O-N 2.83Å; I188-Y190 VanDerWaalsContact C-N 3.28Å; I188-Y190 PolarHBondContact O-N 2.84Å; Y190-M192 PolarHBondContact O-N 3.11Å; Y190-N193 CarbonylContact O-C 3.52Å; Y190-N193 PolarHBondContact O-N 3Å; Y190-N193 VanDerWaalsContact O-N 3.17Å; Y190-A194 HydrophobicContact CE1-CB 4.43Å; Y190-A194 WeakPolarHBondContact O-CB 3.24Å; Y190-A194 PolarHBondContact O-N 2.98Å
191C90Very high85.8Confident32 Ų3253.3 Ų53.322%0.21630%0.295CS..Hα-helixtrans-61.6-42.7178.6-71.90000112I158 V187 I188 N193 A194 G195 D196 L199I158-C191 HydrophobicContact CD1-CB 4.35Å; V187-C191 PolarHBondContact O-N 3.5Å; V187-C191 PolarHBondContact O-SG 3.48Å; V187-C191 VanDerWaalsContact O-SG 3.34Å; I188-C191 PolarHBondContact O-N 3.09Å; I188-C191 VanDerWaalsContact O-N 3.17Å; C191-N193 VanDerWaalsContact C-N 3.3Å; C191-N193 PolarHBondContact O-N 3.32Å; C191-A194 PolarHBondContact O-N 3.43Å; C191-A194 VanDerWaalsContact O-N 3.14Å; C191-G195 PolarHBondContact O-N 3.1Å; C191-D196 HydrophobicContact CB-CB 4.33Å; C191-D196 WeakPolarHBondContact O-CB 3.18Å; C191-D196 PolarHBondContact O-N 3.33Å; C191-L199 HydrophobicContact CB-CD1 3.77Å
192M89.1Confident87.2Confident18 Ų1853.6 Ų53.69%0.08929%0.286CS..Hα-helixtrans-58.8-41.7173.7-71-169.6-63.800111.9I188 D189 Y190 G195 L199 R200 F203I188-M192 HydrophobicContact CG2-CE 4.07Å; I188-M192 HydrophobicContact CG2-SD 4.49Å; I188-M192 WeakPolarHBondContact O-CG 3.38Å; I188-M192 PolarHBondContact O-N 3.43Å; D189-M192 HydrophobicContact CB-CE 4.43Å; D189-M192 WeakPolarHBondContact OD1-CE 3.13Å; Y190-M192 PolarHBondContact O-N 3.11Å; M192-G195 PolarHBondContact O-N 2.98Å; M192-L199 HydrophobicContact CG-CB 3.56Å; M192-L199 HydrophobicContact CG-CD1 4.42Å; M192-L199 HydrophobicContact SD-CB 4.3Å; M192-R200 PolarHBondContact O-NH2 3.37Å; M192-F203 HydrophobicContact CE-CD2 4.09Å; M192-F203 HydrophobicContact CE-CG 4.42Å; M192-F203 HydrophobicContact SD-CB 3.79Å; M192-F203 HydrophobicContact SD-CD2 4.2Å; M192-F203 HydrophobicContact SD-CG 4.05Å
193N88.1Confident87.3Confident137 Ų13756.3 Ų56.373%0.73330%0.297SS*.Hα-helixtrans-72.5-28.2177.1-72.3-46.7000113.1D189 Y190 C191 G195D189-N193 WeakPolarHBondContact O-CB 3.2Å; D189-N193 VanDerWaalsContact O-CG 3.31Å; D189-N193 PolarHBondContact O-N 2.72Å; D189-N193 VanDerWaalsContact O-N 3.1Å; D189-N193 PolarHBondContact O-ND2 3.42Å; Y190-N193 CarbonylContact O-C 3.52Å; Y190-N193 PolarHBondContact O-N 3Å; Y190-N193 VanDerWaalsContact O-N 3.17Å; C191-N193 VanDerWaalsContact C-N 3.3Å; C191-N193 PolarHBondContact O-N 3.32Å; N193-G195 VanDerWaalsContact C-N 3.28Å; N193-G195 PolarHBondContact O-N 3.09Å
194A90.5Very high87.2Confident72 Ų7260.8 Ų60.860%0.59532%0.316SS*.Hα-helixtrans-78.7-8.6177.800000113.7Y190 C191Y190-A194 HydrophobicContact CE1-CB 4.43Å; Y190-A194 WeakPolarHBondContact O-CB 3.24Å; Y190-A194 PolarHBondContact O-N 2.98Å; C191-A194 PolarHBondContact O-N 3.43Å; C191-A194 VanDerWaalsContact O-N 3.14Å
195G88.6Confident86.7Confident41 Ų4166.3 Ų66.342%0.42335%0.35SS..THydrogen-bonded Turntrans114.217.217400000115.6C191 M192 N193 E197C191-G195 PolarHBondContact O-N 3.1Å; M192-G195 PolarHBondContact O-N 2.98Å; N193-G195 VanDerWaalsContact C-N 3.28Å; N193-G195 PolarHBondContact O-N 3.09Å; G195-E197 PolarHBondContact O-N 3.41Å; G195-E197 VanDerWaalsContact O-N 3.11Å
196D89.2Confident86.1Confident37 Ų3766.5 Ų66.520%0.19835%0.354CS..  trans-72.997.8169.8-168.1-38.6000110.6S154 C191 A198 L199 R200S154-D196 WeakPolarHBondContact CB-OD2 3.31Å; S154-D196 PolarHBondContact OG-OD2 3.19Å; C191-D196 HydrophobicContact CB-CB 4.33Å; C191-D196 WeakPolarHBondContact O-CB 3.18Å; C191-D196 PolarHBondContact O-N 3.33Å; D196-A198 PolarHBondContact OD1-N 2.68Å; D196-A198 VanDerWaalsContact OD1-N 3.08Å; D196-L199 HydrophobicContact CB-CB 4.33Å; D196-L199 HydrophobicContact CB-CD1 4.05Å; D196-L199 HydrophobicContact CB-CG 4.34Å; D196-L199 PolarHBondContact OD1-N 3.47Å; D196-L199 WeakPolarHBondContact OD2-CD1 3.42Å; D196-R200 WeakPolarHBondContact O-CB 3.23Å; D196-R200 PolarHBondContact O-N 2.86Å
197E88.8Confident85.2Confident97 Ų9767.6 Ų67.645%0.45336%0.363SS..Hα-helixtrans-71.6-26.9-178.5-62.2-57.6152.200113G195 R200 K201G195-E197 PolarHBondContact O-N 3.41Å; G195-E197 VanDerWaalsContact O-N 3.11Å; E197-R200 PolarHBondContact O-N 3.43Å; E197-R200 IonicContact OE1-CZ 3.11Å; E197-R200 IonicContact OE1-NH1 3.51Å; E197-R200 PolarHBondContact OE1-NH1 3.33Å; E197-R200 IonicContact OE1-NH2 2.7Å; E197-R200 IonicContact OE2-CZ 3.79Å; E197-R200 IonicContact OE2-NH1 2.66Å; E197-R200 PolarHBondContact OE2-NH1 3.17Å; E197-K201 WeakPolarHBondContact O-CB 3.29Å; E197-K201 VanDerWaalsContact O-CG 3.25Å; E197-K201 WeakPolarHBondContact O-CG 3.47Å; E197-K201 PolarHBondContact O-N 3.38Å
198A87.3Confident83.4Confident15 Ų1572.4 Ų72.412%0.12439%0.392CS..Hα-helixtrans-70.2-45.3-179.700000110.8D150 D196 R202D150-A198 HydrophobicContact CB-CB 3.89Å; D196-A198 PolarHBondContact OD1-N 2.68Å; D196-A198 VanDerWaalsContact OD1-N 3.08Å; A198-R202 PolarHBondContact O-N 2.75Å
199L87.6Confident81.8Confident0 Ų080.3 Ų80.30%043%0.434CS..Hα-helixtrans-61.5-45.6172.1-68.2177.1000111.6Y151 L155 I158 C191 M192 D196 R202 F203 Y212Y151-L199 HydrophobicContact CD2-CD2 3.67Å; Y151-L199 HydrophobicContact CE2-CD2 3.84Å; L155-L199 HydrophobicContact CD2-CD2 3.89Å; L155-L199 HydrophobicContact CG-CD2 4.24Å; I158-L199 HydrophobicContact CD1-CD1 4.05Å; C191-L199 HydrophobicContact CB-CD1 3.77Å; M192-L199 HydrophobicContact CG-CB 3.56Å; M192-L199 HydrophobicContact CG-CD1 4.42Å; M192-L199 HydrophobicContact SD-CB 4.3Å; D196-L199 HydrophobicContact CB-CB 4.33Å; D196-L199 HydrophobicContact CB-CD1 4.05Å; D196-L199 HydrophobicContact CB-CG 4.34Å; D196-L199 PolarHBondContact OD1-N 3.47Å; D196-L199 WeakPolarHBondContact OD2-CD1 3.42Å; L199-R202 PolarHBondContact O-N 3.09Å; L199-F203 WeakPolarHBondContact O-CB 3.24Å; L199-F203 PolarHBondContact O-N 3.36Å; L199-Y212 PolarHBondContact O-OH 3.36Å
200R86.1Confident80.5Confident75 Ų7580.3 Ų80.328%0.28344%0.439SS..Hα-helixtrans-62.1-48.1-177.4-173-174.9-64.6149.42.4112.3M192 D196 E197 R202 F203 E204M192-R200 PolarHBondContact O-NH2 3.37Å; D196-R200 WeakPolarHBondContact O-CB 3.23Å; D196-R200 PolarHBondContact O-N 2.86Å; E197-R200 PolarHBondContact O-N 3.43Å; E197-R200 IonicContact OE1-CZ 3.11Å; E197-R200 IonicContact OE1-NH1 3.51Å; E197-R200 PolarHBondContact OE1-NH1 3.33Å; E197-R200 IonicContact OE1-NH2 2.7Å; E197-R200 IonicContact OE2-CZ 3.79Å; E197-R200 IonicContact OE2-NH1 2.66Å; E197-R200 PolarHBondContact OE2-NH1 3.17Å; R200-R202 PolarHBondContact O-N 3.39Å; R200-F203 WeakPolarHBondContact O-CA 3.46Å; R200-F203 VanDerWaalsContact O-CB 3.31Å; R200-F203 WeakPolarHBondContact O-CB 3.27Å; R200-F203 PolarHBondContact O-N 2.59Å; R200-F203 VanDerWaalsContact O-N 3.11Å; R200-E204 WeakPolarHBondContact O-CG 3.32Å; R200-E204 PolarHBondContact O-N 3.36Å
201K85.6Confident79.2Confident90 Ų9079 Ų7939%0.39144%0.439SS..Hα-helixtrans-63.3-41.6180-71.2177.1178.7-178.50112.3E147 E197 F203 E204 V205E147-K201 HydrophobicContact CG-CD 4.36Å; E147-K201 WeakPolarHBondContact OE1-CB 3.4Å; E147-K201 WeakPolarHBondContact OE1-CD 3.38Å; E147-K201 WeakPolarHBondContact OE2-CD 3.39Å; E147-K201 IonicContact OE2-NZ 3.49Å; E147-K201 PolarHBondContact OE2-NZ 3.39Å; E197-K201 WeakPolarHBondContact O-CB 3.29Å; E197-K201 VanDerWaalsContact O-CG 3.25Å; E197-K201 WeakPolarHBondContact O-CG 3.47Å; E197-K201 PolarHBondContact O-N 3.38Å; K201-F203 PolarHBondContact O-N 3Å; K201-E204 PolarHBondContact O-N 3.18Å; K201-V205 WeakPolarHBondContact O-CG2 3.32Å; K201-V205 PolarHBondContact O-N 3.38Å; K201-V205 VanDerWaalsContact O-N 3.12Å
202R83.1Confident78Confident71 Ų7178.6 Ų78.627%0.26843%0.433SS..Hα-helixtrans-61.6-35174.8-160.969.3172.7-177.50.5111.3Y151 A198 L199 R200 T206 E729Y151-R202 HydrophobicContact CD1-CG 4.39Å; Y151-R202 HydrophobicContact CD2-CB 3.74Å; Y151-R202 HydrophobicContact CD2-CG 3.85Å; Y151-R202 HydrophobicContact CE1-CG 4.35Å; Y151-R202 HydrophobicContact CE2-CB 4.01Å; Y151-R202 HydrophobicContact CE2-CG 3.83Å; Y151-R202 HydrophobicContact CG-CB 4.28Å; Y151-R202 HydrophobicContact CG-CG 4.14Å; A198-R202 PolarHBondContact O-N 2.75Å; L199-R202 PolarHBondContact O-N 3.09Å; R200-R202 PolarHBondContact O-N 3.39Å; R202-T206 PolarHBondContact O-N 3.12Å; R202-T206 PolarHBondContact O-OG1 3.2Å; R202-E729 IonicContact CZ-OE1 3.13Å; R202-E729 VanDerWaalsContact NH2-CD 3.31Å; R202-E729 IonicContact NH2-OE1 2.72Å; R202-E729 PolarHBondContact NH2-OE1 3.14Å; R202-E729 IonicContact NH2-OE2 3.82Å; R202-E729 PolarHBondContact NH2-OE2 2.77Å; R202-E729 VanDerWaalsContact NH2-OE2 3.1Å
203F80.1Confident77.4Confident103 Ų10378.7 Ų78.745%0.45243%0.434SS..Hα-helixtrans-66-45.9174.4-176-87.8000112.4M192 L199 R200 K201 V205 T206 Y212M192-F203 HydrophobicContact CE-CD2 4.09Å; M192-F203 HydrophobicContact CE-CG 4.42Å; M192-F203 HydrophobicContact SD-CB 3.79Å; M192-F203 HydrophobicContact SD-CD2 4.2Å; M192-F203 HydrophobicContact SD-CG 4.05Å; L199-F203 WeakPolarHBondContact O-CB 3.24Å; L199-F203 PolarHBondContact O-N 3.36Å; R200-F203 WeakPolarHBondContact O-CA 3.46Å; R200-F203 VanDerWaalsContact O-CB 3.31Å; R200-F203 WeakPolarHBondContact O-CB 3.27Å; R200-F203 PolarHBondContact O-N 2.59Å; R200-F203 VanDerWaalsContact O-N 3.11Å; K201-F203 PolarHBondContact O-N 3Å; F203-V205 VanDerWaalsContact C-N 3.27Å; F203-V205 PolarHBondContact O-N 3.02Å; F203-T206 WeakPolarHBondContact O-CB 3.44Å; F203-T206 PolarHBondContact O-N 3.02Å; F203-T206 VanDerWaalsContact O-N 3.13Å; F203-Y212 HydrophobicContact CB-CD2 4.09Å; F203-Y212 HydrophobicContact CB-CE2 3.44Å; F203-Y212 VanDerWaalsContact CB-CE2 3.44Å; F203-Y212 AromaticContact CD2-CD2 3.41Å; F203-Y212 HydrophobicContact CD2-CD2 3.41Å; F203-Y212 VanDerWaalsContact CD2-CD2 3.41Å; F203-Y212 AromaticContact CD2-CE2 3.61Å; F203-Y212 HydrophobicContact CD2-CE2 3.61Å; F203-Y212 HydrophobicContact CD2-CG 4.02Å; F203-Y212 HydrophobicContact CE2-CD2 4.26Å; F203-Y212 HydrophobicContact CG-CD2 4.18Å; F203-Y212 AromaticContact CG-CE2 4Å; F203-Y212 HydrophobicContact CG-CE2 4Å
204E82.3Confident77Confident138 Ų13874.5 Ų74.565%0.64542%0.415SS*.Hα-helixtrans-64-30.2179.7-70.5173.8-18000113.3R200 K201R200-E204 WeakPolarHBondContact O-CG 3.32Å; R200-E204 PolarHBondContact O-N 3.36Å; K201-E204 PolarHBondContact O-N 3.18Å
205V76.8Confident76.5Confident117 Ų11774.2 Ų74.271%0.70941%0.413SS*.Hα-helixtrans-79.4-20.6176.7176.30000112.3K201 F203K201-V205 WeakPolarHBondContact O-CG2 3.32Å; K201-V205 PolarHBondContact O-N 3.38Å; K201-V205 VanDerWaalsContact O-N 3.12Å; F203-V205 VanDerWaalsContact C-N 3.27Å; F203-V205 PolarHBondContact O-N 3.02Å
206T72.2Confident76.4Confident47 Ų4775 Ų7529%0.28842%0.416SS..SBendtrans-74.5137.1-176.8-62.50000111.2R202 F203 S210R202-T206 PolarHBondContact O-N 3.12Å; R202-T206 PolarHBondContact O-OG1 3.2Å; F203-T206 WeakPolarHBondContact O-CB 3.44Å; F203-T206 PolarHBondContact O-N 3.02Å; F203-T206 VanDerWaalsContact O-N 3.13Å; T206-S210 WeakPolarHBondContact CG2-OG 3.34Å
207A68.1Low76.2Confident71 Ų7174.6 Ų74.659%0.58741%0.413SS*.PPolyproline II helixtrans-60.8143.5-176.300000112.7N209 S210A207-N209 PolarHBondContact O-N 3.35Å; A207-N209 VanDerWaalsContact O-N 3.14Å; A207-S210 PolarHBondContact O-N 2.86Å; A207-S210 VanDerWaalsContact O-N 3.15Å; A207-S210 PolarHBondContact O-OG 3.09Å
208V52.5Low76.2Confident132 Ų13271 Ų7180%0.840%0.396SS*.THydrogen-bonded Turntrans-62.3120.9176.4-172.70000108.8
209N55.4Low76.3Confident165 Ų16575.2 Ų75.288%0.88242%0.417SS*.THydrogen-bonded Turntrans85.98.1-176.8-44.3-63.3000117.7A207A207-N209 PolarHBondContact O-N 3.35Å; A207-N209 VanDerWaalsContact O-N 3.14Å
210S59Low76.6Confident62 Ų6278 Ų7843%0.43443%0.43SS..SBendtrans-84.1147.6165.153.60000111.6T206 A207 Y212T206-S210 WeakPolarHBondContact CG2-OG 3.34Å; A207-S210 PolarHBondContact O-N 2.86Å; A207-S210 VanDerWaalsContact O-N 3.15Å; A207-S210 PolarHBondContact O-OG 3.09Å; S210-Y212 PolarHBondContact O-N 2.89Å
211E62.2Low77Confident140 Ų14074.4 Ų74.465%0.65442%0.416SS*.  trans-60.8125.4169.5-72.2-173165.800109L213E211-L213 VanDerWaalsContact C-N 3.26Å; E211-L213 PolarHBondContact O-N 3.15Å
212Y65.8Low77.4Confident23 Ų2370.2 Ų70.29%0.0940%0.398CS..SBendtrans-61-36-176.9178.5-109.2000112.6Y151 I188 L199 F203 S210Y151-Y212 HydrophobicContact CE2-CE1 4.42Å; I188-Y212 HydrophobicContact CD1-CE1 4.38Å; I188-Y212 HydrophobicContact CG2-CD1 4.01Å; I188-Y212 HydrophobicContact CG2-CE1 3.43Å; I188-Y212 VanDerWaalsContact CG2-CE1 3.43Å; L199-Y212 PolarHBondContact O-OH 3.36Å; F203-Y212 HydrophobicContact CB-CD2 4.09Å; F203-Y212 HydrophobicContact CB-CE2 3.44Å; F203-Y212 VanDerWaalsContact CB-CE2 3.44Å; F203-Y212 AromaticContact CD2-CD2 3.41Å; F203-Y212 HydrophobicContact CD2-CD2 3.41Å; F203-Y212 VanDerWaalsContact CD2-CD2 3.41Å; F203-Y212 AromaticContact CD2-CE2 3.61Å; F203-Y212 HydrophobicContact CD2-CE2 3.61Å; F203-Y212 HydrophobicContact CD2-CG 4.02Å; F203-Y212 HydrophobicContact CE2-CD2 4.26Å; F203-Y212 HydrophobicContact CG-CD2 4.18Å; F203-Y212 AromaticContact CG-CE2 4Å; F203-Y212 HydrophobicContact CG-CE2 4Å; S210-Y212 PolarHBondContact O-N 2.89Å
213L75.4Confident77.9Confident20 Ų2069.1 Ų69.111%0.10540%0.398CS..SBendtrans-140118.1174.8-172.7133.7000109L155 F184 E211 Q217 L218 L221L155-L213 HydrophobicContact CD1-CD1 3.56Å; L155-L213 HydrophobicContact CD2-CD1 3.98Å; L155-L213 HydrophobicContact CG-CD1 4.42Å; F184-L213 HydrophobicContact CD1-CD2 4.24Å; F184-L213 HydrophobicContact CE1-CD1 3.98Å; F184-L213 HydrophobicContact CE1-CD2 3.74Å; F184-L213 HydrophobicContact CE1-CG 4.42Å; E211-L213 VanDerWaalsContact C-N 3.26Å; E211-L213 PolarHBondContact O-N 3.15Å; L213-Q217 HydrophobicContact CG-CB 4.3Å; L213-Q217 HydrophobicContact CG-CG 4.42Å; L213-L218 HydrophobicContact CD2-CB 3.64Å; L213-L218 HydrophobicContact CD2-CD1 4.22Å; L213-L218 HydrophobicContact CD2-CG 4.4Å; L213-L221 HydrophobicContact CD1-CD1 4.04Å
214S80.5Confident78.6Confident49 Ų4964.3 Ų64.334%0.34338%0.376SS..  trans-73.4154.6-177.674.20000111.5A216 Q217 L218S214-A216 PolarHBondContact O-N 3.43Å; S214-Q217 PolarHBondContact O-N 3.43Å; S214-Q217 VanDerWaalsContact O-N 3.14Å; S214-Q217 WeakPolarHBondContact OG-CB 3.45Å; S214-Q217 PolarHBondContact OG-N 3.42Å; S214-L218 PolarHBondContact O-N 2.99Å
215A81.1Confident79.2Confident66 Ų6657.7 Ų57.755%0.54535%0.346SS..Hα-helixtrans-58.2-31.5172.700000112.5N219A215-N219 VanDerWaalsContact O-CG 3.31Å; A215-N219 PolarHBondContact O-N 2.94Å; A215-N219 VanDerWaalsContact O-N 3.13Å; A215-N219 PolarHBondContact O-ND2 3.35Å; A215-N219 VanDerWaalsContact O-ND2 3.17Å
216A85.1Confident80Confident58 Ų5853 Ų5348%0.47932%0.316SS..Hα-helixtrans-65.1-48.417500000111.2S214 L218 N219 Q220S214-A216 PolarHBondContact O-N 3.43Å; A216-L218 VanDerWaalsContact C-N 3.33Å; A216-L218 PolarHBondContact O-N 2.77Å; A216-N219 PolarHBondContact O-N 3.08Å; A216-Q220 VanDerWaalsContact O-CG 3.29Å; A216-Q220 WeakPolarHBondContact O-CG 3.41Å; A216-Q220 PolarHBondContact O-N 2.95Å
217Q86.3Confident81.1Confident28 Ų2853 Ų5313%0.13131%0.314CS..Hα-helixtrans-61.8-40.6177.7-165.4-178.515.100111.9L213 S214 N219 Q220 L221 Y723L213-Q217 HydrophobicContact CG-CB 4.3Å; L213-Q217 HydrophobicContact CG-CG 4.42Å; S214-Q217 PolarHBondContact O-N 3.43Å; S214-Q217 VanDerWaalsContact O-N 3.14Å; S214-Q217 WeakPolarHBondContact OG-CB 3.45Å; S214-Q217 PolarHBondContact OG-N 3.42Å; Q217-N219 PolarHBondContact O-N 3.08Å; Q217-Q220 WeakPolarHBondContact O-CB 3.48Å; Q217-Q220 PolarHBondContact O-N 2.9Å; Q217-L221 HydrophobicContact CG-CD1 4.49Å; Q217-L221 WeakPolarHBondContact O-CG 3.06Å; Q217-L221 PolarHBondContact O-N 2.89Å; Q217-Y723 WeakPolarHBondContact CG-OH 3.46Å
218L88.3Confident82.3Confident22 Ų2250.3 Ų50.312%0.11529%0.291CS..Hα-helixtrans-59.1-45.9174.9-174.755.8000112L159 L169 F184 L213 S214 A216 Q220 L221 L222L159-L218 HydrophobicContact CD2-CD1 3.85Å; L169-L218 HydrophobicContact CD1-CD1 4.31Å; L169-L218 HydrophobicContact CD1-CD2 3.95Å; L169-L218 HydrophobicContact CD1-CG 4.34Å; F184-L218 HydrophobicContact CD1-CD1 4.01Å; F184-L218 HydrophobicContact CE1-CD1 3.75Å; F184-L218 HydrophobicContact CZ-CD1 4.14Å; L213-L218 HydrophobicContact CD2-CB 3.64Å; L213-L218 HydrophobicContact CD2-CD1 4.22Å; L213-L218 HydrophobicContact CD2-CG 4.4Å; S214-L218 PolarHBondContact O-N 2.99Å; A216-L218 VanDerWaalsContact C-N 3.33Å; A216-L218 PolarHBondContact O-N 2.77Å; L218-Q220 VanDerWaalsContact C-N 3.32Å; L218-Q220 PolarHBondContact O-N 3.03Å; L218-L221 PolarHBondContact O-N 3.24Å; L218-L222 HydrophobicContact CG-CD1 4.24Å; L218-L222 VanDerWaalsContact O-CG 3.3Å; L218-L222 WeakPolarHBondContact O-CG 3.4Å; L218-L222 PolarHBondContact O-N 3.26Å
219N89.6Confident84.3Confident103 Ų10344.1 Ų44.155%0.55125%0.253SS*.Hα-helixtrans-65.6-36.5178.2-71.1-29.7000111.9A215 A216 Q217 L222 D223A215-N219 VanDerWaalsContact O-CG 3.31Å; A215-N219 PolarHBondContact O-N 2.94Å; A215-N219 VanDerWaalsContact O-N 3.13Å; A215-N219 PolarHBondContact O-ND2 3.35Å; A215-N219 VanDerWaalsContact O-ND2 3.17Å; A216-N219 PolarHBondContact O-N 3.08Å; Q217-N219 PolarHBondContact O-N 3.08Å; N219-L222 PolarHBondContact O-N 3.31Å; N219-D223 WeakPolarHBondContact O-CB 3.31Å; N219-D223 PolarHBondContact O-N 2.73Å
220Q93.6Very high86.2Confident58 Ų5836.4 Ų36.427%0.27121%0.211SC..Hα-helixtrans-62.6-44.8174.2-70.5169.4-17.500111.6A216 Q217 L218 D223 V224 Y723 Y727A216-Q220 VanDerWaalsContact O-CG 3.29Å; A216-Q220 WeakPolarHBondContact O-CG 3.41Å; A216-Q220 PolarHBondContact O-N 2.95Å; Q217-Q220 WeakPolarHBondContact O-CB 3.48Å; Q217-Q220 PolarHBondContact O-N 2.9Å; L218-Q220 VanDerWaalsContact C-N 3.32Å; L218-Q220 PolarHBondContact O-N 3.03Å; Q220-D223 PolarHBondContact O-N 2.88Å; Q220-V224 WeakPolarHBondContact O-CG2 3.4Å; Q220-V224 PolarHBondContact O-N 2.95Å; Q220-Y723 HydrophobicContact CB-CE2 3.8Å; Q220-Y723 PolarHBondContact OE1-OH 2.98Å; Q220-Y727 HydrophobicContact CB-CD1 4.45Å; Q220-Y727 HydrophobicContact CB-CD2 3.84Å; Q220-Y727 HydrophobicContact CB-CE1 4.25Å; Q220-Y727 HydrophobicContact CB-CE2 3.61Å; Q220-Y727 HydrophobicContact CB-CG 4.26Å; Q220-Y727 HydrophobicContact CG-CD1 3.84Å; Q220-Y727 HydrophobicContact CG-CD2 4.15Å; Q220-Y727 HydrophobicContact CG-CE1 3.64Å; Q220-Y727 HydrophobicContact CG-CE2 3.96Å; Q220-Y727 HydrophobicContact CG-CG 4.09Å
221L93.6Very high87.9Confident0 Ų036.6 Ų36.60%021%0.205CC..Hα-helixtrans-62.4-46175.3-68163.3000111.3L152 L155 F156 L159 L213 Q217 L218 D223 V224 C225 Y723L152-L221 HydrophobicContact CD2-CD2 4.07Å; L155-L221 HydrophobicContact CB-CD1 4.19Å; L155-L221 HydrophobicContact CD1-CD1 3.83Å; F156-L221 HydrophobicContact CD1-CD2 4.1Å; F156-L221 HydrophobicContact CE1-CB 4.11Å; F156-L221 HydrophobicContact CE1-CD2 3.54Å; F156-L221 HydrophobicContact CE1-CG 4.45Å; F156-L221 HydrophobicContact CE2-CD2 4.13Å; F156-L221 HydrophobicContact CZ-CD2 3.55Å; L159-L221 HydrophobicContact CD1-CB 3.58Å; L159-L221 HydrophobicContact CD1-CD1 4.35Å; L213-L221 HydrophobicContact CD1-CD1 4.04Å; Q217-L221 HydrophobicContact CG-CD1 4.49Å; Q217-L221 WeakPolarHBondContact O-CG 3.06Å; Q217-L221 PolarHBondContact O-N 2.89Å; L218-L221 PolarHBondContact O-N 3.24Å; L221-D223 VanDerWaalsContact C-N 3.35Å; L221-D223 PolarHBondContact O-N 2.8Å; L221-V224 PolarHBondContact O-N 2.99Å; L221-C225 PolarHBondContact O-N 3.36Å; L221-C225 PolarHBondContact O-SG 2.99Å; L221-C225 VanDerWaalsContact O-SG 3.33Å; L221-Y723 HydrophobicContact CD2-CD2 3.76Å; L221-Y723 HydrophobicContact CD2-CE2 3.63Å; L221-Y723 HydrophobicContact CG-CD2 4.37Å; L221-Y723 HydrophobicContact CG-CE2 3.85Å
222L93.5Very high89.4Confident2 Ų233.6 Ų33.61%0.0119%0.191CC..Hα-helixtrans-60.8-42.5177.4-72.2172.7000112L159 L169 L218 N219 V224 C225 E226L159-L222 HydrophobicContact CD1-CD2 4.43Å; L159-L222 HydrophobicContact CD2-CD2 4.09Å; L169-L222 HydrophobicContact CD1-CD1 3.95Å; L169-L222 HydrophobicContact CD1-CD2 4.48Å; L218-L222 HydrophobicContact CG-CD1 4.24Å; L218-L222 VanDerWaalsContact O-CG 3.3Å; L218-L222 WeakPolarHBondContact O-CG 3.4Å; L218-L222 PolarHBondContact O-N 3.26Å; N219-L222 PolarHBondContact O-N 3.31Å; L222-V224 PolarHBondContact O-N 3.4Å; L222-C225 WeakPolarHBondContact O-CB 3.47Å; L222-C225 PolarHBondContact O-N 2.8Å; L222-E226 WeakPolarHBondContact O-CB 3.05Å; L222-E226 WeakPolarHBondContact O-CG 3.42Å; L222-E226 PolarHBondContact O-N 3.5Å
223D93.7Very high90.7Very high48 Ų4832.6 Ų32.626%0.25719%0.187SC..Hα-helixtrans-61.6-43.4176.6178.566.9000111.7N219 Q220 L221 C225 E226 N227 Y727N219-D223 WeakPolarHBondContact O-CB 3.31Å; N219-D223 PolarHBondContact O-N 2.73Å; Q220-D223 PolarHBondContact O-N 2.88Å; L221-D223 VanDerWaalsContact C-N 3.35Å; L221-D223 PolarHBondContact O-N 2.8Å; D223-C225 VanDerWaalsContact C-N 3.32Å; D223-C225 PolarHBondContact O-N 3.35Å; D223-E226 PolarHBondContact O-N 3.49Å; D223-N227 VanDerWaalsContact O-CB 3.26Å; D223-N227 WeakPolarHBondContact O-CB 3.39Å; D223-N227 PolarHBondContact O-N 3.1Å; D223-N227 PolarHBondContact O-ND2 2.96Å; D223-N227 PolarHBondContact OD1-ND2 3.03Å; D223-N227 PolarHBondContact OD2-ND2 3.49Å; D223-Y727 PolarHBondContact OD2-OH 3.42Å
224V95.8Very high91.7Very high1 Ų131.8 Ų31.81%0.00618%0.183CC..Hα-helixtrans-62.1-41.3174.2172.80000111.4F156 Q220 L221 L222 T228 M719 K722 Y723 L726 Y727F156-V224 HydrophobicContact CE1-CB 4.08Å; F156-V224 HydrophobicContact CE1-CG1 3.97Å; F156-V224 HydrophobicContact CZ-CB 4.07Å; F156-V224 HydrophobicContact CZ-CG1 3.72Å; Q220-V224 WeakPolarHBondContact O-CG2 3.4Å; Q220-V224 PolarHBondContact O-N 2.95Å; L221-V224 PolarHBondContact O-N 2.99Å; L222-V224 PolarHBondContact O-N 3.4Å; V224-T228 VanDerWaalsContact O-CB 3.28Å; V224-T228 WeakPolarHBondContact O-CB 3.24Å; V224-T228 PolarHBondContact O-N 3.33Å; V224-T228 PolarHBondContact O-OG1 3Å; V224-M719 HydrophobicContact CG1-CB 4.04Å; V224-M719 HydrophobicContact CG1-CG 4.4Å; V224-M719 WeakPolarHBondContact CG1-O 3.34Å; V224-K722 HydrophobicContact CG1-CB 4.21Å; V224-Y723 HydrophobicContact CG2-CD2 4.04Å; V224-L726 HydrophobicContact CG2-CD1 4.3Å; V224-Y727 HydrophobicContact CG2-CE2 3.9Å
225C94.8Very high92.4Very high0 Ų033.3 Ų33.30%019%0.186CC..Hα-helixtrans-60.2-55.1176.2-73.80000111.8F156 F160 L221 L222 D223 N227 T228 V229 L706 M719F156-C225 WeakPolarHBondContact CD1-SG 2.9Å; F160-C225 HydrophobicContact CE2-CB 4.42Å; L221-C225 PolarHBondContact O-N 3.36Å; L221-C225 PolarHBondContact O-SG 2.99Å; L221-C225 VanDerWaalsContact O-SG 3.33Å; L222-C225 WeakPolarHBondContact O-CB 3.47Å; L222-C225 PolarHBondContact O-N 2.8Å; D223-C225 VanDerWaalsContact C-N 3.32Å; D223-C225 PolarHBondContact O-N 3.35Å; C225-N227 PolarHBondContact O-N 2.92Å; C225-T228 PolarHBondContact O-N 2.67Å; C225-V229 WeakPolarHBondContact O-CG2 3.49Å; C225-V229 PolarHBondContact O-N 3.39Å; C225-V229 VanDerWaalsContact O-N 3.1Å; C225-L706 HydrophobicContact CB-CD1 3.8Å; C225-L706 HydrophobicContact CB-CD2 3.85Å; C225-L706 HydrophobicContact CB-CG 4.39Å; C225-M719 HydrophobicContact CB-CE 4.32Å
226E93.9Very high93Very high17 Ų1732 Ų328%0.07917%0.169CC..Hα-helixtrans-57-51179.5-75.6-174.8-150.100111.8L222 D223 T228 V229 R230 S702 M705L222-E226 WeakPolarHBondContact O-CB 3.05Å; L222-E226 WeakPolarHBondContact O-CG 3.42Å; L222-E226 PolarHBondContact O-N 3.5Å; D223-E226 PolarHBondContact O-N 3.49Å; E226-T228 VanDerWaalsContact C-N 3.3Å; E226-T228 PolarHBondContact O-N 3.18Å; E226-V229 PolarHBondContact O-N 2.7Å; E226-R230 WeakPolarHBondContact O-CB 3.01Å; E226-R230 PolarHBondContact O-N 2.94Å; E226-R230 IonicContact OE2-NH2 2.79Å; E226-R230 PolarHBondContact OE2-NH2 3.31Å; E226-S702 WeakPolarHBondContact OE1-CA 3.24Å; E226-S702 WeakPolarHBondContact OE1-CB 3.44Å; E226-S702 PolarHBondContact OE1-OG 3.32Å; E226-M705 HydrophobicContact CB-CG 4.44Å; E226-M705 HydrophobicContact CG-CB 4.21Å; E226-M705 HydrophobicContact CG-CG 4.12Å
227N93.9Very high93.5Very high49 Ų4929.4 Ų29.426%0.26215%0.147SC..Hα-helixtrans-66-34.1-175.6-69.6-31.9000111.9D223 C225 R230 E231D223-N227 VanDerWaalsContact O-CB 3.26Å; D223-N227 WeakPolarHBondContact O-CB 3.39Å; D223-N227 PolarHBondContact O-N 3.1Å; D223-N227 PolarHBondContact O-ND2 2.96Å; D223-N227 PolarHBondContact OD1-ND2 3.03Å; D223-N227 PolarHBondContact OD2-ND2 3.49Å; C225-N227 PolarHBondContact O-N 2.92Å; N227-R230 PolarHBondContact OD1-NH1 3.02Å; N227-E231 WeakPolarHBondContact O-CB 3.34Å; N227-E231 PolarHBondContact O-N 3.5Å
228T94.3Very high94Very high14 Ų1432.1 Ų32.19%0.08616%0.156CC..Hα-helixtrans-71.8-45.8178.1-600000112.1V224 C225 E226 R230 E231 E232 M719 K722V224-T228 VanDerWaalsContact O-CB 3.28Å; V224-T228 WeakPolarHBondContact O-CB 3.24Å; V224-T228 PolarHBondContact O-N 3.33Å; V224-T228 PolarHBondContact O-OG1 3Å; C225-T228 PolarHBondContact O-N 2.67Å; E226-T228 VanDerWaalsContact C-N 3.3Å; E226-T228 PolarHBondContact O-N 3.18Å; T228-R230 VanDerWaalsContact C-N 3.33Å; T228-R230 PolarHBondContact O-N 3.23Å; T228-E231 PolarHBondContact O-N 3.2Å; T228-E232 PolarHBondContact O-N 3.01Å; T228-M719 VanDerWaalsContact CB-CE 3.45Å; T228-M719 HydrophobicContact CG2-CE 3.67Å; T228-M719 HydrophobicContact CG2-CG 3.89Å; T228-K722 WeakPolarHBondContact OG1-CD 3.36Å; T228-K722 PolarHBondContact OG1-NZ 2.74Å; T228-K722 VanDerWaalsContact OG1-NZ 3.12Å
229V94.2Very high94.2Very high1 Ų136.8 Ų36.81%0.00618%0.177CC..Hα-helixtrans-63.8-41.6176.3171.90000110.9F160 C225 E226 M233 M705 L706 N709 V712F160-V229 HydrophobicContact CE1-CG2 3.98Å; F160-V229 HydrophobicContact CZ-CG2 3.89Å; C225-V229 WeakPolarHBondContact O-CG2 3.49Å; C225-V229 PolarHBondContact O-N 3.39Å; C225-V229 VanDerWaalsContact O-N 3.1Å; E226-V229 PolarHBondContact O-N 2.7Å; V229-M233 HydrophobicContact CG1-CE 4.3Å; V229-M705 HydrophobicContact CG1-CE 4.2Å; V229-L706 HydrophobicContact CB-CD2 4.38Å; V229-L706 HydrophobicContact CG2-CD2 3.79Å; V229-N709 HydrophobicContact CG1-CB 3.59Å; V229-V712 HydrophobicContact CG1-CB 4.04Å; V229-V712 HydrophobicContact CG1-CG1 4.1Å; V229-V712 HydrophobicContact CG1-CG2 4.32Å
230R95.3Very high94.4Very high4 Ų433.1 Ų33.12%0.01516%0.159CC..Hα-helixtrans-63.5-46.1178.3-168.1-179.2-61.8105.5-2.6112.1E226 N227 T228 E232 M233 L234 V277 D278 M705E226-R230 WeakPolarHBondContact O-CB 3.01Å; E226-R230 PolarHBondContact O-N 2.94Å; E226-R230 IonicContact OE2-NH2 2.79Å; E226-R230 PolarHBondContact OE2-NH2 3.31Å; N227-R230 PolarHBondContact OD1-NH1 3.02Å; T228-R230 VanDerWaalsContact C-N 3.33Å; T228-R230 PolarHBondContact O-N 3.23Å; R230-E232 VanDerWaalsContact C-N 3.3Å; R230-E232 PolarHBondContact O-N 3.11Å; R230-M233 PolarHBondContact O-N 2.66Å; R230-L234 HydrophobicContact CG-CD1 3.86Å; R230-L234 HydrophobicContact CG-CG 4.25Å; R230-L234 WeakPolarHBondContact O-CG 3.36Å; R230-L234 PolarHBondContact O-N 3.47Å; R230-V277 HydrophobicContact CG-CG1 3.72Å; R230-V277 PolarHBondContact NE-O 3.22Å; R230-D278 IonicContact CZ-OD2 3.65Å; R230-D278 IonicContact NE-OD2 3.99Å; R230-D278 PolarHBondContact NE-OD2 2.95Å; R230-D278 IonicContact NH2-OD1 2.69Å; R230-D278 IonicContact NH2-OD2 3.29Å; R230-D278 PolarHBondContact NH2-OD2 3.41Å; R230-M705 HydrophobicContact CB-CE 4.08Å; R230-M705 HydrophobicContact CG-CE 4.47Å
231E94.6Very high94.3Very high65 Ų6535.6 Ų35.630%0.30417%0.166SC..Hα-helixtrans-64.2-34.9-177.1-175.456.2-156.800112.2N227 T228 M233 L234 M235 R238N227-E231 WeakPolarHBondContact O-CB 3.34Å; N227-E231 PolarHBondContact O-N 3.5Å; T228-E231 PolarHBondContact O-N 3.2Å; E231-M233 VanDerWaalsContact C-N 3.32Å; E231-M233 PolarHBondContact O-N 3.41Å; E231-L234 PolarHBondContact O-N 3.44Å; E231-M235 HydrophobicContact CG-CG 4.39Å; E231-M235 VanDerWaalsContact O-CG 3.31Å; E231-M235 WeakPolarHBondContact O-CG 3.46Å; E231-M235 PolarHBondContact O-N 3.21Å; E231-R238 IonicContact OE1-CZ 2.68Å; E231-R238 IonicContact OE1-NH1 3.89Å; E231-R238 PolarHBondContact OE1-NH1 3.08Å; E231-R238 IonicContact OE1-NH2 2.8Å; E231-R238 PolarHBondContact OE1-NH2 3.48Å; E231-R238 IonicContact OE2-CZ 3.49Å; E231-R238 IonicContact OE2-NH1 3.76Å; E231-R238 PolarHBondContact OE2-NH1 3.25Å; E231-R238 IonicContact OE2-NH2 3.5Å; E231-R238 PolarHBondContact OE2-NH2 2.86Å
232E93.2Very high94.5Very high77 Ų7736.3 Ų36.336%0.3617%0.169SC..Hα-helixtrans-57.2-46.2174.7-168.870.1178.400111.8T228 R230 M235 V712T228-E232 PolarHBondContact O-N 3.01Å; R230-E232 VanDerWaalsContact C-N 3.3Å; R230-E232 PolarHBondContact O-N 3.11Å; E232-M235 WeakPolarHBondContact OE2-CE 3.43Å; E232-V712 HydrophobicContact CB-CG1 3.76Å; E232-V712 HydrophobicContact CG-CG1 3.8Å
233M93.9Very high94.7Very high2 Ų236.3 Ų36.31%0.0117%0.169CC..Hα-helixtrans-69.1-42.1176.7-64-177.6-70.100111.9V229 R230 E231 M235 E236 V237 E275 F276 M705 N709 V712V229-M233 HydrophobicContact CG1-CE 4.3Å; R230-M233 PolarHBondContact O-N 2.66Å; E231-M233 VanDerWaalsContact C-N 3.32Å; E231-M233 PolarHBondContact O-N 3.41Å; M233-M235 VanDerWaalsContact C-N 3.3Å; M233-M235 PolarHBondContact O-N 3.28Å; M233-E236 PolarHBondContact O-N 3.32Å; M233-V237 WeakPolarHBondContact O-CG2 3.33Å; M233-V237 PolarHBondContact O-N 3.32Å; M233-V237 VanDerWaalsContact O-N 3.11Å; M233-E275 HydrophobicContact SD-CB 3.83Å; M233-E275 HydrophobicContact SD-CG 4.34Å; M233-F276 WeakPolarHBondContact CE-O 3.3Å; M233-M705 HydrophobicContact CE-CE 3.54Å; M233-N709 HydrophobicContact CE-CB 4.43Å; M233-N709 PolarHBondContact SD-OD1 3.25Å; M233-V712 HydrophobicContact CG-CG1 4.49Å; M233-V712 HydrophobicContact CG-CG2 3.9Å; M233-V712 HydrophobicContact SD-CG2 3.85Å
234L96.3Very high94.9Very high4 Ų434 Ų342%0.02116%0.157CC..Hα-helixtrans-65.5-32.6180-69.8175.2000112.5R230 E231 V237 R238 L263 V277 W302 L304R230-L234 HydrophobicContact CG-CD1 3.86Å; R230-L234 HydrophobicContact CG-CG 4.25Å; R230-L234 WeakPolarHBondContact O-CG 3.36Å; R230-L234 PolarHBondContact O-N 3.47Å; E231-L234 PolarHBondContact O-N 3.44Å; L234-V237 PolarHBondContact O-N 3.28Å; L234-R238 VanDerWaalsContact O-CG 3.32Å; L234-R238 WeakPolarHBondContact O-CG 3.29Å; L234-R238 PolarHBondContact O-N 3.17Å; L234-L263 HydrophobicContact CD2-CD1 3.9Å; L234-V277 HydrophobicContact CD2-CG1 4.08Å; L234-V277 HydrophobicContact CG-CG1 4.46Å; L234-W302 HydrophobicContact CD1-CB 3.69Å; L234-W302 HydrophobicContact CD1-CD2 4.21Å; L234-W302 HydrophobicContact CD1-CG 3.55Å; L234-W302 HydrophobicContact CD2-CB 3.89Å; L234-W302 HydrophobicContact CD2-CD2 4Å; L234-W302 HydrophobicContact CD2-CE3 3.98Å; L234-W302 HydrophobicContact CD2-CG 3.95Å; L234-W302 HydrophobicContact CG-CB 4.44Å; L234-W302 HydrophobicContact CG-CG 4.41Å; L234-L304 HydrophobicContact CD2-CD1 4.19Å
235M94.8Very high95Very high80 Ų8034 Ų3439%0.39416%0.157SC..Hα-helixtrans-58.3-48.3171.8-76.4-168.2-61.900110.8E231 E232 M233 V237 R238 E239E231-M235 HydrophobicContact CG-CG 4.39Å; E231-M235 VanDerWaalsContact O-CG 3.31Å; E231-M235 WeakPolarHBondContact O-CG 3.46Å; E231-M235 PolarHBondContact O-N 3.21Å; E232-M235 WeakPolarHBondContact OE2-CE 3.43Å; M233-M235 VanDerWaalsContact C-N 3.3Å; M233-M235 PolarHBondContact O-N 3.28Å; M235-V237 VanDerWaalsContact C-N 3.32Å; M235-V237 PolarHBondContact O-N 2.94Å; M235-R238 PolarHBondContact O-N 3.28Å; M235-E239 WeakPolarHBondContact O-CG 3.46Å; M235-E239 PolarHBondContact O-N 3.5Å
236E94.5Very high95.2Very high40 Ų4034 Ų3419%0.18716%0.157CC..Hα-helixtrans-61.7-39.5177.2-64.7-171.8-124.400112.5M233 E239 S240 F265 R273M233-E236 PolarHBondContact O-N 3.32Å; E236-E239 PolarHBondContact O-N 3.14Å; E236-S240 WeakPolarHBondContact O-CB 3.49Å; E236-S240 PolarHBondContact O-N 3.39Å; E236-S240 PolarHBondContact O-OG 2.86Å; E236-F265 HydrophobicContact CB-CE2 3.66Å; E236-F265 HydrophobicContact CB-CZ 4.03Å; E236-R273 IonicContact OE1-CZ 2.72Å; E236-R273 IonicContact OE1-NH1 2.99Å; E236-R273 PolarHBondContact OE1-NH1 3.36Å; E236-R273 IonicContact OE2-CZ 2.69Å; E236-R273 IonicContact OE2-NH1 3.76Å; E236-R273 PolarHBondContact OE2-NH1 3.02Å
237V96.3Very high95.3Very high2 Ų233.3 Ų33.31%0.01215%0.154CC..Hα-helixtrans-61.2-47.5176-179.70000110.6M233 L234 M235 E239 S240 R241 Y243 L263 F265 L304M233-V237 WeakPolarHBondContact O-CG2 3.33Å; M233-V237 PolarHBondContact O-N 3.32Å; M233-V237 VanDerWaalsContact O-N 3.11Å; L234-V237 PolarHBondContact O-N 3.28Å; M235-V237 VanDerWaalsContact C-N 3.32Å; M235-V237 PolarHBondContact O-N 2.94Å; V237-E239 VanDerWaalsContact C-N 3.33Å; V237-E239 PolarHBondContact O-N 3.17Å; V237-S240 WeakPolarHBondContact O-CB 3.06Å; V237-S240 PolarHBondContact O-N 3Å; V237-S240 VanDerWaalsContact O-N 3.11Å; V237-R241 PolarHBondContact O-N 2.9Å; V237-R241 VanDerWaalsContact O-N 3.1Å; V237-Y243 HydrophobicContact CG1-CD1 4.14Å; V237-Y243 HydrophobicContact CG1-CG 4.14Å; V237-L263 HydrophobicContact CG1-CD1 4.35Å; V237-L263 HydrophobicContact CG2-CB 4.35Å; V237-L263 HydrophobicContact CG2-CD1 4.08Å; V237-F265 HydrophobicContact CG2-CD1 3.52Å; V237-F265 HydrophobicContact CG2-CD2 4.39Å; V237-F265 HydrophobicContact CG2-CE1 3.54Å; V237-F265 HydrophobicContact CG2-CE2 4.42Å; V237-F265 HydrophobicContact CG2-CG 3.95Å; V237-F265 HydrophobicContact CG2-CZ 4.01Å; V237-L304 HydrophobicContact CB-CD2 4.33Å; V237-L304 HydrophobicContact CG1-CD1 4.13Å; V237-L304 HydrophobicContact CG1-CD2 3.81Å
238R95.4Very high95.2Very high86 Ų8631.3 Ų31.333%0.32515%0.145SC..Hα-helixtrans-64-37.7-179.7-69.9-177.9-149.8111.9-11.1112.1E231 L234 M235 S240 R241 W302 L304E231-R238 IonicContact OE1-CZ 2.68Å; E231-R238 IonicContact OE1-NH1 3.89Å; E231-R238 PolarHBondContact OE1-NH1 3.08Å; E231-R238 IonicContact OE1-NH2 2.8Å; E231-R238 PolarHBondContact OE1-NH2 3.48Å; E231-R238 IonicContact OE2-CZ 3.49Å; E231-R238 IonicContact OE2-NH1 3.76Å; E231-R238 PolarHBondContact OE2-NH1 3.25Å; E231-R238 IonicContact OE2-NH2 3.5Å; E231-R238 PolarHBondContact OE2-NH2 2.86Å; L234-R238 VanDerWaalsContact O-CG 3.32Å; L234-R238 WeakPolarHBondContact O-CG 3.29Å; L234-R238 PolarHBondContact O-N 3.17Å; M235-R238 PolarHBondContact O-N 3.28Å; R238-S240 VanDerWaalsContact C-N 3.3Å; R238-R241 PolarHBondContact O-N 3.44Å; R238-W302 PolarHBondContact NE-O 3.12Å; R238-W302 PolarHBondContact NH2-O 2.85Å; R238-L304 HydrophobicContact CG-CD2 3.56Å
239E93.9Very high95.1Very high119 Ų11932.6 Ų32.656%0.55615%0.151SC*.Hα-helixtrans-66.4-33.6173.8-70.6179.1156.600112.7M235 E236 V237 R241 Q268M235-E239 WeakPolarHBondContact O-CG 3.46Å; M235-E239 PolarHBondContact O-N 3.5Å; E236-E239 PolarHBondContact O-N 3.14Å; V237-E239 VanDerWaalsContact C-N 3.33Å; V237-E239 PolarHBondContact O-N 3.17Å; E239-R241 VanDerWaalsContact C-N 3.26Å; E239-R241 PolarHBondContact O-N 3.43Å; E239-Q268 PolarHBondContact OE1-NE2 2.93Å; E239-Q268 PolarHBondContact OE2-NE2 3.13Å
240S92.5Very high95Very high26 Ų2634.9 Ų34.918%0.18216%0.163CC..Hα-helixtrans-74.6-18.3178.1-54.20000112.9E236 V237 R238 F242 F265 V266E236-S240 WeakPolarHBondContact O-CB 3.49Å; E236-S240 PolarHBondContact O-N 3.39Å; E236-S240 PolarHBondContact O-OG 2.86Å; V237-S240 WeakPolarHBondContact O-CB 3.06Å; V237-S240 PolarHBondContact O-N 3Å; V237-S240 VanDerWaalsContact O-N 3.11Å; R238-S240 VanDerWaalsContact C-N 3.3Å; S240-F242 PolarHBondContact O-N 3.06Å; S240-F265 WeakPolarHBondContact OG-CD2 3.38Å; S240-V266 VanDerWaalsContact CB-O 3.27Å; S240-V266 WeakPolarHBondContact CB-O 3.5Å; S240-V266 PolarHBondContact OG-O 3.16Å
241R92.5Very high94.8Very high111 Ų11135.3 Ų35.342%0.41917%0.166SC..  trans63.7-62.1-172.8-179.8-176.5174-163.6-4.2113.2V237 R238 E239 D308V237-R241 PolarHBondContact O-N 2.9Å; V237-R241 VanDerWaalsContact O-N 3.1Å; R238-R241 PolarHBondContact O-N 3.44Å; E239-R241 VanDerWaalsContact C-N 3.26Å; E239-R241 PolarHBondContact O-N 3.43Å; R241-D308 HydrophobicContact CG-CB 4.32Å; R241-D308 WeakPolarHBondContact CG-OD1 3.47Å; R241-D308 IonicContact CZ-OD1 2.64Å; R241-D308 IonicContact NE-OD1 3.25Å; R241-D308 PolarHBondContact NE-OD1 3.35Å; R241-D308 IonicContact NH2-OD1 3.51Å; R241-D308 VanDerWaalsContact O-CB 3.24Å; R241-D308 WeakPolarHBondContact O-CB 3.4Å
242F97.1Very high94.7Very high15 Ų1537.2 Ų37.27%0.06618%0.175CC..  trans-89.4140.3-174.2-56.2-62.2000112.4S240 D308 R310 D614 V666S240-F242 PolarHBondContact O-N 3.06Å; F242-D308 WeakPolarHBondContact CA-O 2.99Å; F242-D308 HydrophobicContact CD1-CB 4.14Å; F242-R310 HydrophobicContact CB-CG 4.25Å; F242-R310 HydrophobicContact CD1-CG 4.01Å; F242-R310 HydrophobicContact CG-CG 4.36Å; F242-D614 HydrophobicContact CE1-CB 4.02Å; F242-D614 WeakPolarHBondContact CE1-OD1 3.38Å; F242-D614 HydrophobicContact CE2-CB 4.13Å; F242-D614 HydrophobicContact CZ-CB 3.44Å; F242-D614 VanDerWaalsContact CZ-CB 3.44Å; F242-V666 HydrophobicContact CB-CG2 4.5Å; F242-V666 HydrophobicContact CD1-CG2 4.47Å; F242-V666 HydrophobicContact CD2-CG2 3.46Å; F242-V666 VanDerWaalsContact CD2-CG2 3.46Å; F242-V666 HydrophobicContact CE2-CG2 3.66Å; F242-V666 HydrophobicContact CG-CG2 3.9Å; F242-V666 HydrophobicContact CZ-CG2 4.26Å
243Y98Very high94.5Very high1 Ų134 Ų340%0.00416%0.16CC..EExtended strand (participates in β ladder)trans-148167.817767.1-82000111.5V237 L263 R264 L298 L304 S305 D308 C309 R310V237-Y243 HydrophobicContact CG1-CD1 4.14Å; V237-Y243 HydrophobicContact CG1-CG 4.14Å; Y243-L263 HydrophobicContact CD2-CD2 3.75Å; Y243-L263 HydrophobicContact CE2-CD2 4.02Å; Y243-R264 CarbonylContact C-O 3.18Å; Y243-R264 WeakPolarHBondContact CA-O 3.4Å; Y243-R264 WeakPolarHBondContact CB-O 3.48Å; Y243-L298 HydrophobicContact CE2-CD2 4.39Å; Y243-L304 HydrophobicContact CE1-CB 4.13Å; Y243-L304 HydrophobicContact CE1-CD1 4.37Å; Y243-L304 HydrophobicContact CE2-CD1 4.42Å; Y243-S305 VanDerWaalsContact CE1-O 3.27Å; Y243-S305 WeakPolarHBondContact CE1-O 3.35Å; Y243-S305 PolarHBondContact OH-O 3.04Å; Y243-D308 HydrophobicContact CE1-CB 4.41Å; Y243-D308 PolarHBondContact N-O 3.4Å; Y243-C309 HydrophobicContact CE1-CB 4.47Å; Y243-C309 HydrophobicContact CE2-CB 4.05Å; Y243-C309 CarbonylContact O-C 3.51Å; Y243-C309 VanDerWaalsContact O-CA 3.31Å; Y243-C309 WeakPolarHBondContact O-CA 3.4Å; Y243-R310 PolarHBondContact O-N 2.94Å
244S98.3Very high93.9Very high0 Ų038.4 Ų38.40%020%0.196CC..EExtended strand (participates in β ladder)trans-122.5145.5167.1-65.50000110.3R264 G311 T669S244-R264 PolarHBondContact N-O 2.89Å; S244-R264 PolarHBondContact O-N 2.76Å; S244-G311 CarbonylContact C-O 3.2Å; S244-G311 WeakPolarHBondContact CA-O 3.43Å; S244-G311 VanDerWaalsContact CB-O 3.22Å; S244-G311 WeakPolarHBondContact CB-O 3.43Å; S244-G311 WeakPolarHBondContact OG-CA 3.42Å; S244-G311 PolarHBondContact OG-N 3.48Å; S244-T669 WeakPolarHBondContact CB-O 3.49Å; S244-T669 PolarHBondContact OG-O 3.43Å
245L98Very high93.1Very high1 Ų145.3 Ų45.31%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-87.7125.7175.4177.367.6000110.1T247 V261 L263 L294 G311 Q312 A313 L331L245-T247 HydrophobicContact CG-CG2 4.37Å; L245-V261 HydrophobicContact CD1-CG1 3.66Å; L245-L263 HydrophobicContact CD1-CD2 4.32Å; L245-L294 HydrophobicContact CD1-CD1 4.23Å; L245-L294 HydrophobicContact CD2-CD1 3.96Å; L245-L294 HydrophobicContact CD2-CD2 3.41Å; L245-L294 VanDerWaalsContact CD2-CD2 3.41Å; L245-L294 HydrophobicContact CD2-CG 4.12Å; L245-G311 PolarHBondContact N-O 3.04Å; L245-Q312 HydrophobicContact CB-CB 4.45Å; L245-Q312 CarbonylContact O-C 3.44Å; L245-Q312 WeakPolarHBondContact O-CA 3.47Å; L245-A313 PolarHBondContact O-N 3.17Å; L245-L331 HydrophobicContact CD2-CD1 4.44Å
246V97.6Very high92.8Very high1 Ų144 Ų441%0.00623%0.232CC..EExtended strand (participates in β ladder)trans-123.2136.1172.3-178.50000108.8F262 R264 A313 P671V246-F262 HydrophobicContact CB-CB 4.1Å; V246-F262 PolarHBondContact N-O 3.42Å; V246-F262 WeakPolarHBondContact O-CA 3.21Å; V246-F262 WeakPolarHBondContact O-CB 3.31Å; V246-F262 PolarHBondContact O-N 3.04Å; V246-R264 HydrophobicContact CG2-CB 4.44Å; V246-A313 CarbonylContact C-O 3.51Å; V246-A313 VanDerWaalsContact CA-O 3.29Å; V246-A313 WeakPolarHBondContact CA-O 3.44Å; V246-A313 HydrophobicContact CG2-CB 4.43Å; V246-P671 HydrophobicContact CG2-CB 4.43Å
247T96.1Very high92.7Very high1 Ų145.7 Ų45.71%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-121.1145.6176.772.10000111.7L245 L259 P260 A313 H314 K315L245-T247 HydrophobicContact CG-CG2 4.37Å; T247-L259 HydrophobicContact CG2-CD2 3.9Å; T247-L259 HydrophobicContact CG2-CG 4.24Å; T247-P260 CarbonylContact C-O 3.52Å; T247-P260 VanDerWaalsContact CA-O 3.24Å; T247-P260 WeakPolarHBondContact CA-O 3.49Å; T247-A313 PolarHBondContact N-O 3.14Å; T247-H314 WeakPolarHBondContact CG2-ND1 3.44Å; T247-H314 WeakPolarHBondContact OG1-CA 3.38Å; T247-H314 WeakPolarHBondContact OG1-CB 3.28Å; T247-H314 PolarHBondContact OG1-ND1 2.74Å; T247-K315 VanDerWaalsContact O-CB 3.27Å; T247-K315 WeakPolarHBondContact O-CB 3.38Å; T247-K315 PolarHBondContact O-N 3.44Å
248G93.2Very high92.6Very high8 Ų846.6 Ų46.68%0.08224%0.243CC..  trans-90.9178.1177.400000113.9L259 P260 K315G248-L259 VanDerWaalsContact O-CD1 3.3Å; G248-L259 WeakPolarHBondContact O-CD1 3.35Å; G248-P260 PolarHBondContact N-O 3.01Å; G248-K315 CarbonylContact C-O 3.45Å
249D90.7Very high92.6Very high40 Ų4042.8 Ų42.821%0.21423%0.229CC..  trans-63151.7168.4-70.8-57.9000110.7V251 P260 K315 T317D249-V251 PolarHBondContact O-N 3.14Å; D249-P260 WeakPolarHBondContact O-CD 3.28Å; D249-P260 VanDerWaalsContact O-CG 3.29Å; D249-P260 WeakPolarHBondContact O-CG 3.3Å; D249-K315 PolarHBondContact N-O 2.95Å; D249-K315 WeakPolarHBondContact OD2-CE 3.41Å; D249-K315 WeakPolarHBondContact OD2-CG 3.43Å; D249-K315 IonicContact OD2-NZ 3.96Å; D249-K315 PolarHBondContact OD2-NZ 2.81Å; D249-T317 WeakPolarHBondContact OD1-CB 3.44Å; D249-T317 VanDerWaalsContact OD1-CG2 3.23Å; D249-T317 WeakPolarHBondContact OD1-CG2 3.36Å; D249-T317 PolarHBondContact OD1-OG1 2.9Å
250L92.7Very high92.8Very high49 Ų4937.1 Ų37.126%0.25720%0.202SC..  trans-59.8135.7178.5-63.8179.5000111.7K257 H258 L259 F282L250-K257 HydrophobicContact CD1-CD 4.17Å; L250-H258 WeakPolarHBondContact CA-O 3.34Å; L250-L259 HydrophobicContact CD2-CB 4.13Å; L250-L259 HydrophobicContact CD2-CD1 3.91Å; L250-F282 HydrophobicContact CD1-CD1 3.67Å; L250-F282 HydrophobicContact CD1-CE1 3.7Å; L250-F282 HydrophobicContact CD1-CG 4.13Å; L250-F282 HydrophobicContact CD1-CZ 4.17Å; L250-F282 HydrophobicContact CD2-CB 3.7Å; L250-F282 HydrophobicContact CD2-CD1 3.87Å; L250-F282 HydrophobicContact CD2-CD2 3.55Å; L250-F282 HydrophobicContact CD2-CE1 4.36Å; L250-F282 HydrophobicContact CD2-CE2 4.05Å; L250-F282 HydrophobicContact CD2-CG 3.42Å; L250-F282 VanDerWaalsContact CD2-CG 3.42Å; L250-F282 HydrophobicContact CD2-CZ 4.42Å; L250-F282 HydrophobicContact CG-CD1 4.46Å; L250-F282 HydrophobicContact CG-CG 4.45Å
251V92.3Very high93Very high13 Ų1335.9 Ų35.98%0.07919%0.194CC..EExtended strand (participates in β ladder)trans-116.6136.9176.6-1790000108.8D249 F253 K257 H258 P260 F279 L691D249-V251 PolarHBondContact O-N 3.14Å; V251-F253 HydrophobicContact CB-CE2 4.06Å; V251-F253 HydrophobicContact CG1-CD2 4.17Å; V251-F253 HydrophobicContact CG1-CE1 4.35Å; V251-F253 HydrophobicContact CG1-CE2 3.55Å; V251-F253 HydrophobicContact CG1-CZ 3.66Å; V251-K257 CarbonylContact O-C 3.57Å; V251-H258 PolarHBondContact N-O 3.02Å; V251-H258 PolarHBondContact O-N 3.09Å; V251-P260 HydrophobicContact CG2-CG 3.69Å; V251-F279 HydrophobicContact CB-CE1 4.38Å; V251-F279 HydrophobicContact CG2-CE1 4.3Å; V251-L691 HydrophobicContact CG1-CD1 4.24Å; V251-L691 HydrophobicContact CG1-CD2 3.6Å; V251-L691 HydrophobicContact CG2-CD1 3.75Å
252E91.1Very high93.2Very high105 Ų10530.7 Ų30.749%0.49117%0.174SC..EExtended strand (participates in β ladder)trans-102.3123.8-179.9-168.5169.6-172.600111.2N255 S256E252-N255 WeakPolarHBondContact OE1-CA 3.48Å; E252-S256 WeakPolarHBondContact CA-O 3.28Å
253F88.9Confident93.3Very high10 Ų1030 Ų304%0.04417%0.171CC..EExtended strand (participates in β ladder)trans-118.8122.7172.2-62.3-82.4000108.5V251 N255 S256 H258 F279 L699 A704V251-F253 HydrophobicContact CB-CE2 4.06Å; V251-F253 HydrophobicContact CG1-CD2 4.17Å; V251-F253 HydrophobicContact CG1-CE1 4.35Å; V251-F253 HydrophobicContact CG1-CE2 3.55Å; V251-F253 HydrophobicContact CG1-CZ 3.66Å; F253-N255 VanDerWaalsContact C-N 3.27Å; F253-N255 PolarHBondContact O-N 3.05Å; F253-N255 VanDerWaalsContact O-N 3.12Å; F253-S256 PolarHBondContact N-O 2.92Å; F253-S256 PolarHBondContact O-N 3.08Å; F253-S256 PolarHBondContact O-OG 3.46Å; F253-H258 HydrophobicContact CD2-CB 4.13Å; F253-H258 AromaticContact CD2-CG 3.95Å; F253-H258 AromaticContact CD2-ND1 3.65Å; F253-H258 HydrophobicContact CE2-CB 4.28Å; F253-F279 AromaticContact CE2-CD1 3.67Å; F253-F279 HydrophobicContact CE2-CD1 3.67Å; F253-F279 HydrophobicContact CE2-CD2 4.15Å; F253-F279 AromaticContact CE2-CE1 3.76Å; F253-F279 HydrophobicContact CE2-CE1 3.76Å; F253-F279 HydrophobicContact CE2-CE2 4.22Å; F253-F279 AromaticContact CE2-CG 3.87Å; F253-F279 HydrophobicContact CE2-CG 3.87Å; F253-F279 HydrophobicContact CE2-CZ 4.04Å; F253-F279 HydrophobicContact CZ-CD1 4.15Å; F253-F279 HydrophobicContact CZ-CD2 4.19Å; F253-F279 AromaticContact CZ-CE1 3.8Å; F253-F279 HydrophobicContact CZ-CE1 3.8Å; F253-F279 AromaticContact CZ-CE2 3.84Å; F253-F279 HydrophobicContact CZ-CE2 3.84Å; F253-F279 HydrophobicContact CZ-CG 4.32Å; F253-F279 AromaticContact CZ-CZ 3.64Å; F253-F279 HydrophobicContact CZ-CZ 3.64Å; F253-L699 HydrophobicContact CD1-CB 3.8Å; F253-L699 HydrophobicContact CE1-CB 4Å; F253-A704 HydrophobicContact CZ-CB 4.49Å
254A81.8Confident93.2Very high94 Ų9429.9 Ų29.978%0.77717%0.171SC*.THydrogen-bonded Turntrans45.845.5176.400000114.6S256A254-S256 VanDerWaalsContact C-N 3.34Å
255N79.3Confident93.1Very high149 Ų14930 Ų3080%0.79717%0.171SC*.THydrogen-bonded Turntrans69.120.3-177.4-48.1-37.9000116E252 F253E252-N255 WeakPolarHBondContact OE1-CA 3.48Å; F253-N255 VanDerWaalsContact C-N 3.27Å; F253-N255 PolarHBondContact O-N 3.05Å; F253-N255 VanDerWaalsContact O-N 3.12Å
256S89Confident93Very high52 Ų5230.3 Ų30.336%0.36417%0.173SC..EExtended strand (participates in β ladder)trans-124.4127.7174.860.10000111E252 F253 A254 H258E252-S256 WeakPolarHBondContact CA-O 3.28Å; F253-S256 PolarHBondContact N-O 2.92Å; F253-S256 PolarHBondContact O-N 3.08Å; F253-S256 PolarHBondContact O-OG 3.46Å; A254-S256 VanDerWaalsContact C-N 3.34Å; S256-H258 PolarHBondContact O-ND1 3.33Å; S256-H258 PolarHBondContact OG-CE1 3.07Å
257K92.4Very high92.8Very high76 Ų7631 Ų3133%0.3318%0.177SC..EExtended strand (participates in β ladder)trans-79.4139.6-179.8-62.9175.5-168.3159.20109.9L250 V251 F282 D284L250-K257 HydrophobicContact CD1-CD 4.17Å; V251-K257 CarbonylContact O-C 3.57Å; K257-F282 HydrophobicContact CB-CB 4.22Å; K257-F282 PolarHBondContact O-N 2.9Å; K257-D284 IonicContact NZ-OD1 2.68Å; K257-D284 IonicContact NZ-OD2 3.94Å; K257-D284 PolarHBondContact NZ-OD2 3.15Å
258H94.4Very high92.6Very high22 Ų2237 Ų3710%0.10221%0.205CC..EExtended strand (participates in β ladder)trans-135.1143.4179.4-69.880.4000110.2L250 V251 F253 S256 P260 F279 L280L250-H258 WeakPolarHBondContact CA-O 3.34Å; V251-H258 PolarHBondContact N-O 3.02Å; V251-H258 PolarHBondContact O-N 3.09Å; F253-H258 HydrophobicContact CD2-CB 4.13Å; F253-H258 AromaticContact CD2-CG 3.95Å; F253-H258 AromaticContact CD2-ND1 3.65Å; F253-H258 HydrophobicContact CE2-CB 4.28Å; S256-H258 PolarHBondContact O-ND1 3.33Å; S256-H258 PolarHBondContact OG-CE1 3.07Å; H258-P260 WeakPolarHBondContact O-CD 3.41Å; H258-F279 HydrophobicContact CB-CB 3.97Å; H258-F279 HydrophobicContact CB-CD1 4.35Å; H258-L280 CarbonylContact C-O 3.57Å; H258-L280 VanDerWaalsContact CA-O 3.32Å; H258-L280 WeakPolarHBondContact CA-O 3.38Å
259L95.2Very high92.5Very high5 Ų542.1 Ų42.13%0.02623%0.227CC..EExtended strand (participates in β ladder)trans-95.8114.9176-174.167.9000109T247 G248 L250 V261 L280 F282 M324T247-L259 HydrophobicContact CG2-CD2 3.9Å; T247-L259 HydrophobicContact CG2-CG 4.24Å; G248-L259 VanDerWaalsContact O-CD1 3.3Å; G248-L259 WeakPolarHBondContact O-CD1 3.35Å; L250-L259 HydrophobicContact CD2-CB 4.13Å; L250-L259 HydrophobicContact CD2-CD1 3.91Å; L259-V261 PolarHBondContact O-N 3.06Å; L259-L280 HydrophobicContact CB-CB 4.38Å; L259-L280 HydrophobicContact CD2-CD2 4.48Å; L259-L280 PolarHBondContact N-O 3.43Å; L259-L280 PolarHBondContact O-N 3.4Å; L259-F282 HydrophobicContact CB-CD2 4.26Å; L259-M324 HydrophobicContact CD1-CE 4.48Å; L259-M324 HydrophobicContact CD1-SD 4.43Å; L259-M324 HydrophobicContact CD2-CE 3.87Å; L259-M324 HydrophobicContact CD2-SD 4.1Å
260P96.9Very high92.6Very high0 Ų041.2 Ų41.20%022%0.222CC..EExtended strand (participates in β ladder)trans-64.5130.3172-18.832000110.2T247 G248 D249 V251 H258 F262 F276 F279 L687T247-P260 CarbonylContact C-O 3.52Å; T247-P260 VanDerWaalsContact CA-O 3.24Å; T247-P260 WeakPolarHBondContact CA-O 3.49Å; G248-P260 PolarHBondContact N-O 3.01Å; D249-P260 WeakPolarHBondContact O-CD 3.28Å; D249-P260 VanDerWaalsContact O-CG 3.29Å; D249-P260 WeakPolarHBondContact O-CG 3.3Å; V251-P260 HydrophobicContact CG2-CG 3.69Å; H258-P260 WeakPolarHBondContact O-CD 3.41Å; P260-F262 HydrophobicContact CB-CE2 3.8Å; P260-F262 HydrophobicContact CB-CZ 4.3Å; P260-F276 HydrophobicContact CB-CD2 4.43Å; P260-F276 HydrophobicContact CB-CE2 3.91Å; P260-F279 HydrophobicContact CB-CD1 4.25Å; P260-F279 HydrophobicContact CB-CE1 4.15Å; P260-F279 HydrophobicContact CG-CD1 4.13Å; P260-F279 HydrophobicContact CG-CE1 3.98Å; P260-L687 HydrophobicContact CB-CD2 3.86Å; P260-L687 HydrophobicContact CG-CD2 3.93Å
261V97.5Very high92.6Very high0 Ų041.7 Ų41.70%023%0.226CC..EExtended strand (participates in β ladder)trans-114.4128.1-179.2179.80000110.1L245 L259 V277 D278 L280 W302L245-V261 HydrophobicContact CD1-CG1 3.66Å; L259-V261 PolarHBondContact O-N 3.06Å; V261-V277 PolarHBondContact O-N 3.1Å; V261-D278 PolarHBondContact N-O 2.86Å; V261-L280 HydrophobicContact CG2-CB 3.88Å; V261-W302 HydrophobicContact CB-CH2 4.31Å; V261-W302 HydrophobicContact CG1-CH2 3.81Å; V261-W302 HydrophobicContact CG1-CZ3 4.06Å
262F97.8Very high92.7Very high2 Ų242.2 Ų42.21%0.00923%0.229CC..EExtended strand (participates in β ladder)trans-121.5147.1177.5-54-102000109.9V246 P260 E274 E275 F276 A683 L687V246-F262 HydrophobicContact CB-CB 4.1Å; V246-F262 PolarHBondContact N-O 3.42Å; V246-F262 WeakPolarHBondContact O-CA 3.21Å; V246-F262 WeakPolarHBondContact O-CB 3.31Å; V246-F262 PolarHBondContact O-N 3.04Å; P260-F262 HydrophobicContact CB-CE2 3.8Å; P260-F262 HydrophobicContact CB-CZ 4.3Å; F262-E274 HydrophobicContact CB-CG 4.3Å; F262-E275 CarbonylContact C-O 3.57Å; F262-E275 WeakPolarHBondContact CA-O 3Å; F262-E275 WeakPolarHBondContact CB-O 3.16Å; F262-F276 HydrophobicContact CD1-CB 3.75Å; F262-F276 HydrophobicContact CD1-CD2 4.16Å; F262-F276 HydrophobicContact CD1-CG 4.49Å; F262-F276 HydrophobicContact CE1-CB 3.68Å; F262-F276 AromaticContact CE1-CD2 3.82Å; F262-F276 HydrophobicContact CE1-CD2 3.82Å; F262-F276 HydrophobicContact CE1-CG 4.21Å; F262-F276 HydrophobicContact CE2-CD2 4.37Å; F262-F276 AromaticContact CZ-CD2 3.93Å; F262-F276 HydrophobicContact CZ-CD2 3.93Å; F262-A683 HydrophobicContact CD1-CB 3.87Å; F262-A683 HydrophobicContact CE1-CB 3.81Å; F262-L687 HydrophobicContact CE2-CD2 4.48Å; F262-L687 HydrophobicContact CZ-CD2 3.81Å
263L97.5Very high92.8Very high0 Ų039.3 Ų39.30%021%0.213CC..EExtended strand (participates in β ladder)trans-116.8131.2172.5-63.4-179.2000109.8L234 V237 Y243 L245 E274 E275 V277 L298 W302 L304L234-L263 HydrophobicContact CD2-CD1 3.9Å; V237-L263 HydrophobicContact CG1-CD1 4.35Å; V237-L263 HydrophobicContact CG2-CB 4.35Å; V237-L263 HydrophobicContact CG2-CD1 4.08Å; Y243-L263 HydrophobicContact CD2-CD2 3.75Å; Y243-L263 HydrophobicContact CE2-CD2 4.02Å; L245-L263 HydrophobicContact CD1-CD2 4.32Å; L263-E274 WeakPolarHBondContact O-CA 3.36Å; L263-E275 PolarHBondContact N-O 3.18Å; L263-E275 PolarHBondContact O-N 3.47Å; L263-V277 HydrophobicContact CB-CG2 4.07Å; L263-V277 HydrophobicContact CD1-CG2 3.91Å; L263-V277 HydrophobicContact CG-CG2 3.75Å; L263-L298 HydrophobicContact CD2-CD2 3.97Å; L263-W302 HydrophobicContact CD1-CE3 4.08Å; L263-W302 HydrophobicContact CD1-CZ3 4.07Å; L263-W302 HydrophobicContact CD2-CZ3 4.46Å; L263-W302 HydrophobicContact CG-CZ3 4.35Å; L263-L304 HydrophobicContact CD1-CD1 3.53Å
264R96.9Very high93.1Very high0 Ų039.7 Ų39.70%022%0.215CC..EExtended strand (participates in β ladder)trans-111.7121.8179.7178176.3174.8150.9-2.7110.6Y243 S244 V246 L272 R273 E274 S668 T669 M670 P671 L673Y243-R264 CarbonylContact C-O 3.18Å; Y243-R264 WeakPolarHBondContact CA-O 3.4Å; Y243-R264 WeakPolarHBondContact CB-O 3.48Å; S244-R264 PolarHBondContact N-O 2.89Å; S244-R264 PolarHBondContact O-N 2.76Å; V246-R264 HydrophobicContact CG2-CB 4.44Å; R264-L272 HydrophobicContact CG-CD1 3.82Å; R264-R273 CarbonylContact C-O 3.57Å; R264-R273 VanDerWaalsContact CA-O 3.23Å; R264-R273 WeakPolarHBondContact CA-O 3.41Å; R264-E274 HydrophobicContact CB-CB 4.36Å; R264-E274 HydrophobicContact CB-CG 4.31Å; R264-E274 HydrophobicContact CG-CB 4.44Å; R264-E274 IonicContact NH1-OE2 3.79Å; R264-S668 PolarHBondContact NH2-O 2.91Å; R264-S668 VanDerWaalsContact NH2-O 3.13Å; R264-T669 WeakPolarHBondContact CD-O 3.44Å; R264-T669 PolarHBondContact NE-O 3.28Å; R264-M670 PolarHBondContact NH2-O 2.92Å; R264-P671 PolarHBondContact NH1-O 2.86Å; R264-L673 PolarHBondContact NH1-O 2.92Å; R264-L673 PolarHBondContact NH2-O 3.43Å
265F96.8Very high93.7Very high1 Ų135.8 Ų35.80%0.00418%0.181CC..EExtended strand (participates in β ladder)trans-152.5165.2-172.262.7-81.8000111.3E236 V237 S240 N267 R273 E275E236-F265 HydrophobicContact CB-CE2 3.66Å; E236-F265 HydrophobicContact CB-CZ 4.03Å; V237-F265 HydrophobicContact CG2-CD1 3.52Å; V237-F265 HydrophobicContact CG2-CD2 4.39Å; V237-F265 HydrophobicContact CG2-CE1 3.54Å; V237-F265 HydrophobicContact CG2-CE2 4.42Å; V237-F265 HydrophobicContact CG2-CG 3.95Å; V237-F265 HydrophobicContact CG2-CZ 4.01Å; S240-F265 WeakPolarHBondContact OG-CD2 3.38Å; F265-N267 HydrophobicContact CE2-CB 4.21Å; F265-R273 HydrophobicContact CE1-CB 4.28Å; F265-R273 HydrophobicContact CE2-CB 4.44Å; F265-R273 HydrophobicContact CZ-CB 4.16Å; F265-R273 PolarHBondContact N-O 3.1Å; F265-R273 PolarHBondContact O-N 2.81Å; F265-E275 HydrophobicContact CE1-CG 4.3Å
266V95.5Very high94.6Very high9 Ų928.7 Ų28.76%0.05514%0.143CC..EExtended strand (participates in β ladder)trans-106113.5175.1-178.90000109.2S240 V271 L272 L649 K665 T669S240-V266 VanDerWaalsContact CB-O 3.27Å; S240-V266 WeakPolarHBondContact CB-O 3.5Å; S240-V266 PolarHBondContact OG-O 3.16Å; V266-V271 WeakPolarHBondContact CA-O 3.43Å; V266-L272 HydrophobicContact CG2-CD1 4.22Å; V266-L649 HydrophobicContact CG1-CD1 4.5Å; V266-K665 HydrophobicContact CB-CG 4.41Å; V266-K665 HydrophobicContact CG1-CG 4.14Å; V266-T669 HydrophobicContact CG2-CG2 4.25Å
267N93.2Very high94.9Very high14 Ų1426.3 Ų26.38%0.07513%0.126CC..  trans-70.3176.4-177.674.62.3000112.9F265 Q269 N270 V271F265-N267 HydrophobicContact CE2-CB 4.21Å; N267-Q269 VanDerWaalsContact CG-OE1 3.26Å; N267-Q269 PolarHBondContact ND2-OE1 2.96Å; N267-Q269 PolarHBondContact O-N 3.49Å; N267-Q269 VanDerWaalsContact O-N 3.09Å; N267-Q269 WeakPolarHBondContact OD1-CA 3.15Å; N267-Q269 PolarHBondContact OD1-N 3.49Å; N267-N270 PolarHBondContact O-N 3.18Å; N267-N270 PolarHBondContact OD1-N 3.45Å; N267-V271 PolarHBondContact N-O 2.87Å; N267-V271 WeakPolarHBondContact OD1-CB 3.42Å; N267-V271 PolarHBondContact OD1-N 3.28Å; N267-V271 PolarHBondContact OD1-O 3.16Å
268Q91.1Very high95.1Very high128 Ų12822.7 Ų22.760%0.59811%0.111SC*.THydrogen-bonded Turntrans-60.1-22.6-179.8-62.6-168.7-0.200114.2E239 N270E239-Q268 PolarHBondContact OE1-NE2 2.93Å; E239-Q268 PolarHBondContact OE2-NE2 3.13Å; Q268-N270 PolarHBondContact O-N 3.15Å
269Q91.5Very high95.2Very high116 Ų11621.7 Ų21.754%0.54211%0.106SC..THydrogen-bonded Turntrans-86.510.9176.3-62.276.229.700112.7N267 V271 Q650N267-Q269 VanDerWaalsContact CG-OE1 3.26Å; N267-Q269 PolarHBondContact ND2-OE1 2.96Å; N267-Q269 PolarHBondContact O-N 3.49Å; N267-Q269 VanDerWaalsContact O-N 3.09Å; N267-Q269 WeakPolarHBondContact OD1-CA 3.15Å; N267-Q269 PolarHBondContact OD1-N 3.49Å; Q269-V271 HydrophobicContact CB-CG2 4.25Å; Q269-V271 PolarHBondContact O-N 2.96Å; Q269-Q650 PolarHBondContact O-NE2 3.2Å
270N92.8Very high95.1Very high20 Ų2022 Ų2211%0.10711%0.107CC..SBendtrans58.732.4-177.4-67.4-19.1000113N267 Q268 H646 L649 Q650 K665N267-N270 PolarHBondContact O-N 3.18Å; N267-N270 PolarHBondContact OD1-N 3.45Å; Q268-N270 PolarHBondContact O-N 3.15Å; N270-H646 PolarHBondContact O-ND1 3Å; N270-H646 VanDerWaalsContact O-ND1 3.09Å; N270-L649 HydrophobicContact CB-CB 3.78Å; N270-L649 HydrophobicContact CB-CD1 4.42Å; N270-L649 PolarHBondContact ND2-O 3.17Å; N270-Q650 PolarHBondContact O-NE2 3.34Å; N270-K665 WeakPolarHBondContact OD1-CE 3.42Å; N270-K665 PolarHBondContact OD1-NZ 3.25Å
271V92.6Very high95Very high59 Ų5925.4 Ų25.436%0.35813%0.129SC..  trans-103.3127.3174.2-178.30000108.3V266 N267 Q269 R273V266-V271 WeakPolarHBondContact CA-O 3.43Å; N267-V271 PolarHBondContact N-O 2.87Å; N267-V271 WeakPolarHBondContact OD1-CB 3.42Å; N267-V271 PolarHBondContact OD1-N 3.28Å; N267-V271 PolarHBondContact OD1-O 3.16Å; Q269-V271 HydrophobicContact CB-CG2 4.25Å; Q269-V271 PolarHBondContact O-N 2.96Å; V271-R273 HydrophobicContact CG1-CG 4.49Å
272L94.3Very high94.7Very high24 Ų2425.9 Ų25.913%0.12613%0.132CC..EExtended strand (participates in β ladder)trans-70.9127.1171.7175.865.4000109.5R264 V266 S668 V675R264-L272 HydrophobicContact CG-CD1 3.82Å; V266-L272 HydrophobicContact CG2-CD1 4.22Å; L272-S668 WeakPolarHBondContact CD1-O 3.4Å; L272-V675 HydrophobicContact CD2-CB 4.48Å; L272-V675 HydrophobicContact CD2-CG2 4.17Å
273R93.5Very high94Very high45 Ų4530.9 Ų30.917%0.1716%0.162CC..EExtended strand (participates in β ladder)trans-124.2148177.1-63.3-178.566.8177.8-1.5110E236 R264 F265 V271 E275E236-R273 IonicContact OE1-CZ 2.72Å; E236-R273 IonicContact OE1-NH1 2.99Å; E236-R273 PolarHBondContact OE1-NH1 3.36Å; E236-R273 IonicContact OE2-CZ 2.69Å; E236-R273 IonicContact OE2-NH1 3.76Å; E236-R273 PolarHBondContact OE2-NH1 3.02Å; R264-R273 CarbonylContact C-O 3.57Å; R264-R273 VanDerWaalsContact CA-O 3.23Å; R264-R273 WeakPolarHBondContact CA-O 3.41Å; F265-R273 HydrophobicContact CE1-CB 4.28Å; F265-R273 HydrophobicContact CE2-CB 4.44Å; F265-R273 HydrophobicContact CZ-CB 4.16Å; F265-R273 PolarHBondContact N-O 3.1Å; F265-R273 PolarHBondContact O-N 2.81Å; V271-R273 HydrophobicContact CG1-CG 4.49Å; R273-E275 HydrophobicContact CB-CG 4.4Å; R273-E275 IonicContact CZ-OE1 3.82Å; R273-E275 IonicContact NE-OE1 2.61Å; R273-E275 PolarHBondContact NE-OE1 2.98Å; R273-E275 VanDerWaalsContact NE-OE1 3.13Å; R273-E275 IonicContact NH2-OE1 3.92Å; R273-E275 PolarHBondContact NH2-OE1 3.49Å
274E95.1Very high92.8Very high17 Ų1736.4 Ų36.48%0.07919%0.192CC..EExtended strand (participates in β ladder)trans-132.7109.1169.7-177.8177.297.500106.7F262 L263 R264 H345 V675 A683F262-E274 HydrophobicContact CB-CG 4.3Å; L263-E274 WeakPolarHBondContact O-CA 3.36Å; R264-E274 HydrophobicContact CB-CB 4.36Å; R264-E274 HydrophobicContact CB-CG 4.31Å; R264-E274 HydrophobicContact CG-CB 4.44Å; R264-E274 IonicContact NH1-OE2 3.79Å; E274-H345 IonicContact OE1-CD2 2.7Å; E274-V675 HydrophobicContact CB-CG2 4.03Å; E274-A683 WeakPolarHBondContact O-CB 3.39Å
275E95.1Very high91.6Very high13 Ų1338.6 Ų38.66%0.06122%0.215CC..EExtended strand (participates in β ladder)trans-120.4143.7-170.8-63-67.1-17600111.3M233 F262 L263 F265 R273 R686 H711M233-E275 HydrophobicContact SD-CB 3.83Å; M233-E275 HydrophobicContact SD-CG 4.34Å; F262-E275 CarbonylContact C-O 3.57Å; F262-E275 WeakPolarHBondContact CA-O 3Å; F262-E275 WeakPolarHBondContact CB-O 3.16Å; L263-E275 PolarHBondContact N-O 3.18Å; L263-E275 PolarHBondContact O-N 3.47Å; F265-E275 HydrophobicContact CE1-CG 4.3Å; R273-E275 HydrophobicContact CB-CG 4.4Å; R273-E275 IonicContact CZ-OE1 3.82Å; R273-E275 IonicContact NE-OE1 2.61Å; R273-E275 PolarHBondContact NE-OE1 2.98Å; R273-E275 VanDerWaalsContact NE-OE1 3.13Å; R273-E275 IonicContact NH2-OE1 3.92Å; R273-E275 PolarHBondContact NH2-OE1 3.49Å; E275-R686 IonicContact OE2-NH2 3.57Å; E275-R686 PolarHBondContact OE2-NH2 2.94Å; E275-H711 VanDerWaalsContact CD-NE2 3.27Å; E275-H711 IonicContact OE1-CD2 2.99Å; E275-H711 IonicContact OE1-NE2 3.54Å; E275-H711 PolarHBondContact OE1-NE2 3.31Å; E275-H711 IonicContact OE2-CE1 2.98Å; E275-H711 PolarHBondContact OE2-CE1 3.26Å; E275-H711 VanDerWaalsContact OE2-CE1 3.22Å; E275-H711 IonicContact OE2-NE2 2.69Å; E275-H711 PolarHBondContact OE2-NE2 3.07Å
276F96.9Very high91Very high0 Ų043.3 Ų43.30%024%0.24CC..EExtended strand (participates in β ladder)trans-80.1126.5176.5174.3-101.4000110.4M233 P260 F262 D278 F279 A683 M705 I708 N709M233-F276 WeakPolarHBondContact CE-O 3.3Å; P260-F276 HydrophobicContact CB-CD2 4.43Å; P260-F276 HydrophobicContact CB-CE2 3.91Å; F262-F276 HydrophobicContact CD1-CB 3.75Å; F262-F276 HydrophobicContact CD1-CD2 4.16Å; F262-F276 HydrophobicContact CD1-CG 4.49Å; F262-F276 HydrophobicContact CE1-CB 3.68Å; F262-F276 AromaticContact CE1-CD2 3.82Å; F262-F276 HydrophobicContact CE1-CD2 3.82Å; F262-F276 HydrophobicContact CE1-CG 4.21Å; F262-F276 HydrophobicContact CE2-CD2 4.37Å; F262-F276 AromaticContact CZ-CD2 3.93Å; F262-F276 HydrophobicContact CZ-CD2 3.93Å; F276-D278 VanDerWaalsContact CE2-O 3.22Å; F276-D278 WeakPolarHBondContact CE2-O 3.46Å; F276-D278 VanDerWaalsContact CZ-C 3.41Å; F276-D278 WeakPolarHBondContact CZ-O 3.27Å; F276-F279 HydrophobicContact CE1-CD2 4.19Å; F276-F279 AromaticContact CE1-CE2 3.76Å; F276-F279 HydrophobicContact CE1-CE2 3.76Å; F276-F279 HydrophobicContact CE1-CZ 4.17Å; F276-F279 HydrophobicContact CE2-CD1 4.29Å; F276-F279 HydrophobicContact CE2-CD2 4.45Å; F276-F279 HydrophobicContact CE2-CE1 4.08Å; F276-F279 HydrophobicContact CE2-CE2 4.24Å; F276-F279 HydrophobicContact CE2-CG 4.48Å; F276-F279 HydrophobicContact CE2-CZ 4.05Å; F276-F279 HydrophobicContact CZ-CD1 4.07Å; F276-F279 AromaticContact CZ-CD2 3.48Å; F276-F279 HydrophobicContact CZ-CD2 3.48Å; F276-F279 VanDerWaalsContact CZ-CD2 3.48Å; F276-F279 AromaticContact CZ-CE1 3.89Å; F276-F279 HydrophobicContact CZ-CE1 3.89Å; F276-F279 AromaticContact CZ-CE2 3.27Å; F276-F279 HydrophobicContact CZ-CE2 3.27Å; F276-F279 AromaticContact CZ-CG 3.89Å; F276-F279 HydrophobicContact CZ-CG 3.89Å; F276-F279 AromaticContact CZ-CZ 3.49Å; F276-F279 HydrophobicContact CZ-CZ 3.49Å; F276-F279 VanDerWaalsContact CZ-CZ 3.49Å; F276-A683 HydrophobicContact CB-CB 4.14Å; F276-M705 HydrophobicContact CD1-SD 3.88Å; F276-M705 HydrophobicContact CE1-SD 3.56Å; F276-M705 VanDerWaalsContact CE1-SD 3.56Å; F276-I708 HydrophobicContact CB-CG2 3.55Å; F276-I708 HydrophobicContact CD1-CB 4.02Å; F276-I708 HydrophobicContact CD1-CD1 3.77Å; F276-I708 HydrophobicContact CD1-CG2 3.81Å; F276-I708 HydrophobicContact CE1-CD1 3.86Å; F276-I708 HydrophobicContact CG-CD1 4.22Å; F276-I708 HydrophobicContact CG-CG2 3.84Å; F276-I708 HydrophobicContact CZ-CD1 4.38Å; F276-N709 PolarHBondContact O-ND2 3.08Å; F276-N709 PolarHBondContact O-OD1 2.97Å
277V96.6Very high90.8Very high1 Ų146.3 Ų46.31%0.00625%0.253CS..EExtended strand (participates in β ladder)trans-112.7-41.5-170.7-173.40000113R230 L234 V261 L263 W302 M705R230-V277 HydrophobicContact CG-CG1 3.72Å; R230-V277 PolarHBondContact NE-O 3.22Å; L234-V277 HydrophobicContact CD2-CG1 4.08Å; L234-V277 HydrophobicContact CG-CG1 4.46Å; V261-V277 PolarHBondContact O-N 3.1Å; L263-V277 HydrophobicContact CB-CG2 4.07Å; L263-V277 HydrophobicContact CD1-CG2 3.91Å; L263-V277 HydrophobicContact CG-CG2 3.75Å; V277-W302 HydrophobicContact CB-CH2 3.78Å; V277-W302 HydrophobicContact CB-CZ2 4.23Å; V277-W302 HydrophobicContact CB-CZ3 4.1Å; V277-W302 HydrophobicContact CG1-CD2 4.09Å; V277-W302 HydrophobicContact CG1-CE3 3.99Å; V277-W302 HydrophobicContact CG1-CH2 3.45Å; V277-W302 VanDerWaalsContact CG1-CH2 3.45Å; V277-W302 HydrophobicContact CG1-CZ2 3.51Å; V277-W302 HydrophobicContact CG1-CZ3 3.68Å; V277-M705 VanDerWaalsContact O-CE 3.31Å; V277-M705 WeakPolarHBondContact O-CE 3.46Å
278D96.2Very high90.8Very high1 Ų147.3 Ų47.31%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-168.3171.5178.8-149.6-21.5000112.3R230 V261 F276 R301 W302 K701R230-D278 IonicContact CZ-OD2 3.65Å; R230-D278 IonicContact NE-OD2 3.99Å; R230-D278 PolarHBondContact NE-OD2 2.95Å; R230-D278 IonicContact NH2-OD1 2.69Å; R230-D278 IonicContact NH2-OD2 3.29Å; R230-D278 PolarHBondContact NH2-OD2 3.41Å; V261-D278 PolarHBondContact N-O 2.86Å; F276-D278 VanDerWaalsContact CE2-O 3.22Å; F276-D278 WeakPolarHBondContact CE2-O 3.46Å; F276-D278 VanDerWaalsContact CZ-C 3.41Å; F276-D278 WeakPolarHBondContact CZ-O 3.27Å; D278-R301 IonicContact OD2-CZ 2.66Å; D278-R301 IonicContact OD2-NH1 3.47Å; D278-R301 PolarHBondContact OD2-NH1 2.95Å; D278-W302 HydrophobicContact CB-CH2 4.17Å; D278-W302 HydrophobicContact CB-CZ2 3.6Å; D278-K701 WeakPolarHBondContact OD1-CE 3.47Å; D278-K701 IonicContact OD1-NZ 3.5Å; D278-K701 PolarHBondContact OD1-NZ 3.04Å
279F95.6Very high90.9Very high1 Ų143.3 Ų43.30%0.00425%0.252CS..EExtended strand (participates in β ladder)trans-102.6113.4166.5-66.3-79.1000109.7V251 F253 H258 P260 F276 L687 K701 A704 I708V251-F279 HydrophobicContact CB-CE1 4.38Å; V251-F279 HydrophobicContact CG2-CE1 4.3Å; F253-F279 AromaticContact CE2-CD1 3.67Å; F253-F279 HydrophobicContact CE2-CD1 3.67Å; F253-F279 HydrophobicContact CE2-CD2 4.15Å; F253-F279 AromaticContact CE2-CE1 3.76Å; F253-F279 HydrophobicContact CE2-CE1 3.76Å; F253-F279 HydrophobicContact CE2-CE2 4.22Å; F253-F279 AromaticContact CE2-CG 3.87Å; F253-F279 HydrophobicContact CE2-CG 3.87Å; F253-F279 HydrophobicContact CE2-CZ 4.04Å; F253-F279 HydrophobicContact CZ-CD1 4.15Å; F253-F279 HydrophobicContact CZ-CD2 4.19Å; F253-F279 AromaticContact CZ-CE1 3.8Å; F253-F279 HydrophobicContact CZ-CE1 3.8Å; F253-F279 AromaticContact CZ-CE2 3.84Å; F253-F279 HydrophobicContact CZ-CE2 3.84Å; F253-F279 HydrophobicContact CZ-CG 4.32Å; F253-F279 AromaticContact CZ-CZ 3.64Å; F253-F279 HydrophobicContact CZ-CZ 3.64Å; H258-F279 HydrophobicContact CB-CB 3.97Å; H258-F279 HydrophobicContact CB-CD1 4.35Å; P260-F279 HydrophobicContact CB-CD1 4.25Å; P260-F279 HydrophobicContact CB-CE1 4.15Å; P260-F279 HydrophobicContact CG-CD1 4.13Å; P260-F279 HydrophobicContact CG-CE1 3.98Å; F276-F279 HydrophobicContact CE1-CD2 4.19Å; F276-F279 AromaticContact CE1-CE2 3.76Å; F276-F279 HydrophobicContact CE1-CE2 3.76Å; F276-F279 HydrophobicContact CE1-CZ 4.17Å; F276-F279 HydrophobicContact CE2-CD1 4.29Å; F276-F279 HydrophobicContact CE2-CD2 4.45Å; F276-F279 HydrophobicContact CE2-CE1 4.08Å; F276-F279 HydrophobicContact CE2-CE2 4.24Å; F276-F279 HydrophobicContact CE2-CG 4.48Å; F276-F279 HydrophobicContact CE2-CZ 4.05Å; F276-F279 HydrophobicContact CZ-CD1 4.07Å; F276-F279 AromaticContact CZ-CD2 3.48Å; F276-F279 HydrophobicContact CZ-CD2 3.48Å; F276-F279 VanDerWaalsContact CZ-CD2 3.48Å; F276-F279 AromaticContact CZ-CE1 3.89Å; F276-F279 HydrophobicContact CZ-CE1 3.89Å; F276-F279 AromaticContact CZ-CE2 3.27Å; F276-F279 HydrophobicContact CZ-CE2 3.27Å; F276-F279 AromaticContact CZ-CG 3.89Å; F276-F279 HydrophobicContact CZ-CG 3.89Å; F276-F279 AromaticContact CZ-CZ 3.49Å; F276-F279 HydrophobicContact CZ-CZ 3.49Å; F276-F279 VanDerWaalsContact CZ-CZ 3.49Å; F279-L687 HydrophobicContact CE1-CD1 4.04Å; F279-L687 HydrophobicContact CZ-CD1 3.81Å; F279-K701 HydrophobicContact CB-CD 4.04Å; F279-K701 HydrophobicContact CB-CG 4.18Å; F279-K701 HydrophobicContact CD2-CD 4.29Å; F279-K701 HydrophobicContact CD2-CG 3.54Å; F279-K701 HydrophobicContact CE2-CG 4.32Å; F279-K701 HydrophobicContact CG-CG 4.21Å; F279-K701 PolarHBondContact O-NZ 3.18Å; F279-A704 HydrophobicContact CE2-CB 3.71Å; F279-A704 HydrophobicContact CZ-CB 4.03Å; F279-I708 HydrophobicContact CZ-CD1 4.22Å
280L94.9Very high91Very high10 Ų1038.3 Ų38.35%0.05223%0.229CC..EExtended strand (participates in β ladder)trans-81.4127.8173.5178.871000109.4H258 L259 V261 F282 L290 L294 L297H258-L280 CarbonylContact C-O 3.57Å; H258-L280 VanDerWaalsContact CA-O 3.32Å; H258-L280 WeakPolarHBondContact CA-O 3.38Å; L259-L280 HydrophobicContact CB-CB 4.38Å; L259-L280 HydrophobicContact CD2-CD2 4.48Å; L259-L280 PolarHBondContact N-O 3.43Å; L259-L280 PolarHBondContact O-N 3.4Å; V261-L280 HydrophobicContact CG2-CB 3.88Å; L280-F282 PolarHBondContact O-N 3.16Å; L280-L290 HydrophobicContact CD2-CD1 3.69Å; L280-L290 HydrophobicContact CG-CD1 4.45Å; L280-L294 HydrophobicContact CD2-CB 4.09Å; L280-L294 HydrophobicContact CD2-CD1 3.99Å; L280-L297 HydrophobicContact CB-CD2 4.27Å; L280-L297 HydrophobicContact CD1-CB 4.45Å; L280-L297 HydrophobicContact CD1-CD2 3.9Å
281P93Very high91.1Very high72 Ų7237.9 Ų37.947%0.46823%0.227SC..EExtended strand (participates in β ladder)trans-55.6127.7173.8-26.336000111.4
282F91.3Very high91.2Very high11 Ų1141.2 Ų41.25%0.04824%0.239CC..  trans-105.593.7179.3-168.6-88.5000109.2L250 K257 L259 L280 L290 K323 M324L250-F282 HydrophobicContact CD1-CD1 3.67Å; L250-F282 HydrophobicContact CD1-CE1 3.7Å; L250-F282 HydrophobicContact CD1-CG 4.13Å; L250-F282 HydrophobicContact CD1-CZ 4.17Å; L250-F282 HydrophobicContact CD2-CB 3.7Å; L250-F282 HydrophobicContact CD2-CD1 3.87Å; L250-F282 HydrophobicContact CD2-CD2 3.55Å; L250-F282 HydrophobicContact CD2-CE1 4.36Å; L250-F282 HydrophobicContact CD2-CE2 4.05Å; L250-F282 HydrophobicContact CD2-CG 3.42Å; L250-F282 VanDerWaalsContact CD2-CG 3.42Å; L250-F282 HydrophobicContact CD2-CZ 4.42Å; L250-F282 HydrophobicContact CG-CD1 4.46Å; L250-F282 HydrophobicContact CG-CG 4.45Å; K257-F282 HydrophobicContact CB-CB 4.22Å; K257-F282 PolarHBondContact O-N 2.9Å; L259-F282 HydrophobicContact CB-CD2 4.26Å; L280-F282 PolarHBondContact O-N 3.16Å; F282-L290 HydrophobicContact CD2-CD1 4.4Å; F282-L290 HydrophobicContact CD2-CD2 3.76Å; F282-L290 HydrophobicContact CE2-CD2 3.43Å; F282-L290 VanDerWaalsContact CE2-CD2 3.43Å; F282-L290 HydrophobicContact CZ-CD2 4.38Å; F282-K323 HydrophobicContact CE1-CD 4.3Å; F282-K323 HydrophobicContact CE2-CD 4.4Å; F282-K323 HydrophobicContact CZ-CD 3.7Å; F282-K323 HydrophobicContact CZ-CG 4.13Å; F282-M324 HydrophobicContact CE2-SD 3.88Å
283V83Confident91.2Very high107 Ų10742.8 Ų42.865%0.64825%0.252SS*.  trans-89.2130.7178.6-173.30000109.4G285 K323V283-G285 PolarHBondContact O-N 3.36Å; V283-G285 VanDerWaalsContact O-N 3.15Å; V283-K323 PolarHBondContact O-NZ 3.2Å
284D72.6Confident91.3Very high115 Ų11540.9 Ų40.962%0.61525%0.245SC*.SBendtrans-66.8109.4170.9-69.1-36.6000107.7K257K257-D284 IonicContact NZ-OD1 2.68Å; K257-D284 IonicContact NZ-OD2 3.94Å; K257-D284 PolarHBondContact NZ-OD2 3.15Å
285G71.7Confident91.3Very high47 Ų4741.1 Ų41.149%0.48525%0.246SC..SBendtrans175-171.4-164.300000111.5V283 K323V283-G285 PolarHBondContact O-N 3.36Å; V283-G285 VanDerWaalsContact O-N 3.15Å; G285-K323 PolarHBondContact O-NZ 3.21Å
286D84Confident91.4Very high100 Ų10042.4 Ų42.454%0.53526%0.259SS..  trans-56.7135-178.5-171.3-8.7000112.5A288 A289 L290D286-A288 PolarHBondContact O-N 3.45Å; D286-A288 PolarHBondContact OD1-N 3.44Å; D286-A289 HydrophobicContact CB-CB 4.32Å; D286-A289 PolarHBondContact O-N 3.28Å; D286-L290 PolarHBondContact O-N 2.96Å
287E92.1Very high91.3Very high71 Ų7143.2 Ų43.233%0.33226%0.264SS..Hα-helixtrans-53.9-40.3171.7-6769-159.600111.8A289 L290 V291 K323 A326 L330E287-A289 VanDerWaalsContact C-N 3.34Å; E287-A289 PolarHBondContact O-N 2.76Å; E287-L290 PolarHBondContact O-N 3.38Å; E287-V291 PolarHBondContact O-N 2.84Å; E287-V291 VanDerWaalsContact O-N 3.15Å; E287-K323 HydrophobicContact CG-CG 4.24Å; E287-A326 HydrophobicContact CB-CB 4.39Å; E287-A326 HydrophobicContact CG-CB 3.64Å; E287-L330 HydrophobicContact CB-CD1 3.95Å
288A92.8Very high91.3Very high35 Ų3543.2 Ų43.229%0.28926%0.263SS..Hα-helixtrans-63.6-39.4-179.800000112D286 L290 V291 E292D286-A288 PolarHBondContact O-N 3.45Å; D286-A288 PolarHBondContact OD1-N 3.44Å; A288-L290 VanDerWaalsContact C-N 3.27Å; A288-L290 PolarHBondContact O-N 3.41Å; A288-V291 WeakPolarHBondContact O-CB 3.42Å; A288-V291 PolarHBondContact O-N 3.33Å; A288-V291 VanDerWaalsContact O-N 3.16Å; A288-E292 WeakPolarHBondContact O-CG 3.1Å; A288-E292 PolarHBondContact O-N 2.97Å
289A92.6Very high91.3Very high44 Ų4446 Ų4636%0.36428%0.28SS..Hα-helixtrans-65.1-32.3177.600000112.4D286 E287 S293D286-A289 HydrophobicContact CB-CB 4.32Å; D286-A289 PolarHBondContact O-N 3.28Å; E287-A289 VanDerWaalsContact C-N 3.34Å; E287-A289 PolarHBondContact O-N 2.76Å; A289-S293 WeakPolarHBondContact O-CB 3.14Å; A289-S293 PolarHBondContact O-N 3.4Å; A289-S293 PolarHBondContact O-OG 2.96Å
290L93.8Very high91.3Very high11 Ų1152.3 Ų52.36%0.05831%0.314CS..Hα-helixtrans-70.8-38.7174.5-176.257.9000111.3L280 F282 D286 E287 A288 S293 L294 M324 V327L280-L290 HydrophobicContact CD2-CD1 3.69Å; L280-L290 HydrophobicContact CG-CD1 4.45Å; F282-L290 HydrophobicContact CD2-CD1 4.4Å; F282-L290 HydrophobicContact CD2-CD2 3.76Å; F282-L290 HydrophobicContact CE2-CD2 3.43Å; F282-L290 VanDerWaalsContact CE2-CD2 3.43Å; F282-L290 HydrophobicContact CZ-CD2 4.38Å; D286-L290 PolarHBondContact O-N 2.96Å; E287-L290 PolarHBondContact O-N 3.38Å; A288-L290 VanDerWaalsContact C-N 3.27Å; A288-L290 PolarHBondContact O-N 3.41Å; L290-S293 PolarHBondContact O-N 2.88Å; L290-L294 VanDerWaalsContact O-CB 3.31Å; L290-L294 WeakPolarHBondContact O-CB 3.48Å; L290-L294 PolarHBondContact O-N 3.02Å; L290-M324 HydrophobicContact CD2-SD 4.07Å; L290-V327 HydrophobicContact CB-CG2 4.33Å; L290-V327 HydrophobicContact CD2-CG2 3.91Å; L290-V327 HydrophobicContact CG-CG2 4.28Å
291V95.7Very high91.2Very high11 Ų1157.5 Ų57.57%0.06733%0.333CS..Hα-helixtrans-60.7-49172.1174.60000110.5E287 A288 S293 L294 E295 V327 L330 L331E287-V291 PolarHBondContact O-N 2.84Å; E287-V291 VanDerWaalsContact O-N 3.15Å; A288-V291 WeakPolarHBondContact O-CB 3.42Å; A288-V291 PolarHBondContact O-N 3.33Å; A288-V291 VanDerWaalsContact O-N 3.16Å; V291-S293 VanDerWaalsContact C-N 3.32Å; V291-S293 PolarHBondContact O-N 3.33Å; V291-L294 WeakPolarHBondContact O-CB 3.44Å; V291-L294 PolarHBondContact O-N 2.84Å; V291-E295 HydrophobicContact CG1-CG 4.4Å; V291-E295 WeakPolarHBondContact O-CG 3.49Å; V291-E295 PolarHBondContact O-N 3.07Å; V291-V327 HydrophobicContact CG2-CB 4.38Å; V291-V327 HydrophobicContact CG2-CG1 4.02Å; V291-V327 HydrophobicContact CG2-CG2 4.32Å; V291-L330 HydrophobicContact CG2-CB 3.96Å; V291-L330 HydrophobicContact CG2-CD1 4.1Å; V291-L331 HydrophobicContact CG1-CD2 3.89Å; V291-L331 HydrophobicContact CG1-CG 4.35Å; V291-L331 HydrophobicContact CG2-CG 4.41Å
292E94.8Very high91.3Very high129 Ų12954.3 Ų54.360%0.60331%0.312SS*.Hα-helixtrans-59.9-41.8177.6-71.8178.1176.400112.2A288 E295 A296A288-E292 WeakPolarHBondContact O-CG 3.1Å; A288-E292 PolarHBondContact O-N 2.97Å; E292-E295 PolarHBondContact O-N 3.44Å; E292-A296 WeakPolarHBondContact O-CB 3.42Å; E292-A296 PolarHBondContact O-N 3.25Å
293S94.6Very high91.5Very high58 Ų5856.1 Ų56.141%0.40633%0.334SS..Hα-helixtrans-65.1-40178.1-60.50000112.1A289 L290 V291 L297A289-S293 WeakPolarHBondContact O-CB 3.14Å; A289-S293 PolarHBondContact O-N 3.4Å; A289-S293 PolarHBondContact O-OG 2.96Å; L290-S293 PolarHBondContact O-N 2.88Å; V291-S293 VanDerWaalsContact C-N 3.32Å; V291-S293 PolarHBondContact O-N 3.33Å; S293-L297 WeakPolarHBondContact O-CB 3.25Å; S293-L297 PolarHBondContact O-N 3.23Å
294L95.3Very high92.2Very high5 Ų551.5 Ų51.53%0.02631%0.305CS..Hα-helixtrans-66.6-42175.8-179.977.7000111.2L245 L280 L290 V291 L297 L298 L331L245-L294 HydrophobicContact CD1-CD1 4.23Å; L245-L294 HydrophobicContact CD2-CD1 3.96Å; L245-L294 HydrophobicContact CD2-CD2 3.41Å; L245-L294 VanDerWaalsContact CD2-CD2 3.41Å; L245-L294 HydrophobicContact CD2-CG 4.12Å; L280-L294 HydrophobicContact CD2-CB 4.09Å; L280-L294 HydrophobicContact CD2-CD1 3.99Å; L290-L294 VanDerWaalsContact O-CB 3.31Å; L290-L294 WeakPolarHBondContact O-CB 3.48Å; L290-L294 PolarHBondContact O-N 3.02Å; V291-L294 WeakPolarHBondContact O-CB 3.44Å; V291-L294 PolarHBondContact O-N 2.84Å; L294-L297 WeakPolarHBondContact O-CB 3.27Å; L294-L297 PolarHBondContact O-N 3.05Å; L294-L298 HydrophobicContact CD1-CD1 4.29Å; L294-L298 HydrophobicContact CG-CD1 3.93Å; L294-L298 WeakPolarHBondContact O-CB 3.48Å; L294-L298 VanDerWaalsContact O-CG 3.31Å; L294-L298 WeakPolarHBondContact O-CG 3.47Å; L294-L298 PolarHBondContact O-N 3.18Å; L294-L331 HydrophobicContact CD2-CD1 3.72Å; L294-L331 HydrophobicContact CD2-CD2 4.29Å
295E95.6Very high93.3Very high21 Ų2148.3 Ų48.310%0.09829%0.292CS..Hα-helixtrans-64.8-45.7175.7-72.5-174.2133.200112.2V291 E292 L297 L298 V299 M306 K334 Y335V291-E295 HydrophobicContact CG1-CG 4.4Å; V291-E295 WeakPolarHBondContact O-CG 3.49Å; V291-E295 PolarHBondContact O-N 3.07Å; E292-E295 PolarHBondContact O-N 3.44Å; E295-L297 PolarHBondContact O-N 2.98Å; E295-L298 PolarHBondContact O-N 3.18Å; E295-V299 VanDerWaalsContact O-CB 3.29Å; E295-V299 WeakPolarHBondContact O-CB 3.34Å; E295-V299 WeakPolarHBondContact O-CG2 3.18Å; E295-V299 PolarHBondContact O-N 3Å; E295-M306 HydrophobicContact CG-CG 4.43Å; E295-K334 VanDerWaalsContact OE1-CD 3.24Å; E295-K334 WeakPolarHBondContact OE1-CD 3.44Å; E295-K334 WeakPolarHBondContact OE1-CE 3.42Å; E295-K334 IonicContact OE1-NZ 2.73Å; E295-K334 PolarHBondContact OE1-NZ 3.46Å; E295-K334 IonicContact OE2-NZ 3.4Å; E295-K334 PolarHBondContact OE2-NZ 3.24Å; E295-Y335 WeakPolarHBondContact OE1-CE2 3.35Å; E295-Y335 PolarHBondContact OE1-OH 3.4Å
296A95.8Very high94.5Very high41 Ų4146.4 Ų46.434%0.33927%0.271SS..Iπ-helixtrans-60.1-38175.500000111.1E292 D300 R301E292-A296 WeakPolarHBondContact O-CB 3.42Å; E292-A296 PolarHBondContact O-N 3.25Å; A296-D300 WeakPolarHBondContact O-CA 3.38Å; A296-D300 VanDerWaalsContact O-CB 3.29Å; A296-D300 WeakPolarHBondContact O-CB 3.43Å; A296-D300 PolarHBondContact O-N 3.24Å; A296-R301 PolarHBondContact O-N 3.14Å; A296-R301 VanDerWaalsContact O-N 3.08Å
297L95.3Very high95.1Very high17 Ų1747.6 Ų47.69%0.08927%0.273CS..Iπ-helixtrans-63.6-50.6174.6-176.565.5000111.7L280 S293 L294 E295 R301 W302L280-L297 HydrophobicContact CB-CD2 4.27Å; L280-L297 HydrophobicContact CD1-CB 4.45Å; L280-L297 HydrophobicContact CD1-CD2 3.9Å; S293-L297 WeakPolarHBondContact O-CB 3.25Å; S293-L297 PolarHBondContact O-N 3.23Å; L294-L297 WeakPolarHBondContact O-CB 3.27Å; L294-L297 PolarHBondContact O-N 3.05Å; E295-L297 PolarHBondContact O-N 2.98Å; L297-R301 HydrophobicContact CD1-CB 4.4Å; L297-R301 WeakPolarHBondContact O-CB 3.18Å; L297-W302 HydrophobicContact CD1-CH2 4.44Å; L297-W302 HydrophobicContact CD1-CZ2 3.57Å; L297-W302 HydrophobicContact CD2-CH2 3.61Å; L297-W302 HydrophobicContact CD2-CZ2 3.53Å; L297-W302 HydrophobicContact CD2-CZ3 4.43Å; L297-W302 HydrophobicContact CG-CD2 4.26Å; L297-W302 HydrophobicContact CG-CH2 3.82Å; L297-W302 HydrophobicContact CG-CZ2 3.43Å; L297-W302 VanDerWaalsContact CG-CZ2 3.43Å; L297-W302 HydrophobicContact CG-CZ3 4.39Å; L297-W302 VanDerWaalsContact O-CG 3.29Å; L297-W302 PolarHBondContact O-N 3.26Å; L297-W302 VanDerWaalsContact O-N 3.08Å
298L96.4Very high95.3Very high0 Ų045.7 Ų45.70%027%0.265CS..Iπ-helixtrans-69.4-44.7-176.9-69.7166.3000112.2Y243 L263 L294 E295 W302 G303 L304 M306Y243-L298 HydrophobicContact CE2-CD2 4.39Å; L263-L298 HydrophobicContact CD2-CD2 3.97Å; L294-L298 HydrophobicContact CD1-CD1 4.29Å; L294-L298 HydrophobicContact CG-CD1 3.93Å; L294-L298 WeakPolarHBondContact O-CB 3.48Å; L294-L298 VanDerWaalsContact O-CG 3.31Å; L294-L298 WeakPolarHBondContact O-CG 3.47Å; L294-L298 PolarHBondContact O-N 3.18Å; E295-L298 PolarHBondContact O-N 3.18Å; L298-W302 HydrophobicContact CD2-CE3 3.62Å; L298-W302 HydrophobicContact CD2-CZ3 3.58Å; L298-W302 CarbonylContact O-C 3.45Å; L298-W302 WeakPolarHBondContact O-CB 2.97Å; L298-G303 PolarHBondContact O-N 2.97Å; L298-L304 HydrophobicContact CD2-CD1 4.12Å; L298-L304 WeakPolarHBondContact O-CB 3.18Å; L298-L304 PolarHBondContact O-N 2.79Å; L298-M306 HydrophobicContact CB-SD 4.18Å; L298-M306 HydrophobicContact CD1-CE 4.32Å; L298-M306 HydrophobicContact CD1-SD 3.38Å; L298-M306 WeakPolarHBondContact CD1-SD 3.35Å; L298-M306 HydrophobicContact CG-SD 4.38Å
299V96.3Very high95.5Very high59 Ų5944.1 Ų44.136%0.35825%0.252SS..Iπ-helixtrans-88.2-59.6-172.8-177.60000111.3E295 G303 L304 M306E295-V299 VanDerWaalsContact O-CB 3.29Å; E295-V299 WeakPolarHBondContact O-CB 3.34Å; E295-V299 WeakPolarHBondContact O-CG2 3.18Å; E295-V299 PolarHBondContact O-N 3Å; V299-G303 WeakPolarHBondContact O-CA 3.08Å; V299-G303 PolarHBondContact O-N 2.77Å; V299-L304 WeakPolarHBondContact CA-O 3.29Å; V299-M306 HydrophobicContact CG2-CG 3.95Å
300D95.2Very high95.7Very high134 Ų13442.4 Ų42.472%0.71724%0.236SC*.Iπ-helixtrans-76.4-41-169.8-56.5-34.9000111.5A296A296-D300 WeakPolarHBondContact O-CA 3.38Å; A296-D300 VanDerWaalsContact O-CB 3.29Å; A296-D300 WeakPolarHBondContact O-CB 3.43Å; A296-D300 PolarHBondContact O-N 3.24Å
301R93.7Very high95.9Very high120 Ų12041.9 Ų41.945%0.45323%0.233SC..Iπ-helixtrans-87.2-39.2-177.3-157-175.6-178.2-149.6-1.8112.8D278 A296 L297D278-R301 IonicContact OD2-CZ 2.66Å; D278-R301 IonicContact OD2-NH1 3.47Å; D278-R301 PolarHBondContact OD2-NH1 2.95Å; A296-R301 PolarHBondContact O-N 3.14Å; A296-R301 VanDerWaalsContact O-N 3.08Å; L297-R301 HydrophobicContact CD1-CB 4.4Å; L297-R301 WeakPolarHBondContact O-CB 3.18Å
302W95.6Very high95.9Very high4 Ų441.4 Ų41.42%0.01523%0.231CC..THydrogen-bonded Turntrans-103-7.1-175.9-58.7-11.8000114L234 R238 V261 L263 V277 D278 L297 L298 L304L234-W302 HydrophobicContact CD1-CB 3.69Å; L234-W302 HydrophobicContact CD1-CD2 4.21Å; L234-W302 HydrophobicContact CD1-CG 3.55Å; L234-W302 HydrophobicContact CD2-CB 3.89Å; L234-W302 HydrophobicContact CD2-CD2 4Å; L234-W302 HydrophobicContact CD2-CE3 3.98Å; L234-W302 HydrophobicContact CD2-CG 3.95Å; L234-W302 HydrophobicContact CG-CB 4.44Å; L234-W302 HydrophobicContact CG-CG 4.41Å; R238-W302 PolarHBondContact NE-O 3.12Å; R238-W302 PolarHBondContact NH2-O 2.85Å; V261-W302 HydrophobicContact CB-CH2 4.31Å; V261-W302 HydrophobicContact CG1-CH2 3.81Å; V261-W302 HydrophobicContact CG1-CZ3 4.06Å; L263-W302 HydrophobicContact CD1-CE3 4.08Å; L263-W302 HydrophobicContact CD1-CZ3 4.07Å; L263-W302 HydrophobicContact CD2-CZ3 4.46Å; L263-W302 HydrophobicContact CG-CZ3 4.35Å; V277-W302 HydrophobicContact CB-CH2 3.78Å; V277-W302 HydrophobicContact CB-CZ2 4.23Å; V277-W302 HydrophobicContact CB-CZ3 4.1Å; V277-W302 HydrophobicContact CG1-CD2 4.09Å; V277-W302 HydrophobicContact CG1-CE3 3.99Å; V277-W302 HydrophobicContact CG1-CH2 3.45Å; V277-W302 VanDerWaalsContact CG1-CH2 3.45Å; V277-W302 HydrophobicContact CG1-CZ2 3.51Å; V277-W302 HydrophobicContact CG1-CZ3 3.68Å; D278-W302 HydrophobicContact CB-CH2 4.17Å; D278-W302 HydrophobicContact CB-CZ2 3.6Å; L297-W302 HydrophobicContact CD1-CH2 4.44Å; L297-W302 HydrophobicContact CD1-CZ2 3.57Å; L297-W302 HydrophobicContact CD2-CH2 3.61Å; L297-W302 HydrophobicContact CD2-CZ2 3.53Å; L297-W302 HydrophobicContact CD2-CZ3 4.43Å; L297-W302 HydrophobicContact CG-CD2 4.26Å; L297-W302 HydrophobicContact CG-CH2 3.82Å; L297-W302 HydrophobicContact CG-CZ2 3.43Å; L297-W302 VanDerWaalsContact CG-CZ2 3.43Å; L297-W302 HydrophobicContact CG-CZ3 4.39Å; L297-W302 VanDerWaalsContact O-CG 3.29Å; L297-W302 PolarHBondContact O-N 3.26Å; L297-W302 VanDerWaalsContact O-N 3.08Å; L298-W302 HydrophobicContact CD2-CE3 3.62Å; L298-W302 HydrophobicContact CD2-CZ3 3.58Å; L298-W302 CarbonylContact O-C 3.45Å; L298-W302 WeakPolarHBondContact O-CB 2.97Å; W302-L304 HydrophobicContact CB-CD1 4.41Å; W302-L304 HydrophobicContact CB-CG 4.11Å; W302-L304 HydrophobicContact CE3-CD1 4.22Å; W302-L304 PolarHBondContact O-N 2.96Å
303G95.8Very high96Very high50 Ų5035.3 Ų35.352%0.51520%0.202SC..  trans62.926.9177.500000113.4L298 V299L298-G303 PolarHBondContact O-N 2.97Å; V299-G303 WeakPolarHBondContact O-CA 3.08Å; V299-G303 PolarHBondContact O-N 2.77Å
304L97.3Very high96Very high10 Ų1033 Ų335%0.05219%0.185CC..  trans-90.4153.2173.5-56.6-178.6000110L234 V237 R238 Y243 L263 L298 V299 W302L234-L304 HydrophobicContact CD2-CD1 4.19Å; V237-L304 HydrophobicContact CB-CD2 4.33Å; V237-L304 HydrophobicContact CG1-CD1 4.13Å; V237-L304 HydrophobicContact CG1-CD2 3.81Å; R238-L304 HydrophobicContact CG-CD2 3.56Å; Y243-L304 HydrophobicContact CE1-CB 4.13Å; Y243-L304 HydrophobicContact CE1-CD1 4.37Å; Y243-L304 HydrophobicContact CE2-CD1 4.42Å; L263-L304 HydrophobicContact CD1-CD1 3.53Å; L298-L304 HydrophobicContact CD2-CD1 4.12Å; L298-L304 WeakPolarHBondContact O-CB 3.18Å; L298-L304 PolarHBondContact O-N 2.79Å; V299-L304 WeakPolarHBondContact CA-O 3.29Å; W302-L304 HydrophobicContact CB-CD1 4.41Å; W302-L304 HydrophobicContact CB-CG 4.11Å; W302-L304 HydrophobicContact CE3-CD1 4.22Å; W302-L304 PolarHBondContact O-N 2.96Å
305S96.3Very high95.8Very high48 Ų4834.6 Ų34.634%0.33619%0.191SC..  trans-95.7129.7172.2-176.30000109.8Y243 E307 D308Y243-S305 VanDerWaalsContact CE1-O 3.27Å; Y243-S305 WeakPolarHBondContact CE1-O 3.35Å; Y243-S305 PolarHBondContact OH-O 3.04Å; S305-E307 PolarHBondContact O-N 2.83Å; S305-E307 WeakPolarHBondContact OG-CB 3.47Å; S305-E307 PolarHBondContact OG-N 3.22Å; S305-D308 WeakPolarHBondContact CB-OD2 3.41Å; S305-D308 PolarHBondContact O-N 2.93Å
306M96.6Very high95.5Very high7 Ų734 Ų343%0.03419%0.19CC..G310 helixtrans-66.8-24.9169.5-72.6-59.8-66.600112E295 L298 V299 D308 C309 L331 Y335E295-M306 HydrophobicContact CG-CG 4.43Å; L298-M306 HydrophobicContact CB-SD 4.18Å; L298-M306 HydrophobicContact CD1-CE 4.32Å; L298-M306 HydrophobicContact CD1-SD 3.38Å; L298-M306 WeakPolarHBondContact CD1-SD 3.35Å; L298-M306 HydrophobicContact CG-SD 4.38Å; V299-M306 HydrophobicContact CG2-CG 3.95Å; M306-D308 PolarHBondContact O-N 3.37Å; M306-C309 VanDerWaalsContact O-CB 3.23Å; M306-C309 WeakPolarHBondContact O-CB 3.44Å; M306-C309 PolarHBondContact O-N 3.39Å; M306-L331 HydrophobicContact CE-CD2 3.85Å; M306-Y335 HydrophobicContact CB-CD1 3.83Å; M306-Y335 HydrophobicContact CB-CD2 4.06Å; M306-Y335 HydrophobicContact CB-CE1 3.37Å; M306-Y335 HydrophobicContact CB-CE2 3.61Å; M306-Y335 HydrophobicContact CB-CG 4.15Å; M306-Y335 HydrophobicContact CE-CD2 3.67Å; M306-Y335 HydrophobicContact CE-CE2 3.66Å; M306-Y335 HydrophobicContact CE-CG 4.48Å; M306-Y335 HydrophobicContact CG-CE1 4.38Å; M306-Y335 HydrophobicContact CG-CE2 3.87Å
307E95.2Very high95Very high124 Ų12433.5 Ų33.558%0.57918%0.183SC*.G310 helixtrans-66.9-15.7174.1-61.8-65163.600113.1S305 R310S305-E307 PolarHBondContact O-N 2.83Å; S305-E307 WeakPolarHBondContact OG-CB 3.47Å; S305-E307 PolarHBondContact OG-N 3.22Å; E307-R310 PolarHBondContact O-NH1 2.98Å; E307-R310 PolarHBondContact O-NH2 3.24Å
308D96.8Very high94.5Very high31 Ų3133.6 Ų33.617%0.16619%0.188CC..G310 helixtrans-98.50.3173.5-64.9-55.1000112.5R241 F242 Y243 S305 M306 R310R241-D308 HydrophobicContact CG-CB 4.32Å; R241-D308 WeakPolarHBondContact CG-OD1 3.47Å; R241-D308 IonicContact CZ-OD1 2.64Å; R241-D308 IonicContact NE-OD1 3.25Å; R241-D308 PolarHBondContact NE-OD1 3.35Å; R241-D308 IonicContact NH2-OD1 3.51Å; R241-D308 VanDerWaalsContact O-CB 3.24Å; R241-D308 WeakPolarHBondContact O-CB 3.4Å; F242-D308 WeakPolarHBondContact CA-O 2.99Å; F242-D308 HydrophobicContact CD1-CB 4.14Å; Y243-D308 HydrophobicContact CE1-CB 4.41Å; Y243-D308 PolarHBondContact N-O 3.4Å; S305-D308 WeakPolarHBondContact CB-OD2 3.41Å; S305-D308 PolarHBondContact O-N 2.93Å; M306-D308 PolarHBondContact O-N 3.37Å; D308-R310 PolarHBondContact O-N 3.49Å
309C97.8Very high93.7Very high3 Ų340 Ų402%0.0223%0.227CC..EExtended strand (participates in β ladder)trans-74.1123.7173.1-170.90000110.3Y243 M306 G311 A338Y243-C309 HydrophobicContact CE1-CB 4.47Å; Y243-C309 HydrophobicContact CE2-CB 4.05Å; Y243-C309 CarbonylContact O-C 3.51Å; Y243-C309 VanDerWaalsContact O-CA 3.31Å; Y243-C309 WeakPolarHBondContact O-CA 3.4Å; M306-C309 VanDerWaalsContact O-CB 3.23Å; M306-C309 WeakPolarHBondContact O-CB 3.44Å; M306-C309 PolarHBondContact O-N 3.39Å; C309-G311 PolarHBondContact SG-O 2.72Å; C309-G311 VanDerWaalsContact SG-O 3.35Å; C309-A338 HydrophobicContact CB-CB 4.3Å
310R96.3Very high93.3Very high7 Ų737.5 Ų37.53%0.02621%0.213CC..EExtended strand (participates in β ladder)trans-113.5-3.9-173.7-66.2-68.3168.5-84.7-0.2114.5F242 Y243 E307 D308 L337 D614 V666F242-R310 HydrophobicContact CB-CG 4.25Å; F242-R310 HydrophobicContact CD1-CG 4.01Å; F242-R310 HydrophobicContact CG-CG 4.36Å; Y243-R310 PolarHBondContact O-N 2.94Å; E307-R310 PolarHBondContact O-NH1 2.98Å; E307-R310 PolarHBondContact O-NH2 3.24Å; D308-R310 PolarHBondContact O-N 3.49Å; R310-L337 CarbonylContact C-O 3.37Å; R310-L337 VanDerWaalsContact CA-O 3.28Å; R310-L337 WeakPolarHBondContact CA-O 3.21Å; R310-D614 IonicContact CZ-OD1 3.97Å; R310-D614 IonicContact CZ-OD2 3.46Å; R310-D614 IonicContact NE-OD1 3.07Å; R310-D614 IonicContact NE-OD2 3.86Å; R310-D614 PolarHBondContact NE-OD2 3.37Å; R310-D614 IonicContact NH2-OD1 2.8Å; R310-D614 PolarHBondContact NH2-OD1 3.03Å; R310-D614 IonicContact NH2-OD2 3.66Å; R310-D614 PolarHBondContact NH2-OD2 3.38Å; R310-V666 HydrophobicContact CB-CG1 4.29Å; R310-V666 HydrophobicContact CG-CG1 3.98Å
311G96.9Very high93.1Very high0 Ų031.3 Ų31.30%018%0.18CC..EExtended strand (participates in β ladder)trans-166.6156.6177.200000111.6S244 L245 C309 L339S244-G311 CarbonylContact C-O 3.2Å; S244-G311 WeakPolarHBondContact CA-O 3.43Å; S244-G311 VanDerWaalsContact CB-O 3.22Å; S244-G311 WeakPolarHBondContact CB-O 3.43Å; S244-G311 WeakPolarHBondContact OG-CA 3.42Å; S244-G311 PolarHBondContact OG-N 3.48Å; L245-G311 PolarHBondContact N-O 3.04Å; C309-G311 PolarHBondContact SG-O 2.72Å; C309-G311 VanDerWaalsContact SG-O 3.35Å; G311-L339 CarbonylContact C-O 3.52Å; G311-L339 VanDerWaalsContact CA-O 3.29Å; G311-L339 WeakPolarHBondContact CA-O 3.46Å
312Q97.1Very high92.9Very high2 Ų230 Ų301%0.00919%0.185CC..EExtended strand (participates in β ladder)trans-139.5143.8171.662.1-177.4-54.100110.7L245 H314 A328 M332 A338 L339 H340 M341L245-Q312 HydrophobicContact CB-CB 4.45Å; L245-Q312 CarbonylContact O-C 3.44Å; L245-Q312 WeakPolarHBondContact O-CA 3.47Å; Q312-H314 PolarHBondContact OE1-NE2 3.24Å; Q312-H314 VanDerWaalsContact OE1-NE2 3.12Å; Q312-A328 PolarHBondContact NE2-O 2.84Å; Q312-M332 VanDerWaalsContact NE2-CG 3.34Å; Q312-A338 PolarHBondContact NE2-O 3.21Å; Q312-L339 PolarHBondContact N-O 3.12Å; Q312-H340 HydrophobicContact CG-CB 3.93Å; Q312-H340 WeakPolarHBondContact O-CA 3.4Å; Q312-M341 PolarHBondContact O-N 3.04Å
313A96.1Very high92.7Very high0 Ų030.8 Ų30.80%019%0.188CC..EExtended strand (participates in β ladder)trans-147.5129173.800000111.2L245 V246 T247 M341 C343 P671L245-A313 PolarHBondContact O-N 3.17Å; V246-A313 CarbonylContact C-O 3.51Å; V246-A313 VanDerWaalsContact CA-O 3.29Å; V246-A313 WeakPolarHBondContact CA-O 3.44Å; V246-A313 HydrophobicContact CG2-CB 4.43Å; T247-A313 PolarHBondContact N-O 3.14Å; A313-M341 WeakPolarHBondContact CB-O 3.34Å; A313-C343 HydrophobicContact CB-CB 4.48Å; A313-P671 HydrophobicContact CB-CB 3.38Å; A313-P671 HydrophobicContact CB-CG 3.93Å
314H94.6Very high92.6Very high9 Ų928.6 Ų28.64%0.04217%0.165CC..EExtended strand (participates in β ladder)trans-117.6112.3-175-57.3-68000110.7T247 Q312 A316 M324T247-H314 WeakPolarHBondContact CG2-ND1 3.44Å; T247-H314 WeakPolarHBondContact OG1-CA 3.38Å; T247-H314 WeakPolarHBondContact OG1-CB 3.28Å; T247-H314 PolarHBondContact OG1-ND1 2.74Å; Q312-H314 PolarHBondContact OE1-NE2 3.24Å; Q312-H314 VanDerWaalsContact OE1-NE2 3.12Å; H314-A316 PolarHBondContact O-N 2.89Å; H314-M324 HydrophobicContact CB-CB 4.21Å; H314-M324 HydrophobicContact CB-CE 3.84Å; H314-M324 WeakPolarHBondContact ND1-CE 3.49Å
315K91.2Very high92.4Very high39 Ų3930.5 Ų30.517%0.1717%0.173CC..  trans-77.7106.2166.2173.7157.8-160.8-1180107.8T247 G248 D249 M346T247-K315 VanDerWaalsContact O-CB 3.27Å; T247-K315 WeakPolarHBondContact O-CB 3.38Å; T247-K315 PolarHBondContact O-N 3.44Å; G248-K315 CarbonylContact C-O 3.45Å; D249-K315 PolarHBondContact N-O 2.95Å; D249-K315 WeakPolarHBondContact OD2-CE 3.41Å; D249-K315 WeakPolarHBondContact OD2-CG 3.43Å; D249-K315 IonicContact OD2-NZ 3.96Å; D249-K315 PolarHBondContact OD2-NZ 2.81Å; K315-M346 HydrophobicContact CB-CE 3.85Å; K315-M346 HydrophobicContact CD-CE 3.67Å; K315-M346 HydrophobicContact CG-CE 3.37Å
316A88.6Confident92.3Very high9 Ų929.8 Ų29.87%0.07417%0.17CC..  trans-134.3141.2-179.100000110.7H314 T321 M324H314-A316 PolarHBondContact O-N 2.89Å; A316-T321 HydrophobicContact CB-CG2 4.4Å; A316-T321 PolarHBondContact O-OG1 2.84Å; A316-M324 HydrophobicContact CB-CB 3.72Å; A316-M324 HydrophobicContact CB-CG 3.74Å
317T86.1Confident92.2Very high30 Ų3029.6 Ų29.618%0.18417%0.169CC..  trans-134.9150.7-176.145.80000111.5D249 T319 S320 T321D249-T317 WeakPolarHBondContact OD1-CB 3.44Å; D249-T317 VanDerWaalsContact OD1-CG2 3.23Å; D249-T317 WeakPolarHBondContact OD1-CG2 3.36Å; D249-T317 PolarHBondContact OD1-OG1 2.9Å; T317-T319 PolarHBondContact O-N 3.24Å; T317-S320 PolarHBondContact N-OG 3.28Å; T317-S320 PolarHBondContact O-N 3.23Å; T317-S320 PolarHBondContact O-OG 2.91Å; T317-T321 VanDerWaalsContact CA-OG1 3.29Å; T317-T321 WeakPolarHBondContact CA-OG1 3.31Å; T317-T321 PolarHBondContact N-OG1 3.46Å
318G84.4Confident92.2Very high19 Ų1923.8 Ų23.820%0.19614%0.142CC..THydrogen-bonded Turntrans63-134.2175.300000112.1S320 T321G318-S320 PolarHBondContact O-N 3.39Å; G318-T321 PolarHBondContact O-N 3.4Å; G318-T321 PolarHBondContact O-OG1 2.97Å
319T80.7Confident92.2Very high135 Ų13525.6 Ų25.683%0.82815%0.154SC*.THydrogen-bonded Turntrans-69.1-17.3-17756.30000113.8T317 T321T317-T319 PolarHBondContact O-N 3.24Å; T319-T321 VanDerWaalsContact C-N 3.34Å
320S88.3Confident92.1Very high7 Ų728.2 Ų28.25%0.04917%0.168CC..Hα-helixtrans-76.9-20.2178.969.40000113.3T317 G318 K323 M324T317-S320 PolarHBondContact N-OG 3.28Å; T317-S320 PolarHBondContact O-N 3.23Å; T317-S320 PolarHBondContact O-OG 2.91Å; G318-S320 PolarHBondContact O-N 3.39Å; S320-K323 PolarHBondContact O-N 3.12Å; S320-M324 WeakPolarHBondContact O-CG 3.39Å; S320-M324 PolarHBondContact O-N 3.41Å
321T90.3Very high92.2Very high4 Ų428 Ų283%0.02517%0.167CC..Hα-helixtrans-65-46-171-52.90000113A316 T317 G318 T319 K323 M324 K325 N354 N355A316-T321 HydrophobicContact CB-CG2 4.4Å; A316-T321 PolarHBondContact O-OG1 2.84Å; T317-T321 VanDerWaalsContact CA-OG1 3.29Å; T317-T321 WeakPolarHBondContact CA-OG1 3.31Å; T317-T321 PolarHBondContact N-OG1 3.46Å; G318-T321 PolarHBondContact O-N 3.4Å; G318-T321 PolarHBondContact O-OG1 2.97Å; T319-T321 VanDerWaalsContact C-N 3.34Å; T321-K323 VanDerWaalsContact C-N 3.31Å; T321-K323 PolarHBondContact O-N 3.1Å; T321-M324 PolarHBondContact O-N 3.27Å; T321-K325 WeakPolarHBondContact O-CB 3.47Å; T321-K325 PolarHBondContact O-N 3.41Å; T321-N354 WeakPolarHBondContact CG2-O 3.41Å; T321-N355 HydrophobicContact CG2-CB 4.29Å; T321-N355 VanDerWaalsContact CG2-OD1 3.25Å; T321-N355 WeakPolarHBondContact CG2-OD1 3.32Å
322T90Very high92.1Very high92 Ų9230.3 Ų30.356%0.56418%0.179SC*.Hα-helixtrans-60.7-42.3178.1-52.50000111.7K325 A326T322-K325 PolarHBondContact O-N 3.49Å; T322-A326 PolarHBondContact O-N 2.78Å; T322-A326 VanDerWaalsContact O-N 3.07Å
323K91.2Very high92Very high20 Ų2037 Ų379%0.08721%0.209CC..Hα-helixtrans-64.1-46.1177.4176.8158.7177.9171.50111.4F282 V283 G285 E287 S320 T321 K325 A326 V327F282-K323 HydrophobicContact CE1-CD 4.3Å; F282-K323 HydrophobicContact CE2-CD 4.4Å; F282-K323 HydrophobicContact CZ-CD 3.7Å; F282-K323 HydrophobicContact CZ-CG 4.13Å; V283-K323 PolarHBondContact O-NZ 3.2Å; G285-K323 PolarHBondContact O-NZ 3.21Å; E287-K323 HydrophobicContact CG-CG 4.24Å; S320-K323 PolarHBondContact O-N 3.12Å; T321-K323 VanDerWaalsContact C-N 3.31Å; T321-K323 PolarHBondContact O-N 3.1Å; K323-K325 VanDerWaalsContact C-N 3.35Å; K323-K325 PolarHBondContact O-N 3.04Å; K323-A326 PolarHBondContact O-N 2.97Å; K323-V327 WeakPolarHBondContact O-CG2 3.32Å; K323-V327 PolarHBondContact O-N 3.06Å
324M93.8Very high92.1Very high5 Ų542.3 Ų42.33%0.02523%0.233CC..Hα-helixtrans-67.5-33.1178-68.6-53-58.200113L259 F282 L290 H314 A316 S320 T321 V327 A328L259-M324 HydrophobicContact CD1-CE 4.48Å; L259-M324 HydrophobicContact CD1-SD 4.43Å; L259-M324 HydrophobicContact CD2-CE 3.87Å; L259-M324 HydrophobicContact CD2-SD 4.1Å; F282-M324 HydrophobicContact CE2-SD 3.88Å; L290-M324 HydrophobicContact CD2-SD 4.07Å; H314-M324 HydrophobicContact CB-CB 4.21Å; H314-M324 HydrophobicContact CB-CE 3.84Å; H314-M324 WeakPolarHBondContact ND1-CE 3.49Å; A316-M324 HydrophobicContact CB-CB 3.72Å; A316-M324 HydrophobicContact CB-CG 3.74Å; S320-M324 WeakPolarHBondContact O-CG 3.39Å; S320-M324 PolarHBondContact O-N 3.41Å; T321-M324 PolarHBondContact O-N 3.27Å; M324-V327 HydrophobicContact CE-CG1 4.35Å; M324-V327 PolarHBondContact O-N 3.07Å; M324-A328 PolarHBondContact O-N 3.13Å
325K92.4Very high92.1Very high50 Ų5043.2 Ų43.222%0.21724%0.236CC..Hα-helixtrans-62.5-43.8172-176.7168.4175.3160.30111T321 T322 K323 A328 V329 E572 D575T321-K325 WeakPolarHBondContact O-CB 3.47Å; T321-K325 PolarHBondContact O-N 3.41Å; T322-K325 PolarHBondContact O-N 3.49Å; K323-K325 VanDerWaalsContact C-N 3.35Å; K323-K325 PolarHBondContact O-N 3.04Å; K325-A328 WeakPolarHBondContact O-CB 3.46Å; K325-A328 PolarHBondContact O-N 2.77Å; K325-V329 WeakPolarHBondContact O-CG2 3.48Å; K325-V329 PolarHBondContact O-N 2.65Å; K325-V329 VanDerWaalsContact O-N 3.14Å; K325-E572 IonicContact NZ-OE1 2.75Å; K325-E572 PolarHBondContact NZ-OE1 3.42Å; K325-E572 IonicContact NZ-OE2 2.72Å; K325-E572 PolarHBondContact NZ-OE2 2.93Å; K325-D575 IonicContact NZ-OD2 2.81Å; K325-D575 PolarHBondContact NZ-OD2 2.7Å
326A93.8Very high92.3Very high33 Ų3345.6 Ų45.627%0.27326%0.255SS..Hα-helixtrans-65.2-41.8175.700000112.6E287 T322 K323 A328 V329 L330E287-A326 HydrophobicContact CB-CB 4.39Å; E287-A326 HydrophobicContact CG-CB 3.64Å; T322-A326 PolarHBondContact O-N 2.78Å; T322-A326 VanDerWaalsContact O-N 3.07Å; K323-A326 PolarHBondContact O-N 2.97Å; A326-A328 VanDerWaalsContact C-N 3.3Å; A326-A328 PolarHBondContact O-N 2.97Å; A326-V329 PolarHBondContact O-N 3.06Å; A326-L330 WeakPolarHBondContact O-CG 3.27Å; A326-L330 PolarHBondContact O-N 3.18Å
327V95.3Very high92.5Very high3 Ų347.5 Ų47.52%0.01826%0.264CS..Hα-helixtrans-56.3-44.7172.3167.30000111.4L290 V291 K323 M324 V329 L330 L331L290-V327 HydrophobicContact CB-CG2 4.33Å; L290-V327 HydrophobicContact CD2-CG2 3.91Å; L290-V327 HydrophobicContact CG-CG2 4.28Å; V291-V327 HydrophobicContact CG2-CB 4.38Å; V291-V327 HydrophobicContact CG2-CG1 4.02Å; V291-V327 HydrophobicContact CG2-CG2 4.32Å; K323-V327 WeakPolarHBondContact O-CG2 3.32Å; K323-V327 PolarHBondContact O-N 3.06Å; M324-V327 HydrophobicContact CE-CG1 4.35Å; M324-V327 PolarHBondContact O-N 3.07Å; V327-V329 VanDerWaalsContact C-N 3.34Å; V327-V329 PolarHBondContact O-N 3.27Å; V327-L330 PolarHBondContact O-N 3.11Å; V327-L331 HydrophobicContact CG1-CD1 3.89Å; V327-L331 HydrophobicContact CG1-CG 4.49Å; V327-L331 WeakPolarHBondContact O-CB 3.31Å; V327-L331 WeakPolarHBondContact O-CG 3.36Å; V327-L331 PolarHBondContact O-N 3.34Å
328A95.5Very high93Very high1 Ų146.1 Ų46.11%0.00826%0.256CS..Hα-helixtrans-60.7-4417900000112.1Q312 M324 K325 A326 L331 M332 H340Q312-A328 PolarHBondContact NE2-O 2.84Å; M324-A328 PolarHBondContact O-N 3.13Å; K325-A328 WeakPolarHBondContact O-CB 3.46Å; K325-A328 PolarHBondContact O-N 2.77Å; A326-A328 VanDerWaalsContact C-N 3.3Å; A326-A328 PolarHBondContact O-N 2.97Å; A328-L331 PolarHBondContact O-N 2.96Å; A328-M332 WeakPolarHBondContact O-CG 3.2Å; A328-M332 PolarHBondContact O-N 3.48Å; A328-H340 HydrophobicContact CB-CB 4.35Å
329V95.6Very high93.5Very high70 Ų7045.4 Ų45.442%0.42425%0.248SC..Hα-helixtrans-62.2-48.9176.5173.10000111K325 A326 V327 L331 M332 E333K325-V329 WeakPolarHBondContact O-CG2 3.48Å; K325-V329 PolarHBondContact O-N 2.65Å; K325-V329 VanDerWaalsContact O-N 3.14Å; A326-V329 PolarHBondContact O-N 3.06Å; V327-V329 VanDerWaalsContact C-N 3.34Å; V327-V329 PolarHBondContact O-N 3.27Å; V329-L331 VanDerWaalsContact C-N 3.31Å; V329-L331 PolarHBondContact O-N 2.66Å; V329-M332 WeakPolarHBondContact O-CB 3.44Å; V329-M332 PolarHBondContact O-N 2.68Å; V329-M332 VanDerWaalsContact O-N 3.09Å; V329-E333 HydrophobicContact CG1-CG 4.44Å; V329-E333 WeakPolarHBondContact O-CG 3.34Å; V329-E333 PolarHBondContact O-N 3.43Å
330L96.9Very high94.3Very high58 Ų5840.3 Ų40.330%0.30421%0.214SC..Hα-helixtrans-60.5-39.6179-70.3173.6000112.3E287 V291 A326 V327 E333 K334E287-L330 HydrophobicContact CB-CD1 3.95Å; V291-L330 HydrophobicContact CG2-CB 3.96Å; V291-L330 HydrophobicContact CG2-CD1 4.1Å; A326-L330 WeakPolarHBondContact O-CG 3.27Å; A326-L330 PolarHBondContact O-N 3.18Å; V327-L330 PolarHBondContact O-N 3.11Å; L330-E333 PolarHBondContact O-N 3.4Å; L330-K334 PolarHBondContact O-N 3.45Å; L330-K334 VanDerWaalsContact O-N 3.15Å
331L96.7Very high94.5Very high2 Ų240.2 Ų40.21%0.0121%0.213CC..Hα-helixtrans-65.2-40.1174.4-76.8170000112L245 V291 L294 M306 V327 A328 V329 K334 Y335L245-L331 HydrophobicContact CD2-CD1 4.44Å; V291-L331 HydrophobicContact CG1-CD2 3.89Å; V291-L331 HydrophobicContact CG1-CG 4.35Å; V291-L331 HydrophobicContact CG2-CG 4.41Å; L294-L331 HydrophobicContact CD2-CD1 3.72Å; L294-L331 HydrophobicContact CD2-CD2 4.29Å; M306-L331 HydrophobicContact CE-CD2 3.85Å; V327-L331 HydrophobicContact CG1-CD1 3.89Å; V327-L331 HydrophobicContact CG1-CG 4.49Å; V327-L331 WeakPolarHBondContact O-CB 3.31Å; V327-L331 WeakPolarHBondContact O-CG 3.36Å; V327-L331 PolarHBondContact O-N 3.34Å; A328-L331 PolarHBondContact O-N 2.96Å; V329-L331 VanDerWaalsContact C-N 3.31Å; V329-L331 PolarHBondContact O-N 2.66Å; L331-K334 PolarHBondContact O-N 3.03Å; L331-Y335 HydrophobicContact CD2-CD2 4.42Å; L331-Y335 WeakPolarHBondContact O-CA 3.49Å; L331-Y335 PolarHBondContact O-N 3.27Å
332M95.3Very high94.6Very high49 Ų4940.3 Ų40.324%0.24121%0.214CC..Hα-helixtrans-67.2-36.5175.7-73.7-179.264.900112.6Q312 A328 V329 K334 Y335 P336 A338 H340Q312-M332 VanDerWaalsContact NE2-CG 3.34Å; A328-M332 WeakPolarHBondContact O-CG 3.2Å; A328-M332 PolarHBondContact O-N 3.48Å; V329-M332 WeakPolarHBondContact O-CB 3.44Å; V329-M332 PolarHBondContact O-N 2.68Å; V329-M332 VanDerWaalsContact O-N 3.09Å; M332-K334 VanDerWaalsContact C-N 3.32Å; M332-Y335 CarbonylContact O-C 3.37Å; M332-P336 VanDerWaalsContact O-CA 3.28Å; M332-P336 WeakPolarHBondContact O-CA 3.43Å; M332-A338 WeakPolarHBondContact CG-O 3.26Å; M332-H340 HydrophobicContact CG-CB 4.29Å; M332-H340 HydrophobicContact SD-CB 3.4Å; M332-H340 WeakPolarHBondContact SD-CB 3.48Å
333E95.9Very high94.6Very high141 Ų14136.1 Ų36.166%0.65919%0.188SC*.Hα-helixtrans-63.9-39.7176.2-73.8180169.800111.6V329 L330V329-E333 HydrophobicContact CG1-CG 4.44Å; V329-E333 WeakPolarHBondContact O-CG 3.34Å; V329-E333 PolarHBondContact O-N 3.43Å; L330-E333 PolarHBondContact O-N 3.4Å
334K96.8Very high94.6Very high112 Ų11235.8 Ų35.849%0.48719%0.188SC..Hα-helixtrans-80.2-38.1178.9-165.5171.1179-1780112.8E295 L330 L331 M332E295-K334 VanDerWaalsContact OE1-CD 3.24Å; E295-K334 WeakPolarHBondContact OE1-CD 3.44Å; E295-K334 WeakPolarHBondContact OE1-CE 3.42Å; E295-K334 IonicContact OE1-NZ 2.73Å; E295-K334 PolarHBondContact OE1-NZ 3.46Å; E295-K334 IonicContact OE2-NZ 3.4Å; E295-K334 PolarHBondContact OE2-NZ 3.24Å; L330-K334 PolarHBondContact O-N 3.45Å; L330-K334 VanDerWaalsContact O-N 3.15Å; L331-K334 PolarHBondContact O-N 3.03Å; M332-K334 VanDerWaalsContact C-N 3.32Å
335Y96.1Very high94.2Very high28 Ų2838.8 Ų38.811%0.1120%0.202CC..  trans-128.886.1-178.9-51.1-72.6000110.4E295 M306 L331 M332 L337 A338E295-Y335 WeakPolarHBondContact OE1-CE2 3.35Å; E295-Y335 PolarHBondContact OE1-OH 3.4Å; M306-Y335 HydrophobicContact CB-CD1 3.83Å; M306-Y335 HydrophobicContact CB-CD2 4.06Å; M306-Y335 HydrophobicContact CB-CE1 3.37Å; M306-Y335 HydrophobicContact CB-CE2 3.61Å; M306-Y335 HydrophobicContact CB-CG 4.15Å; M306-Y335 HydrophobicContact CE-CD2 3.67Å; M306-Y335 HydrophobicContact CE-CE2 3.66Å; M306-Y335 HydrophobicContact CE-CG 4.48Å; M306-Y335 HydrophobicContact CG-CE1 4.38Å; M306-Y335 HydrophobicContact CG-CE2 3.87Å; L331-Y335 HydrophobicContact CD2-CD2 4.42Å; L331-Y335 WeakPolarHBondContact O-CA 3.49Å; L331-Y335 PolarHBondContact O-N 3.27Å; M332-Y335 CarbonylContact O-C 3.37Å; Y335-L337 PolarHBondContact O-N 2.92Å; Y335-A338 WeakPolarHBondContact O-CB 3.46Å; Y335-A338 PolarHBondContact O-N 3.31Å
336P93.9Very high94.1Very high89 Ų8937 Ų3758%0.57820%0.195SC*.THydrogen-bonded Turntrans-61.2-20.4-173.4-27.536.2000115.5M332M332-P336 VanDerWaalsContact O-CA 3.28Å; M332-P336 WeakPolarHBondContact O-CA 3.43Å
337L93.9Very high94.1Very high50 Ų5035.4 Ų35.426%0.26218%0.182SC..THydrogen-bonded Turntrans-86.2-9.7176.2-64.8179.4000113.4R310 Y335 L339 V610 Y611R310-L337 CarbonylContact C-O 3.37Å; R310-L337 VanDerWaalsContact CA-O 3.28Å; R310-L337 WeakPolarHBondContact CA-O 3.21Å; Y335-L337 PolarHBondContact O-N 2.92Å; L337-L339 PolarHBondContact O-N 2.92Å; L337-V610 HydrophobicContact CD2-CG1 4.04Å; L337-Y611 HydrophobicContact CD2-CE1 4.26Å
338A96.3Very high94.1Very high1 Ų135.5 Ų35.51%0.00818%0.182CC..SBendtrans-80.970.8172.400000110C309 Q312 M332 Y335 H340C309-A338 HydrophobicContact CB-CB 4.3Å; Q312-A338 PolarHBondContact NE2-O 3.21Å; M332-A338 WeakPolarHBondContact CG-O 3.26Å; Y335-A338 WeakPolarHBondContact O-CB 3.46Å; Y335-A338 PolarHBondContact O-N 3.31Å; A338-H340 PolarHBondContact O-N 3.09Å
339L95.6Very high94.1Very high4 Ų435.6 Ų35.62%0.02118%0.182CC..EExtended strand (participates in β ladder)trans-62.6124.8-172.6-60.1-175000112.5G311 Q312 L337 M341 N580 A584 Y611 M670G311-L339 CarbonylContact C-O 3.52Å; G311-L339 VanDerWaalsContact CA-O 3.29Å; G311-L339 WeakPolarHBondContact CA-O 3.46Å; Q312-L339 PolarHBondContact N-O 3.12Å; L337-L339 PolarHBondContact O-N 2.92Å; L339-M341 HydrophobicContact CB-CE 4.15Å; L339-M341 HydrophobicContact CD1-CE 3.8Å; L339-M341 PolarHBondContact O-N 3.38Å; L339-N580 HydrophobicContact CD2-CB 4.33Å; L339-A584 HydrophobicContact CD1-CB 3.73Å; L339-Y611 WeakPolarHBondContact CD1-OH 3.45Å; L339-M670 HydrophobicContact CD1-CE 4.06Å; L339-M670 HydrophobicContact CD1-SD 4.21Å
340H95.7Very high94.1Very high28 Ų2833.1 Ų33.113%0.1317%0.167CC..EExtended strand (participates in β ladder)trans-76.8119.5173.7-178.7-126.7000111Q312 A328 M332 A338 N581Q312-H340 HydrophobicContact CG-CB 3.93Å; Q312-H340 WeakPolarHBondContact O-CA 3.4Å; A328-H340 HydrophobicContact CB-CB 4.35Å; M332-H340 HydrophobicContact CG-CB 4.29Å; M332-H340 HydrophobicContact SD-CB 3.4Å; M332-H340 WeakPolarHBondContact SD-CB 3.48Å; A338-H340 PolarHBondContact O-N 3.09Å; H340-N581 PolarHBondContact O-ND2 3.29Å
341M94.1Very high94Very high4 Ų430.6 Ų30.62%0.0215%0.154CC..  trans-136.5158.8-176.6-73.2-167.5-17800111.1Q312 A313 L339 N581 A584 L585 M670 P671 V672Q312-M341 PolarHBondContact O-N 3.04Å; A313-M341 WeakPolarHBondContact CB-O 3.34Å; L339-M341 HydrophobicContact CB-CE 4.15Å; L339-M341 HydrophobicContact CD1-CE 3.8Å; L339-M341 PolarHBondContact O-N 3.38Å; M341-N581 HydrophobicContact CE-CB 3.94Å; M341-A584 HydrophobicContact CE-CB 4.17Å; M341-L585 HydrophobicContact CE-CD2 4.45Å; M341-L585 HydrophobicContact SD-CD2 4.48Å; M341-M670 HydrophobicContact CE-SD 3.79Å; M341-M670 HydrophobicContact SD-CB 4.16Å; M341-M670 HydrophobicContact SD-SD 4.02Å; M341-P671 HydrophobicContact CB-CB 4.4Å; M341-V672 HydrophobicContact CB-CB 4.31Å; M341-V672 HydrophobicContact SD-CB 4.26Å; M341-V672 HydrophobicContact SD-CG1 3.59Å; M341-V672 VanDerWaalsContact SD-CG1 3.59Å
342P92.6Very high94Very high7 Ų730.5 Ų30.55%0.04515%0.153CC..  trans-66.5145.4177.224.4-28.3000111S344 M576 F577 P671 V672P342-S344 PolarHBondContact O-N 2.78Å; P342-M576 HydrophobicContact CB-SD 3.58Å; P342-M576 VanDerWaalsContact CB-SD 3.58Å; P342-M576 VanDerWaalsContact CD-SD 3.52Å; P342-M576 HydrophobicContact CG-CG 4.34Å; P342-M576 HydrophobicContact CG-SD 3.68Å; P342-F577 HydrophobicContact CG-CE1 4.48Å; P342-F577 HydrophobicContact CG-CZ 4.13Å; P342-P671 CarbonylContact O-C 3.4Å; P342-V672 HydrophobicContact CG-CB 4.28Å; P342-V672 HydrophobicContact CG-CG2 3.91Å; P342-V672 VanDerWaalsContact O-CA 3.28Å; P342-V672 WeakPolarHBondContact O-CA 3.29Å; P342-V672 PolarHBondContact O-N 3.45Å
343C90.1Very high94Very high3 Ų328.2 Ų28.22%0.0214%0.142CC..  trans-63.6126.2173.8-54.60000110.3A313 H345 M346A313-C343 HydrophobicContact CB-CB 4.48Å; C343-H345 PolarHBondContact O-N 3.11Å; C343-M346 HydrophobicContact CB-CB 4.17Å; C343-M346 PolarHBondContact O-N 3.5Å
344S89.6Confident93.9Very high14 Ų1421.7 Ų21.710%0.09811%0.111CC..THydrogen-bonded Turntrans-56.6-25.4179.661.80000115.2P342 Q484 P671 V672 L673P342-S344 PolarHBondContact O-N 2.78Å; S344-Q484 PolarHBondContact O-NE2 3.28Å; S344-Q484 VanDerWaalsContact O-NE2 3.09Å; S344-P671 WeakPolarHBondContact CB-O 3.15Å; S344-P671 PolarHBondContact N-O 3.49Å; S344-P671 PolarHBondContact OG-O 2.85Å; S344-V672 WeakPolarHBondContact CB-O 3.46Å; S344-L673 WeakPolarHBondContact CB-O 3.42Å; S344-L673 PolarHBondContact OG-O 3.5Å
345H85.9Confident93.7Very high67 Ų6717.1 Ų17.131%0.319%0.092SC..THydrogen-bonded Turntrans-9511.6178.662.659.4000113.5E274 C343E274-H345 IonicContact OE1-CD2 2.7Å; C343-H345 PolarHBondContact O-N 3.11Å
346M90.6Very high93.6Very high12 Ų1215.8 Ų15.86%0.0599%0.087CC..SBendtrans-121.7124.9174.1-177.4-173.8-66.600109.8K315 C343 L348 I350 H351 Q484K315-M346 HydrophobicContact CB-CE 3.85Å; K315-M346 HydrophobicContact CD-CE 3.67Å; K315-M346 HydrophobicContact CG-CE 3.37Å; C343-M346 HydrophobicContact CB-CB 4.17Å; C343-M346 PolarHBondContact O-N 3.5Å; M346-L348 PolarHBondContact O-N 3.12Å; M346-I350 HydrophobicContact CG-CB 4.28Å; M346-I350 HydrophobicContact CG-CG2 4.17Å; M346-I350 HydrophobicContact SD-CG2 4.27Å; M346-H351 HydrophobicContact CG-CB 4.34Å; M346-H351 VanDerWaalsContact SD-CA 3.55Å; M346-H351 HydrophobicContact SD-CB 3.6Å; M346-Q484 PolarHBondContact O-NE2 3.18Å
347A93.9Very high93.5Very high1 Ų115.5 Ų15.51%0.0089%0.085CC..  trans-56.7135.7174.400000111N349 I350 H351 E412 H414A347-N349 PolarHBondContact O-N 3.32Å; A347-I350 HydrophobicContact CB-CD1 4Å; A347-I350 HydrophobicContact CB-CG1 4.19Å; A347-I350 WeakPolarHBondContact O-CB 3.22Å; A347-I350 PolarHBondContact O-N 3.34Å; A347-H351 PolarHBondContact O-N 2.84Å; A347-E412 WeakPolarHBondContact CB-O 3.18Å; A347-H414 HydrophobicContact CB-CB 4.45Å
348L95.3Very high93.4Very high4 Ų415.6 Ų15.62%0.0218%0.083CC..Hα-helixtrans-55.3-41.6-176179.565.7000111.8M346 I350 H351 L352 H414 F479 L483 M576 F577M346-L348 PolarHBondContact O-N 3.12Å; L348-I350 VanDerWaalsContact C-N 3.26Å; L348-I350 PolarHBondContact O-N 3.45Å; L348-H351 WeakPolarHBondContact O-CB 3.14Å; L348-H351 PolarHBondContact O-N 3.16Å; L348-H351 VanDerWaalsContact O-N 3.11Å; L348-L352 HydrophobicContact CD1-CD1 4.26Å; L348-L352 HydrophobicContact CD1-CD2 4.4Å; L348-L352 HydrophobicContact CD1-CG 4.06Å; L348-L352 HydrophobicContact CD2-CD1 4.31Å; L348-L352 HydrophobicContact CG-CD1 3.84Å; L348-L352 HydrophobicContact CG-CG 4.1Å; L348-L352 VanDerWaalsContact O-CG 3.29Å; L348-L352 WeakPolarHBondContact O-CG 3.35Å; L348-L352 PolarHBondContact O-N 3.25Å; L348-H414 PolarHBondContact N-CD2 3.26Å; L348-H414 PolarHBondContact N-NE2 2.83Å; L348-F479 HydrophobicContact CD2-CD1 3.44Å; L348-F479 VanDerWaalsContact CD2-CD1 3.44Å; L348-F479 HydrophobicContact CD2-CE1 3.68Å; L348-L483 HydrophobicContact CD2-CD1 4.23Å; L348-M576 HydrophobicContact CD1-CE 3.35Å; L348-M576 HydrophobicContact CD1-SD 4.41Å; L348-F577 HydrophobicContact CD1-CE2 4.13Å; L348-F577 HydrophobicContact CD1-CZ 4.15Å; L348-F577 HydrophobicContact CD2-CE2 4.49Å
349N96.2Very high93.2Very high3 Ų320.2 Ų20.22%0.01611%0.113CC..Hα-helixtrans-63.3-33.2-179.2-71.45.6000112.6A347 A353 H414 L473 T476A347-N349 PolarHBondContact O-N 3.32Å; N349-A353 VanDerWaalsContact O-CB 3.29Å; N349-A353 WeakPolarHBondContact O-CB 3.31Å; N349-A353 PolarHBondContact O-N 3.14Å; N349-A353 VanDerWaalsContact O-N 3.1Å; N349-H414 PolarHBondContact ND2-O 3.4Å; N349-L473 HydrophobicContact CB-CB 4.21Å; N349-L473 HydrophobicContact CB-CD1 4.24Å; N349-L473 HydrophobicContact CB-CD2 4.35Å; N349-L473 PolarHBondContact ND2-O 3.39Å; N349-T476 PolarHBondContact OD1-OG1 2.79Å
350I95.2Very high93.1Very high18 Ų1820.6 Ų20.69%0.09212%0.116CC..Hα-helixtrans-71.9-43.1174.5-63.9173.9000109.7M346 A347 L348 A353 N354 M365 T411 I416M346-I350 HydrophobicContact CG-CB 4.28Å; M346-I350 HydrophobicContact CG-CG2 4.17Å; M346-I350 HydrophobicContact SD-CG2 4.27Å; A347-I350 HydrophobicContact CB-CD1 4Å; A347-I350 HydrophobicContact CB-CG1 4.19Å; A347-I350 WeakPolarHBondContact O-CB 3.22Å; A347-I350 PolarHBondContact O-N 3.34Å; L348-I350 VanDerWaalsContact C-N 3.26Å; L348-I350 PolarHBondContact O-N 3.45Å; I350-A353 PolarHBondContact O-N 3.31Å; I350-N354 WeakPolarHBondContact CG2-ND2 3.21Å; I350-N354 WeakPolarHBondContact O-CB 3.35Å; I350-N354 PolarHBondContact O-N 3.4Å; I350-N354 PolarHBondContact O-ND2 2.77Å; I350-M365 HydrophobicContact CG2-CE 3.99Å; I350-T411 VanDerWaalsContact CD1-O 3.24Å; I350-T411 WeakPolarHBondContact CD1-O 3.47Å; I350-I416 HydrophobicContact CD1-CD1 4.08Å; I350-I416 HydrophobicContact CG1-CD1 4.23Å; I350-I416 HydrophobicContact CG1-CG2 4.05Å
351H94.3Very high93.1Very high6 Ų619.3 Ų19.33%0.02811%0.109CC..Hα-helixtrans-58.4-52.3176.1-176.289.4000111.3M346 A347 L348 A353 N354 N355 M576M346-H351 HydrophobicContact CG-CB 4.34Å; M346-H351 VanDerWaalsContact SD-CA 3.55Å; M346-H351 HydrophobicContact SD-CB 3.6Å; A347-H351 PolarHBondContact O-N 2.84Å; L348-H351 WeakPolarHBondContact O-CB 3.14Å; L348-H351 PolarHBondContact O-N 3.16Å; L348-H351 VanDerWaalsContact O-N 3.11Å; H351-A353 PolarHBondContact O-N 3.1Å; H351-N354 PolarHBondContact O-N 2.72Å; H351-N355 PolarHBondContact CD2-ND2 2.83Å; H351-N355 VanDerWaalsContact CD2-ND2 3.3Å; H351-N355 PolarHBondContact CE1-ND2 2.8Å; H351-N355 PolarHBondContact NE2-ND2 3.07Å; H351-N355 PolarHBondContact O-N 3.4Å; H351-N355 PolarHBondContact O-ND2 2.85Å; H351-M576 PolarHBondContact CD2-SD 3.22Å; H351-M576 PolarHBondContact NE2-SD 3.07Å; H351-M576 VanDerWaalsContact NE2-SD 3.38Å
352L95.9Very high93.1Very high0 Ų020.8 Ų20.80%012%0.116CC..Hα-helixtrans-60.2-45.7-179.7-65172.1000111.4L348 N355 L473 T476 I569 E572 V573 M576L348-L352 HydrophobicContact CD1-CD1 4.26Å; L348-L352 HydrophobicContact CD1-CD2 4.4Å; L348-L352 HydrophobicContact CD1-CG 4.06Å; L348-L352 HydrophobicContact CD2-CD1 4.31Å; L348-L352 HydrophobicContact CG-CD1 3.84Å; L348-L352 HydrophobicContact CG-CG 4.1Å; L348-L352 VanDerWaalsContact O-CG 3.29Å; L348-L352 WeakPolarHBondContact O-CG 3.35Å; L348-L352 PolarHBondContact O-N 3.25Å; L352-N355 PolarHBondContact O-N 3.47Å; L352-L473 HydrophobicContact CB-CD2 4.11Å; L352-L473 HydrophobicContact CD1-CD2 3.91Å; L352-T476 HydrophobicContact CD1-CG2 3.99Å; L352-I569 HydrophobicContact CB-CD1 3.67Å; L352-I569 HydrophobicContact CD1-CG2 4.39Å; L352-E572 HydrophobicContact CD2-CB 3.61Å; L352-V573 HydrophobicContact CD1-CG2 3.83Å; L352-V573 HydrophobicContact CD2-CG2 3.83Å; L352-M576 HydrophobicContact CD2-CE 3.54Å; L352-M576 HydrophobicContact CG-CE 4.34Å
353A96.1Very high93.2Very high0 Ų024 Ų240%013%0.132CC..Hα-helixtrans-64.3-41.417900000113N349 I350 H351 N355 L356 V361 M365 F417 L469 L473N349-A353 VanDerWaalsContact O-CB 3.29Å; N349-A353 WeakPolarHBondContact O-CB 3.31Å; N349-A353 PolarHBondContact O-N 3.14Å; N349-A353 VanDerWaalsContact O-N 3.1Å; I350-A353 PolarHBondContact O-N 3.31Å; H351-A353 PolarHBondContact O-N 3.1Å; A353-N355 VanDerWaalsContact C-N 3.26Å; A353-N355 PolarHBondContact O-N 2.87Å; A353-L356 PolarHBondContact O-N 3.15Å; A353-V361 WeakPolarHBondContact O-CG1 3.25Å; A353-M365 HydrophobicContact CB-CE 4.16Å; A353-M365 HydrophobicContact CB-CG 4.42Å; A353-M365 HydrophobicContact CB-SD 3.7Å; A353-F417 HydrophobicContact CB-CE2 4.21Å; A353-F417 HydrophobicContact CB-CZ 3.75Å; A353-L469 HydrophobicContact CB-CD2 4.44Å; A353-L473 HydrophobicContact CB-CD1 4.22Å
354N93.9Very high93.5Very high4 Ų423.9 Ų23.92%0.02113%0.132CC..Hα-helixtrans-63.2-32.2177.2-80.8-49.4000112.4T321 I350 H351 L356 Q362 M365 R369T321-N354 WeakPolarHBondContact CG2-O 3.41Å; I350-N354 WeakPolarHBondContact CG2-ND2 3.21Å; I350-N354 WeakPolarHBondContact O-CB 3.35Å; I350-N354 PolarHBondContact O-N 3.4Å; I350-N354 PolarHBondContact O-ND2 2.77Å; H351-N354 PolarHBondContact O-N 2.72Å; N354-L356 VanDerWaalsContact C-N 3.3Å; N354-L356 PolarHBondContact O-N 3.5Å; N354-Q362 PolarHBondContact O-NE2 2.83Å; N354-M365 WeakPolarHBondContact OD1-CE 3.41Å; N354-R369 PolarHBondContact OD1-NH2 2.94Å
355N92.9Very high93.8Very high17 Ų1723.5 Ų23.59%0.09113%0.128CC..Hα-helixtrans-76.2-12.9-179.4-78.9-74000114.4T321 H351 L352 A353 P357 E572T321-N355 HydrophobicContact CG2-CB 4.29Å; T321-N355 VanDerWaalsContact CG2-OD1 3.25Å; T321-N355 WeakPolarHBondContact CG2-OD1 3.32Å; H351-N355 PolarHBondContact CD2-ND2 2.83Å; H351-N355 VanDerWaalsContact CD2-ND2 3.3Å; H351-N355 PolarHBondContact CE1-ND2 2.8Å; H351-N355 PolarHBondContact NE2-ND2 3.07Å; H351-N355 PolarHBondContact O-N 3.4Å; H351-N355 PolarHBondContact O-ND2 2.85Å; L352-N355 PolarHBondContact O-N 3.47Å; A353-N355 VanDerWaalsContact C-N 3.26Å; A353-N355 PolarHBondContact O-N 2.87Å; N355-P357 WeakPolarHBondContact O-CD 3.23Å; N355-E572 HydrophobicContact CB-CG 4.06Å
356L94.3Very high94.2Very high0 Ų024.3 Ų24.30%013%0.132CC..  trans-72.8118.3177-62.8-173.5000111.2A353 N354 F358 V361 Q362 L469 V565 I569 E572A353-L356 PolarHBondContact O-N 3.15Å; N354-L356 VanDerWaalsContact C-N 3.3Å; N354-L356 PolarHBondContact O-N 3.5Å; L356-F358 HydrophobicContact CB-CD2 3.81Å; L356-F358 HydrophobicContact CB-CE2 4.17Å; L356-F358 HydrophobicContact CD1-CD2 4.24Å; L356-F358 HydrophobicContact CD1-CE2 4.39Å; L356-F358 HydrophobicContact CD2-CE2 4.15Å; L356-F358 HydrophobicContact CG-CD2 4.44Å; L356-F358 HydrophobicContact CG-CE2 4.47Å; L356-F358 PolarHBondContact O-N 3.07Å; L356-V361 HydrophobicContact CB-CB 4.42Å; L356-V361 HydrophobicContact CB-CG1 4.07Å; L356-V361 HydrophobicContact CD1-CG1 4.25Å; L356-V361 HydrophobicContact CD1-CG2 4.2Å; L356-Q362 PolarHBondContact O-NE2 3.29Å; L356-L469 HydrophobicContact CD1-CD2 4.3Å; L356-V565 HydrophobicContact CD1-CG1 4.12Å; L356-V565 HydrophobicContact CD1-CG2 4.38Å; L356-I569 HydrophobicContact CD1-CD1 3.78Å; L356-I569 HydrophobicContact CD1-CG1 4.07Å; L356-I569 HydrophobicContact CD2-CD1 4.14Å; L356-I569 HydrophobicContact CD2-CG1 4.49Å; L356-I569 HydrophobicContact CG-CD1 4.1Å; L356-E572 HydrophobicContact CD2-CG 4.27Å
357P91.3Very high94.4Very high82 Ų8224 Ų2453%0.53213%0.131SC..  trans-81.332.5-175.935.9-37.3000112.7N355N355-P357 WeakPolarHBondContact O-CD 3.23Å
358F92.1Very high94.4Very high52 Ų5224.2 Ų24.223%0.22813%0.132CC..  trans-98.4126.6-177.2-52.5-51.7000110.7L356 N360 V361 Q362 P564 V565L356-F358 HydrophobicContact CB-CD2 3.81Å; L356-F358 HydrophobicContact CB-CE2 4.17Å; L356-F358 HydrophobicContact CD1-CD2 4.24Å; L356-F358 HydrophobicContact CD1-CE2 4.39Å; L356-F358 HydrophobicContact CD2-CE2 4.15Å; L356-F358 HydrophobicContact CG-CD2 4.44Å; L356-F358 HydrophobicContact CG-CE2 4.47Å; L356-F358 PolarHBondContact O-N 3.07Å; F358-N360 VanDerWaalsContact C-N 3.32Å; F358-N360 WeakPolarHBondContact CB-OD1 3.32Å; F358-N360 PolarHBondContact O-N 3.48Å; F358-V361 HydrophobicContact CB-CB 4.31Å; F358-V361 HydrophobicContact CB-CG2 4.07Å; F358-V361 HydrophobicContact CD2-CG2 4.3Å; F358-V361 PolarHBondContact O-N 2.89Å; F358-Q362 WeakPolarHBondContact O-CG 3.43Å; F358-Q362 PolarHBondContact O-N 3.46Å; F358-P564 HydrophobicContact CD1-CB 4.41Å; F358-P564 HydrophobicContact CD2-CB 4.46Å; F358-P564 HydrophobicContact CE1-CB 3.88Å; F358-P564 HydrophobicContact CE2-CB 3.94Å; F358-P564 VanDerWaalsContact CE2-O 3.22Å; F358-P564 WeakPolarHBondContact CE2-O 3.43Å; F358-P564 HydrophobicContact CZ-CB 3.62Å; F358-P564 WeakPolarHBondContact CZ-O 3.41Å; F358-V565 HydrophobicContact CD2-CG2 4.29Å
359P91.6Very high94.2Very high98 Ų9827 Ų2764%0.63614%0.142SC*.Hα-helixtrans-54.8-42.8-174.5-29.335.5000114.5V361 Q362 I363P359-V361 PolarHBondContact O-N 3.4Å; P359-Q362 PolarHBondContact O-N 2.94Å; P359-I363 VanDerWaalsContact O-CG1 3.23Å; P359-I363 WeakPolarHBondContact O-CG1 3.41Å; P359-I363 PolarHBondContact O-N 3.35Å
360N92.9Very high94.1Very high13 Ų1329.6 Ų29.67%0.0715%0.152CC..Hα-helixtrans-61.7-42.1177.261-46.9000112.1F358 I363 V364 E461 T465 V561F358-N360 VanDerWaalsContact C-N 3.32Å; F358-N360 WeakPolarHBondContact CB-OD1 3.32Å; F358-N360 PolarHBondContact O-N 3.48Å; N360-I363 PolarHBondContact O-N 3.44Å; N360-V364 WeakPolarHBondContact O-CG2 3.39Å; N360-V364 PolarHBondContact O-N 2.99Å; N360-V364 VanDerWaalsContact O-N 3.09Å; N360-E461 HydrophobicContact CB-CG 3.98Å; N360-T465 HydrophobicContact CB-CG2 4.4Å; N360-T465 WeakPolarHBondContact ND2-CG2 3.33Å; N360-T465 PolarHBondContact ND2-OG1 2.79Å; N360-V561 VanDerWaalsContact ND2-CG1 3.26Å; N360-V561 WeakPolarHBondContact ND2-CG1 3.48Å
361V95.8Very high94Very high0 Ų028.9 Ų28.90%015%0.148CC..Hα-helixtrans-66.2-43.5174.91780000110.6A353 L356 F358 P359 I363 V364 M365 T465 L469 V565A353-V361 WeakPolarHBondContact O-CG1 3.25Å; L356-V361 HydrophobicContact CB-CB 4.42Å; L356-V361 HydrophobicContact CB-CG1 4.07Å; L356-V361 HydrophobicContact CD1-CG1 4.25Å; L356-V361 HydrophobicContact CD1-CG2 4.2Å; F358-V361 HydrophobicContact CB-CB 4.31Å; F358-V361 HydrophobicContact CB-CG2 4.07Å; F358-V361 HydrophobicContact CD2-CG2 4.3Å; F358-V361 PolarHBondContact O-N 2.89Å; P359-V361 PolarHBondContact O-N 3.4Å; V361-I363 VanDerWaalsContact C-N 3.29Å; V361-I363 PolarHBondContact O-N 3.25Å; V361-V364 WeakPolarHBondContact O-CB 3.17Å; V361-V364 PolarHBondContact O-N 2.64Å; V361-V364 VanDerWaalsContact O-N 3.11Å; V361-M365 HydrophobicContact CG1-CG 4.33Å; V361-M365 WeakPolarHBondContact O-CG 3.46Å; V361-M365 PolarHBondContact O-N 3.44Å; V361-T465 HydrophobicContact CG2-CG2 3.9Å; V361-L469 HydrophobicContact CG1-CD1 4.2Å; V361-L469 HydrophobicContact CG1-CD2 4.42Å; V361-L469 HydrophobicContact CG2-CD1 4.5Å; V361-L469 HydrophobicContact CG2-CD2 4.48Å; V361-V565 HydrophobicContact CG2-CG2 3.8Å
362Q94.3Very high93.9Very high36 Ų3630.8 Ų30.817%0.16816%0.16CC..Hα-helixtrans-62.7-35.9178.2-67.4-60.6-35.100112.3N354 L356 F358 P359 M365 E366N354-Q362 PolarHBondContact O-NE2 2.83Å; L356-Q362 PolarHBondContact O-NE2 3.29Å; F358-Q362 WeakPolarHBondContact O-CG 3.43Å; F358-Q362 PolarHBondContact O-N 3.46Å; P359-Q362 PolarHBondContact O-N 2.94Å; Q362-M365 PolarHBondContact O-N 2.85Å; Q362-E366 WeakPolarHBondContact O-CB 3.12Å; Q362-E366 PolarHBondContact O-N 2.86Å
363I94.7Very high93.5Very high73 Ų7334.4 Ų34.437%0.37419%0.185SC..Hα-helixtrans-63.9-44.5172.3-69.9163.2000110.8P359 N360 V361 M365 E366 N367 V462P359-I363 VanDerWaalsContact O-CG1 3.23Å; P359-I363 WeakPolarHBondContact O-CG1 3.41Å; P359-I363 PolarHBondContact O-N 3.35Å; N360-I363 PolarHBondContact O-N 3.44Å; V361-I363 VanDerWaalsContact C-N 3.29Å; V361-I363 PolarHBondContact O-N 3.25Å; I363-M365 VanDerWaalsContact C-N 3.35Å; I363-M365 PolarHBondContact O-N 3.44Å; I363-E366 PolarHBondContact O-N 3.46Å; I363-N367 WeakPolarHBondContact O-CB 3.39Å; I363-N367 VanDerWaalsContact O-CG 3.28Å; I363-N367 PolarHBondContact O-N 3.07Å; I363-N367 PolarHBondContact O-ND2 3.48Å; I363-V462 HydrophobicContact CG2-CG2 3.78Å
364V96.6Very high93.4Very high2 Ų235.3 Ų35.31%0.01219%0.189CC..Hα-helixtrans-57.8-48.7174.8172.40000110.9N360 V361 E366 N367 L368 F417 V462 T465 V466 L469N360-V364 WeakPolarHBondContact O-CG2 3.39Å; N360-V364 PolarHBondContact O-N 2.99Å; N360-V364 VanDerWaalsContact O-N 3.09Å; V361-V364 WeakPolarHBondContact O-CB 3.17Å; V361-V364 PolarHBondContact O-N 2.64Å; V361-V364 VanDerWaalsContact O-N 3.11Å; V364-E366 VanDerWaalsContact C-N 3.33Å; V364-E366 PolarHBondContact O-N 2.91Å; V364-N367 PolarHBondContact O-N 2.9Å; V364-L368 HydrophobicContact CG1-CD1 4.23Å; V364-L368 WeakPolarHBondContact O-CG 3.44Å; V364-L368 PolarHBondContact O-N 3.45Å; V364-F417 HydrophobicContact CG1-CD1 4.48Å; V364-F417 HydrophobicContact CG1-CE1 3.96Å; V364-V462 HydrophobicContact CG2-CG1 4.14Å; V364-T465 HydrophobicContact CG2-CG2 3.82Å; V364-V466 HydrophobicContact CB-CG2 4.42Å; V364-V466 HydrophobicContact CG1-CG2 3.66Å; V364-V466 HydrophobicContact CG2-CG2 3.81Å; V364-L469 HydrophobicContact CB-CD1 4.49Å; V364-L469 HydrophobicContact CG1-CD1 4.16Å
365M95.4Very high93.2Very high6 Ų636.1 Ų36.13%0.0319%0.193CC..Hα-helixtrans-66-35.4-179.1-62.2-50.7-68.600112.2I350 A353 N354 V361 Q362 I363 L368 R369 F417I350-M365 HydrophobicContact CG2-CE 3.99Å; A353-M365 HydrophobicContact CB-CE 4.16Å; A353-M365 HydrophobicContact CB-CG 4.42Å; A353-M365 HydrophobicContact CB-SD 3.7Å; N354-M365 WeakPolarHBondContact OD1-CE 3.41Å; V361-M365 HydrophobicContact CG1-CG 4.33Å; V361-M365 WeakPolarHBondContact O-CG 3.46Å; V361-M365 PolarHBondContact O-N 3.44Å; Q362-M365 PolarHBondContact O-N 2.85Å; I363-M365 VanDerWaalsContact C-N 3.35Å; I363-M365 PolarHBondContact O-N 3.44Å; M365-L368 HydrophobicContact CE-CD1 4.45Å; M365-L368 PolarHBondContact O-N 3.2Å; M365-L368 HydrophobicContact SD-CD1 3.98Å; M365-R369 WeakPolarHBondContact O-CG 3.45Å; M365-R369 PolarHBondContact O-N 2.94Å; M365-R369 VanDerWaalsContact O-N 3.16Å; M365-F417 HydrophobicContact SD-CE1 4.05Å; M365-F417 HydrophobicContact SD-CZ 3.78Å
366E94.1Very high92.9Very high84 Ų8442.4 Ų42.439%0.39322%0.219SC..Hα-helixtrans-68.3-44173.5179.754.7-15400112.2Q362 I363 V364 L368 R369 R370Q362-E366 WeakPolarHBondContact O-CB 3.12Å; Q362-E366 PolarHBondContact O-N 2.86Å; I363-E366 PolarHBondContact O-N 3.46Å; V364-E366 VanDerWaalsContact C-N 3.33Å; V364-E366 PolarHBondContact O-N 2.91Å; E366-L368 VanDerWaalsContact C-N 3.27Å; E366-L368 PolarHBondContact O-N 2.8Å; E366-R369 PolarHBondContact O-N 2.91Å; E366-R369 VanDerWaalsContact O-N 3.11Å; E366-R369 IonicContact OE2-CZ 3.14Å; E366-R369 IonicContact OE2-NH1 2.97Å; E366-R369 PolarHBondContact OE2-NH1 3.28Å; E366-R370 HydrophobicContact CG-CG 4.47Å; E366-R370 WeakPolarHBondContact O-CG 3.28Å; E366-R370 PolarHBondContact O-N 2.95Å; E366-R370 WeakPolarHBondContact OE1-CG 3.36Å
367N95.1Very high92.5Very high6 Ų646 Ų463%0.03224%0.241CC..Hα-helixtrans-57.8-42.2174.2-75.3-24.4000111.3I363 V364 R369 R370 I371 S456 I457I363-N367 WeakPolarHBondContact O-CB 3.39Å; I363-N367 VanDerWaalsContact O-CG 3.28Å; I363-N367 PolarHBondContact O-N 3.07Å; I363-N367 PolarHBondContact O-ND2 3.48Å; V364-N367 PolarHBondContact O-N 2.9Å; N367-R369 PolarHBondContact O-N 2.95Å; N367-R370 PolarHBondContact O-N 3.31Å; N367-I371 WeakPolarHBondContact O-CB 3.15Å; N367-I371 WeakPolarHBondContact O-CD1 3.29Å; N367-I371 WeakPolarHBondContact O-CG1 3.31Å; N367-I371 PolarHBondContact O-N 3.4Å; N367-S456 PolarHBondContact ND2-OG 2.81Å; N367-S456 WeakPolarHBondContact OD1-CB 3.3Å; N367-S456 PolarHBondContact OD1-OG 3.18Å; N367-I457 HydrophobicContact CB-CG2 3.99Å
368L94.9Very high92.3Very high5 Ų546.3 Ų46.33%0.02624%0.244CC..Hα-helixtrans-58.5-45.2174.3-78.7167.7000112.1V364 M365 E366 I371 T372 W410 I416 F417 L420V364-L368 HydrophobicContact CG1-CD1 4.23Å; V364-L368 WeakPolarHBondContact O-CG 3.44Å; V364-L368 PolarHBondContact O-N 3.45Å; M365-L368 HydrophobicContact CE-CD1 4.45Å; M365-L368 PolarHBondContact O-N 3.2Å; M365-L368 HydrophobicContact SD-CD1 3.98Å; E366-L368 VanDerWaalsContact C-N 3.27Å; E366-L368 PolarHBondContact O-N 2.8Å; L368-I371 PolarHBondContact O-N 3.37Å; L368-T372 PolarHBondContact O-N 3Å; L368-T372 PolarHBondContact O-OG1 3.39Å; L368-W410 HydrophobicContact CD2-CH2 3.74Å; L368-W410 HydrophobicContact CD2-CZ3 4Å; L368-I416 HydrophobicContact CD1-CD1 3.72Å; L368-I416 HydrophobicContact CD1-CG1 4.17Å; L368-I416 HydrophobicContact CD2-CD1 3.94Å; L368-I416 HydrophobicContact CD2-CG1 3.95Å; L368-I416 HydrophobicContact CG-CD1 4.32Å; L368-F417 HydrophobicContact CD1-CE1 3.94Å; L368-L420 HydrophobicContact CD2-CD1 4.36Å; L368-L420 HydrophobicContact CD2-CD2 3.9Å; L368-L420 HydrophobicContact CD2-CG 4.49Å; L368-L420 HydrophobicContact CG-CD2 4.29Å
369R91.3Very high92.2Very high61 Ų6149 Ų4923%0.2326%0.256CS..Hα-helixtrans-62.5-44.5176.2-68.1176.1-144.1115.67.1112.2N354 M365 E366 N367 I371 T372 S373N354-R369 PolarHBondContact OD1-NH2 2.94Å; M365-R369 WeakPolarHBondContact O-CG 3.45Å; M365-R369 PolarHBondContact O-N 2.94Å; M365-R369 VanDerWaalsContact O-N 3.16Å; E366-R369 PolarHBondContact O-N 2.91Å; E366-R369 VanDerWaalsContact O-N 3.11Å; E366-R369 IonicContact OE2-CZ 3.14Å; E366-R369 IonicContact OE2-NH1 2.97Å; E366-R369 PolarHBondContact OE2-NH1 3.28Å; N367-R369 PolarHBondContact O-N 2.95Å; R369-I371 VanDerWaalsContact C-N 3.34Å; R369-T372 PolarHBondContact O-N 2.95Å; R369-S373 PolarHBondContact O-N 2.95Å
370R92.8Very high92.2Very high58 Ų5844.5 Ų44.522%0.21923%0.227CC..Hα-helixtrans-61.2-44.1177.5-68174.968.1-1576111E366 N367 S373 F374 S452 I453E366-R370 HydrophobicContact CG-CG 4.47Å; E366-R370 WeakPolarHBondContact O-CG 3.28Å; E366-R370 PolarHBondContact O-N 2.95Å; E366-R370 WeakPolarHBondContact OE1-CG 3.36Å; N367-R370 PolarHBondContact O-N 3.31Å; R370-S373 PolarHBondContact O-N 3.23Å; R370-F374 WeakPolarHBondContact O-CB 3.37Å; R370-F374 PolarHBondContact O-N 3.05Å; R370-S452 VanDerWaalsContact NH2-CB 3.28Å; R370-S452 PolarHBondContact NH2-OG 3.47Å; R370-I453 HydrophobicContact CB-CD1 3.98Å; R370-I453 HydrophobicContact CB-CG1 4.08Å
371I94Very high92.2Very high3 Ų345.4 Ų45.42%0.01523%0.231CC..Hα-helixtrans-59.4-50.8173.7-71.9165.4000110.4N367 L368 R369 S373 F374 F375 W410 L420 L427 I453 I457N367-I371 WeakPolarHBondContact O-CB 3.15Å; N367-I371 WeakPolarHBondContact O-CD1 3.29Å; N367-I371 WeakPolarHBondContact O-CG1 3.31Å; N367-I371 PolarHBondContact O-N 3.4Å; L368-I371 PolarHBondContact O-N 3.37Å; R369-I371 VanDerWaalsContact C-N 3.34Å; I371-S373 VanDerWaalsContact C-N 3.29Å; I371-S373 PolarHBondContact O-N 3.25Å; I371-F374 PolarHBondContact O-N 2.84Å; I371-F375 HydrophobicContact CG2-CD2 3.77Å; I371-F375 HydrophobicContact CG2-CE2 3.95Å; I371-F375 VanDerWaalsContact O-CD2 3.27Å; I371-F375 WeakPolarHBondContact O-CD2 3.43Å; I371-F375 PolarHBondContact O-N 3.4Å; I371-F375 VanDerWaalsContact O-N 3.1Å; I371-W410 HydrophobicContact CG2-CZ2 4.18Å; I371-L420 HydrophobicContact CD1-CD1 4.31Å; I371-L427 HydrophobicContact CD1-CD1 4.16Å; I371-L427 HydrophobicContact CG2-CD2 4.46Å; I371-I453 HydrophobicContact CD1-CG2 4.46Å; I371-I453 HydrophobicContact CG1-CG2 3.84Å; I371-I457 HydrophobicContact CD1-CG2 4.22Å
372T91.2Very high92Very high47 Ų4749 Ų4929%0.28825%0.251SS..Hα-helixtrans-55-46.7177.9-570000111L368 R369 K376 T411L368-T372 PolarHBondContact O-N 3Å; L368-T372 PolarHBondContact O-OG1 3.39Å; R369-T372 PolarHBondContact O-N 2.95Å; T372-K376 WeakPolarHBondContact O-CG 3.45Å; T372-T411 WeakPolarHBondContact OG1-CB 3.49Å; T372-T411 WeakPolarHBondContact OG1-CG2 3.36Å; T372-T411 PolarHBondContact OG1-OG1 3.02Å; T372-T411 VanDerWaalsContact OG1-OG1 3.06Å
373S89.1Confident92.1Very high75 Ų7548.2 Ų48.252%0.52425%0.247SC..Hα-helixtrans-67.3-41.8-180-167.90000112.5R369 R370 I371 F375 K376R369-S373 PolarHBondContact O-N 2.95Å; R370-S373 PolarHBondContact O-N 3.23Å; I371-S373 VanDerWaalsContact C-N 3.29Å; I371-S373 PolarHBondContact O-N 3.25Å; S373-F375 VanDerWaalsContact C-N 3.33Å; S373-F375 PolarHBondContact O-N 2.98Å; S373-K376 WeakPolarHBondContact O-CB 3.43Å; S373-K376 PolarHBondContact O-N 3.47Å
374F92.2Very high92.1Very high20 Ų2044.9 Ų44.99%0.08823%0.229CC..Hα-helixtrans-63.2-37.8-177.2-174.4-96000112.5R370 I371 T380 M431 I434 V446 D449 A450 I453R370-F374 WeakPolarHBondContact O-CB 3.37Å; R370-F374 PolarHBondContact O-N 3.05Å; I371-F374 PolarHBondContact O-N 2.84Å; F374-T380 HydrophobicContact CD1-CG2 4.37Å; F374-T380 HydrophobicContact CE1-CG2 3.83Å; F374-T380 HydrophobicContact CZ-CG2 3.92Å; F374-T380 PolarHBondContact O-OG1 2.92Å; F374-M431 HydrophobicContact CD1-CE 4.02Å; F374-M431 HydrophobicContact CD1-SD 4.42Å; F374-M431 HydrophobicContact CE1-CE 4.07Å; F374-M431 HydrophobicContact CE1-SD 3.93Å; F374-M431 HydrophobicContact CZ-SD 4.27Å; F374-I434 HydrophobicContact CE1-CD1 3.66Å; F374-I434 HydrophobicContact CZ-CD1 3.78Å; F374-I434 HydrophobicContact CZ-CG2 4.29Å; F374-V446 HydrophobicContact CE2-CG1 3.81Å; F374-V446 HydrophobicContact CZ-CG1 3.91Å; F374-D449 HydrophobicContact CD2-CB 4.14Å; F374-D449 HydrophobicContact CE2-CB 4.05Å; F374-A450 HydrophobicContact CE2-CB 4.19Å; F374-A450 HydrophobicContact CZ-CB 3.83Å; F374-I453 HydrophobicContact CB-CD1 3.98Å; F374-I453 HydrophobicContact CD2-CD1 4.07Å; F374-I453 HydrophobicContact CG-CD1 4.06Å
375F91.7Very high92Very high20 Ų2046.8 Ų46.89%0.08824%0.24CC..THydrogen-bonded Turntrans-90.48.9-179.4-68.2-63.9000114.7I371 S373 T377 T380 L384 L427 M431I371-F375 HydrophobicContact CG2-CD2 3.77Å; I371-F375 HydrophobicContact CG2-CE2 3.95Å; I371-F375 VanDerWaalsContact O-CD2 3.27Å; I371-F375 WeakPolarHBondContact O-CD2 3.43Å; I371-F375 PolarHBondContact O-N 3.4Å; I371-F375 VanDerWaalsContact O-N 3.1Å; S373-F375 VanDerWaalsContact C-N 3.33Å; S373-F375 PolarHBondContact O-N 2.98Å; F375-T377 PolarHBondContact O-N 3.37Å; F375-T380 WeakPolarHBondContact CD1-O 3.22Å; F375-T380 WeakPolarHBondContact CE1-O 3.36Å; F375-L384 HydrophobicContact CD1-CB 4.06Å; F375-L384 HydrophobicContact CD1-CD2 4.04Å; F375-L384 HydrophobicContact CD2-CD2 4.16Å; F375-L384 HydrophobicContact CE1-CB 3.66Å; F375-L384 HydrophobicContact CE1-CD2 4.02Å; F375-L384 HydrophobicContact CE1-CG 4.33Å; F375-L384 HydrophobicContact CE2-CD2 4.13Å; F375-L384 HydrophobicContact CG-CD2 4.12Å; F375-L384 HydrophobicContact CZ-CB 4.19Å; F375-L384 HydrophobicContact CZ-CD1 4.39Å; F375-L384 HydrophobicContact CZ-CD2 4.05Å; F375-L384 HydrophobicContact CZ-CG 4.45Å; F375-L427 HydrophobicContact CD2-CD2 4.49Å; F375-L427 HydrophobicContact CE2-CD2 3.48Å; F375-L427 VanDerWaalsContact CE2-CD2 3.48Å; F375-L427 HydrophobicContact CZ-CD2 3.85Å; F375-M431 HydrophobicContact CE2-CE 3.59Å; F375-M431 HydrophobicContact CZ-CE 3.46Å; F375-M431 VanDerWaalsContact CZ-CE 3.46Å
376K85Confident92Very high149 Ų14951.5 Ų51.565%0.64826%0.26SS*.THydrogen-bonded Turntrans-66.7-23170.1-72-177.6178.9-179.80113.1T372 S373T372-K376 WeakPolarHBondContact O-CG 3.45Å; S373-K376 WeakPolarHBondContact O-CB 3.43Å; S373-K376 PolarHBondContact O-N 3.47Å
377T85.6Confident92.1Very high75 Ų7547.7 Ų47.746%0.4624%0.243SC..SBendtrans-86.6133-177.8-55.30000110.1F375 H379 T380 Q381F375-T377 PolarHBondContact O-N 3.37Å; T377-H379 VanDerWaalsContact C-N 3.26Å; T377-H379 HydrophobicContact CG2-CB 4.49Å; T377-H379 PolarHBondContact O-N 2.91Å; T377-T380 PolarHBondContact O-N 2.91Å; T377-T380 PolarHBondContact O-OG1 3Å; T377-Q381 PolarHBondContact O-N 3.34Å; T377-Q381 VanDerWaalsContact O-N 3.14Å
378P87.9Confident92.1Very high90 Ų9047.4 Ų47.458%0.58424%0.241SC*.Hα-helixtrans-54.1-41.3-178.5-28.434.9000113.6T380 Q381 D382P378-T380 PolarHBondContact O-N 2.94Å; P378-Q381 PolarHBondContact O-N 3.1Å; P378-D382 PolarHBondContact O-N 2.87Å
379H89.6Confident92.1Very high108 Ų10849.7 Ų49.750%0.526%0.258SS..Hα-helixtrans-65.2-33.8-177.5-67.5-40.1000114.7T377 K441 F442T377-H379 VanDerWaalsContact C-N 3.26Å; T377-H379 HydrophobicContact CG2-CB 4.49Å; T377-H379 PolarHBondContact O-N 2.91Å; H379-K441 PolarHBondContact O-NZ 2.96Å; H379-F442 HydrophobicContact CB-CE1 4.35Å
380T91.7Very high92.3Very high4 Ų451.1 Ų51.13%0.02527%0.269CS..Hα-helixtrans-78.8-36.8176.250.80000110.5F374 F375 T377 P378 E383 L384 I434 F442 V446F374-T380 HydrophobicContact CD1-CG2 4.37Å; F374-T380 HydrophobicContact CE1-CG2 3.83Å; F374-T380 HydrophobicContact CZ-CG2 3.92Å; F374-T380 PolarHBondContact O-OG1 2.92Å; F375-T380 WeakPolarHBondContact CD1-O 3.22Å; F375-T380 WeakPolarHBondContact CE1-O 3.36Å; T377-T380 PolarHBondContact O-N 2.91Å; T377-T380 PolarHBondContact O-OG1 3Å; P378-T380 PolarHBondContact O-N 2.94Å; T380-E383 PolarHBondContact O-N 2.77Å; T380-L384 PolarHBondContact O-N 2.91Å; T380-L384 VanDerWaalsContact O-N 3.13Å; T380-I434 HydrophobicContact CG2-CD1 4.32Å; T380-F442 HydrophobicContact CG2-CE1 4.17Å; T380-V446 HydrophobicContact CG2-CG1 4.13Å
381Q92.9Very high92.3Very high31 Ų3152.5 Ų52.515%0.14528%0.278CS..Hα-helixtrans-62.3-40.7173.5-175.35942.200112.1T377 P378 E383 L384 D385T377-Q381 PolarHBondContact O-N 3.34Å; T377-Q381 VanDerWaalsContact O-N 3.14Å; P378-Q381 PolarHBondContact O-N 3.1Å; Q381-E383 VanDerWaalsContact C-N 3.3Å; Q381-E383 PolarHBondContact O-N 2.62Å; Q381-L384 WeakPolarHBondContact O-CB 3.4Å; Q381-L384 PolarHBondContact O-N 3.39Å; Q381-D385 PolarHBondContact NE2-OD1 3.48Å; Q381-D385 PolarHBondContact O-N 3.4Å
382D93.1Very high92.3Very high77 Ų7753.9 Ų53.941%0.41228%0.284SS..Hα-helixtrans-59.6-39.7176.1-70.2-24.7000112.1P378 D385 K386P378-D382 PolarHBondContact O-N 2.87Å; D382-D385 PolarHBondContact O-N 3.35Å; D382-K386 WeakPolarHBondContact O-CG 3.49Å; D382-K386 PolarHBondContact O-N 3.2Å
383E94.8Very high92.2Very high19 Ų1958.1 Ų58.19%0.08930%0.3CS..Hα-helixtrans-69.3-37176.5-64.6-47.9141.500112.1T380 Q381 D385 K386 A387 I434 K441 F442T380-E383 PolarHBondContact O-N 2.77Å; Q381-E383 VanDerWaalsContact C-N 3.3Å; Q381-E383 PolarHBondContact O-N 2.62Å; E383-D385 VanDerWaalsContact C-N 3.33Å; E383-D385 PolarHBondContact O-N 2.81Å; E383-K386 VanDerWaalsContact CD-NZ 3.32Å; E383-K386 PolarHBondContact O-N 2.89Å; E383-K386 IonicContact OE1-NZ 3.69Å; E383-K386 PolarHBondContact OE1-NZ 2.96Å; E383-K386 WeakPolarHBondContact OE2-CD 3.39Å; E383-K386 IonicContact OE2-NZ 2.77Å; E383-K386 PolarHBondContact OE2-NZ 3.45Å; E383-K386 VanDerWaalsContact OE2-NZ 3.14Å; E383-A387 WeakPolarHBondContact O-CB 3.28Å; E383-A387 PolarHBondContact O-N 3.36Å; E383-I434 HydrophobicContact CB-CD1 4.32Å; E383-I434 HydrophobicContact CB-CG1 4.34Å; E383-I434 HydrophobicContact CG-CG1 4.27Å; E383-K441 IonicContact OE1-NZ 3.06Å; E383-K441 PolarHBondContact OE1-NZ 3.21Å; E383-F442 HydrophobicContact CG-CE2 4.05Å; E383-F442 HydrophobicContact CG-CZ 3.49Å; E383-F442 VanDerWaalsContact CG-CZ 3.49Å
384L95.1Very high92.3Very high2 Ų264.8 Ų64.81%0.0132%0.32CS..Hα-helixtrans-61.2-44.5173.1-179.957.2000111.1F375 T380 Q381 K386 A387 I388 C406 L427 C430F375-L384 HydrophobicContact CD1-CB 4.06Å; F375-L384 HydrophobicContact CD1-CD2 4.04Å; F375-L384 HydrophobicContact CD2-CD2 4.16Å; F375-L384 HydrophobicContact CE1-CB 3.66Å; F375-L384 HydrophobicContact CE1-CD2 4.02Å; F375-L384 HydrophobicContact CE1-CG 4.33Å; F375-L384 HydrophobicContact CE2-CD2 4.13Å; F375-L384 HydrophobicContact CG-CD2 4.12Å; F375-L384 HydrophobicContact CZ-CB 4.19Å; F375-L384 HydrophobicContact CZ-CD1 4.39Å; F375-L384 HydrophobicContact CZ-CD2 4.05Å; F375-L384 HydrophobicContact CZ-CG 4.45Å; T380-L384 PolarHBondContact O-N 2.91Å; T380-L384 VanDerWaalsContact O-N 3.13Å; Q381-L384 WeakPolarHBondContact O-CB 3.4Å; Q381-L384 PolarHBondContact O-N 3.39Å; L384-K386 VanDerWaalsContact C-N 3.31Å; L384-K386 PolarHBondContact O-N 3.09Å; L384-A387 PolarHBondContact O-N 2.93Å; L384-I388 HydrophobicContact CD1-CD1 4.17Å; L384-I388 HydrophobicContact CD1-CG1 4.25Å; L384-I388 HydrophobicContact CG-CD1 3.98Å; L384-I388 HydrophobicContact CG-CG1 4.49Å; L384-I388 VanDerWaalsContact O-CG1 3.29Å; L384-I388 WeakPolarHBondContact O-CG1 3.42Å; L384-I388 PolarHBondContact O-N 2.99Å; L384-C406 HydrophobicContact CD2-CB 4.45Å; L384-L427 HydrophobicContact CD1-CD2 3.8Å; L384-L427 HydrophobicContact CD1-CG 4.4Å; L384-L427 HydrophobicContact CD2-CD2 4.35Å; L384-C430 HydrophobicContact CD1-CB 4.35Å; L384-C430 PolarHBondContact N-SG 3.31Å
385D95.1Very high92.4Very high43 Ų4367.5 Ų67.523%0.2334%0.336CS..Hα-helixtrans-62.5-38177.5-81.213.5000112Q381 D382 E383 S389 K403Q381-D385 PolarHBondContact NE2-OD1 3.48Å; Q381-D385 PolarHBondContact O-N 3.4Å; D382-D385 PolarHBondContact O-N 3.35Å; E383-D385 VanDerWaalsContact C-N 3.33Å; E383-D385 PolarHBondContact O-N 2.81Å; D385-S389 PolarHBondContact O-N 2.95Å; D385-K403 HydrophobicContact CB-CD 4.22Å; D385-K403 HydrophobicContact CB-CG 4.43Å; D385-K403 WeakPolarHBondContact O-CE 3.22Å; D385-K403 PolarHBondContact O-NZ 2.96Å
386K94.6Very high92.4Very high104 Ų10473.3 Ų73.345%0.45236%0.363SS..Hα-helixtrans-65.1-46.1172.4-70175.7-160.1165.80111.5D382 E383 L384 I388 S389 I390D382-K386 WeakPolarHBondContact O-CG 3.49Å; D382-K386 PolarHBondContact O-N 3.2Å; E383-K386 VanDerWaalsContact CD-NZ 3.32Å; E383-K386 PolarHBondContact O-N 2.89Å; E383-K386 IonicContact OE1-NZ 3.69Å; E383-K386 PolarHBondContact OE1-NZ 2.96Å; E383-K386 WeakPolarHBondContact OE2-CD 3.39Å; E383-K386 IonicContact OE2-NZ 2.77Å; E383-K386 PolarHBondContact OE2-NZ 3.45Å; E383-K386 VanDerWaalsContact OE2-NZ 3.14Å; L384-K386 VanDerWaalsContact C-N 3.31Å; L384-K386 PolarHBondContact O-N 3.09Å; K386-I388 VanDerWaalsContact C-N 3.32Å; K386-I388 PolarHBondContact O-N 2.95Å; K386-S389 WeakPolarHBondContact O-CA 3.31Å; K386-S389 VanDerWaalsContact O-CB 3.31Å; K386-S389 WeakPolarHBondContact O-CB 3.16Å; K386-S389 PolarHBondContact O-N 3.24Å; K386-S389 VanDerWaalsContact O-N 3.09Å; K386-I390 WeakPolarHBondContact O-CG1 3.49Å; K386-I390 PolarHBondContact O-N 3.22Å
387A96.1Very high92.8Very high4 Ų474 Ų743%0.03337%0.369CS..Hα-helixtrans-62.1-39.217900000112.2E383 L384 I390 Q391 S426 L429 C430E383-A387 WeakPolarHBondContact O-CB 3.28Å; E383-A387 PolarHBondContact O-N 3.36Å; L384-A387 PolarHBondContact O-N 2.93Å; A387-I390 PolarHBondContact O-N 3.48Å; A387-Q391 WeakPolarHBondContact O-CB 3.45Å; A387-Q391 PolarHBondContact O-N 3.25Å; A387-S426 VanDerWaalsContact CB-O 3.28Å; A387-S426 WeakPolarHBondContact CB-O 3.43Å; A387-L429 HydrophobicContact CB-CB 4.34Å; A387-L429 HydrophobicContact CB-CD2 4.11Å; A387-L429 HydrophobicContact CB-CG 4.22Å; A387-C430 HydrophobicContact CB-CB 3.83Å
388I96.1Very high93.1Very high0 Ų074.1 Ų74.10%036%0.363CS..Hα-helixtrans-62-46.2171.5-67.6168000110.2L384 K386 I390 Q391 F392 G399 L402 K403L384-I388 HydrophobicContact CD1-CD1 4.17Å; L384-I388 HydrophobicContact CD1-CG1 4.25Å; L384-I388 HydrophobicContact CG-CD1 3.98Å; L384-I388 HydrophobicContact CG-CG1 4.49Å; L384-I388 VanDerWaalsContact O-CG1 3.29Å; L384-I388 WeakPolarHBondContact O-CG1 3.42Å; L384-I388 PolarHBondContact O-N 2.99Å; K386-I388 VanDerWaalsContact C-N 3.32Å; K386-I388 PolarHBondContact O-N 2.95Å; I388-I390 VanDerWaalsContact C-N 3.3Å; I388-I390 PolarHBondContact O-N 3.47Å; I388-Q391 PolarHBondContact O-N 3.18Å; I388-F392 HydrophobicContact CG2-CD2 3.93Å; I388-F392 WeakPolarHBondContact O-CB 3.1Å; I388-F392 WeakPolarHBondContact O-CD2 3.39Å; I388-F392 PolarHBondContact O-N 3.5Å; I388-G399 WeakPolarHBondContact CG2-O 3.39Å; I388-L402 HydrophobicContact CG2-CB 4.27Å; I388-K403 HydrophobicContact CB-CG 4.26Å; I388-K403 HydrophobicContact CD1-CG 4.21Å; I388-K403 HydrophobicContact CG2-CG 3.91Å
389S95.6Very high93.3Very high54 Ų5469.9 Ų69.938%0.37834%0.336SS..Hα-helixtrans-58-40.9176.1-980000113D385 K386 Q393 K403D385-S389 PolarHBondContact O-N 2.95Å; K386-S389 WeakPolarHBondContact O-CA 3.31Å; K386-S389 VanDerWaalsContact O-CB 3.31Å; K386-S389 WeakPolarHBondContact O-CB 3.16Å; K386-S389 PolarHBondContact O-N 3.24Å; K386-S389 VanDerWaalsContact O-N 3.09Å; S389-Q393 WeakPolarHBondContact O-CG 3.39Å; S389-Q393 PolarHBondContact O-N 2.69Å; S389-K403 WeakPolarHBondContact OG-CE 3.47Å; S389-K403 PolarHBondContact OG-NZ 2.91Å
390I94.6Very high93.5Very high91 Ų9169.3 Ų69.347%0.46734%0.336SS..Hα-helixtrans-66.4-46.1178.9-67.4163.9000110.8K386 A387 I388 F392 Q393 L429K386-I390 WeakPolarHBondContact O-CG1 3.49Å; K386-I390 PolarHBondContact O-N 3.22Å; A387-I390 PolarHBondContact O-N 3.48Å; I388-I390 VanDerWaalsContact C-N 3.3Å; I388-I390 PolarHBondContact O-N 3.47Å; I390-F392 VanDerWaalsContact C-N 3.34Å; I390-F392 PolarHBondContact O-N 3Å; I390-Q393 WeakPolarHBondContact O-CG 3.48Å; I390-L429 HydrophobicContact CB-CD2 4.05Å; I390-L429 HydrophobicContact CD1-CD2 4.36Å; I390-L429 HydrophobicContact CG2-CD2 3.85Å
391Q93Very high93.5Very high87 Ų8771.6 Ų71.641%0.40736%0.355SS..Hα-helixtrans-68.4-35.1-177.9-167.466.38.700112.5A387 I388 P425 S426A387-Q391 WeakPolarHBondContact O-CB 3.45Å; A387-Q391 PolarHBondContact O-N 3.25Å; I388-Q391 PolarHBondContact O-N 3.18Å; Q391-P425 HydrophobicContact CG-CB 4.3Å; Q391-S426 VanDerWaalsContact CB-OG 3.26Å; Q391-S426 WeakPolarHBondContact CB-OG 3.44Å
392F92.8Very high93.5Very high32 Ų3270.3 Ų70.314%0.1435%0.35CS..THydrogen-bonded Turntrans-105.124.3-174.9-66.6-85.4000113.9I388 I390 K394 N395 E396 K398 L402I388-F392 HydrophobicContact CG2-CD2 3.93Å; I388-F392 WeakPolarHBondContact O-CB 3.1Å; I388-F392 WeakPolarHBondContact O-CD2 3.39Å; I388-F392 PolarHBondContact O-N 3.5Å; I390-F392 VanDerWaalsContact C-N 3.34Å; I390-F392 PolarHBondContact O-N 3Å; F392-K394 PolarHBondContact O-N 3.12Å; F392-N395 CarbonylContact O-C 3.52Å; F392-N395 PolarHBondContact O-N 3.42Å; F392-E396 PolarHBondContact O-N 3.35Å; F392-K398 HydrophobicContact CD1-CB 4.32Å; F392-K398 HydrophobicContact CD1-CD 4.16Å; F392-K398 HydrophobicContact CD1-CG 4.11Å; F392-K398 HydrophobicContact CE1-CD 3.7Å; F392-K398 HydrophobicContact CE1-CG 3.98Å; F392-L402 HydrophobicContact CD2-CD1 4.16Å; F392-L402 HydrophobicContact CE1-CD1 4.04Å; F392-L402 HydrophobicContact CE2-CD1 3.5Å; F392-L402 VanDerWaalsContact CE2-CD1 3.5Å; F392-L402 HydrophobicContact CZ-CD1 3.43Å; F392-L402 VanDerWaalsContact CZ-CD1 3.43Å
393Q91Very high93.5Very high135 Ų13568.6 Ų68.663%0.63134%0.338SS*.THydrogen-bonded Turntrans-52.9-31.5177.5-73.4176.54.700113.8S389 I390S389-Q393 WeakPolarHBondContact O-CG 3.39Å; S389-Q393 PolarHBondContact O-N 2.69Å; I390-Q393 WeakPolarHBondContact O-CG 3.48Å
394K91Very high93.4Very high216 Ų21675 Ų7594%0.93937%0.366SS*.THydrogen-bonded Turntrans-85.3-9.8179.5-62-178.6-177.6175.20113.7F392F392-K394 PolarHBondContact O-N 3.12Å
395N93.4Very high93.1Very high77 Ų7777.2 Ų77.241%0.41238%0.377SS..  trans-145.671.1-178.7-171.1-13.6000109.7F392 E397 K398 G399F392-N395 CarbonylContact O-C 3.52Å; F392-N395 PolarHBondContact O-N 3.42Å; N395-E397 PolarHBondContact O-N 2.72Å; N395-K398 HydrophobicContact CB-CB 4.38Å; N395-K398 PolarHBondContact O-N 2.87Å; N395-K398 PolarHBondContact OD1-N 2.77Å; N395-K398 VanDerWaalsContact OD1-N 3.15Å; N395-G399 PolarHBondContact O-N 3.02Å
396E91.2Very high92.7Very high141 Ų14175.7 Ų75.766%0.65937%0.37SS*.Hα-helixtrans-59.8-32.3-176.7-66.4-172.6168.800112.7F392 G399 N400F392-E396 PolarHBondContact O-N 3.35Å; E396-G399 PolarHBondContact O-N 2.78Å; E396-N400 WeakPolarHBondContact O-CB 3.13Å; E396-N400 VanDerWaalsContact O-CG 3.22Å; E396-N400 PolarHBondContact O-N 3.08Å; E396-N400 PolarHBondContact O-ND2 3Å
397E93.3Very high92.1Very high165 Ų16575 Ų7577%0.77138%0.377SS*.Hα-helixtrans-60.9-49176.4-66.8-174.6173.900111.5N395 N400 A401N395-E397 PolarHBondContact O-N 2.72Å; E397-N400 PolarHBondContact O-N 3.18Å; E397-A401 WeakPolarHBondContact O-CB 3.12Å; E397-A401 PolarHBondContact O-N 3.13Å
398K92.1Very high91.4Very high76 Ų7678.1 Ų78.133%0.3340%0.399SS..Hα-helixtrans-63.9-42.6175.6-175.8171.31771780111.2F392 N395 N400 A401 L402 D422F392-K398 HydrophobicContact CD1-CB 4.32Å; F392-K398 HydrophobicContact CD1-CD 4.16Å; F392-K398 HydrophobicContact CD1-CG 4.11Å; F392-K398 HydrophobicContact CE1-CD 3.7Å; F392-K398 HydrophobicContact CE1-CG 3.98Å; N395-K398 HydrophobicContact CB-CB 4.38Å; N395-K398 PolarHBondContact O-N 2.87Å; N395-K398 PolarHBondContact OD1-N 2.77Å; N395-K398 VanDerWaalsContact OD1-N 3.15Å; K398-N400 PolarHBondContact O-N 3.08Å; K398-A401 PolarHBondContact O-N 3Å; K398-L402 HydrophobicContact CG-CD1 4.21Å; K398-L402 WeakPolarHBondContact O-CG 3.29Å; K398-L402 PolarHBondContact O-N 3.05Å; K398-D422 IonicContact NZ-OD1 3.15Å; K398-D422 PolarHBondContact NZ-OD1 3.15Å; K398-D422 IonicContact NZ-OD2 3.09Å
399G93.2Very high90.7Very high2 Ų279.6 Ų79.62%0.02141%0.414CS..Hα-helixtrans-58.1-47.9176.800000112.5I388 N395 E396 A401 L402 K403I388-G399 WeakPolarHBondContact CG2-O 3.39Å; N395-G399 PolarHBondContact O-N 3.02Å; E396-G399 PolarHBondContact O-N 2.78Å; G399-A401 PolarHBondContact O-N 3.23Å; G399-L402 PolarHBondContact O-N 3.34Å; G399-K403 WeakPolarHBondContact O-CG 3.47Å; G399-K403 PolarHBondContact O-N 3.49Å
400N92.9Very high90.3Very high95 Ų9577.6 Ų77.651%0.50840%0.399SS..Hα-helixtrans-65.9-36.9178-71.6-28.1000112.4E396 E397 K398 K403 K404E396-N400 WeakPolarHBondContact O-CB 3.13Å; E396-N400 VanDerWaalsContact O-CG 3.22Å; E396-N400 PolarHBondContact O-N 3.08Å; E396-N400 PolarHBondContact O-ND2 3Å; E397-N400 PolarHBondContact O-N 3.18Å; K398-N400 PolarHBondContact O-N 3.08Å; N400-K403 PolarHBondContact O-N 3.08Å; N400-K404 PolarHBondContact O-N 2.74Å; N400-K404 VanDerWaalsContact O-N 3.12Å
401A92.9Very high89.9Confident52 Ų5274.2 Ų74.243%0.4338%0.382SS..Hα-helixtrans-61.5-45.4173.700000111.3E397 K398 G399 K404 M405E397-A401 WeakPolarHBondContact O-CB 3.12Å; E397-A401 PolarHBondContact O-N 3.13Å; K398-A401 PolarHBondContact O-N 3Å; G399-A401 PolarHBondContact O-N 3.23Å; A401-K404 PolarHBondContact O-N 2.89Å; A401-M405 WeakPolarHBondContact O-CG 3.14Å; A401-M405 PolarHBondContact O-N 3.2Å
402L92.5Very high89.6Confident5 Ų575.6 Ų75.63%0.02639%0.389CS..Hα-helixtrans-64.4-42.7178.3-70.9172000112.4I388 F392 K398 G399 K404 M405 C406 D422 I423I388-L402 HydrophobicContact CG2-CB 4.27Å; F392-L402 HydrophobicContact CD2-CD1 4.16Å; F392-L402 HydrophobicContact CE1-CD1 4.04Å; F392-L402 HydrophobicContact CE2-CD1 3.5Å; F392-L402 VanDerWaalsContact CE2-CD1 3.5Å; F392-L402 HydrophobicContact CZ-CD1 3.43Å; F392-L402 VanDerWaalsContact CZ-CD1 3.43Å; K398-L402 HydrophobicContact CG-CD1 4.21Å; K398-L402 WeakPolarHBondContact O-CG 3.29Å; K398-L402 PolarHBondContact O-N 3.05Å; G399-L402 PolarHBondContact O-N 3.34Å; L402-K404 VanDerWaalsContact C-N 3.31Å; L402-K404 PolarHBondContact O-N 2.96Å; L402-M405 WeakPolarHBondContact O-CB 3.46Å; L402-M405 PolarHBondContact O-N 3.15Å; L402-M405 VanDerWaalsContact O-N 3.1Å; L402-C406 PolarHBondContact O-N 3.45Å; L402-C406 PolarHBondContact O-SG 3.13Å; L402-C406 VanDerWaalsContact O-SG 3.33Å; L402-D422 HydrophobicContact CD1-CB 4.39Å; L402-D422 HydrophobicContact CD2-CB 3.94Å; L402-I423 HydrophobicContact CB-CG2 4.36Å; L402-I423 HydrophobicContact CD1-CG2 4.29Å; L402-I423 HydrophobicContact CD2-CG2 3.93Å; L402-I423 HydrophobicContact CG-CG2 4.42Å
403K93.4Very high89.5Confident40 Ų4077 Ų7717%0.17440%0.396CS..Hα-helixtrans-57.3-44.6173.9-68.6-179.3-173.1-159.50112.4D385 I388 S389 G399 N400 M405 C406 S407D385-K403 HydrophobicContact CB-CD 4.22Å; D385-K403 HydrophobicContact CB-CG 4.43Å; D385-K403 WeakPolarHBondContact O-CE 3.22Å; D385-K403 PolarHBondContact O-NZ 2.96Å; I388-K403 HydrophobicContact CB-CG 4.26Å; I388-K403 HydrophobicContact CD1-CG 4.21Å; I388-K403 HydrophobicContact CG2-CG 3.91Å; S389-K403 WeakPolarHBondContact OG-CE 3.47Å; S389-K403 PolarHBondContact OG-NZ 2.91Å; G399-K403 WeakPolarHBondContact O-CG 3.47Å; G399-K403 PolarHBondContact O-N 3.49Å; N400-K403 PolarHBondContact O-N 3.08Å; K403-M405 VanDerWaalsContact C-N 3.3Å; K403-M405 PolarHBondContact O-N 2.86Å; K403-C406 PolarHBondContact O-N 3.2Å; K403-S407 PolarHBondContact O-N 3.42Å; K403-S407 PolarHBondContact O-OG 2.99Å; K403-S407 VanDerWaalsContact O-OG 3.11Å
404K91.4Very high89.6Confident154 Ų15471 Ų7167%0.6737%0.368SS*.Hα-helixtrans-63.6-36.6176.6-174.1178.9178.1-178.80112N400 A401 L402 S407 S408N400-K404 PolarHBondContact O-N 2.74Å; N400-K404 VanDerWaalsContact O-N 3.12Å; A401-K404 PolarHBondContact O-N 2.89Å; L402-K404 VanDerWaalsContact C-N 3.31Å; L402-K404 PolarHBondContact O-N 2.96Å; K404-S407 PolarHBondContact O-OG 3.14Å; K404-S407 VanDerWaalsContact O-OG 3.09Å; K404-S408 WeakPolarHBondContact O-CB 3.2Å; K404-S408 PolarHBondContact O-N 3.07Å; K404-S408 PolarHBondContact O-OG 3.22Å
405M88.7Confident89.8Confident49 Ų4961.3 Ų61.324%0.24133%0.326CS..Hα-helixtrans-68.9-44.1175.1-70.2-176.573.200111.7A401 L402 K403 S407 S408 W410 N415 V419A401-M405 WeakPolarHBondContact O-CG 3.14Å; A401-M405 PolarHBondContact O-N 3.2Å; L402-M405 WeakPolarHBondContact O-CB 3.46Å; L402-M405 PolarHBondContact O-N 3.15Å; L402-M405 VanDerWaalsContact O-N 3.1Å; K403-M405 VanDerWaalsContact C-N 3.3Å; K403-M405 PolarHBondContact O-N 2.86Å; M405-S407 VanDerWaalsContact C-N 3.3Å; M405-S407 PolarHBondContact O-N 3.26Å; M405-S408 WeakPolarHBondContact CA-OG 3.33Å; M405-S408 PolarHBondContact O-N 3.15Å; M405-S408 VanDerWaalsContact O-N 3.13Å; M405-S408 PolarHBondContact O-OG 3.17Å; M405-W410 PolarHBondContact O-N 3.28Å; M405-N415 WeakPolarHBondContact CE-ND2 3.46Å; M405-V419 HydrophobicContact CE-CG2 3.29Å; M405-V419 HydrophobicContact SD-CG2 4.41Å
406C86.9Confident89.9Confident11 Ų1157.8 Ų57.87%0.07431%0.307CS..Hα-helixtrans-58.1-41.9176.9-70.10000112.1L384 L402 K403 S408L384-C406 HydrophobicContact CD2-CB 4.45Å; L402-C406 PolarHBondContact O-N 3.45Å; L402-C406 PolarHBondContact O-SG 3.13Å; L402-C406 VanDerWaalsContact O-SG 3.33Å; K403-C406 PolarHBondContact O-N 3.2Å; C406-S408 VanDerWaalsContact C-N 3.35Å; C406-S408 PolarHBondContact O-N 2.97Å
407S83.1Confident90.1Very high88 Ų8851.2 Ų51.262%0.61528%0.276SS*.Hα-helixtrans-75.7-16.6177.9590000115K403 K404 M405K403-S407 PolarHBondContact O-N 3.42Å; K403-S407 PolarHBondContact O-OG 2.99Å; K403-S407 VanDerWaalsContact O-OG 3.11Å; K404-S407 PolarHBondContact O-OG 3.14Å; K404-S407 VanDerWaalsContact O-OG 3.09Å; M405-S407 VanDerWaalsContact C-N 3.3Å; M405-S407 PolarHBondContact O-N 3.26Å
408S79.6Confident90.2Very high70 Ų7045 Ų4549%0.4925%0.249SC..THydrogen-bonded Turntrans-102.321.6-178560000114.4K404 M405 C406K404-S408 WeakPolarHBondContact O-CB 3.2Å; K404-S408 PolarHBondContact O-N 3.07Å; K404-S408 PolarHBondContact O-OG 3.22Å; M405-S408 WeakPolarHBondContact CA-OG 3.33Å; M405-S408 PolarHBondContact O-N 3.15Å; M405-S408 VanDerWaalsContact O-N 3.13Å; M405-S408 PolarHBondContact O-OG 3.17Å; C406-S408 VanDerWaalsContact C-N 3.35Å; C406-S408 PolarHBondContact O-N 2.97Å
409G81.6Confident90.4Very high31 Ų3141.5 Ų41.532%0.3223%0.234SC..THydrogen-bonded Turntrans73.643.3172.700000114.1T411 E412G409-T411 PolarHBondContact O-N 2.94Å; G409-E412 PolarHBondContact O-N 3.39Å
410W87.3Confident90.5Very high12 Ų1242 Ų425%0.04524%0.236CC..G310 helixtrans-52.2-25.6179.369.1-75.8000115.1L368 I371 M405 E412 Q413 I416 V419 L420 I423L368-W410 HydrophobicContact CD2-CH2 3.74Å; L368-W410 HydrophobicContact CD2-CZ3 4Å; I371-W410 HydrophobicContact CG2-CZ2 4.18Å; M405-W410 PolarHBondContact O-N 3.28Å; W410-E412 PolarHBondContact O-N 3.32Å; W410-E412 VanDerWaalsContact O-N 3.12Å; W410-Q413 WeakPolarHBondContact O-CB 3.33Å; W410-Q413 PolarHBondContact O-N 3.33Å; W410-Q413 VanDerWaalsContact O-N 3.11Å; W410-I416 HydrophobicContact CE3-CG1 3.89Å; W410-I416 HydrophobicContact CZ3-CG1 3.66Å; W410-I416 VanDerWaalsContact CZ3-O 3.27Å; W410-I416 WeakPolarHBondContact CZ3-O 3.41Å; W410-V419 HydrophobicContact CB-CG1 4.08Å; W410-V419 HydrophobicContact CD2-CB 4.18Å; W410-V419 HydrophobicContact CD2-CG1 3.57Å; W410-V419 HydrophobicContact CE3-CB 3.55Å; W410-V419 HydrophobicContact CE3-CG1 3.45Å; W410-V419 VanDerWaalsContact CE3-CG1 3.45Å; W410-V419 HydrophobicContact CE3-CG2 4.48Å; W410-V419 HydrophobicContact CG-CG1 3.89Å; W410-V419 HydrophobicContact CZ3-CB 4.07Å; W410-V419 HydrophobicContact CZ3-CG1 4.1Å; W410-L420 HydrophobicContact CH2-CB 3.94Å; W410-L420 HydrophobicContact CH2-CD1 4.05Å; W410-L420 HydrophobicContact CZ3-CB 3.84Å; W410-I423 HydrophobicContact CH2-CD1 3.93Å; W410-I423 HydrophobicContact CZ2-CD1 3.48Å; W410-I423 VanDerWaalsContact CZ2-CD1 3.48Å
411T87.3Confident90.7Very high21 Ų2138.1 Ų38.113%0.12922%0.215CC..G310 helixtrans-69.3-2.2178.656.50000114.3I350 T372 G409 I416I350-T411 VanDerWaalsContact CD1-O 3.24Å; I350-T411 WeakPolarHBondContact CD1-O 3.47Å; T372-T411 WeakPolarHBondContact OG1-CB 3.49Å; T372-T411 WeakPolarHBondContact OG1-CG2 3.36Å; T372-T411 PolarHBondContact OG1-OG1 3.02Å; T372-T411 VanDerWaalsContact OG1-OG1 3.06Å; G409-T411 PolarHBondContact O-N 2.94Å; T411-I416 VanDerWaalsContact O-CD1 3.3Å; T411-I416 WeakPolarHBondContact O-CD1 3.31Å
412E86Confident90.8Very high115 Ų11538.7 Ų38.754%0.53721%0.211SC..G310 helixtrans-110.60.6174.8-58.4-173.816400112.4A347 G409 W410A347-E412 WeakPolarHBondContact CB-O 3.18Å; G409-E412 PolarHBondContact O-N 3.39Å; W410-E412 PolarHBondContact O-N 3.32Å; W410-E412 VanDerWaalsContact O-N 3.12Å
413Q91.3Very high90.9Very high61 Ų6138.5 Ų38.529%0.28521%0.21SC..SBendtrans-96156.7-173.1-58-17810.900112.7W410 N415 I416W410-Q413 WeakPolarHBondContact O-CB 3.33Å; W410-Q413 PolarHBondContact O-N 3.33Å; W410-Q413 VanDerWaalsContact O-N 3.11Å; Q413-N415 WeakPolarHBondContact CB-OD1 3.29Å; Q413-N415 PolarHBondContact O-N 2.85Å; Q413-N415 VanDerWaalsContact O-N 3.14Å; Q413-N415 PolarHBondContact OE1-OD1 2.79Å; Q413-I416 WeakPolarHBondContact O-CB 3.38Å; Q413-I416 PolarHBondContact O-N 2.52Å
414H93.5Very high91Very high10 Ų1037 Ų375%0.04620%0.203CC..THydrogen-bonded Turntrans-62.4-20.8179.2-71.289.2000114.6A347 L348 N349 R477 G480 R481 Q484A347-H414 HydrophobicContact CB-CB 4.45Å; L348-H414 PolarHBondContact N-CD2 3.26Å; L348-H414 PolarHBondContact N-NE2 2.83Å; N349-H414 PolarHBondContact ND2-O 3.4Å; H414-R477 HydrophobicContact CB-CG 4.06Å; H414-G480 PolarHBondContact CE1-O 3.46Å; H414-G480 WeakPolarHBondContact NE2-CA 3.27Å; H414-G480 PolarHBondContact NE2-O 3.43Å; H414-R481 HydrophobicContact CB-CG 4.44Å; H414-Q484 PolarHBondContact CE1-OE1 2.75Å
415N93.9Very high91.2Very high12 Ų1230.7 Ų30.76%0.06418%0.178CC..THydrogen-bonded Turntrans-102.924.4-179.163.8-55.2000113M405 Q413 F417 D418 V419 R477M405-N415 WeakPolarHBondContact CE-ND2 3.46Å; Q413-N415 WeakPolarHBondContact CB-OD1 3.29Å; Q413-N415 PolarHBondContact O-N 2.85Å; Q413-N415 VanDerWaalsContact O-N 3.14Å; Q413-N415 PolarHBondContact OE1-OD1 2.79Å; N415-F417 VanDerWaalsContact C-N 3.27Å; N415-F417 PolarHBondContact O-N 3.25Å; N415-D418 WeakPolarHBondContact CA-OD2 3.39Å; N415-D418 HydrophobicContact CB-CB 4.31Å; N415-D418 WeakPolarHBondContact CB-OD2 3.35Å; N415-D418 WeakPolarHBondContact O-CB 3.2Å; N415-D418 PolarHBondContact O-N 2.95Å; N415-D418 VanDerWaalsContact O-N 3.11Å; N415-V419 WeakPolarHBondContact ND2-CG2 3.37Å; N415-V419 WeakPolarHBondContact O-CG2 3.05Å; N415-V419 PolarHBondContact O-N 3.32Å; N415-R477 VanDerWaalsContact CB-NH2 3.31Å
416I95.2Very high91.5Very high3 Ų328.3 Ų28.32%0.01517%0.167CC..Hα-helixtrans-49.9-45.8-179.8-171.5171.4000112.4I350 L368 W410 T411 Q413 D418 V419 L420I350-I416 HydrophobicContact CD1-CD1 4.08Å; I350-I416 HydrophobicContact CG1-CD1 4.23Å; I350-I416 HydrophobicContact CG1-CG2 4.05Å; L368-I416 HydrophobicContact CD1-CD1 3.72Å; L368-I416 HydrophobicContact CD1-CG1 4.17Å; L368-I416 HydrophobicContact CD2-CD1 3.94Å; L368-I416 HydrophobicContact CD2-CG1 3.95Å; L368-I416 HydrophobicContact CG-CD1 4.32Å; W410-I416 HydrophobicContact CE3-CG1 3.89Å; W410-I416 HydrophobicContact CZ3-CG1 3.66Å; W410-I416 VanDerWaalsContact CZ3-O 3.27Å; W410-I416 WeakPolarHBondContact CZ3-O 3.41Å; T411-I416 VanDerWaalsContact O-CD1 3.3Å; T411-I416 WeakPolarHBondContact O-CD1 3.31Å; Q413-I416 WeakPolarHBondContact O-CB 3.38Å; Q413-I416 PolarHBondContact O-N 2.52Å; I416-D418 PolarHBondContact O-N 3.41Å; I416-V419 PolarHBondContact O-N 2.94Å; I416-L420 WeakPolarHBondContact O-CB 3.47Å; I416-L420 PolarHBondContact O-N 3.48Å
417F97.1Very high92Very high3 Ų327.8 Ų27.81%0.01316%0.163CC..Hα-helixtrans-71.2-31.7-178.2-55.4-71.6000112.9A353 V364 M365 L368 N415 L421 V466 L469 K470 L473A353-F417 HydrophobicContact CB-CE2 4.21Å; A353-F417 HydrophobicContact CB-CZ 3.75Å; V364-F417 HydrophobicContact CG1-CD1 4.48Å; V364-F417 HydrophobicContact CG1-CE1 3.96Å; M365-F417 HydrophobicContact SD-CE1 4.05Å; M365-F417 HydrophobicContact SD-CZ 3.78Å; L368-F417 HydrophobicContact CD1-CE1 3.94Å; N415-F417 VanDerWaalsContact C-N 3.27Å; N415-F417 PolarHBondContact O-N 3.25Å; F417-L421 WeakPolarHBondContact O-CG 3.28Å; F417-L421 PolarHBondContact O-N 3.33Å; F417-V466 HydrophobicContact CB-CG1 4.4Å; F417-V466 HydrophobicContact CD1-CG1 4.35Å; F417-L469 HydrophobicContact CD1-CB 4.04Å; F417-L469 HydrophobicContact CD1-CD1 4.26Å; F417-L469 HydrophobicContact CD2-CB 4.24Å; F417-L469 HydrophobicContact CE1-CB 4.14Å; F417-L469 HydrophobicContact CE1-CD1 3.7Å; F417-L469 HydrophobicContact CE2-CB 4.35Å; F417-L469 HydrophobicContact CG-CB 4.09Å; F417-L469 HydrophobicContact CZ-CB 4.29Å; F417-L469 HydrophobicContact CZ-CD1 4.04Å; F417-K470 HydrophobicContact CB-CB 3.72Å; F417-K470 HydrophobicContact CB-CG 4.48Å; F417-L473 HydrophobicContact CD2-CD1 3.78Å; F417-L473 HydrophobicContact CE2-CD1 3.3Å; F417-L473 HydrophobicContact CZ-CD1 4.17Å
418D95.3Very high92.6Very high35 Ų3524.7 Ų24.719%0.18714%0.14CC..Hα-helixtrans-62.2-49171.6-58.6-83000110.6N415 I416 L421 D422 R477N415-D418 WeakPolarHBondContact CA-OD2 3.39Å; N415-D418 HydrophobicContact CB-CB 4.31Å; N415-D418 WeakPolarHBondContact CB-OD2 3.35Å; N415-D418 WeakPolarHBondContact O-CB 3.2Å; N415-D418 PolarHBondContact O-N 2.95Å; N415-D418 VanDerWaalsContact O-N 3.11Å; I416-D418 PolarHBondContact O-N 3.41Å; D418-L421 PolarHBondContact O-N 3.41Å; D418-D422 PolarHBondContact O-N 3.34Å; D418-R477 IonicContact OD2-NH1 2.76Å; D418-R477 PolarHBondContact OD2-NH1 2.84Å; D418-R477 VanDerWaalsContact OD2-NH1 3.11Å
419V95.1Very high93.4Very high3 Ų324.3 Ų24.32%0.01813%0.132CC..Hα-helixtrans-65.4-43.7-178.8179.40000110.5M405 W410 N415 I416 L421 D422 I423M405-V419 HydrophobicContact CE-CG2 3.29Å; M405-V419 HydrophobicContact SD-CG2 4.41Å; W410-V419 HydrophobicContact CB-CG1 4.08Å; W410-V419 HydrophobicContact CD2-CB 4.18Å; W410-V419 HydrophobicContact CD2-CG1 3.57Å; W410-V419 HydrophobicContact CE3-CB 3.55Å; W410-V419 HydrophobicContact CE3-CG1 3.45Å; W410-V419 VanDerWaalsContact CE3-CG1 3.45Å; W410-V419 HydrophobicContact CE3-CG2 4.48Å; W410-V419 HydrophobicContact CG-CG1 3.89Å; W410-V419 HydrophobicContact CZ3-CB 4.07Å; W410-V419 HydrophobicContact CZ3-CG1 4.1Å; N415-V419 WeakPolarHBondContact ND2-CG2 3.37Å; N415-V419 WeakPolarHBondContact O-CG2 3.05Å; N415-V419 PolarHBondContact O-N 3.32Å; I416-V419 PolarHBondContact O-N 2.94Å; V419-L421 VanDerWaalsContact C-N 3.3Å; V419-L421 PolarHBondContact O-N 2.97Å; V419-D422 PolarHBondContact O-N 3.44Å; V419-D422 VanDerWaalsContact O-N 3.16Å; V419-I423 HydrophobicContact CG1-CD1 4.49Å; V419-I423 HydrophobicContact CG1-CG2 4.32Å; V419-I423 WeakPolarHBondContact O-CG1 3.38Å; V419-I423 PolarHBondContact O-N 3.41Å
420L96.4Very high94.1Very high11 Ų1122.9 Ų22.96%0.05812%0.117CC..Hα-helixtrans-54.6-47.6177.417759.3000110.9L368 I371 W410 I416 I423 L424 L427 V466L368-L420 HydrophobicContact CD2-CD1 4.36Å; L368-L420 HydrophobicContact CD2-CD2 3.9Å; L368-L420 HydrophobicContact CD2-CG 4.49Å; L368-L420 HydrophobicContact CG-CD2 4.29Å; I371-L420 HydrophobicContact CD1-CD1 4.31Å; W410-L420 HydrophobicContact CH2-CB 3.94Å; W410-L420 HydrophobicContact CH2-CD1 4.05Å; W410-L420 HydrophobicContact CZ3-CB 3.84Å; I416-L420 WeakPolarHBondContact O-CB 3.47Å; I416-L420 PolarHBondContact O-N 3.48Å; L420-I423 PolarHBondContact O-N 3.48Å; L420-L424 WeakPolarHBondContact O-CA 3.23Å; L420-L424 VanDerWaalsContact O-CB 3.29Å; L420-L424 WeakPolarHBondContact O-CB 3.39Å; L420-L424 PolarHBondContact O-N 3.29Å; L420-L427 HydrophobicContact CD1-CD1 3.85Å; L420-V466 HydrophobicContact CD2-CB 4.45Å; L420-V466 HydrophobicContact CD2-CG1 3.76Å; L420-V466 HydrophobicContact CD2-CG2 3.72Å; L420-V466 HydrophobicContact CG-CG1 4.22Å
421L96.1Very high94.5Very high15 Ų1522.5 Ų22.58%0.07912%0.115CC..Hα-helixtrans-65.6-40.9178.4-68.1172.3000112.4F417 D418 V419 I423 L424 V466 V467 K470 L525F417-L421 WeakPolarHBondContact O-CG 3.28Å; F417-L421 PolarHBondContact O-N 3.33Å; D418-L421 PolarHBondContact O-N 3.41Å; V419-L421 VanDerWaalsContact C-N 3.3Å; V419-L421 PolarHBondContact O-N 2.97Å; L421-I423 VanDerWaalsContact C-N 3.3Å; L421-I423 PolarHBondContact O-N 2.96Å; L421-L424 PolarHBondContact O-N 3.24Å; L421-V466 HydrophobicContact CD1-CG1 4.19Å; L421-V466 HydrophobicContact CD2-CB 4.11Å; L421-V466 HydrophobicContact CD2-CG1 3.51Å; L421-V466 HydrophobicContact CG-CG1 3.61Å; L421-V467 HydrophobicContact CD1-CG2 4.02Å; L421-V467 HydrophobicContact CD2-CG2 3.85Å; L421-K470 HydrophobicContact CD1-CB 3.91Å; L421-K470 HydrophobicContact CD1-CD 3.65Å; L421-K470 HydrophobicContact CD1-CG 3.88Å; L421-L525 HydrophobicContact CD2-CD1 4.04Å
422D94.4Very high94.9Very high64 Ų6424.6 Ų24.634%0.34213%0.126SC..Hα-helixtrans-62.4-36.8178-94.4-28.3000112.5K398 L402 D418 V419K398-D422 IonicContact NZ-OD1 3.15Å; K398-D422 PolarHBondContact NZ-OD1 3.15Å; K398-D422 IonicContact NZ-OD2 3.09Å; L402-D422 HydrophobicContact CD1-CB 4.39Å; L402-D422 HydrophobicContact CD2-CB 3.94Å; D418-D422 PolarHBondContact O-N 3.34Å; V419-D422 PolarHBondContact O-N 3.44Å; V419-D422 VanDerWaalsContact O-N 3.16Å
423I94.7Very high95.3Very high0 Ų022 Ų220%012%0.121CC..Hα-helixtrans-95.3-8.5-178.872176000113.5L402 W410 V419 L420 L421 S426 L427L402-I423 HydrophobicContact CB-CG2 4.36Å; L402-I423 HydrophobicContact CD1-CG2 4.29Å; L402-I423 HydrophobicContact CD2-CG2 3.93Å; L402-I423 HydrophobicContact CG-CG2 4.42Å; W410-I423 HydrophobicContact CH2-CD1 3.93Å; W410-I423 HydrophobicContact CZ2-CD1 3.48Å; W410-I423 VanDerWaalsContact CZ2-CD1 3.48Å; V419-I423 HydrophobicContact CG1-CD1 4.49Å; V419-I423 HydrophobicContact CG1-CG2 4.32Å; V419-I423 WeakPolarHBondContact O-CG1 3.38Å; V419-I423 PolarHBondContact O-N 3.41Å; L420-I423 PolarHBondContact O-N 3.48Å; L421-I423 VanDerWaalsContact C-N 3.3Å; L421-I423 PolarHBondContact O-N 2.96Å; I423-S426 CarbonylContact O-C 3.55Å; I423-S426 WeakPolarHBondContact O-CA 3.1Å; I423-S426 WeakPolarHBondContact O-CB 3.45Å; I423-S426 PolarHBondContact O-N 3.33Å; I423-L427 HydrophobicContact CB-CG 4.5Å; I423-L427 HydrophobicContact CD1-CD1 3.76Å; I423-L427 HydrophobicContact CD1-CD2 4.3Å; I423-L427 HydrophobicContact CD1-CG 3.96Å; I423-L427 HydrophobicContact CG1-CD1 3.65Å; I423-L427 HydrophobicContact CG1-CG 3.87Å; I423-L427 PolarHBondContact O-N 3.23Å
424L95.6Very high95.5Very high8 Ų819.1 Ų19.14%0.04211%0.107CC..Hα-helixtrans-53.5-45-172.4-173.161.8000113.5L420 L421 S426 L427 L428 I457 I463 M529L420-L424 WeakPolarHBondContact O-CA 3.23Å; L420-L424 VanDerWaalsContact O-CB 3.29Å; L420-L424 WeakPolarHBondContact O-CB 3.39Å; L420-L424 PolarHBondContact O-N 3.29Å; L421-L424 PolarHBondContact O-N 3.24Å; L424-S426 VanDerWaalsContact C-N 3.34Å; L424-S426 PolarHBondContact O-N 2.96Å; L424-L427 WeakPolarHBondContact O-CB 3.36Å; L424-L427 PolarHBondContact O-N 3.24Å; L424-L428 PolarHBondContact O-N 3.44Å; L424-I457 HydrophobicContact CD1-CB 4.09Å; L424-I457 HydrophobicContact CD1-CD1 3.99Å; L424-I457 HydrophobicContact CD1-CG1 4.13Å; L424-I463 HydrophobicContact CD2-CG1 4.06Å; L424-M529 HydrophobicContact CB-SD 4.44Å; L424-M529 HydrophobicContact CD2-CE 3.67Å; L424-M529 HydrophobicContact CD2-SD 3.98Å; L424-M529 HydrophobicContact CG-CE 4.23Å; L424-M529 HydrophobicContact CG-SD 3.84Å
425P95.6Very high95.5Very high22 Ų2223.1 Ų23.114%0.14312%0.122CC..Hα-helixtrans-63.3-39175.5-22.234.7000112.9Q391 L428 L429 M529Q391-P425 HydrophobicContact CG-CB 4.3Å; P425-L428 PolarHBondContact O-N 3.48Å; P425-L429 WeakPolarHBondContact O-CB 3.32Å; P425-L429 PolarHBondContact O-N 3.26Å; P425-M529 HydrophobicContact CG-CG 4.32Å; P425-M529 HydrophobicContact CG-SD 4.1Å
426S96.2Very high95.4Very high0 Ų027.8 Ų27.80%015%0.147CC..Hα-helixtrans-69.1-34.6176.2-60.60000112.2A387 Q391 I423 L424 C430A387-S426 VanDerWaalsContact CB-O 3.28Å; A387-S426 WeakPolarHBondContact CB-O 3.43Å; Q391-S426 VanDerWaalsContact CB-OG 3.26Å; Q391-S426 WeakPolarHBondContact CB-OG 3.44Å; I423-S426 CarbonylContact O-C 3.55Å; I423-S426 WeakPolarHBondContact O-CA 3.1Å; I423-S426 WeakPolarHBondContact O-CB 3.45Å; I423-S426 PolarHBondContact O-N 3.33Å; L424-S426 VanDerWaalsContact C-N 3.34Å; L424-S426 PolarHBondContact O-N 2.96Å; S426-C430 VanDerWaalsContact O-CB 3.23Å; S426-C430 WeakPolarHBondContact O-CB 3.48Å; S426-C430 PolarHBondContact O-N 3.44Å
427L96.1Very high95.3Very high0 Ų029.3 Ų29.30%016%0.155CC..Hα-helixtrans-62.7-49.4173.3-77.9174.2000110.6I371 F375 L384 L420 I423 L424 L429 C430 M431 I457I371-L427 HydrophobicContact CD1-CD1 4.16Å; I371-L427 HydrophobicContact CG2-CD2 4.46Å; F375-L427 HydrophobicContact CD2-CD2 4.49Å; F375-L427 HydrophobicContact CE2-CD2 3.48Å; F375-L427 VanDerWaalsContact CE2-CD2 3.48Å; F375-L427 HydrophobicContact CZ-CD2 3.85Å; L384-L427 HydrophobicContact CD1-CD2 3.8Å; L384-L427 HydrophobicContact CD1-CG 4.4Å; L384-L427 HydrophobicContact CD2-CD2 4.35Å; L420-L427 HydrophobicContact CD1-CD1 3.85Å; I423-L427 HydrophobicContact CB-CG 4.5Å; I423-L427 HydrophobicContact CD1-CD1 3.76Å; I423-L427 HydrophobicContact CD1-CD2 4.3Å; I423-L427 HydrophobicContact CD1-CG 3.96Å; I423-L427 HydrophobicContact CG1-CD1 3.65Å; I423-L427 HydrophobicContact CG1-CG 3.87Å; I423-L427 PolarHBondContact O-N 3.23Å; L424-L427 WeakPolarHBondContact O-CB 3.36Å; L424-L427 PolarHBondContact O-N 3.24Å; L427-L429 PolarHBondContact O-N 3.39Å; L427-C430 WeakPolarHBondContact O-CB 3.38Å; L427-C430 PolarHBondContact O-N 3.11Å; L427-C430 VanDerWaalsContact O-N 3.17Å; L427-M431 HydrophobicContact CD2-CE 4.45Å; L427-M431 VanDerWaalsContact O-CG 3.3Å; L427-M431 WeakPolarHBondContact O-CG 3.33Å; L427-M431 PolarHBondContact O-N 3.27Å; L427-I457 HydrophobicContact CB-CD1 4.09Å
428L96.6Very high94.9Very high23 Ų2333.9 Ų33.912%0.1219%0.193CC..Hα-helixtrans-59.7-46.9178.1-70.8176000111.8L424 P425 C430 M431 D432 I457 A458 M529 I531L424-L428 PolarHBondContact O-N 3.44Å; P425-L428 PolarHBondContact O-N 3.48Å; L428-C430 VanDerWaalsContact C-N 3.29Å; L428-C430 PolarHBondContact O-N 3.3Å; L428-M431 PolarHBondContact O-N 2.81Å; L428-M431 VanDerWaalsContact O-N 3.16Å; L428-D432 PolarHBondContact O-N 3.46Å; L428-I457 HydrophobicContact CD2-CD1 3.96Å; L428-I457 HydrophobicContact CD2-CG1 3.65Å; L428-I457 HydrophobicContact CG-CD1 4.48Å; L428-I457 HydrophobicContact CG-CG1 4.47Å; L428-A458 HydrophobicContact CD2-CB 3.92Å; L428-M529 HydrophobicContact CD1-CB 4.26Å; L428-M529 HydrophobicContact CD1-CG 4.31Å; L428-M529 HydrophobicContact CD1-SD 3.64Å; L428-I531 HydrophobicContact CD1-CD1 4.1Å
429L96.3Very high94.4Very high62 Ų6239.6 Ų39.633%0.32522%0.224SC..Hα-helixtrans-58.2-41.5175.2179.364.2000112.2A387 I390 P425 L427 S433A387-L429 HydrophobicContact CB-CB 4.34Å; A387-L429 HydrophobicContact CB-CD2 4.11Å; A387-L429 HydrophobicContact CB-CG 4.22Å; I390-L429 HydrophobicContact CB-CD2 4.05Å; I390-L429 HydrophobicContact CD1-CD2 4.36Å; I390-L429 HydrophobicContact CG2-CD2 3.85Å; P425-L429 WeakPolarHBondContact O-CB 3.32Å; P425-L429 PolarHBondContact O-N 3.26Å; L427-L429 PolarHBondContact O-N 3.39Å; L429-S433 WeakPolarHBondContact O-CB 3.38Å; L429-S433 PolarHBondContact O-N 2.97Å
430C96.4Very high94Very high1 Ų142.1 Ų42.11%0.00725%0.251CS..Hα-helixtrans-63.2-47175.8-179.90000111.4L384 A387 S426 L427 L428 D432 S433 I434L384-C430 HydrophobicContact CD1-CB 4.35Å; L384-C430 PolarHBondContact N-SG 3.31Å; A387-C430 HydrophobicContact CB-CB 3.83Å; S426-C430 VanDerWaalsContact O-CB 3.23Å; S426-C430 WeakPolarHBondContact O-CB 3.48Å; S426-C430 PolarHBondContact O-N 3.44Å; L427-C430 WeakPolarHBondContact O-CB 3.38Å; L427-C430 PolarHBondContact O-N 3.11Å; L427-C430 VanDerWaalsContact O-N 3.17Å; L428-C430 VanDerWaalsContact C-N 3.29Å; L428-C430 PolarHBondContact O-N 3.3Å; C430-D432 PolarHBondContact O-N 3.3Å; C430-S433 PolarHBondContact O-N 3.4Å; C430-I434 WeakPolarHBondContact O-CG1 3.35Å; C430-I434 PolarHBondContact O-N 2.95Å
431M96.3Very high93.7Very high3 Ų345.7 Ų45.72%0.01527%0.266CS..Hα-helixtrans-62.7-42179.1-64.2-50.6162.800111.9F374 F375 L427 L428 I434 R435 A450 I453F374-M431 HydrophobicContact CD1-CE 4.02Å; F374-M431 HydrophobicContact CD1-SD 4.42Å; F374-M431 HydrophobicContact CE1-CE 4.07Å; F374-M431 HydrophobicContact CE1-SD 3.93Å; F374-M431 HydrophobicContact CZ-SD 4.27Å; F375-M431 HydrophobicContact CE2-CE 3.59Å; F375-M431 HydrophobicContact CZ-CE 3.46Å; F375-M431 VanDerWaalsContact CZ-CE 3.46Å; L427-M431 HydrophobicContact CD2-CE 4.45Å; L427-M431 VanDerWaalsContact O-CG 3.3Å; L427-M431 WeakPolarHBondContact O-CG 3.33Å; L427-M431 PolarHBondContact O-N 3.27Å; L428-M431 PolarHBondContact O-N 2.81Å; L428-M431 VanDerWaalsContact O-N 3.16Å; M431-I434 PolarHBondContact O-N 2.9Å; M431-R435 VanDerWaalsContact O-CB 3.3Å; M431-R435 WeakPolarHBondContact O-CB 3.45Å; M431-R435 PolarHBondContact O-N 3.08Å; M431-A450 HydrophobicContact SD-CB 3.87Å; M431-I453 HydrophobicContact CE-CG2 3.95Å
432D94.8Very high93.5Very high65 Ų6546.2 Ų46.235%0.34827%0.267SS..Hα-helixtrans-62.4-46175.2-76.2-35.1000111.4L428 C430 I434 R435 D436L428-D432 PolarHBondContact O-N 3.46Å; C430-D432 PolarHBondContact O-N 3.3Å; D432-I434 VanDerWaalsContact C-N 3.34Å; D432-I434 PolarHBondContact O-N 2.8Å; D432-R435 PolarHBondContact O-N 3.46Å; D432-R435 IonicContact OD1-CZ 3.14Å; D432-R435 IonicContact OD1-NH1 3.75Å; D432-R435 PolarHBondContact OD1-NH1 3.38Å; D432-R435 VanDerWaalsContact OD1-NH1 3.09Å; D432-R435 IonicContact OD1-NH2 3.15Å; D432-R435 PolarHBondContact OD1-NH2 3.46Å; D432-D436 WeakPolarHBondContact O-CB 3.46Å; D432-D436 VanDerWaalsContact O-CG 3.26Å; D432-D436 PolarHBondContact O-N 3.34Å
433S95.2Very high93.4Very high61 Ų6146.3 Ų46.343%0.42727%0.273SS..Hα-helixtrans-62.1-40.2177.6-174.50000112.6L429 C430 N437L429-S433 WeakPolarHBondContact O-CB 3.38Å; L429-S433 PolarHBondContact O-N 2.97Å; C430-S433 PolarHBondContact O-N 3.4Å; S433-N437 PolarHBondContact O-N 2.9Å
434I95.3Very high93.2Very high0 Ų051.2 Ų51.20%031%0.307CS..Hα-helixtrans-69.1-39.3176.7-68.3171.6000110.4F374 T380 E383 C430 M431 D432 N437 F442 V446 T447 A450F374-I434 HydrophobicContact CE1-CD1 3.66Å; F374-I434 HydrophobicContact CZ-CD1 3.78Å; F374-I434 HydrophobicContact CZ-CG2 4.29Å; T380-I434 HydrophobicContact CG2-CD1 4.32Å; E383-I434 HydrophobicContact CB-CD1 4.32Å; E383-I434 HydrophobicContact CB-CG1 4.34Å; E383-I434 HydrophobicContact CG-CG1 4.27Å; C430-I434 WeakPolarHBondContact O-CG1 3.35Å; C430-I434 PolarHBondContact O-N 2.95Å; M431-I434 PolarHBondContact O-N 2.9Å; D432-I434 VanDerWaalsContact C-N 3.34Å; D432-I434 PolarHBondContact O-N 2.8Å; I434-N437 WeakPolarHBondContact O-CB 3.42Å; I434-N437 PolarHBondContact O-N 3Å; I434-F442 HydrophobicContact CB-CD2 4.32Å; I434-F442 HydrophobicContact CB-CE2 4.39Å; I434-F442 HydrophobicContact CG1-CD2 4.27Å; I434-F442 HydrophobicContact CG1-CE1 4.41Å; I434-F442 HydrophobicContact CG1-CE2 3.87Å; I434-F442 HydrophobicContact CG1-CZ 3.97Å; I434-F442 HydrophobicContact CG2-CB 4.29Å; I434-F442 HydrophobicContact CG2-CD1 4.23Å; I434-F442 HydrophobicContact CG2-CD2 3.92Å; I434-F442 HydrophobicContact CG2-CE2 4.38Å; I434-F442 HydrophobicContact CG2-CG 3.87Å; I434-V446 HydrophobicContact CG2-CG1 4.02Å; I434-T447 WeakPolarHBondContact O-CG2 3.32Å; I434-A450 HydrophobicContact CB-CB 4.03Å; I434-A450 HydrophobicContact CG2-CB 3.69Å
435R92.8Very high93Very high94 Ų9454.6 Ų54.636%0.35533%0.331SS..Hα-helixtrans-63.6-46.6176.9-178.1-173.270.8-147-14.1111.8M431 D432 N437M431-R435 VanDerWaalsContact O-CB 3.3Å; M431-R435 WeakPolarHBondContact O-CB 3.45Å; M431-R435 PolarHBondContact O-N 3.08Å; D432-R435 PolarHBondContact O-N 3.46Å; D432-R435 IonicContact OD1-CZ 3.14Å; D432-R435 IonicContact OD1-NH1 3.75Å; D432-R435 PolarHBondContact OD1-NH1 3.38Å; D432-R435 VanDerWaalsContact OD1-NH1 3.09Å; D432-R435 IonicContact OD1-NH2 3.15Å; D432-R435 PolarHBondContact OD1-NH2 3.46Å; R435-N437 PolarHBondContact O-N 3.24Å
436D93.1Very high92.8Very high110 Ų11055.4 Ų55.459%0.58834%0.335SS*.Hα-helixtrans-63.8-33.9-179.5-71.1-4.7000111.1D432 A438D432-D436 WeakPolarHBondContact O-CB 3.46Å; D432-D436 VanDerWaalsContact O-CG 3.26Å; D432-D436 PolarHBondContact O-N 3.34Å; D436-A438 PolarHBondContact O-N 3.44Å
437N91.8Very high92.7Very high36 Ų3656.7 Ų56.719%0.19334%0.343CS..  trans4641.6170.3-162.123.9000113.8S433 I434 R435 D439 G440 K441 F442 T447S433-N437 PolarHBondContact O-N 2.9Å; I434-N437 WeakPolarHBondContact O-CB 3.42Å; I434-N437 PolarHBondContact O-N 3Å; R435-N437 PolarHBondContact O-N 3.24Å; N437-D439 PolarHBondContact O-N 3.37Å; N437-D439 VanDerWaalsContact O-N 3.1Å; N437-G440 PolarHBondContact O-N 3.35Å; N437-K441 PolarHBondContact OD1-N 3.29Å; N437-F442 PolarHBondContact ND2-O 3.4Å; N437-F442 WeakPolarHBondContact OD1-CD2 3.4Å; N437-F442 PolarHBondContact OD1-N 3.37Å; N437-T447 HydrophobicContact CB-CG2 4.02Å
438A88Confident92.7Very high98 Ų9859.3 Ų59.381%0.8136%0.364SS*.THydrogen-bonded Turntrans-55.7-33.9-171.300000113.4D436D436-A438 PolarHBondContact O-N 3.44Å
439D85.5Confident92.5Very high156 Ų15661.6 Ų61.683%0.83438%0.377SS*.THydrogen-bonded Turntrans-87.2-1.9-179.9-59.3-33000113.5N437 K441N437-D439 PolarHBondContact O-N 3.37Å; N437-D439 VanDerWaalsContact O-N 3.1Å; D439-K441 PolarHBondContact O-N 2.98Å
440G87.4Confident92.5Very high56 Ų5658.6 Ų58.658%0.57736%0.361SS*.SBendtrans6520.6-177.200000114.4N437N437-G440 PolarHBondContact O-N 3.35Å
441K89.8Confident92.5Very high86 Ų8664 Ų6437%0.37438%0.382SS..  trans-71-32.1-174.9179178.8164.1-169.20112.9H379 E383 N437 D439H379-K441 PolarHBondContact O-NZ 2.96Å; E383-K441 IonicContact OE1-NZ 3.06Å; E383-K441 PolarHBondContact OE1-NZ 3.21Å; N437-K441 PolarHBondContact OD1-N 3.29Å; D439-K441 PolarHBondContact O-N 2.98Å
442F91.7Very high92.5Very high25 Ų2566.4 Ų66.411%0.1140%0.399CS..SBendtrans-100.9143.8-173.2-59.1-73.4000112.2H379 T380 E383 I434 N437 V446 T447H379-F442 HydrophobicContact CB-CE1 4.35Å; T380-F442 HydrophobicContact CG2-CE1 4.17Å; E383-F442 HydrophobicContact CG-CE2 4.05Å; E383-F442 HydrophobicContact CG-CZ 3.49Å; E383-F442 VanDerWaalsContact CG-CZ 3.49Å; I434-F442 HydrophobicContact CB-CD2 4.32Å; I434-F442 HydrophobicContact CB-CE2 4.39Å; I434-F442 HydrophobicContact CG1-CD2 4.27Å; I434-F442 HydrophobicContact CG1-CE1 4.41Å; I434-F442 HydrophobicContact CG1-CE2 3.87Å; I434-F442 HydrophobicContact CG1-CZ 3.97Å; I434-F442 HydrophobicContact CG2-CB 4.29Å; I434-F442 HydrophobicContact CG2-CD1 4.23Å; I434-F442 HydrophobicContact CG2-CD2 3.92Å; I434-F442 HydrophobicContact CG2-CE2 4.38Å; I434-F442 HydrophobicContact CG2-CG 3.87Å; N437-F442 PolarHBondContact ND2-O 3.4Å; N437-F442 WeakPolarHBondContact OD1-CD2 3.4Å; N437-F442 PolarHBondContact OD1-N 3.37Å; F442-V446 HydrophobicContact CB-CB 4.39Å; F442-V446 HydrophobicContact CB-CG1 4.22Å; F442-V446 HydrophobicContact CD1-CG1 3.88Å; F442-V446 HydrophobicContact CG-CG1 4.34Å; F442-T447 HydrophobicContact CB-CG2 3.89Å
443S91.9Very high92.6Very high67 Ų6763.4 Ų63.447%0.46938%0.383SS..  trans-72.8160.1173.671.40000111.2C445 V446 T447S443-C445 PolarHBondContact O-N 3.06Å; S443-V446 PolarHBondContact O-N 2.82Å; S443-V446 VanDerWaalsContact O-N 3.1Å; S443-V446 WeakPolarHBondContact OG-CG2 3.48Å; S443-T447 WeakPolarHBondContact O-CG2 2.97Å; S443-T447 PolarHBondContact O-N 3.35Å
444S91.7Very high92.7Very high103 Ų10361 Ų6172%0.7237%0.367SS*.Hα-helixtrans-60-29.7179.154.80000113.9T447 A448S444-T447 WeakPolarHBondContact CA-OG1 2.96Å; S444-T447 PolarHBondContact O-OG1 2.95Å; S444-T447 VanDerWaalsContact O-OG1 3.06Å; S444-A448 WeakPolarHBondContact O-CB 3.3Å; S444-A448 PolarHBondContact O-N 3.46Å; S444-A448 VanDerWaalsContact O-N 3.09Å
445C90.2Very high92.7Very high79 Ų7965.9 Ų65.953%0.53439%0.39SS..Hα-helixtrans-67-47.3174.9-169.80000110.7S443 T447 A448 D449S443-C445 PolarHBondContact O-N 3.06Å; C445-T447 VanDerWaalsContact C-N 3.35Å; C445-T447 PolarHBondContact O-N 3.39Å; C445-A448 PolarHBondContact O-N 2.63Å; C445-D449 PolarHBondContact O-N 3.4Å
446V92.3Very high92.8Very high38 Ų3862.7 Ų62.723%0.2338%0.383CS..Hα-helixtrans-65.2-39.1-179.4175.80000111.1F374 T380 I434 F442 S443 D449 A450F374-V446 HydrophobicContact CE2-CG1 3.81Å; F374-V446 HydrophobicContact CZ-CG1 3.91Å; T380-V446 HydrophobicContact CG2-CG1 4.13Å; I434-V446 HydrophobicContact CG2-CG1 4.02Å; F442-V446 HydrophobicContact CB-CB 4.39Å; F442-V446 HydrophobicContact CB-CG1 4.22Å; F442-V446 HydrophobicContact CD1-CG1 3.88Å; F442-V446 HydrophobicContact CG-CG1 4.34Å; S443-V446 PolarHBondContact O-N 2.82Å; S443-V446 VanDerWaalsContact O-N 3.1Å; S443-V446 WeakPolarHBondContact OG-CG2 3.48Å; V446-D449 PolarHBondContact O-N 3.4Å; V446-A450 WeakPolarHBondContact O-CB 3.12Å; V446-A450 PolarHBondContact O-N 3.37Å
447T94.3Very high92.9Very high28 Ų2857.7 Ų57.717%0.17236%0.356CS..Hα-helixtrans-68.3-37.6176.662.30000112.5I434 N437 F442 S443 S444 C445 Y451I434-T447 WeakPolarHBondContact O-CG2 3.32Å; N437-T447 HydrophobicContact CB-CG2 4.02Å; F442-T447 HydrophobicContact CB-CG2 3.89Å; S443-T447 WeakPolarHBondContact O-CG2 2.97Å; S443-T447 PolarHBondContact O-N 3.35Å; S444-T447 WeakPolarHBondContact CA-OG1 2.96Å; S444-T447 PolarHBondContact O-OG1 2.95Å; S444-T447 VanDerWaalsContact O-OG1 3.06Å; C445-T447 VanDerWaalsContact C-N 3.35Å; C445-T447 PolarHBondContact O-N 3.39Å; T447-Y451 PolarHBondContact O-N 2.99Å
448A94.6Very high93.1Very high54 Ų5457.4 Ų57.445%0.44636%0.358SS..Hα-helixtrans-66.4-41.7174.400000112.1S444 C445 Y451 S452S444-A448 WeakPolarHBondContact O-CB 3.3Å; S444-A448 PolarHBondContact O-N 3.46Å; S444-A448 VanDerWaalsContact O-N 3.09Å; C445-A448 PolarHBondContact O-N 2.63Å; A448-Y451 PolarHBondContact O-N 3.14Å; A448-S452 WeakPolarHBondContact O-CB 3.33Å; A448-S452 PolarHBondContact O-N 2.95Å
449D93.9Very high93.5Very high71 Ų7155.6 Ų55.638%0.3834%0.335SS..Hα-helixtrans-63.3-45.3175-73.6-29000111.3F374 C445 V446 Y451 S452 I453F374-D449 HydrophobicContact CD2-CB 4.14Å; F374-D449 HydrophobicContact CE2-CB 4.05Å; C445-D449 PolarHBondContact O-N 3.4Å; V446-D449 PolarHBondContact O-N 3.4Å; D449-Y451 PolarHBondContact O-N 2.98Å; D449-S452 PolarHBondContact O-N 3.29Å; D449-I453 WeakPolarHBondContact O-CB 3.35Å; D449-I453 VanDerWaalsContact O-CG1 3.29Å; D449-I453 WeakPolarHBondContact O-CG1 3.42Å; D449-I453 PolarHBondContact O-N 2.94Å
450A96.3Very high94Very high0 Ų048.2 Ų48.20%030%0.295CS..Hα-helixtrans-58.1-46.7176.300000111.8F374 M431 I434 V446 I453 G454F374-A450 HydrophobicContact CE2-CB 4.19Å; F374-A450 HydrophobicContact CZ-CB 3.83Å; M431-A450 HydrophobicContact SD-CB 3.87Å; I434-A450 HydrophobicContact CB-CB 4.03Å; I434-A450 HydrophobicContact CG2-CB 3.69Å; V446-A450 WeakPolarHBondContact O-CB 3.12Å; V446-A450 PolarHBondContact O-N 3.37Å; A450-I453 PolarHBondContact O-N 3.41Å; A450-G454 PolarHBondContact O-N 3.04Å
451Y96.1Very high94.4Very high115 Ų11547 Ų4745%0.45128%0.275SS..Hα-helixtrans-59.5-49.6175.1174.8-112000111.7T447 A448 D449 I453 G454 E455T447-Y451 PolarHBondContact O-N 2.99Å; A448-Y451 PolarHBondContact O-N 3.14Å; D449-Y451 PolarHBondContact O-N 2.98Å; Y451-I453 PolarHBondContact O-N 2.88Å; Y451-G454 PolarHBondContact O-N 3.39Å; Y451-E455 HydrophobicContact CD2-CG 3.92Å; Y451-E455 HydrophobicContact CE1-CG 4.13Å; Y451-E455 HydrophobicContact CE2-CG 3.43Å; Y451-E455 VanDerWaalsContact CE2-CG 3.43Å; Y451-E455 VanDerWaalsContact CE2-OE1 3.32Å; Y451-E455 WeakPolarHBondContact CE2-OE1 3.36Å; Y451-E455 HydrophobicContact CG-CG 4.46Å; Y451-E455 WeakPolarHBondContact O-CG 3.3Å; Y451-E455 PolarHBondContact O-N 3.06Å
452S96.8Very high94.7Very high52 Ų5243.5 Ų43.536%0.36426%0.261SS..Hα-helixtrans-65.2-37.8-177.91780000113R370 A448 D449 S456R370-S452 VanDerWaalsContact NH2-CB 3.28Å; R370-S452 PolarHBondContact NH2-OG 3.47Å; A448-S452 WeakPolarHBondContact O-CB 3.33Å; A448-S452 PolarHBondContact O-N 2.95Å; D449-S452 PolarHBondContact O-N 3.29Å; S452-S456 WeakPolarHBondContact O-CB 3.08Å; S452-S456 PolarHBondContact O-N 2.73Å
453I96.2Very high95Very high3 Ų342.4 Ų42.42%0.01526%0.256CS..Hα-helixtrans-67.9-47.1173.8-66.7169.1000109.5R370 I371 F374 M431 D449 A450 Y451 E455 S456 I457R370-I453 HydrophobicContact CB-CD1 3.98Å; R370-I453 HydrophobicContact CB-CG1 4.08Å; I371-I453 HydrophobicContact CD1-CG2 4.46Å; I371-I453 HydrophobicContact CG1-CG2 3.84Å; F374-I453 HydrophobicContact CB-CD1 3.98Å; F374-I453 HydrophobicContact CD2-CD1 4.07Å; F374-I453 HydrophobicContact CG-CD1 4.06Å; M431-I453 HydrophobicContact CE-CG2 3.95Å; D449-I453 WeakPolarHBondContact O-CB 3.35Å; D449-I453 VanDerWaalsContact O-CG1 3.29Å; D449-I453 WeakPolarHBondContact O-CG1 3.42Å; D449-I453 PolarHBondContact O-N 2.94Å; A450-I453 PolarHBondContact O-N 3.41Å; Y451-I453 PolarHBondContact O-N 2.88Å; I453-E455 PolarHBondContact O-N 3.28Å; I453-S456 WeakPolarHBondContact O-CB 3.29Å; I453-S456 PolarHBondContact O-N 3.42Å; I453-I457 HydrophobicContact CG2-CD1 4.38Å; I453-I457 HydrophobicContact CG2-CG2 4.36Å; I453-I457 WeakPolarHBondContact O-CG1 3.33Å; I453-I457 PolarHBondContact O-N 3.02Å
454G96.6Very high95.3Very high9 Ų939.3 Ų39.39%0.09323%0.234CC..Hα-helixtrans-55.6-51.4179.800000112.9A450 Y451 S456 I457 A458A450-G454 PolarHBondContact O-N 3.04Å; Y451-G454 PolarHBondContact O-N 3.39Å; G454-S456 VanDerWaalsContact C-N 3.3Å; G454-S456 PolarHBondContact O-N 3.13Å; G454-I457 WeakPolarHBondContact O-CG1 3.25Å; G454-I457 PolarHBondContact O-N 3.42Å; G454-A458 WeakPolarHBondContact O-CB 3.24Å; G454-A458 PolarHBondContact O-N 2.83Å
455E95.5Very high95.6Very high103 Ų10334.4 Ų34.448%0.48120%0.2SC..Hα-helixtrans-60.9-39177-69.3-67.8134.100112.3Y451 I453 A458Y451-E455 HydrophobicContact CD2-CG 3.92Å; Y451-E455 HydrophobicContact CE1-CG 4.13Å; Y451-E455 HydrophobicContact CE2-CG 3.43Å; Y451-E455 VanDerWaalsContact CE2-CG 3.43Å; Y451-E455 VanDerWaalsContact CE2-OE1 3.32Å; Y451-E455 WeakPolarHBondContact CE2-OE1 3.36Å; Y451-E455 HydrophobicContact CG-CG 4.46Å; Y451-E455 WeakPolarHBondContact O-CG 3.3Å; Y451-E455 PolarHBondContact O-N 3.06Å; I453-E455 PolarHBondContact O-N 3.28Å; E455-A458 PolarHBondContact O-N 3.44Å
456S95.8Very high96Very high28 Ų2830.8 Ų30.820%0.19618%0.175CC..Hα-helixtrans-68.7-42.1-179.1-171.30000112.2N367 S452 I453 G454 A458 D459 V462N367-S456 PolarHBondContact ND2-OG 2.81Å; N367-S456 WeakPolarHBondContact OD1-CB 3.3Å; N367-S456 PolarHBondContact OD1-OG 3.18Å; S452-S456 WeakPolarHBondContact O-CB 3.08Å; S452-S456 PolarHBondContact O-N 2.73Å; I453-S456 WeakPolarHBondContact O-CB 3.29Å; I453-S456 PolarHBondContact O-N 3.42Å; G454-S456 VanDerWaalsContact C-N 3.3Å; G454-S456 PolarHBondContact O-N 3.13Å; S456-A458 VanDerWaalsContact C-N 3.34Å; S456-D459 WeakPolarHBondContact O-CB 3.41Å; S456-V462 WeakPolarHBondContact O-CG2 3.47Å
457I95.7Very high96.3Very high5 Ų529 Ų293%0.02616%0.164CC..Hα-helixtrans-80.7-17.2178.370.4-177.1000112.9N367 I371 L424 L427 L428 I453 G454 D459N367-I457 HydrophobicContact CB-CG2 3.99Å; I371-I457 HydrophobicContact CD1-CG2 4.22Å; L424-I457 HydrophobicContact CD1-CB 4.09Å; L424-I457 HydrophobicContact CD1-CD1 3.99Å; L424-I457 HydrophobicContact CD1-CG1 4.13Å; L427-I457 HydrophobicContact CB-CD1 4.09Å; L428-I457 HydrophobicContact CD2-CD1 3.96Å; L428-I457 HydrophobicContact CD2-CG1 3.65Å; L428-I457 HydrophobicContact CG-CD1 4.48Å; L428-I457 HydrophobicContact CG-CG1 4.47Å; I453-I457 HydrophobicContact CG2-CD1 4.38Å; I453-I457 HydrophobicContact CG2-CG2 4.36Å; I453-I457 WeakPolarHBondContact O-CG1 3.33Å; I453-I457 PolarHBondContact O-N 3.02Å; G454-I457 WeakPolarHBondContact O-CG1 3.25Å; G454-I457 PolarHBondContact O-N 3.42Å; I457-D459 PolarHBondContact O-N 3.34Å
458A95.5Very high96.5Very high29 Ų2927.7 Ų27.724%0.2416%0.156CC..THydrogen-bonded Turntrans-84.111.8171.700000113.6L428 G454 E455 S456 I531L428-A458 HydrophobicContact CD2-CB 3.92Å; G454-A458 WeakPolarHBondContact O-CB 3.24Å; G454-A458 PolarHBondContact O-N 2.83Å; E455-A458 PolarHBondContact O-N 3.44Å; S456-A458 VanDerWaalsContact C-N 3.34Å; A458-I531 HydrophobicContact CB-CD1 3.92Å; A458-I531 HydrophobicContact CB-CG1 4.35Å; A458-I531 WeakPolarHBondContact O-CG2 3.46Å
459D95.4Very high96.7Very high60 Ų6025.1 Ų25.132%0.32114%0.135SC..  trans-86.4135.6173.9-179.1-90.5000111.4S456 I457 E461 V462 I463S456-D459 WeakPolarHBondContact O-CB 3.41Å; I457-D459 PolarHBondContact O-N 3.34Å; D459-E461 PolarHBondContact O-N 3.09Å; D459-E461 WeakPolarHBondContact OD1-CA 3.4Å; D459-E461 VanDerWaalsContact OD1-CB 3.26Å; D459-E461 WeakPolarHBondContact OD1-CB 3.38Å; D459-E461 PolarHBondContact OD1-N 3.5Å; D459-V462 HydrophobicContact CB-CB 4.23Å; D459-V462 HydrophobicContact CB-CG2 4.09Å; D459-V462 WeakPolarHBondContact O-CB 3.44Å; D459-V462 PolarHBondContact O-N 2.7Å; D459-V462 PolarHBondContact OD1-N 3.29Å; D459-I463 WeakPolarHBondContact O-CG1 3.45Å; D459-I463 PolarHBondContact O-N 3.03Å
460F96.1Very high96.8Very high1 Ų123.6 Ų23.60%0.00413%0.125CC..Hα-helixtrans-66.8-34.6-176.4-174.4-114000112.9V462 I463 V464 Y519 V523 A526 I531 L533 F557F460-V462 VanDerWaalsContact C-N 3.31Å; F460-I463 PolarHBondContact O-N 3.47Å; F460-V464 HydrophobicContact CD1-CG2 4.03Å; F460-V464 HydrophobicContact CD2-CG2 4.2Å; F460-V464 HydrophobicContact CE1-CG2 3.58Å; F460-V464 HydrophobicContact CE2-CG2 3.75Å; F460-V464 HydrophobicContact CG-CG2 4.32Å; F460-V464 HydrophobicContact CZ-CG2 3.42Å; F460-V464 VanDerWaalsContact CZ-CG2 3.42Å; F460-V464 VanDerWaalsContact O-CG2 3.31Å; F460-V464 WeakPolarHBondContact O-CG2 3.16Å; F460-V464 PolarHBondContact O-N 3.3Å; F460-Y519 AromaticContact CE1-CE2 3.96Å; F460-Y519 HydrophobicContact CE1-CE2 3.96Å; F460-Y519 AromaticContact CZ-CE2 3.94Å; F460-Y519 HydrophobicContact CZ-CE2 3.94Å; F460-V523 HydrophobicContact CE2-CG2 4.38Å; F460-V523 HydrophobicContact CZ-CG2 3.88Å; F460-A526 HydrophobicContact CD2-CB 3.61Å; F460-A526 HydrophobicContact CE2-CB 3.7Å; F460-I531 HydrophobicContact CB-CG2 4.39Å; F460-L533 HydrophobicContact CD1-CB 4.38Å; F460-L533 HydrophobicContact CE1-CB 4.25Å; F460-L533 HydrophobicContact CE1-CD2 4.39Å; F460-L533 HydrophobicContact CE1-CG 4.29Å; F460-L533 HydrophobicContact CE2-CG 4.22Å; F460-L533 HydrophobicContact CZ-CB 4.5Å; F460-L533 HydrophobicContact CZ-CD2 4.08Å; F460-L533 HydrophobicContact CZ-CG 4.04Å; F460-F557 AromaticContact CD1-CE2 3.67Å; F460-F557 HydrophobicContact CD1-CE2 3.67Å; F460-F557 AromaticContact CD1-CZ 3.68Å; F460-F557 HydrophobicContact CD1-CZ 3.68Å; F460-F557 HydrophobicContact CE1-CD2 4.15Å; F460-F557 AromaticContact CE1-CE2 3.48Å; F460-F557 HydrophobicContact CE1-CE2 3.48Å; F460-F557 VanDerWaalsContact CE1-CE2 3.48Å; F460-F557 AromaticContact CE1-CZ 3.94Å; F460-F557 HydrophobicContact CE1-CZ 3.94Å
461E95.5Very high96.9Very high32 Ų3225 Ų2515%0.1513%0.133CC..Hα-helixtrans-66.1-37.5175.4174.9171.8-124.100110.8N360 D459 T465 P536 Y556 F557N360-E461 HydrophobicContact CB-CG 3.98Å; D459-E461 PolarHBondContact O-N 3.09Å; D459-E461 WeakPolarHBondContact OD1-CA 3.4Å; D459-E461 VanDerWaalsContact OD1-CB 3.26Å; D459-E461 WeakPolarHBondContact OD1-CB 3.38Å; D459-E461 PolarHBondContact OD1-N 3.5Å; E461-T465 VanDerWaalsContact O-CB 3.22Å; E461-T465 WeakPolarHBondContact O-CB 3.18Å; E461-T465 PolarHBondContact O-N 3.03Å; E461-T465 PolarHBondContact O-OG1 3.23Å; E461-P536 HydrophobicContact CB-CG 4.3Å; E461-P536 HydrophobicContact CG-CG 4.31Å; E461-P536 WeakPolarHBondContact OE1-CG 3.14Å; E461-P536 WeakPolarHBondContact OE2-CG 3.24Å; E461-Y556 PolarHBondContact OE1-OH 2.82Å; E461-F557 HydrophobicContact CB-CE1 3.87Å; E461-F557 HydrophobicContact CB-CZ 4.3Å; E461-F557 HydrophobicContact CG-CE1 4.03Å
462V96.5Very high97Very high12 Ų1219.5 Ų19.57%0.07311%0.111CC..Hα-helixtrans-62.1-48.1172.5170.70000111I363 V364 S456 D459 F460 T465 V466I363-V462 HydrophobicContact CG2-CG2 3.78Å; V364-V462 HydrophobicContact CG2-CG1 4.14Å; S456-V462 WeakPolarHBondContact O-CG2 3.47Å; D459-V462 HydrophobicContact CB-CB 4.23Å; D459-V462 HydrophobicContact CB-CG2 4.09Å; D459-V462 WeakPolarHBondContact O-CB 3.44Å; D459-V462 PolarHBondContact O-N 2.7Å; D459-V462 PolarHBondContact OD1-N 3.29Å; F460-V462 VanDerWaalsContact C-N 3.31Å; V462-T465 PolarHBondContact O-N 3.17Å; V462-V466 HydrophobicContact CG1-CG2 4.45Å; V462-V466 VanDerWaalsContact O-CG2 3.3Å; V462-V466 WeakPolarHBondContact O-CG2 3.39Å; V462-V466 PolarHBondContact O-N 3.47Å
463I97.8Very high97.1Very high1 Ų117.1 Ų17.11%0.0059%0.094CC..Hα-helixtrans-60.1-51.3179.5-68.2168.2000111.5L424 D459 F460 T465 V466 V467 A522 L525 A526 M529 I531L424-I463 HydrophobicContact CD2-CG1 4.06Å; D459-I463 WeakPolarHBondContact O-CG1 3.45Å; D459-I463 PolarHBondContact O-N 3.03Å; F460-I463 PolarHBondContact O-N 3.47Å; I463-T465 VanDerWaalsContact C-N 3.28Å; I463-T465 PolarHBondContact O-N 3.2Å; I463-V466 PolarHBondContact O-N 3.42Å; I463-V467 WeakPolarHBondContact O-CG2 3.1Å; I463-V467 PolarHBondContact O-N 3.11Å; I463-A522 HydrophobicContact CG2-CB 4.38Å; I463-L525 HydrophobicContact CG2-CB 4.5Å; I463-A526 HydrophobicContact CD1-CB 4.49Å; I463-M529 HydrophobicContact CD1-CE 3.64Å; I463-M529 HydrophobicContact CG1-CE 4.41Å; I463-I531 HydrophobicContact CD1-CB 4.46Å; I463-I531 HydrophobicContact CD1-CD1 3.41Å; I463-I531 VanDerWaalsContact CD1-CD1 3.41Å; I463-I531 HydrophobicContact CD1-CG2 4.2Å
464V98Very high97.1Very high2 Ų219.9 Ų19.91%0.01211%0.111CC..Hα-helixtrans-59.1-42.6178.5172.70000110.4F460 V466 V467 I468 Y519 A522 F557F460-V464 HydrophobicContact CD1-CG2 4.03Å; F460-V464 HydrophobicContact CD2-CG2 4.2Å; F460-V464 HydrophobicContact CE1-CG2 3.58Å; F460-V464 HydrophobicContact CE2-CG2 3.75Å; F460-V464 HydrophobicContact CG-CG2 4.32Å; F460-V464 HydrophobicContact CZ-CG2 3.42Å; F460-V464 VanDerWaalsContact CZ-CG2 3.42Å; F460-V464 VanDerWaalsContact O-CG2 3.31Å; F460-V464 WeakPolarHBondContact O-CG2 3.16Å; F460-V464 PolarHBondContact O-N 3.3Å; V464-V466 PolarHBondContact O-N 3.32Å; V464-V467 PolarHBondContact O-N 3.14Å; V464-I468 HydrophobicContact CG1-CD1 3.57Å; V464-I468 HydrophobicContact CG1-CG1 4.39Å; V464-I468 WeakPolarHBondContact O-CD1 3.04Å; V464-I468 VanDerWaalsContact O-CG1 3.26Å; V464-I468 WeakPolarHBondContact O-CG1 3.49Å; V464-I468 PolarHBondContact O-N 2.89Å; V464-Y519 HydrophobicContact CG2-CD2 4.49Å; V464-Y519 HydrophobicContact CG2-CE2 4.48Å; V464-A522 HydrophobicContact CB-CB 4.22Å; V464-A522 HydrophobicContact CG2-CB 3.59Å; V464-F557 HydrophobicContact CB-CD1 4.08Å; V464-F557 HydrophobicContact CB-CE1 4.25Å; V464-F557 HydrophobicContact CG1-CB 4.02Å; V464-F557 HydrophobicContact CG1-CD1 3.67Å; V464-F557 HydrophobicContact CG1-CE1 4.34Å; V464-F557 HydrophobicContact CG1-CG 3.86Å; V464-F557 HydrophobicContact CG2-CD1 4.42Å; V464-F557 HydrophobicContact CG2-CE1 4.43Å
465T98.3Very high97Very high0 Ų022.8 Ų22.80%012%0.121CC..Hα-helixtrans-62.6-43.2177.9-57.80000111.9N360 V361 V364 E461 V462 I463 I468 L469 V561N360-T465 HydrophobicContact CB-CG2 4.4Å; N360-T465 WeakPolarHBondContact ND2-CG2 3.33Å; N360-T465 PolarHBondContact ND2-OG1 2.79Å; V361-T465 HydrophobicContact CG2-CG2 3.9Å; V364-T465 HydrophobicContact CG2-CG2 3.82Å; E461-T465 VanDerWaalsContact O-CB 3.22Å; E461-T465 WeakPolarHBondContact O-CB 3.18Å; E461-T465 PolarHBondContact O-N 3.03Å; E461-T465 PolarHBondContact O-OG1 3.23Å; V462-T465 PolarHBondContact O-N 3.17Å; I463-T465 VanDerWaalsContact C-N 3.28Å; I463-T465 PolarHBondContact O-N 3.2Å; T465-I468 PolarHBondContact O-N 3.29Å; T465-L469 HydrophobicContact CG2-CD1 3.97Å; T465-L469 HydrophobicContact CG2-CG 4.38Å; T465-L469 WeakPolarHBondContact O-CB 3.28Å; T465-L469 VanDerWaalsContact O-CG 3.29Å; T465-L469 WeakPolarHBondContact O-CG 3.28Å; T465-L469 PolarHBondContact O-N 2.94Å; T465-V561 HydrophobicContact CG2-CG1 4.44Å
466V98.4Very high97.1Very high4 Ų417.9 Ų17.92%0.02410%0.098CC..Hα-helixtrans-63.5-42.5176.6176.50000111.2V364 F417 L420 L421 V462 I463 V464 L469 K470V364-V466 HydrophobicContact CB-CG2 4.42Å; V364-V466 HydrophobicContact CG1-CG2 3.66Å; V364-V466 HydrophobicContact CG2-CG2 3.81Å; F417-V466 HydrophobicContact CB-CG1 4.4Å; F417-V466 HydrophobicContact CD1-CG1 4.35Å; L420-V466 HydrophobicContact CD2-CB 4.45Å; L420-V466 HydrophobicContact CD2-CG1 3.76Å; L420-V466 HydrophobicContact CD2-CG2 3.72Å; L420-V466 HydrophobicContact CG-CG1 4.22Å; L421-V466 HydrophobicContact CD1-CG1 4.19Å; L421-V466 HydrophobicContact CD2-CB 4.11Å; L421-V466 HydrophobicContact CD2-CG1 3.51Å; L421-V466 HydrophobicContact CG-CG1 3.61Å; V462-V466 HydrophobicContact CG1-CG2 4.45Å; V462-V466 VanDerWaalsContact O-CG2 3.3Å; V462-V466 WeakPolarHBondContact O-CG2 3.39Å; V462-V466 PolarHBondContact O-N 3.47Å; I463-V466 PolarHBondContact O-N 3.42Å; V464-V466 PolarHBondContact O-N 3.32Å; V466-L469 PolarHBondContact O-N 2.69Å; V466-K470 VanDerWaalsContact O-CB 3.26Å; V466-K470 WeakPolarHBondContact O-CB 3.36Å; V466-K470 PolarHBondContact O-N 3.03Å
467V98.6Very high97Very high0 Ų019.5 Ų19.50%010%0.1CC..Hα-helixtrans-61.9-43.5177.3172.40000111.3L421 I463 V464 K470 N471 W518 E521 A522 L525L421-V467 HydrophobicContact CD1-CG2 4.02Å; L421-V467 HydrophobicContact CD2-CG2 3.85Å; I463-V467 WeakPolarHBondContact O-CG2 3.1Å; I463-V467 PolarHBondContact O-N 3.11Å; V464-V467 PolarHBondContact O-N 3.14Å; V467-K470 PolarHBondContact O-N 2.93Å; V467-N471 PolarHBondContact O-N 3.13Å; V467-N471 PolarHBondContact O-ND2 3.12Å; V467-W518 HydrophobicContact CG1-CB 4.33Å; V467-W518 WeakPolarHBondContact CG1-O 3.25Å; V467-E521 HydrophobicContact CG1-CB 4.09Å; V467-E521 HydrophobicContact CG1-CG 4.04Å; V467-A522 HydrophobicContact CB-CB 4.21Å; V467-A522 HydrophobicContact CG1-CB 4.41Å; V467-A522 HydrophobicContact CG2-CB 4Å; V467-L525 HydrophobicContact CG2-CD1 3.88Å
468I98.5Very high97Very high1 Ų122.3 Ų22.31%0.00512%0.124CC..Hα-helixtrans-64.4-48.6176.3-68.2161.4000110.5V464 T465 K470 N471 V472 W518 V561 T562 V565V464-I468 HydrophobicContact CG1-CD1 3.57Å; V464-I468 HydrophobicContact CG1-CG1 4.39Å; V464-I468 WeakPolarHBondContact O-CD1 3.04Å; V464-I468 VanDerWaalsContact O-CG1 3.26Å; V464-I468 WeakPolarHBondContact O-CG1 3.49Å; V464-I468 PolarHBondContact O-N 2.89Å; T465-I468 PolarHBondContact O-N 3.29Å; I468-K470 VanDerWaalsContact C-N 3.33Å; I468-K470 PolarHBondContact O-N 2.87Å; I468-N471 PolarHBondContact O-N 3.3Å; I468-V472 HydrophobicContact CG2-CG2 4.16Å; I468-V472 WeakPolarHBondContact O-CB 3.27Å; I468-V472 WeakPolarHBondContact O-CG2 3.41Å; I468-V472 PolarHBondContact O-N 2.91Å; I468-W518 HydrophobicContact CG1-CE3 4.29Å; I468-W518 HydrophobicContact CG2-CE3 4.43Å; I468-W518 HydrophobicContact CG2-CZ3 4.44Å; I468-V561 HydrophobicContact CD1-CB 4.12Å; I468-V561 HydrophobicContact CD1-CG1 3.52Å; I468-T562 WeakPolarHBondContact CD1-OG1 3.34Å; I468-T562 HydrophobicContact CG2-CG2 4.45Å; I468-V565 HydrophobicContact CG2-CB 4.09Å; I468-V565 HydrophobicContact CG2-CG1 3.93Å
469L98.4Very high97Very high0 Ų021.2 Ų21.20%011%0.114CC..Hα-helixtrans-58.2-45.1177.9-75.1169.5000111.5A353 L356 V361 V364 F417 T465 V466 N471 L473 V565A353-L469 HydrophobicContact CB-CD2 4.44Å; L356-L469 HydrophobicContact CD1-CD2 4.3Å; V361-L469 HydrophobicContact CG1-CD1 4.2Å; V361-L469 HydrophobicContact CG1-CD2 4.42Å; V361-L469 HydrophobicContact CG2-CD1 4.5Å; V361-L469 HydrophobicContact CG2-CD2 4.48Å; V364-L469 HydrophobicContact CB-CD1 4.49Å; V364-L469 HydrophobicContact CG1-CD1 4.16Å; F417-L469 HydrophobicContact CD1-CB 4.04Å; F417-L469 HydrophobicContact CD1-CD1 4.26Å; F417-L469 HydrophobicContact CD2-CB 4.24Å; F417-L469 HydrophobicContact CE1-CB 4.14Å; F417-L469 HydrophobicContact CE1-CD1 3.7Å; F417-L469 HydrophobicContact CE2-CB 4.35Å; F417-L469 HydrophobicContact CG-CB 4.09Å; F417-L469 HydrophobicContact CZ-CB 4.29Å; F417-L469 HydrophobicContact CZ-CD1 4.04Å; T465-L469 HydrophobicContact CG2-CD1 3.97Å; T465-L469 HydrophobicContact CG2-CG 4.38Å; T465-L469 WeakPolarHBondContact O-CB 3.28Å; T465-L469 VanDerWaalsContact O-CG 3.29Å; T465-L469 WeakPolarHBondContact O-CG 3.28Å; T465-L469 PolarHBondContact O-N 2.94Å; V466-L469 PolarHBondContact O-N 2.69Å; L469-N471 PolarHBondContact O-N 3.34Å; L469-L473 HydrophobicContact CB-CD1 4.34Å; L469-L473 HydrophobicContact CD2-CD1 4.1Å; L469-L473 WeakPolarHBondContact O-CB 3.49Å; L469-L473 WeakPolarHBondContact O-CG 3.35Å; L469-L473 PolarHBondContact O-N 3.46Å; L469-V565 HydrophobicContact CD2-CG1 3.83Å
470K98Very high97Very high39 Ų3918.3 Ų18.317%0.1710%0.099CC..Hα-helixtrans-55.5-51175.5174.7-119.4-173.3-179.30111.4F417 L421 V466 V467 I468 T474 E521F417-K470 HydrophobicContact CB-CB 3.72Å; F417-K470 HydrophobicContact CB-CG 4.48Å; L421-K470 HydrophobicContact CD1-CB 3.91Å; L421-K470 HydrophobicContact CD1-CD 3.65Å; L421-K470 HydrophobicContact CD1-CG 3.88Å; V466-K470 VanDerWaalsContact O-CB 3.26Å; V466-K470 WeakPolarHBondContact O-CB 3.36Å; V466-K470 PolarHBondContact O-N 3.03Å; V467-K470 PolarHBondContact O-N 2.93Å; I468-K470 VanDerWaalsContact C-N 3.33Å; I468-K470 PolarHBondContact O-N 2.87Å; K470-T474 PolarHBondContact O-N 3.12Å; K470-T474 PolarHBondContact O-OG1 3.34Å; K470-E521 IonicContact NZ-OE1 3.84Å; K470-E521 PolarHBondContact NZ-OE1 2.71Å; K470-E521 IonicContact NZ-OE2 2.86Å
471N98.1Very high96.9Very high29 Ų2924.1 Ų24.116%0.15512%0.12CC..Hα-helixtrans-71.7-40.6-176-73.3-54.8000112.6V467 I468 L469 F475 W518 E521V467-N471 PolarHBondContact O-N 3.13Å; V467-N471 PolarHBondContact O-ND2 3.12Å; I468-N471 PolarHBondContact O-N 3.3Å; L469-N471 PolarHBondContact O-N 3.34Å; N471-F475 WeakPolarHBondContact O-CE2 3.38Å; N471-W518 HydrophobicContact CB-CD2 3.94Å; N471-W518 VanDerWaalsContact CB-CE2 3.48Å; N471-W518 HydrophobicContact CB-CG 4.14Å; N471-W518 HydrophobicContact CB-CZ2 3.88Å; N471-E521 PolarHBondContact ND2-OE2 2.84Å
472V97.7Very high96.9Very high0 Ų025.3 Ų25.30%013%0.128CC..Hα-helixtrans-68.8-46177.1174.60000111.8I468 T474 F475 L504 W518 I566 I569I468-V472 HydrophobicContact CG2-CG2 4.16Å; I468-V472 WeakPolarHBondContact O-CB 3.27Å; I468-V472 WeakPolarHBondContact O-CG2 3.41Å; I468-V472 PolarHBondContact O-N 2.91Å; V472-T474 PolarHBondContact O-N 3.24Å; V472-F475 WeakPolarHBondContact O-CD2 3.39Å; V472-F475 PolarHBondContact O-N 3.33Å; V472-L504 HydrophobicContact CG1-CD2 4.26Å; V472-W518 HydrophobicContact CG2-CH2 3.57Å; V472-W518 HydrophobicContact CG2-CZ3 3.67Å; V472-I566 HydrophobicContact CG1-CB 4.49Å; V472-I566 HydrophobicContact CG1-CG1 4.35Å; V472-I566 HydrophobicContact CG2-CB 4.28Å; V472-I569 HydrophobicContact CG1-CB 4.1Å; V472-I569 HydrophobicContact CG1-CG1 4.02Å; V472-I569 HydrophobicContact CG1-CG2 4.11Å
473L97.8Very high96.8Very high2 Ų225 Ų251%0.0113%0.126CC..Hα-helixtrans-78.2-4.9-176.7-67.9168.7000113.5N349 L352 A353 F417 L469 F475 T476 R477 I569N349-L473 HydrophobicContact CB-CB 4.21Å; N349-L473 HydrophobicContact CB-CD1 4.24Å; N349-L473 HydrophobicContact CB-CD2 4.35Å; N349-L473 PolarHBondContact ND2-O 3.39Å; L352-L473 HydrophobicContact CB-CD2 4.11Å; L352-L473 HydrophobicContact CD1-CD2 3.91Å; A353-L473 HydrophobicContact CB-CD1 4.22Å; F417-L473 HydrophobicContact CD2-CD1 3.78Å; F417-L473 HydrophobicContact CE2-CD1 3.3Å; F417-L473 HydrophobicContact CZ-CD1 4.17Å; L469-L473 HydrophobicContact CB-CD1 4.34Å; L469-L473 HydrophobicContact CD2-CD1 4.1Å; L469-L473 WeakPolarHBondContact O-CB 3.49Å; L469-L473 WeakPolarHBondContact O-CG 3.35Å; L469-L473 PolarHBondContact O-N 3.46Å; L473-F475 PolarHBondContact O-N 3.29Å; L473-T476 PolarHBondContact O-N 2.77Å; L473-T476 PolarHBondContact O-OG1 3.21Å; L473-R477 PolarHBondContact O-N 2.95Å; L473-I569 HydrophobicContact CD2-CD1 3.69Å; L473-I569 HydrophobicContact CD2-CG1 4.21Å; L473-I569 HydrophobicContact CD2-CG2 4.16Å; L473-I569 HydrophobicContact CG-CD1 4.42Å
474T96.4Very high96.5Very high61 Ų6127.5 Ų27.537%0.37414%0.138SC..Hα-helixtrans-62.5-34.8170.3-70.30000111.2K470 V472 T476 R477K470-T474 PolarHBondContact O-N 3.12Å; K470-T474 PolarHBondContact O-OG1 3.34Å; V472-T474 PolarHBondContact O-N 3.24Å; T474-T476 VanDerWaalsContact C-N 3.31Å; T474-T476 PolarHBondContact O-N 3.45Å; T474-R477 WeakPolarHBondContact O-CB 3.19Å; T474-R477 PolarHBondContact O-N 2.71Å
475F95.8Very high96.2Very high69 Ų6928.6 Ų28.630%0.30315%0.149SC..Hα-helixtrans-68.6-27.2179.2-61.2-76.9000113.3N471 V472 L473 L504 V507N471-F475 WeakPolarHBondContact O-CE2 3.38Å; V472-F475 WeakPolarHBondContact O-CD2 3.39Å; V472-F475 PolarHBondContact O-N 3.33Å; L473-F475 PolarHBondContact O-N 3.29Å; F475-L504 HydrophobicContact CB-CD2 3.89Å; F475-L504 HydrophobicContact CB-CG 4.3Å; F475-L504 HydrophobicContact CD2-CD2 4.08Å; F475-L504 HydrophobicContact CG-CD2 4.26Å; F475-V507 HydrophobicContact CE1-CG2 4.24Å; F475-V507 HydrophobicContact CE2-CG2 3.72Å; F475-V507 HydrophobicContact CZ-CG2 3.54Å
476T96.3Very high95.9Very high0 Ų033.7 Ų33.70%017%0.173CC..Hα-helixtrans-93.1-8.3177.253.10000113.3N349 L352 L473 T474 F479 G480 V500 L504 V573N349-T476 PolarHBondContact OD1-OG1 2.79Å; L352-T476 HydrophobicContact CD1-CG2 3.99Å; L473-T476 PolarHBondContact O-N 2.77Å; L473-T476 PolarHBondContact O-OG1 3.21Å; T474-T476 VanDerWaalsContact C-N 3.31Å; T474-T476 PolarHBondContact O-N 3.45Å; T476-F479 PolarHBondContact O-N 2.93Å; T476-G480 PolarHBondContact O-N 2.99Å; T476-V500 HydrophobicContact CG2-CG1 4.05Å; T476-L504 HydrophobicContact CG2-CD1 4.32Å; T476-V573 HydrophobicContact CG2-CG2 4.09Å
477R94.8Very high95.7Very high63 Ų6334.1 Ų34.124%0.23818%0.176CC..Hα-helixtrans-62.1-49-172.9-179.4175.7172.3175.4-2.2113.6H414 N415 D418 L473 T474 R481H414-R477 HydrophobicContact CB-CG 4.06Å; N415-R477 VanDerWaalsContact CB-NH2 3.31Å; D418-R477 IonicContact OD2-NH1 2.76Å; D418-R477 PolarHBondContact OD2-NH1 2.84Å; D418-R477 VanDerWaalsContact OD2-NH1 3.11Å; L473-R477 PolarHBondContact O-N 2.95Å; T474-R477 WeakPolarHBondContact O-CB 3.19Å; T474-R477 PolarHBondContact O-N 2.71Å; R477-R481 WeakPolarHBondContact O-CG 3.45Å; R477-R481 PolarHBondContact O-N 2.95Å; R477-R481 VanDerWaalsContact O-N 3.11Å
478A95.4Very high95.6Very high64 Ų6436.5 Ų36.553%0.52919%0.188SC..Hα-helixtrans-68.6-42.3-18000000111.1R481 N482A478-R481 PolarHBondContact O-N 3.33Å; A478-N482 PolarHBondContact O-N 3.11Å; A478-N482 PolarHBondContact O-OD1 3.02Å
479F95.7Very high95.5Very high5 Ų539.4 Ų39.42%0.02220%0.204CC..Hα-helixtrans-59.3-48.8175.9172.9-93.7000111.9L348 T476 R481 N482 L483 A493 L497 V500 F577L348-F479 HydrophobicContact CD2-CD1 3.44Å; L348-F479 VanDerWaalsContact CD2-CD1 3.44Å; L348-F479 HydrophobicContact CD2-CE1 3.68Å; T476-F479 PolarHBondContact O-N 2.93Å; F479-R481 PolarHBondContact O-N 3.36Å; F479-N482 PolarHBondContact O-N 3.3Å; F479-N482 VanDerWaalsContact O-N 3.17Å; F479-L483 HydrophobicContact CD1-CD1 4.02Å; F479-L483 HydrophobicContact CE1-CD1 3.45Å; F479-L483 VanDerWaalsContact CE1-CD1 3.45Å; F479-L483 HydrophobicContact CE1-CG 4.19Å; F479-L483 HydrophobicContact CZ-CD1 3.87Å; F479-L483 HydrophobicContact CZ-CD2 4.4Å; F479-L483 HydrophobicContact CZ-CG 4.3Å; F479-L483 PolarHBondContact O-N 3.18Å; F479-A493 HydrophobicContact CD2-CB 3.95Å; F479-A493 HydrophobicContact CE2-CB 3.99Å; F479-A493 VanDerWaalsContact CE2-O 3.23Å; F479-A493 WeakPolarHBondContact CE2-O 3.29Å; F479-L497 HydrophobicContact CE1-CD1 4.31Å; F479-L497 HydrophobicContact CE2-CB 4.07Å; F479-L497 HydrophobicContact CE2-CD1 3.93Å; F479-L497 HydrophobicContact CZ-CD1 3.68Å; F479-V500 HydrophobicContact CB-CG2 3.87Å; F479-V500 HydrophobicContact CD2-CG2 4.09Å; F479-V500 HydrophobicContact CG-CG2 4.1Å; F479-F577 HydrophobicContact CE1-CD2 4.02Å; F479-F577 HydrophobicContact CE1-CE1 4.22Å; F479-F577 AromaticContact CE1-CE2 3.49Å; F479-F577 HydrophobicContact CE1-CE2 3.49Å; F479-F577 VanDerWaalsContact CE1-CE2 3.49Å; F479-F577 AromaticContact CE1-CZ 3.62Å; F479-F577 HydrophobicContact CE1-CZ 3.62Å; F479-F577 HydrophobicContact CZ-CD1 4.18Å; F479-F577 HydrophobicContact CZ-CD2 4.02Å; F479-F577 HydrophobicContact CZ-CE1 4.03Å; F479-F577 AromaticContact CZ-CE2 3.88Å; F479-F577 HydrophobicContact CZ-CE2 3.88Å; F479-F577 HydrophobicContact CZ-CG 4.19Å; F479-F577 AromaticContact CZ-CZ 3.9Å; F479-F577 HydrophobicContact CZ-CZ 3.9Å
480G95.2Very high95.3Very high0 Ų039.5 Ų39.50%020%0.204CC..Hα-helixtrans-61.8-38.9176.300000113.7H414 T476 N482 L483 Q484H414-G480 PolarHBondContact CE1-O 3.46Å; H414-G480 WeakPolarHBondContact NE2-CA 3.27Å; H414-G480 PolarHBondContact NE2-O 3.43Å; T476-G480 PolarHBondContact O-N 2.99Å; G480-N482 VanDerWaalsContact C-N 3.33Å; G480-N482 PolarHBondContact O-N 3.3Å; G480-L483 PolarHBondContact O-N 3.17Å; G480-Q484 PolarHBondContact O-N 3.48Å
481R94.3Very high95.2Very high122 Ų12237.9 Ų37.946%0.4620%0.197SC..Hα-helixtrans-61.3-41.8173.4-77.7178.1175.1-169.4-5.7112.1H414 R477 A478 F479 L483 Q484 G485H414-R481 HydrophobicContact CB-CG 4.44Å; R477-R481 WeakPolarHBondContact O-CG 3.45Å; R477-R481 PolarHBondContact O-N 2.95Å; R477-R481 VanDerWaalsContact O-N 3.11Å; A478-R481 PolarHBondContact O-N 3.33Å; F479-R481 PolarHBondContact O-N 3.36Å; R481-L483 VanDerWaalsContact C-N 3.34Å; R481-Q484 CarbonylContact O-C 3.49Å; R481-Q484 PolarHBondContact O-N 2.78Å; R481-G485 PolarHBondContact O-N 3.47Å
482N95.2Very high95.1Very high58 Ų5838.4 Ų38.431%0.3120%0.203SC..Hα-helixtrans-68-33.8178.4-69.4-4.9000112A478 F479 G480 Q484 G485 D489 V490 A493A478-N482 PolarHBondContact O-N 3.11Å; A478-N482 PolarHBondContact O-OD1 3.02Å; F479-N482 PolarHBondContact O-N 3.3Å; F479-N482 VanDerWaalsContact O-N 3.17Å; G480-N482 VanDerWaalsContact C-N 3.33Å; G480-N482 PolarHBondContact O-N 3.3Å; N482-Q484 PolarHBondContact O-N 2.9Å; N482-G485 PolarHBondContact O-N 3.36Å; N482-D489 HydrophobicContact CB-CB 4.14Å; N482-D489 CarbonylContact O-C 3.47Å; N482-D489 WeakPolarHBondContact O-CB 3.45Å; N482-V490 PolarHBondContact O-N 3.19Å; N482-A493 HydrophobicContact CB-CB 3.82Å
483L94.2Very high95Very high4 Ų438.4 Ų38.42%0.02120%0.203CC..Hα-helixtrans-63.7-27.5173.2-70.8177000113.6L348 F479 G480 R481 V490 A493 F577 L585 V672L348-L483 HydrophobicContact CD2-CD1 4.23Å; F479-L483 HydrophobicContact CD1-CD1 4.02Å; F479-L483 HydrophobicContact CE1-CD1 3.45Å; F479-L483 VanDerWaalsContact CE1-CD1 3.45Å; F479-L483 HydrophobicContact CE1-CG 4.19Å; F479-L483 HydrophobicContact CZ-CD1 3.87Å; F479-L483 HydrophobicContact CZ-CD2 4.4Å; F479-L483 HydrophobicContact CZ-CG 4.3Å; F479-L483 PolarHBondContact O-N 3.18Å; G480-L483 PolarHBondContact O-N 3.17Å; R481-L483 VanDerWaalsContact C-N 3.34Å; L483-V490 HydrophobicContact CD2-CG1 4.13Å; L483-V490 WeakPolarHBondContact O-CG2 3.46Å; L483-A493 HydrophobicContact CD2-CB 3.8Å; L483-A493 HydrophobicContact CG-CB 4.07Å; L483-F577 HydrophobicContact CD1-CE1 3.59Å; L483-F577 HydrophobicContact CD1-CE2 4.32Å; L483-F577 HydrophobicContact CD1-CZ 3.28Å; L483-F577 HydrophobicContact CD2-CE1 4.22Å; L483-L585 HydrophobicContact CD2-CD1 4.34Å; L483-V672 HydrophobicContact CB-CG2 4.12Å; L483-V672 HydrophobicContact CD2-CG2 4.21Å
484Q91.3Very high94.8Very high55 Ų5538.4 Ų38.426%0.25720%0.204SC..THydrogen-bonded Turntrans-95.57174.1-64.4-174.8-23.300113.1S344 M346 H414 G480 R481 N482S344-Q484 PolarHBondContact O-NE2 3.28Å; S344-Q484 VanDerWaalsContact O-NE2 3.09Å; M346-Q484 PolarHBondContact O-NE2 3.18Å; H414-Q484 PolarHBondContact CE1-OE1 2.75Å; G480-Q484 PolarHBondContact O-N 3.48Å; R481-Q484 CarbonylContact O-C 3.49Å; R481-Q484 PolarHBondContact O-N 2.78Å; N482-Q484 PolarHBondContact O-N 2.9Å
485G91.8Very high94.6Very high25 Ų2538.6 Ų38.626%0.25820%0.202SC..SBendtrans-84-158.9-179.800000113.5R481 N482R481-G485 PolarHBondContact O-N 3.47Å; N482-G485 PolarHBondContact O-N 3.36Å
486E91.8Very high94.6Very high107 Ų10737.2 Ų37.250%0.520%0.201SC..  trans-76.1170.6172-67.8-167.9172.600111.1L488 D489 V490E486-L488 PolarHBondContact O-N 3.24Å; E486-L488 VanDerWaalsContact O-N 3.12Å; E486-D489 PolarHBondContact N-OD2 3.06Å; E486-D489 WeakPolarHBondContact O-CA 3.41Å; E486-D489 WeakPolarHBondContact O-CB 3.49Å; E486-D489 PolarHBondContact O-N 3.03Å; E486-V490 PolarHBondContact O-N 2.93Å; E486-V490 VanDerWaalsContact O-N 3.08Å
487T94.8Very high94.5Very high13 Ų1337.6 Ų37.68%0.0820%0.203CC..Hα-helixtrans-54.9-36.9-175.8-57.20000113.7F491 L588 V591 V594 T643T487-F491 WeakPolarHBondContact O-CB 3.42Å; T487-F491 PolarHBondContact O-N 3.37Å; T487-L588 HydrophobicContact CG2-CB 3.85Å; T487-L588 HydrophobicContact CG2-CD1 4.2Å; T487-L588 HydrophobicContact CG2-CD2 3.81Å; T487-L588 HydrophobicContact CG2-CG 4.15Å; T487-V591 HydrophobicContact CG2-CB 4.06Å; T487-V591 HydrophobicContact CG2-CG1 4.34Å; T487-V591 HydrophobicContact CG2-CG2 3.73Å; T487-V594 HydrophobicContact CG2-CG2 4.14Å; T487-T643 WeakPolarHBondContact CB-O 3.33Å
488L95.4Very high94.5Very high49 Ų4938.5 Ų38.526%0.25722%0.216SC..Hα-helixtrans-66.7-35.9175.6-179.962.7000112.7E486 S492 V594 H597E486-L488 PolarHBondContact O-N 3.24Å; E486-L488 VanDerWaalsContact O-N 3.12Å; L488-S492 VanDerWaalsContact O-CB 3.32Å; L488-S492 WeakPolarHBondContact O-CB 3.43Å; L488-S492 PolarHBondContact O-N 3.2Å; L488-S492 PolarHBondContact O-OG 3.02Å; L488-V594 HydrophobicContact CB-CG2 4.3Å; L488-V594 HydrophobicContact CD1-CB 4.46Å; L488-V594 HydrophobicContact CD1-CG1 4.29Å; L488-V594 HydrophobicContact CD1-CG2 4.18Å; L488-H597 HydrophobicContact CD1-CB 3.87Å
489D96.3Very high94.5Very high63 Ų6338.2 Ų38.234%0.33721%0.213SC..Hα-helixtrans-67.8-44.9178.1-58.9-43.3000110.2N482 E486 F491 S492 A493N482-D489 HydrophobicContact CB-CB 4.14Å; N482-D489 CarbonylContact O-C 3.47Å; N482-D489 WeakPolarHBondContact O-CB 3.45Å; E486-D489 PolarHBondContact N-OD2 3.06Å; E486-D489 WeakPolarHBondContact O-CA 3.41Å; E486-D489 WeakPolarHBondContact O-CB 3.49Å; E486-D489 PolarHBondContact O-N 3.03Å; D489-F491 VanDerWaalsContact C-N 3.34Å; D489-F491 PolarHBondContact O-N 2.97Å; D489-S492 CarbonylContact O-C 3.43Å; D489-S492 PolarHBondContact O-N 2.73Å; D489-A493 WeakPolarHBondContact O-CB 3.46Å; D489-A493 PolarHBondContact O-N 3.09Å
490V96.2Very high94.5Very high1 Ų138.7 Ų38.71%0.00622%0.217CC..Hα-helixtrans-60.9-45.2176.9-175.30000110.8N482 L483 E486 S492 A493 A494 L585 L588 L673N482-V490 PolarHBondContact O-N 3.19Å; L483-V490 HydrophobicContact CD2-CG1 4.13Å; L483-V490 WeakPolarHBondContact O-CG2 3.46Å; E486-V490 PolarHBondContact O-N 2.93Å; E486-V490 VanDerWaalsContact O-N 3.08Å; V490-S492 VanDerWaalsContact C-N 3.34Å; V490-S492 PolarHBondContact O-N 3.42Å; V490-A493 WeakPolarHBondContact O-CB 3.03Å; V490-A493 PolarHBondContact O-N 3.01Å; V490-A494 PolarHBondContact O-N 3.04Å; V490-L585 HydrophobicContact CG1-CD2 4.1Å; V490-L588 HydrophobicContact CB-CD1 3.78Å; V490-L588 HydrophobicContact CG1-CD1 3.6Å; V490-L673 HydrophobicContact CB-CD2 4.33Å; V490-L673 HydrophobicContact CG1-CD2 3.9Å; V490-L673 HydrophobicContact CG2-CD2 4.11Å
491F95.3Very high94.6Very high6 Ų640 Ų403%0.02622%0.224CC..Hα-helixtrans-59.4-44.5175177.4-96.1000112.2T487 D489 A493 A494 N495 L588 V594 M598 E604T487-F491 WeakPolarHBondContact O-CB 3.42Å; T487-F491 PolarHBondContact O-N 3.37Å; D489-F491 VanDerWaalsContact C-N 3.34Å; D489-F491 PolarHBondContact O-N 2.97Å; F491-A493 VanDerWaalsContact C-N 3.32Å; F491-A493 PolarHBondContact O-N 3.48Å; F491-A494 PolarHBondContact O-N 2.96Å; F491-N495 WeakPolarHBondContact CE1-ND2 3.31Å; F491-N495 WeakPolarHBondContact CZ-ND2 3.5Å; F491-N495 PolarHBondContact O-N 3.47Å; F491-N495 PolarHBondContact O-ND2 3.11Å; F491-L588 HydrophobicContact CB-CB 4.23Å; F491-L588 HydrophobicContact CD2-CB 4.22Å; F491-V594 HydrophobicContact CB-CG1 4.1Å; F491-V594 HydrophobicContact CD1-CG1 3.52Å; F491-V594 HydrophobicContact CD2-CG1 3.84Å; F491-V594 HydrophobicContact CE1-CG1 3.84Å; F491-V594 HydrophobicContact CE2-CG1 4.12Å; F491-V594 HydrophobicContact CG-CG1 3.52Å; F491-V594 HydrophobicContact CZ-CG1 4.14Å; F491-M598 HydrophobicContact CE1-CE 4.46Å; F491-M598 HydrophobicContact CE1-CG 4.1Å; F491-M598 HydrophobicContact CE1-SD 3.88Å; F491-M598 HydrophobicContact CE2-SD 4.14Å; F491-M598 HydrophobicContact CZ-CE 3.77Å; F491-M598 HydrophobicContact CZ-CG 4.18Å; F491-M598 HydrophobicContact CZ-SD 3.35Å; F491-M598 WeakPolarHBondContact CZ-SD 3.43Å; F491-E604 WeakPolarHBondContact CE2-OE2 3.24Å; F491-E604 WeakPolarHBondContact CZ-OE2 3.34Å
492S94.9Very high94.7Very high39 Ų3942.2 Ų42.227%0.27323%0.233SC..Hα-helixtrans-67.4-33.8178.1-580000111.8L488 D489 V490 N495 S496L488-S492 VanDerWaalsContact O-CB 3.32Å; L488-S492 WeakPolarHBondContact O-CB 3.43Å; L488-S492 PolarHBondContact O-N 3.2Å; L488-S492 PolarHBondContact O-OG 3.02Å; D489-S492 CarbonylContact O-C 3.43Å; D489-S492 PolarHBondContact O-N 2.73Å; V490-S492 VanDerWaalsContact C-N 3.34Å; V490-S492 PolarHBondContact O-N 3.42Å; S492-N495 PolarHBondContact O-N 3.1Å; S492-S496 WeakPolarHBondContact O-CB 3.48Å; S492-S496 PolarHBondContact O-N 3.05Å; S492-S496 VanDerWaalsContact O-N 3.08Å; S492-S496 PolarHBondContact O-OG 2.69Å
493A95.6Very high94.8Very high0 Ų041.9 Ų41.90%024%0.236CC..Hα-helixtrans-62.2-51.5172.100000110.4F479 N482 L483 D489 V490 F491 N495 S496 L497F479-A493 HydrophobicContact CD2-CB 3.95Å; F479-A493 HydrophobicContact CE2-CB 3.99Å; F479-A493 VanDerWaalsContact CE2-O 3.23Å; F479-A493 WeakPolarHBondContact CE2-O 3.29Å; N482-A493 HydrophobicContact CB-CB 3.82Å; L483-A493 HydrophobicContact CD2-CB 3.8Å; L483-A493 HydrophobicContact CG-CB 4.07Å; D489-A493 WeakPolarHBondContact O-CB 3.46Å; D489-A493 PolarHBondContact O-N 3.09Å; V490-A493 WeakPolarHBondContact O-CB 3.03Å; V490-A493 PolarHBondContact O-N 3.01Å; F491-A493 VanDerWaalsContact C-N 3.32Å; F491-A493 PolarHBondContact O-N 3.48Å; A493-N495 PolarHBondContact O-N 2.83Å; A493-N495 VanDerWaalsContact O-N 3.11Å; A493-S496 WeakPolarHBondContact CA-OG 3.45Å; A493-S496 PolarHBondContact O-N 3.04Å; A493-S496 PolarHBondContact O-OG 3.2Å; A493-L497 PolarHBondContact O-N 2.97Å; A493-L497 VanDerWaalsContact O-N 3.12Å
494A94.5Very high95Very high3 Ų341.8 Ų41.83%0.02524%0.235CC..Hα-helixtrans-55.2-33.7178.100000113V490 F491 L582 L585 K586V490-A494 PolarHBondContact O-N 3.04Å; F491-A494 PolarHBondContact O-N 2.96Å; A494-L582 HydrophobicContact CB-CD2 4.12Å; A494-L585 HydrophobicContact CB-CB 3.76Å; A494-L585 HydrophobicContact CB-CD1 4.34Å; A494-K586 HydrophobicContact CB-CG 4.44Å
495N92.6Very high95.3Very high64 Ų6441.7 Ų41.734%0.34224%0.236SC..Hα-helixtrans-83.3-14176.2-77.1-40000115F491 S492 A493 K586F491-N495 WeakPolarHBondContact CE1-ND2 3.31Å; F491-N495 WeakPolarHBondContact CZ-ND2 3.5Å; F491-N495 PolarHBondContact O-N 3.47Å; F491-N495 PolarHBondContact O-ND2 3.11Å; S492-N495 PolarHBondContact O-N 3.1Å; A493-N495 PolarHBondContact O-N 2.83Å; A493-N495 VanDerWaalsContact O-N 3.11Å; N495-K586 WeakPolarHBondContact OD1-CE 3.46Å; N495-K586 PolarHBondContact OD1-NZ 3.14Å
496S94.3Very high95.6Very high41 Ų4144.2 Ų44.229%0.28724%0.241SC..Hα-helixtrans-101.3-4.817860.70000114.1S492 A493 T498 A499 V500S492-S496 WeakPolarHBondContact O-CB 3.48Å; S492-S496 PolarHBondContact O-N 3.05Å; S492-S496 VanDerWaalsContact O-N 3.08Å; S492-S496 PolarHBondContact O-OG 2.69Å; A493-S496 WeakPolarHBondContact CA-OG 3.45Å; A493-S496 PolarHBondContact O-N 3.04Å; A493-S496 PolarHBondContact O-OG 3.2Å; S496-T498 VanDerWaalsContact C-N 3.25Å; S496-T498 PolarHBondContact O-N 3Å; S496-A499 WeakPolarHBondContact O-CB 3.34Å; S496-A499 PolarHBondContact O-N 3.43Å; S496-V500 PolarHBondContact O-N 2.93Å
497L95.1Very high95.8Very high7 Ų739.1 Ų39.14%0.03722%0.217CC..Hα-helixtrans-49.5-45.7178.9-179.773.4000112.6F479 A493 A499 V500 L501 V573 F577 L582F479-L497 HydrophobicContact CE1-CD1 4.31Å; F479-L497 HydrophobicContact CE2-CB 4.07Å; F479-L497 HydrophobicContact CE2-CD1 3.93Å; F479-L497 HydrophobicContact CZ-CD1 3.68Å; A493-L497 PolarHBondContact O-N 2.97Å; A493-L497 VanDerWaalsContact O-N 3.12Å; L497-A499 PolarHBondContact O-N 3.29Å; L497-V500 WeakPolarHBondContact O-CA 3.43Å; L497-V500 WeakPolarHBondContact O-CB 3.46Å; L497-V500 PolarHBondContact O-N 3.25Å; L497-L501 HydrophobicContact CD1-CG 4.48Å; L497-L501 HydrophobicContact CD2-CD1 4.22Å; L497-L501 HydrophobicContact CG-CD1 4.07Å; L497-L501 HydrophobicContact CG-CG 4.32Å; L497-L501 PolarHBondContact O-N 2.82Å; L497-V573 HydrophobicContact CD1-CG1 3.6Å; L497-F577 HydrophobicContact CD1-CB 4.1Å; L497-F577 HydrophobicContact CD1-CD2 4.09Å; L497-F577 HydrophobicContact CD1-CG 4.24Å; L497-F577 HydrophobicContact CD2-CB 3.61Å; L497-F577 HydrophobicContact CG-CB 4.5Å; L497-L582 HydrophobicContact CB-CD2 4.47Å; L497-L582 HydrophobicContact CD2-CD1 3.56Å; L497-L582 HydrophobicContact CD2-CD2 3.98Å; L497-L582 HydrophobicContact CD2-CG 4.18Å
498T94.1Very high95.9Very high83 Ų8339.7 Ų39.751%0.50922%0.22SC..Hα-helixtrans-58.6-36.6-179.1-52.60000111.9S496 Y502S496-T498 VanDerWaalsContact C-N 3.25Å; S496-T498 PolarHBondContact O-N 3Å; T498-Y502 HydrophobicContact CG2-CD2 3.74Å; T498-Y502 HydrophobicContact CG2-CE2 3.36Å; T498-Y502 WeakPolarHBondContact O-CD2 3.22Å; T498-Y502 PolarHBondContact O-N 3.27Å
499A96Very high96.1Very high57 Ų5743.1 Ų43.147%0.47124%0.239SC..Hα-helixtrans-69.3-35.8175.700000112.3S496 L497 Y502 S503S496-A499 WeakPolarHBondContact O-CB 3.34Å; S496-A499 PolarHBondContact O-N 3.43Å; L497-A499 PolarHBondContact O-N 3.29Å; A499-Y502 PolarHBondContact O-N 2.86Å; A499-S503 PolarHBondContact O-N 3.5Å; A499-S503 PolarHBondContact O-OG 3.47Å
500V96.6Very high96.1Very high16 Ų1643.8 Ų43.810%0.09724%0.242CC..Hα-helixtrans-64.3-48.4174.41790000110.5T476 F479 S496 L497 Y502 S503 L504T476-V500 HydrophobicContact CG2-CG1 4.05Å; F479-V500 HydrophobicContact CB-CG2 3.87Å; F479-V500 HydrophobicContact CD2-CG2 4.09Å; F479-V500 HydrophobicContact CG-CG2 4.1Å; S496-V500 PolarHBondContact O-N 2.93Å; L497-V500 WeakPolarHBondContact O-CA 3.43Å; L497-V500 WeakPolarHBondContact O-CB 3.46Å; L497-V500 PolarHBondContact O-N 3.25Å; V500-Y502 PolarHBondContact O-N 3.3Å; V500-S503 PolarHBondContact O-N 2.92Å; V500-L504 HydrophobicContact CG1-CD1 4.27Å; V500-L504 PolarHBondContact O-N 3.4Å
501L96.5Very high96.2Very high28 Ų2844.4 Ų44.415%0.14725%0.245CC..Hα-helixtrans-61.8-41.2176.8-71.4175000111.8L497 S503 L504 N505 V573 E574L497-L501 HydrophobicContact CD1-CG 4.48Å; L497-L501 HydrophobicContact CD2-CD1 4.22Å; L497-L501 HydrophobicContact CG-CD1 4.07Å; L497-L501 HydrophobicContact CG-CG 4.32Å; L497-L501 PolarHBondContact O-N 2.82Å; L501-S503 VanDerWaalsContact C-N 3.32Å; L501-S503 PolarHBondContact O-N 3.34Å; L501-L504 PolarHBondContact O-N 2.83Å; L501-N505 WeakPolarHBondContact O-CB 3.43Å; L501-N505 PolarHBondContact O-N 2.98Å; L501-N505 PolarHBondContact O-ND2 3.49Å; L501-V573 HydrophobicContact CD2-CB 4.29Å; L501-V573 HydrophobicContact CD2-CG1 3.75Å; L501-V573 HydrophobicContact CG-CG1 4.38Å; L501-E574 HydrophobicContact CD1-CG 4.12Å; L501-E574 HydrophobicContact CD2-CG 3.78Å
502Y97.4Very high96.3Very high167 Ų16748.9 Ų48.966%0.65527%0.27SS*.Hα-helixtrans-61.8-40.3174.4-81.1-54.4000112.5T498 A499 V500 N505 E506T498-Y502 HydrophobicContact CG2-CD2 3.74Å; T498-Y502 HydrophobicContact CG2-CE2 3.36Å; T498-Y502 WeakPolarHBondContact O-CD2 3.22Å; T498-Y502 PolarHBondContact O-N 3.27Å; A499-Y502 PolarHBondContact O-N 2.86Å; V500-Y502 PolarHBondContact O-N 3.3Å; Y502-N505 PolarHBondContact O-N 2.96Å; Y502-E506 WeakPolarHBondContact O-CB 3.44Å; Y502-E506 PolarHBondContact O-N 3.04Å
503S97.2Very high96.4Very high52 Ų5250.7 Ų50.736%0.36428%0.279SS..Hα-helixtrans-65.2-42.4178-54.50000111.4A499 V500 L501 E506 V507A499-S503 PolarHBondContact O-N 3.5Å; A499-S503 PolarHBondContact O-OG 3.47Å; V500-S503 PolarHBondContact O-N 2.92Å; L501-S503 VanDerWaalsContact C-N 3.32Å; L501-S503 PolarHBondContact O-N 3.34Å; S503-E506 PolarHBondContact O-N 3.08Å; S503-V507 WeakPolarHBondContact O-CG2 3.33Å; S503-V507 PolarHBondContact O-N 3.11Å
504L97.4Very high96.5Very high1 Ų153.9 Ų53.91%0.00529%0.291CS..Hα-helixtrans-66.1-40.6175.7-70.5171.1000112.3V472 F475 T476 V500 L501 V507 N508 I569 M570V472-L504 HydrophobicContact CG1-CD2 4.26Å; F475-L504 HydrophobicContact CB-CD2 3.89Å; F475-L504 HydrophobicContact CB-CG 4.3Å; F475-L504 HydrophobicContact CD2-CD2 4.08Å; F475-L504 HydrophobicContact CG-CD2 4.26Å; T476-L504 HydrophobicContact CG2-CD1 4.32Å; V500-L504 HydrophobicContact CG1-CD1 4.27Å; V500-L504 PolarHBondContact O-N 3.4Å; L501-L504 PolarHBondContact O-N 2.83Å; L504-V507 PolarHBondContact O-N 2.98Å; L504-N508 WeakPolarHBondContact O-CB 3.41Å; L504-N508 PolarHBondContact O-N 3.31Å; L504-I569 HydrophobicContact CD1-CG2 4.44Å; L504-M570 HydrophobicContact CB-CG 3.76Å; L504-M570 HydrophobicContact CB-SD 4.27Å; L504-M570 HydrophobicContact CD1-CG 4.16Å; L504-M570 HydrophobicContact CG-CG 4.5Å
505N97.7Very high96.7Very high54 Ų5453.9 Ų53.929%0.28929%0.291SS..Hα-helixtrans-62.3-42.9175.8-85-73.8000111.7L501 Y502 V507 N508 D509 M570L501-N505 WeakPolarHBondContact O-CB 3.43Å; L501-N505 PolarHBondContact O-N 2.98Å; L501-N505 PolarHBondContact O-ND2 3.49Å; Y502-N505 PolarHBondContact O-N 2.96Å; N505-V507 VanDerWaalsContact C-N 3.31Å; N505-V507 PolarHBondContact O-N 3.49Å; N505-N508 PolarHBondContact O-N 3.4Å; N505-N508 VanDerWaalsContact O-N 3.14Å; N505-D509 WeakPolarHBondContact O-CB 3.29Å; N505-D509 VanDerWaalsContact O-CG 3.27Å; N505-D509 PolarHBondContact O-N 2.98Å; N505-M570 HydrophobicContact CB-CE 4.35Å; N505-M570 VanDerWaalsContact CG-CE 3.43Å; N505-M570 WeakPolarHBondContact OD1-CE 3.42Å
506E97.5Very high96.9Very high77 Ų7756.4 Ų56.436%0.3630%0.301SS..Hα-helixtrans-59.6-43.3177.5-173.9-77.9137.900111.7Y502 S503 N508 D509 N510 Y514Y502-E506 WeakPolarHBondContact O-CB 3.44Å; Y502-E506 PolarHBondContact O-N 3.04Å; S503-E506 PolarHBondContact O-N 3.08Å; E506-N508 VanDerWaalsContact C-N 3.35Å; E506-N508 PolarHBondContact O-N 3.03Å; E506-D509 PolarHBondContact O-N 2.69Å; E506-N510 PolarHBondContact O-N 2.76Å; E506-N510 PolarHBondContact O-ND2 3.06Å; E506-N510 PolarHBondContact OE1-ND2 3.49Å; E506-Y514 PolarHBondContact OE2-OH 2.98Å; E506-Y514 VanDerWaalsContact OE2-OH 3.07Å
507V97Very high97.1Very high0 Ų061 Ų610%032%0.316CS..Hα-helixtrans-64.5-40.4175.6177.40000111.4F475 S503 L504 N505 N510 I511 Y514 W518 I566F475-V507 HydrophobicContact CE1-CG2 4.24Å; F475-V507 HydrophobicContact CE2-CG2 3.72Å; F475-V507 HydrophobicContact CZ-CG2 3.54Å; S503-V507 WeakPolarHBondContact O-CG2 3.33Å; S503-V507 PolarHBondContact O-N 3.11Å; L504-V507 PolarHBondContact O-N 2.98Å; N505-V507 VanDerWaalsContact C-N 3.31Å; N505-V507 PolarHBondContact O-N 3.49Å; V507-N510 CarbonylContact O-C 3.59Å; V507-N510 PolarHBondContact O-N 3.2Å; V507-I511 HydrophobicContact CG1-CD1 4.46Å; V507-I511 VanDerWaalsContact O-CA 3.28Å; V507-I511 WeakPolarHBondContact O-CA 3.48Å; V507-I511 PolarHBondContact O-N 3.23Å; V507-I511 VanDerWaalsContact O-N 3.09Å; V507-Y514 HydrophobicContact CB-CD2 4.34Å; V507-Y514 HydrophobicContact CB-CE2 4.37Å; V507-Y514 HydrophobicContact CG1-CD1 4.12Å; V507-Y514 HydrophobicContact CG1-CD2 3.97Å; V507-Y514 HydrophobicContact CG1-CE2 4.42Å; V507-Y514 HydrophobicContact CG1-CG 3.83Å; V507-Y514 HydrophobicContact CG2-CD1 4.5Å; V507-Y514 HydrophobicContact CG2-CE1 4.11Å; V507-Y514 HydrophobicContact CG2-CE2 4.17Å; V507-W518 HydrophobicContact CG1-CH2 3.51Å; V507-W518 HydrophobicContact CG1-CZ2 3.79Å; V507-I566 HydrophobicContact CB-CD1 3.82Å; V507-I566 HydrophobicContact CG1-CD1 3.49Å; V507-I566 VanDerWaalsContact CG1-CD1 3.49Å
508N97.4Very high97.2Very high26 Ų2661.4 Ų61.414%0.13932%0.317CS..Hα-helixtrans-67.4-37.1177.2173.680.5000112.5L504 N505 E506 N510 I511 I566 M570L504-N508 WeakPolarHBondContact O-CB 3.41Å; L504-N508 PolarHBondContact O-N 3.31Å; N505-N508 PolarHBondContact O-N 3.4Å; N505-N508 VanDerWaalsContact O-N 3.14Å; E506-N508 VanDerWaalsContact C-N 3.35Å; E506-N508 PolarHBondContact O-N 3.03Å; N508-N510 VanDerWaalsContact C-N 3.32Å; N508-I511 WeakPolarHBondContact O-CB 3.37Å; N508-I566 HydrophobicContact CB-CD1 3.83Å; N508-I566 HydrophobicContact CB-CG1 4.28Å; N508-I566 HydrophobicContact CB-CG2 4.49Å; N508-M570 HydrophobicContact CB-SD 3.93Å
509D97.9Very high97.4Very high121 Ų12158.6 Ų58.665%0.64730%0.297SS*.Hα-helixtrans-70.6-30.9178.2-71.3-13.1000111.7N505 E506N505-D509 WeakPolarHBondContact O-CB 3.29Å; N505-D509 VanDerWaalsContact O-CG 3.27Å; N505-D509 PolarHBondContact O-N 2.98Å; E506-D509 PolarHBondContact O-N 2.69Å
510N97.6Very high97.5Very high76 Ų7659 Ų5941%0.40630%0.297SS..THydrogen-bonded Turntrans-105.227.1178.3-64.2-58.7000113E506 V507 N508 D512 V513 Y514E506-N510 PolarHBondContact O-N 2.76Å; E506-N510 PolarHBondContact O-ND2 3.06Å; E506-N510 PolarHBondContact OE1-ND2 3.49Å; V507-N510 CarbonylContact O-C 3.59Å; V507-N510 PolarHBondContact O-N 3.2Å; N508-N510 VanDerWaalsContact C-N 3.32Å; N510-D512 PolarHBondContact O-N 3.39Å; N510-D512 VanDerWaalsContact O-N 3.08Å; N510-V513 PolarHBondContact O-N 3.03Å; N510-Y514 HydrophobicContact CB-CD2 4.04Å; N510-Y514 HydrophobicContact CB-CE2 3.97Å; N510-Y514 WeakPolarHBondContact O-CD2 3.23Å; N510-Y514 PolarHBondContact O-N 3.45Å
511I97.6Very high97.6Very high14 Ų1461 Ų617%0.07231%0.305CS..Hα-helixtrans-60.6-28.2-166.4-162.456.9000114.4V507 N508 V513 Y514 H515 W518 T562 I563 I566V507-I511 HydrophobicContact CG1-CD1 4.46Å; V507-I511 VanDerWaalsContact O-CA 3.28Å; V507-I511 WeakPolarHBondContact O-CA 3.48Å; V507-I511 PolarHBondContact O-N 3.23Å; V507-I511 VanDerWaalsContact O-N 3.09Å; N508-I511 WeakPolarHBondContact O-CB 3.37Å; I511-V513 VanDerWaalsContact C-N 3.31Å; I511-V513 PolarHBondContact O-N 2.87Å; I511-Y514 PolarHBondContact O-N 3.27Å; I511-H515 WeakPolarHBondContact O-CB 3.42Å; I511-H515 PolarHBondContact O-N 3.18Å; I511-W518 HydrophobicContact CD1-CH2 4.36Å; I511-W518 HydrophobicContact CD1-CZ3 4.07Å; I511-T562 HydrophobicContact CD1-CG2 3.71Å; I511-T562 HydrophobicContact CG1-CG2 4.03Å; I511-I563 HydrophobicContact CG1-CG1 4.09Å; I511-I563 HydrophobicContact CG2-CD1 4.35Å; I511-I563 HydrophobicContact CG2-CG1 4.22Å; I511-I566 HydrophobicContact CD1-CD1 4.29Å; I511-I566 HydrophobicContact CD1-CG2 4.37Å
512D96.8Very high97.7Very high101 Ų10159.7 Ų59.754%0.5430%0.298SS..Hα-helixtrans-60.4-42.7177.6-70-44.4000111.8N510 E516 K558N510-D512 PolarHBondContact O-N 3.39Å; N510-D512 VanDerWaalsContact O-N 3.08Å; D512-E516 PolarHBondContact O-N 2.68Å; D512-K558 IonicContact OD1-NZ 2.72Å; D512-K558 PolarHBondContact OD1-NZ 2.89Å
513V97.5Very high97.7Very high77 Ų7753.6 Ų53.647%0.46728%0.278SS..Hα-helixtrans-71.5-47.6-179.9178.20000110.3N510 I511 H515 E516 F517N510-V513 PolarHBondContact O-N 3.03Å; I511-V513 VanDerWaalsContact C-N 3.31Å; I511-V513 PolarHBondContact O-N 2.87Å; V513-H515 PolarHBondContact O-N 3.06Å; V513-E516 PolarHBondContact O-N 2.84Å; V513-F517 HydrophobicContact CG1-CD2 4.18Å; V513-F517 HydrophobicContact CG1-CE2 3.66Å; V513-F517 WeakPolarHBondContact O-CD2 3.46Å; V513-F517 PolarHBondContact O-N 3.31Å
514Y98Very high97.7Very high67 Ų6754.6 Ų54.626%0.26329%0.285SS..Hα-helixtrans-63.1-42.2179.5-78.4-81.8000112.1E506 V507 N510 I511 E516 F517 W518E506-Y514 PolarHBondContact OE2-OH 2.98Å; E506-Y514 VanDerWaalsContact OE2-OH 3.07Å; V507-Y514 HydrophobicContact CB-CD2 4.34Å; V507-Y514 HydrophobicContact CB-CE2 4.37Å; V507-Y514 HydrophobicContact CG1-CD1 4.12Å; V507-Y514 HydrophobicContact CG1-CD2 3.97Å; V507-Y514 HydrophobicContact CG1-CE2 4.42Å; V507-Y514 HydrophobicContact CG1-CG 3.83Å; V507-Y514 HydrophobicContact CG2-CD1 4.5Å; V507-Y514 HydrophobicContact CG2-CE1 4.11Å; V507-Y514 HydrophobicContact CG2-CE2 4.17Å; N510-Y514 HydrophobicContact CB-CD2 4.04Å; N510-Y514 HydrophobicContact CB-CE2 3.97Å; N510-Y514 WeakPolarHBondContact O-CD2 3.23Å; N510-Y514 PolarHBondContact O-N 3.45Å; I511-Y514 PolarHBondContact O-N 3.27Å; Y514-E516 PolarHBondContact O-N 3.14Å; Y514-F517 PolarHBondContact O-N 3.43Å; Y514-W518 AromaticContact CD1-CZ2 3.95Å; Y514-W518 HydrophobicContact CD1-CZ2 3.95Å; Y514-W518 HydrophobicContact CG-CZ2 4.25Å; Y514-W518 VanDerWaalsContact O-CD1 3.32Å; Y514-W518 PolarHBondContact O-N 3.31Å
515H98.1Very high97.6Very high2 Ų256.5 Ų56.51%0.00930%0.295CS..Hα-helixtrans-61.6-42178.1-179.974.4000112.1I511 V513 F517 W518 Y519 E554 K558 T562I511-H515 WeakPolarHBondContact O-CB 3.42Å; I511-H515 PolarHBondContact O-N 3.18Å; V513-H515 PolarHBondContact O-N 3.06Å; H515-F517 VanDerWaalsContact C-N 3.29Å; H515-F517 PolarHBondContact O-N 3.48Å; H515-W518 PolarHBondContact O-N 3.46Å; H515-Y519 WeakPolarHBondContact O-CB 3.45Å; H515-Y519 PolarHBondContact O-N 3.38Å; H515-E554 PolarHBondContact NE2-O 3.27Å; H515-E554 VanDerWaalsContact NE2-O 3.16Å; H515-K558 HydrophobicContact CB-CD 4.36Å; H515-K558 HydrophobicContact CB-CG 4.14Å; H515-K558 VanDerWaalsContact CE1-CA 3.42Å; H515-K558 WeakPolarHBondContact CE1-CA 3.37Å; H515-K558 PolarHBondContact CE1-N 3.43Å; H515-K558 VanDerWaalsContact CE1-N 3.28Å; H515-T562 HydrophobicContact CB-CG2 4.27Å; H515-T562 PolarHBondContact CE1-OG1 2.97Å; H515-T562 VanDerWaalsContact CE1-OG1 3.25Å; H515-T562 WeakPolarHBondContact ND1-CB 3.36Å; H515-T562 PolarHBondContact ND1-OG1 3.02Å
516E97.6Very high97.6Very high118 Ų11854 Ų5455%0.55128%0.281SS*.Hα-helixtrans-54.9-46.8177-174.9-178.7175.700111D512 V513 Y514 S520D512-E516 PolarHBondContact O-N 2.68Å; V513-E516 PolarHBondContact O-N 2.84Å; Y514-E516 PolarHBondContact O-N 3.14Å; E516-S520 VanDerWaalsContact O-CB 3.25Å; E516-S520 WeakPolarHBondContact O-CB 3.42Å; E516-S520 PolarHBondContact O-N 3.28Å
517F98.1Very high97.5Very high137 Ų13753.4 Ų53.460%0.60129%0.29SS*.Hα-helixtrans-66-46177.2-68.6-65.8000112.9V513 Y514 H515 S520 E521V513-F517 HydrophobicContact CG1-CD2 4.18Å; V513-F517 HydrophobicContact CG1-CE2 3.66Å; V513-F517 WeakPolarHBondContact O-CD2 3.46Å; V513-F517 PolarHBondContact O-N 3.31Å; Y514-F517 PolarHBondContact O-N 3.43Å; H515-F517 VanDerWaalsContact C-N 3.29Å; H515-F517 PolarHBondContact O-N 3.48Å; F517-S520 PolarHBondContact O-N 3.21Å; F517-E521 PolarHBondContact O-N 3.23Å
518W98.2Very high97.4Very high16 Ų1659 Ų596%0.06132%0.319CS..Hα-helixtrans-66.7-40.3-178.6-59.5-12.8000111.8V467 I468 N471 V472 V507 I511 Y514 H515 E521 A522 T562V467-W518 HydrophobicContact CG1-CB 4.33Å; V467-W518 WeakPolarHBondContact CG1-O 3.25Å; I468-W518 HydrophobicContact CG1-CE3 4.29Å; I468-W518 HydrophobicContact CG2-CE3 4.43Å; I468-W518 HydrophobicContact CG2-CZ3 4.44Å; N471-W518 HydrophobicContact CB-CD2 3.94Å; N471-W518 VanDerWaalsContact CB-CE2 3.48Å; N471-W518 HydrophobicContact CB-CG 4.14Å; N471-W518 HydrophobicContact CB-CZ2 3.88Å; V472-W518 HydrophobicContact CG2-CH2 3.57Å; V472-W518 HydrophobicContact CG2-CZ3 3.67Å; V507-W518 HydrophobicContact CG1-CH2 3.51Å; V507-W518 HydrophobicContact CG1-CZ2 3.79Å; I511-W518 HydrophobicContact CD1-CH2 4.36Å; I511-W518 HydrophobicContact CD1-CZ3 4.07Å; Y514-W518 AromaticContact CD1-CZ2 3.95Å; Y514-W518 HydrophobicContact CD1-CZ2 3.95Å; Y514-W518 HydrophobicContact CG-CZ2 4.25Å; Y514-W518 VanDerWaalsContact O-CD1 3.32Å; Y514-W518 PolarHBondContact O-N 3.31Å; H515-W518 PolarHBondContact O-N 3.46Å; W518-E521 PolarHBondContact O-N 3.07Å; W518-A522 PolarHBondContact O-N 3.4Å; W518-T562 HydrophobicContact CE3-CG2 3.74Å; W518-T562 HydrophobicContact CZ3-CG2 3.63Å
519Y98.1Very high97.2Very high24 Ų2459.3 Ų59.39%0.09432%0.32CS..Hα-helixtrans-66-43.9175.6-174-107.6000110.8F460 V464 H515 E521 A522 V523 E554 F557F460-Y519 AromaticContact CE1-CE2 3.96Å; F460-Y519 HydrophobicContact CE1-CE2 3.96Å; F460-Y519 AromaticContact CZ-CE2 3.94Å; F460-Y519 HydrophobicContact CZ-CE2 3.94Å; V464-Y519 HydrophobicContact CG2-CD2 4.49Å; V464-Y519 HydrophobicContact CG2-CE2 4.48Å; H515-Y519 WeakPolarHBondContact O-CB 3.45Å; H515-Y519 PolarHBondContact O-N 3.38Å; Y519-E521 VanDerWaalsContact C-N 3.31Å; Y519-E521 PolarHBondContact O-N 3.34Å; Y519-A522 PolarHBondContact O-N 3.43Å; Y519-V523 HydrophobicContact CD1-CG2 4.05Å; Y519-V523 HydrophobicContact CE1-CG2 3.7Å; Y519-V523 HydrophobicContact CE2-CG2 4.28Å; Y519-V523 HydrophobicContact CG-CG2 4.49Å; Y519-V523 VanDerWaalsContact O-CG2 3.31Å; Y519-V523 WeakPolarHBondContact O-CG2 3.4Å; Y519-V523 PolarHBondContact O-N 3.15Å; Y519-E554 HydrophobicContact CD1-CB 3.97Å; Y519-E554 HydrophobicContact CD1-CG 3.64Å; Y519-E554 HydrophobicContact CE1-CB 3.63Å; Y519-E554 HydrophobicContact CE1-CG 3.86Å; Y519-E554 HydrophobicContact CG-CG 4.08Å; Y519-F557 HydrophobicContact CD2-CB 4.32Å; Y519-F557 HydrophobicContact CD2-CD2 4.32Å; Y519-F557 HydrophobicContact CE2-CB 4.37Å; Y519-F557 AromaticContact CE2-CD2 3.58Å; Y519-F557 HydrophobicContact CE2-CD2 3.58Å; Y519-F557 HydrophobicContact CE2-CE2 4.3Å; Y519-F557 HydrophobicContact CE2-CG 4.25Å
520S97.9Very high97.1Very high66 Ų6662.2 Ų62.246%0.46233%0.33SS..Hα-helixtrans-60.1-39.1174.4-177.40000112.6E516 F517 S524E516-S520 VanDerWaalsContact O-CB 3.25Å; E516-S520 WeakPolarHBondContact O-CB 3.42Å; E516-S520 PolarHBondContact O-N 3.28Å; F517-S520 PolarHBondContact O-N 3.21Å; S520-S524 WeakPolarHBondContact O-CB 3.28Å; S520-S524 PolarHBondContact O-N 2.86Å; S520-S524 PolarHBondContact O-OG 2.82Å
521E97.7Very high97Very high58 Ų5859.3 Ų59.327%0.27131%0.314SS..Hα-helixtrans-59.9-48.8173.2180-179.4-173.200110.7V467 K470 N471 F517 W518 Y519 S524 L525V467-E521 HydrophobicContact CG1-CB 4.09Å; V467-E521 HydrophobicContact CG1-CG 4.04Å; K470-E521 IonicContact NZ-OE1 3.84Å; K470-E521 PolarHBondContact NZ-OE1 2.71Å; K470-E521 IonicContact NZ-OE2 2.86Å; N471-E521 PolarHBondContact ND2-OE2 2.84Å; F517-E521 PolarHBondContact O-N 3.23Å; W518-E521 PolarHBondContact O-N 3.07Å; Y519-E521 VanDerWaalsContact C-N 3.31Å; Y519-E521 PolarHBondContact O-N 3.34Å; E521-S524 PolarHBondContact O-N 3.15Å; E521-L525 HydrophobicContact CG-CD1 4.22Å; E521-L525 WeakPolarHBondContact O-CG 3.4Å; E521-L525 PolarHBondContact O-N 2.61Å
522A97.9Very high96.7Very high0 Ų063.2 Ų63.20%034%0.34CS..Hα-helixtrans-63.3-42.417900000113I463 V464 V467 W518 Y519 S524 L525 A526I463-A522 HydrophobicContact CG2-CB 4.38Å; V464-A522 HydrophobicContact CB-CB 4.22Å; V464-A522 HydrophobicContact CG2-CB 3.59Å; V467-A522 HydrophobicContact CB-CB 4.21Å; V467-A522 HydrophobicContact CG1-CB 4.41Å; V467-A522 HydrophobicContact CG2-CB 4Å; W518-A522 PolarHBondContact O-N 3.4Å; Y519-A522 PolarHBondContact O-N 3.43Å; A522-S524 VanDerWaalsContact C-N 3.34Å; A522-S524 PolarHBondContact O-N 2.76Å; A522-L525 PolarHBondContact O-N 3.14Å; A522-A526 WeakPolarHBondContact O-CB 3.29Å; A522-A526 PolarHBondContact O-N 3.3Å
523V97.9Very high96.5Very high39 Ų3962.9 Ų62.924%0.23634%0.338CS..Hα-helixtrans-61.3-43.1174.8172.10000111.2F460 Y519 A526 A527 L533F460-V523 HydrophobicContact CE2-CG2 4.38Å; F460-V523 HydrophobicContact CZ-CG2 3.88Å; Y519-V523 HydrophobicContact CD1-CG2 4.05Å; Y519-V523 HydrophobicContact CE1-CG2 3.7Å; Y519-V523 HydrophobicContact CE2-CG2 4.28Å; Y519-V523 HydrophobicContact CG-CG2 4.49Å; Y519-V523 VanDerWaalsContact O-CG2 3.31Å; Y519-V523 WeakPolarHBondContact O-CG2 3.4Å; Y519-V523 PolarHBondContact O-N 3.15Å; V523-A526 PolarHBondContact O-N 3.14Å; V523-A527 WeakPolarHBondContact O-CB 3.29Å; V523-A527 PolarHBondContact O-N 2.91Å; V523-L533 HydrophobicContact CB-CD2 4.49Å; V523-L533 HydrophobicContact CG1-CD2 4.09Å; V523-L533 HydrophobicContact CG2-CD2 3.69Å
524S97.3Very high96.1Very high73 Ų7361.6 Ų61.651%0.5133%0.333SS..Hα-helixtrans-63.9-42.4178.1-59.50000111.9S520 E521 A522 A527 L528S520-S524 WeakPolarHBondContact O-CB 3.28Å; S520-S524 PolarHBondContact O-N 2.86Å; S520-S524 PolarHBondContact O-OG 2.82Å; E521-S524 PolarHBondContact O-N 3.15Å; A522-S524 VanDerWaalsContact C-N 3.34Å; A522-S524 PolarHBondContact O-N 2.76Å; S524-A527 PolarHBondContact O-N 2.93Å; S524-L528 PolarHBondContact O-N 3.25Å; S524-L528 VanDerWaalsContact O-N 3.07Å
525L95.9Very high95.6Very high41 Ų4159.4 Ų59.422%0.21533%0.326CS..Hα-helixtrans-65.4-45.3176.1-74.1171.9000112L421 I463 V467 E521 A522 A527 L528 M529L421-L525 HydrophobicContact CD2-CD1 4.04Å; I463-L525 HydrophobicContact CG2-CB 4.5Å; V467-L525 HydrophobicContact CG2-CD1 3.88Å; E521-L525 HydrophobicContact CG-CD1 4.22Å; E521-L525 WeakPolarHBondContact O-CG 3.4Å; E521-L525 PolarHBondContact O-N 2.61Å; A522-L525 PolarHBondContact O-N 3.14Å; L525-A527 VanDerWaalsContact C-N 3.33Å; L525-A527 PolarHBondContact O-N 3.5Å; L525-L528 WeakPolarHBondContact O-CB 3.37Å; L525-L528 PolarHBondContact O-N 2.89Å; L525-M529 HydrophobicContact CB-CE 4.33Å; L525-M529 VanDerWaalsContact O-CE 3.24Å; L525-M529 WeakPolarHBondContact O-CE 3.03Å; L525-M529 PolarHBondContact O-N 3.28Å
526A96.5Very high95.1Very high0 Ų060.7 Ų60.70%034%0.335CS..Hα-helixtrans-61.1-42.6176.900000111.6F460 I463 A522 V523 L528 M529 Q530 I531F460-A526 HydrophobicContact CD2-CB 3.61Å; F460-A526 HydrophobicContact CE2-CB 3.7Å; I463-A526 HydrophobicContact CD1-CB 4.49Å; A522-A526 WeakPolarHBondContact O-CB 3.29Å; A522-A526 PolarHBondContact O-N 3.3Å; V523-A526 PolarHBondContact O-N 3.14Å; A526-L528 PolarHBondContact O-N 3.06Å; A526-M529 CarbonylContact O-C 3.11Å; A526-M529 PolarHBondContact O-N 3.3Å; A526-Q530 PolarHBondContact O-N 3.31Å; A526-I531 HydrophobicContact CB-CB 4.22Å; A526-I531 HydrophobicContact CB-CG2 4.5Å; A526-I531 PolarHBondContact O-N 3.19Å
527A96.6Very high94.4Very high66 Ų6665 Ų6555%0.54535%0.346SS..Hα-helixtrans-61.9-41176.400000112.5V523 S524 L525 M529 Q530V523-A527 WeakPolarHBondContact O-CB 3.29Å; V523-A527 PolarHBondContact O-N 2.91Å; S524-A527 PolarHBondContact O-N 2.93Å; L525-A527 VanDerWaalsContact C-N 3.33Å; L525-A527 PolarHBondContact O-N 3.5Å; A527-M529 PolarHBondContact O-N 3.35Å; A527-Q530 PolarHBondContact O-N 3.29Å; A527-Q530 VanDerWaalsContact O-N 3.15Å
528L94.1Very high93.6Very high117 Ų11764.6 Ų64.661%0.61335%0.349SS*.Hα-helixtrans-58.9-36.3175.8-178.568.3000112.1S524 L525 A526S524-L528 PolarHBondContact O-N 3.25Å; S524-L528 VanDerWaalsContact O-N 3.07Å; L525-L528 WeakPolarHBondContact O-CB 3.37Å; L525-L528 PolarHBondContact O-N 2.89Å; A526-L528 PolarHBondContact O-N 3.06Å
529M94.3Very high93Very high33 Ų3365.4 Ų65.416%0.16335%0.353CS..THydrogen-bonded Turntrans-94.34.3-179.2-59.6179.7-69.800113.3L424 P425 L428 I463 L525 A526 A527 I531L424-M529 HydrophobicContact CB-SD 4.44Å; L424-M529 HydrophobicContact CD2-CE 3.67Å; L424-M529 HydrophobicContact CD2-SD 3.98Å; L424-M529 HydrophobicContact CG-CE 4.23Å; L424-M529 HydrophobicContact CG-SD 3.84Å; P425-M529 HydrophobicContact CG-CG 4.32Å; P425-M529 HydrophobicContact CG-SD 4.1Å; L428-M529 HydrophobicContact CD1-CB 4.26Å; L428-M529 HydrophobicContact CD1-CG 4.31Å; L428-M529 HydrophobicContact CD1-SD 3.64Å; I463-M529 HydrophobicContact CD1-CE 3.64Å; I463-M529 HydrophobicContact CG1-CE 4.41Å; L525-M529 HydrophobicContact CB-CE 4.33Å; L525-M529 VanDerWaalsContact O-CE 3.24Å; L525-M529 WeakPolarHBondContact O-CE 3.03Å; L525-M529 PolarHBondContact O-N 3.28Å; A526-M529 CarbonylContact O-C 3.11Å; A526-M529 PolarHBondContact O-N 3.3Å; A527-M529 PolarHBondContact O-N 3.35Å; M529-I531 HydrophobicContact CB-CD1 3.84Å; M529-I531 HydrophobicContact CB-CG1 4.09Å; M529-I531 HydrophobicContact CE-CD1 4.01Å; M529-I531 PolarHBondContact O-N 2.82Å; M529-I531 HydrophobicContact SD-CD1 4.43Å
530Q94.9Very high92.2Very high181 Ų18166.5 Ų66.585%0.84636%0.36SS*.THydrogen-bonded Turntrans58.631.9-177.3-53.7177.133.400114.1A526 A527A526-Q530 PolarHBondContact O-N 3.31Å; A527-Q530 PolarHBondContact O-N 3.29Å; A527-Q530 VanDerWaalsContact O-N 3.15Å
531I95.3Very high91.3Very high15 Ų1572 Ų728%0.07737%0.371CS..PPolyproline II helixtrans-88.6128.6178.3-67.7168.8000109.4L428 A458 F460 I463 A526 M529L428-I531 HydrophobicContact CD1-CD1 4.1Å; A458-I531 HydrophobicContact CB-CD1 3.92Å; A458-I531 HydrophobicContact CB-CG1 4.35Å; A458-I531 WeakPolarHBondContact O-CG2 3.46Å; F460-I531 HydrophobicContact CB-CG2 4.39Å; I463-I531 HydrophobicContact CD1-CB 4.46Å; I463-I531 HydrophobicContact CD1-CD1 3.41Å; I463-I531 VanDerWaalsContact CD1-CD1 3.41Å; I463-I531 HydrophobicContact CD1-CG2 4.2Å; A526-I531 HydrophobicContact CB-CB 4.22Å; A526-I531 HydrophobicContact CB-CG2 4.5Å; A526-I531 PolarHBondContact O-N 3.19Å; M529-I531 HydrophobicContact CB-CD1 3.84Å; M529-I531 HydrophobicContact CB-CG1 4.09Å; M529-I531 HydrophobicContact CE-CD1 4.01Å; M529-I531 PolarHBondContact O-N 2.82Å; M529-I531 HydrophobicContact SD-CD1 4.43Å
532P92.8Very high90.4Very high96 Ų9677.1 Ų77.162%0.62339%0.393SS*.PPolyproline II helixtrans-72137-178.729.1-34.3000111.5S534P532-S534 PolarHBondContact O-N 3.23Å
533L91.7Very high89.3Confident95 Ų9578.9 Ų78.950%0.49740%0.401SS..PPolyproline II helixtrans-64.9122.5169.8-63.986.8000108.7F460 V523F460-L533 HydrophobicContact CD1-CB 4.38Å; F460-L533 HydrophobicContact CE1-CB 4.25Å; F460-L533 HydrophobicContact CE1-CD2 4.39Å; F460-L533 HydrophobicContact CE1-CG 4.29Å; F460-L533 HydrophobicContact CE2-CG 4.22Å; F460-L533 HydrophobicContact CZ-CB 4.5Å; F460-L533 HydrophobicContact CZ-CD2 4.08Å; F460-L533 HydrophobicContact CZ-CG 4.04Å; V523-L533 HydrophobicContact CB-CD2 4.49Å; V523-L533 HydrophobicContact CG1-CD2 4.09Å; V523-L533 HydrophobicContact CG2-CD2 3.69Å
534S88.4Confident87.9Confident50 Ų5086.1 Ų86.135%0.3542%0.424SS..  trans-144.7146-179.865.60000112P532 F557P532-S534 PolarHBondContact O-N 3.23Å; S534-F557 WeakPolarHBondContact O-CZ 3.31Å
535V87.6Confident86.6Confident21 Ų2187 Ų8713%0.12744%0.436CS..  trans-98.4141.8171.3176.80000108R537 F539 L540 A553 Y556V535-R537 PolarHBondContact O-N 2.65Å; V535-F539 HydrophobicContact CG1-CD1 3.76Å; V535-F539 HydrophobicContact CG1-CE1 4.48Å; V535-L540 HydrophobicContact CB-CD2 4.31Å; V535-L540 HydrophobicContact CB-CG 4.44Å; V535-L540 HydrophobicContact CG1-CD2 4.05Å; V535-L540 HydrophobicContact CG1-CG 4.2Å; V535-A553 HydrophobicContact CG2-CB 3.58Å; V535-Y556 HydrophobicContact CG1-CD1 3.88Å; V535-Y556 HydrophobicContact CG1-CD2 4.1Å; V535-Y556 HydrophobicContact CG1-CE1 4.25Å; V535-Y556 HydrophobicContact CG1-CE2 4.43Å; V535-Y556 HydrophobicContact CG1-CG 3.8Å; V535-Y556 HydrophobicContact CG2-CD1 4.45Å
536P87.3Confident85.4Confident29 Ų2988 Ų8819%0.18845%0.449CS..  trans-56.2132.9-177.3-29.538000113.6E461 L538 F539 L540 Y556E461-P536 HydrophobicContact CB-CG 4.3Å; E461-P536 HydrophobicContact CG-CG 4.31Å; E461-P536 WeakPolarHBondContact OE1-CG 3.14Å; E461-P536 WeakPolarHBondContact OE2-CG 3.24Å; P536-L538 PolarHBondContact O-N 3.08Å; P536-F539 WeakPolarHBondContact O-CB 3.37Å; P536-F539 PolarHBondContact O-N 2.86Å; P536-F539 VanDerWaalsContact O-N 3.11Å; P536-L540 PolarHBondContact O-N 2.96Å; P536-Y556 HydrophobicContact CG-CE1 3.96Å; P536-Y556 WeakPolarHBondContact CG-OH 3.33Å
537R84.8Confident83.9Confident208 Ų20895.5 Ų95.579%0.78549%0.49SS*.Hα-helixtrans-57.6-36.1-176.7-64179.1-179168.21.3113V535 L540 R541V535-R537 PolarHBondContact O-N 2.65Å; R537-L540 PolarHBondContact O-N 3.44Å; R537-R541 WeakPolarHBondContact O-CG 3.34Å; R537-R541 PolarHBondContact O-N 2.86Å
538L81Confident82.3Confident128 Ų12897.5 Ų97.567%0.6749%0.491SS*.Hα-helixtrans-65.3-39.6-180-71.9175.7000112P536 R541 K542P536-L538 PolarHBondContact O-N 3.08Å; L538-R541 PolarHBondContact O-N 3.14Å; L538-K542 PolarHBondContact O-N 3.05Å; L538-K542 VanDerWaalsContact O-N 3.14Å
539F84.1Confident81Confident33 Ų3395 Ų9515%0.14549%0.493CS..Hα-helixtrans-64.2-50175.6178.7-101.2000110.9V535 P536 R541 K542 Q543 I551 Y556 Y560V535-F539 HydrophobicContact CG1-CD1 3.76Å; V535-F539 HydrophobicContact CG1-CE1 4.48Å; P536-F539 WeakPolarHBondContact O-CB 3.37Å; P536-F539 PolarHBondContact O-N 2.86Å; P536-F539 VanDerWaalsContact O-N 3.11Å; F539-R541 VanDerWaalsContact C-N 3.25Å; F539-R541 PolarHBondContact O-N 2.68Å; F539-K542 PolarHBondContact O-N 3.26Å; F539-K542 VanDerWaalsContact O-N 3.08Å; F539-Q543 PolarHBondContact O-N 2.96Å; F539-I551 HydrophobicContact CE1-CD1 4.48Å; F539-I551 HydrophobicContact CE1-CG2 4Å; F539-Y556 HydrophobicContact CB-CE2 3.85Å; F539-Y556 AromaticContact CD1-CD2 3.42Å; F539-Y556 HydrophobicContact CD1-CD2 3.42Å; F539-Y556 VanDerWaalsContact CD1-CD2 3.42Å; F539-Y556 AromaticContact CD1-CE2 3.64Å; F539-Y556 HydrophobicContact CD1-CE2 3.64Å; F539-Y556 HydrophobicContact CD1-CG 4.32Å; F539-Y556 AromaticContact CD2-CD2 3.89Å; F539-Y556 HydrophobicContact CD2-CD2 3.89Å; F539-Y556 AromaticContact CD2-CE2 3.55Å; F539-Y556 HydrophobicContact CD2-CE2 3.55Å; F539-Y556 AromaticContact CE1-CD2 3.38Å; F539-Y556 HydrophobicContact CE1-CD2 3.38Å; F539-Y556 HydrophobicContact CE1-CE2 4.02Å; F539-Y556 HydrophobicContact CE1-CG 4.25Å; F539-Y556 AromaticContact CE2-CD2 3.88Å; F539-Y556 HydrophobicContact CE2-CD2 3.88Å; F539-Y556 AromaticContact CE2-CE2 3.95Å; F539-Y556 HydrophobicContact CE2-CE2 3.95Å; F539-Y556 AromaticContact CG-CD2 3.67Å; F539-Y556 HydrophobicContact CG-CD2 3.67Å; F539-Y556 AromaticContact CG-CE2 3.37Å; F539-Y556 HydrophobicContact CG-CE2 3.37Å; F539-Y556 AromaticContact CZ-CD2 3.63Å; F539-Y556 HydrophobicContact CZ-CD2 3.63Å; F539-Y556 HydrophobicContact CZ-CE2 4.17Å; F539-Y560 HydrophobicContact CE2-CD1 4.47Å; F539-Y560 HydrophobicContact CE2-CD2 4.03Å; F539-Y560 HydrophobicContact CE2-CE1 4.01Å; F539-Y560 AromaticContact CE2-CE2 3.54Å; F539-Y560 HydrophobicContact CE2-CE2 3.54Å; F539-Y560 HydrophobicContact CE2-CG 4.47Å; F539-Y560 AromaticContact CE2-CZ 3.52Å; F539-Y560 HydrophobicContact CZ-CD2 4.19Å; F539-Y560 AromaticContact CZ-CE2 3.62Å; F539-Y560 HydrophobicContact CZ-CE2 3.62Å
540L82.5Confident79.9Confident47 Ų47102.2 Ų102.225%0.24653%0.526CS..Hα-helixtrans-56.3-39.1177.2-63.5176.7000112.4V535 P536 R537 R544 I551V535-L540 HydrophobicContact CB-CD2 4.31Å; V535-L540 HydrophobicContact CB-CG 4.44Å; V535-L540 HydrophobicContact CG1-CD2 4.05Å; V535-L540 HydrophobicContact CG1-CG 4.2Å; P536-L540 PolarHBondContact O-N 2.96Å; R537-L540 PolarHBondContact O-N 3.44Å; L540-R544 WeakPolarHBondContact O-CB 3.17Å; L540-R544 VanDerWaalsContact O-CG 3.26Å; L540-R544 WeakPolarHBondContact O-CG 3.41Å; L540-R544 PolarHBondContact O-N 3.42Å; L540-I551 HydrophobicContact CD2-CD1 3.49Å; L540-I551 VanDerWaalsContact CD2-CD1 3.49Å
541R79.6Confident79Confident183 Ų18395.9 Ų95.969%0.69150%0.498SS*.Hα-helixtrans-65-44.9176.1-78.1179.9178.7177.50.2112.5R537 L538 F539 Q543 A545R537-R541 WeakPolarHBondContact O-CG 3.34Å; R537-R541 PolarHBondContact O-N 2.86Å; L538-R541 PolarHBondContact O-N 3.14Å; F539-R541 VanDerWaalsContact C-N 3.25Å; F539-R541 PolarHBondContact O-N 2.68Å; R541-Q543 VanDerWaalsContact C-N 3.34Å; R541-A545 PolarHBondContact O-N 2.93Å
542K77.8Confident78.4Confident165 Ų165100.8 Ų100.872%0.71752%0.52SS*.Hα-helixtrans-64.7-39.1178-73.2-178.4178.7-178.60111.7L538 F539 A545L538-K542 PolarHBondContact O-N 3.05Å; L538-K542 VanDerWaalsContact O-N 3.14Å; F539-K542 PolarHBondContact O-N 3.26Å; F539-K542 VanDerWaalsContact O-N 3.08Å; K542-A545 WeakPolarHBondContact O-CB 3.37Å; K542-A545 PolarHBondContact O-N 3.47Å
543Q75.4Confident78.2Confident37 Ų3797.5 Ų97.517%0.17350%0.501CS..Hα-helixtrans-76.1-35.2-177.3-165.8164.114.200113.3F539 R541 A545 A546 D547 L548 I551F539-Q543 PolarHBondContact O-N 2.96Å; R541-Q543 VanDerWaalsContact C-N 3.34Å; Q543-A545 PolarHBondContact O-N 2.88Å; Q543-A546 WeakPolarHBondContact O-CA 3.29Å; Q543-A546 PolarHBondContact O-N 3.11Å; Q543-D547 PolarHBondContact O-N 3.5Å; Q543-L548 HydrophobicContact CG-CB 3.79Å; Q543-L548 HydrophobicContact CG-CD1 4.04Å; Q543-I551 HydrophobicContact CB-CD1 4Å; Q543-I551 VanDerWaalsContact CD-CD1 3.42Å; Q543-I551 HydrophobicContact CG-CD1 3.91Å; Q543-I551 HydrophobicContact CG-CG1 4.34Å
544R68.8Low78.2Confident191 Ų19197 Ų9772%0.72150%0.496SS*.Hα-helixtrans-61.8-29.4170.4-75.7176.7-173.1-1772.3113L540 A546L540-R544 WeakPolarHBondContact O-CB 3.17Å; L540-R544 VanDerWaalsContact O-CG 3.26Å; L540-R544 WeakPolarHBondContact O-CG 3.41Å; L540-R544 PolarHBondContact O-N 3.42Å; R544-A546 PolarHBondContact O-N 2.66Å
545A69.6Low78.4Confident92 Ų9298 Ų9876%0.7650%0.5SS*.THydrogen-bonded Turntrans-73.6-14.2173.200000113.1R541 K542 Q543R541-A545 PolarHBondContact O-N 2.93Å; K542-A545 WeakPolarHBondContact O-CB 3.37Å; K542-A545 PolarHBondContact O-N 3.47Å; Q543-A545 PolarHBondContact O-N 2.88Å
546A70.9Confident78.6Confident60 Ų6098 Ų9850%0.49650%0.498SS..THydrogen-bonded Turntrans-105.45.8-177.500000114Q543 R544 L548Q543-A546 WeakPolarHBondContact O-CA 3.29Å; Q543-A546 PolarHBondContact O-N 3.11Å; R544-A546 PolarHBondContact O-N 2.66Å; A546-L548 HydrophobicContact CB-CD1 4.1Å; A546-L548 HydrophobicContact CB-CG 4.48Å; A546-L548 PolarHBondContact O-N 3.16Å; A546-L548 VanDerWaalsContact O-N 3.14Å
547D64.1Low79Confident159 Ų15996.7 Ų96.785%0.8549%0.489SS*.THydrogen-bonded Turntrans50.832.3-179.7-84.6-17.7000115.3Q543Q543-D547 PolarHBondContact O-N 3.5Å
548L63.4Low79.6Confident108 Ų10888.8 Ų88.857%0.56546%0.461SS*.  trans-83.9138.6172-69.9158.4000109.4Q543 A546Q543-L548 HydrophobicContact CG-CB 3.79Å; Q543-L548 HydrophobicContact CG-CD1 4.04Å; A546-L548 HydrophobicContact CB-CD1 4.1Å; A546-L548 HydrophobicContact CB-CG 4.48Å; A546-L548 PolarHBondContact O-N 3.16Å; A546-L548 VanDerWaalsContact O-N 3.14Å
549G67.7Low80.2Confident64 Ų6486.8 Ų86.866%0.6645%0.448SS*.  trans-61.8-158.6-172.800000116.6I551G549-I551 PolarHBondContact O-N 2.8Å
550E70.1Confident80.6Confident184 Ų18491.3 Ų91.386%0.8647%0.465SS*.PPolyproline II helixtrans-61.8126.4-174.8-163.9170.5-158.800112.2
551I75.4Confident81.3Confident49 Ų4989.1 Ų89.125%0.25145%0.454SS..PPolyproline II helixtrans-91.6116.1-172.3-56.6163.4000109F539 L540 Q543 G549F539-I551 HydrophobicContact CE1-CD1 4.48Å; F539-I551 HydrophobicContact CE1-CG2 4Å; L540-I551 HydrophobicContact CD2-CD1 3.49Å; L540-I551 VanDerWaalsContact CD2-CD1 3.49Å; Q543-I551 HydrophobicContact CB-CD1 4Å; Q543-I551 VanDerWaalsContact CD-CD1 3.42Å; Q543-I551 HydrophobicContact CG-CD1 3.91Å; Q543-I551 HydrophobicContact CG-CG1 4.34Å; G549-I551 PolarHBondContact O-N 2.8Å
552Q83.9Confident82.1Confident118 Ų11880.4 Ų80.455%0.55142%0.421SS*.PPolyproline II helixtrans-80.4124.4171.6-63.6-62.8-34.400109.8E554 T555 Y556Q552-E554 VanDerWaalsContact C-N 3.32Å; Q552-E554 PolarHBondContact O-N 3.18Å; Q552-T555 PolarHBondContact O-N 3Å; Q552-Y556 PolarHBondContact O-N 3.36Å; Q552-Y556 VanDerWaalsContact O-N 3.13Å
553A87.6Confident83.1Confident26 Ų2673.3 Ų73.322%0.21539%0.391CS..Hα-helixtrans-59.7-42.3-177.400000112.2V535 T555 Y556 F557V535-A553 HydrophobicContact CG2-CB 3.58Å; A553-T555 VanDerWaalsContact C-N 3.32Å; A553-T555 PolarHBondContact O-N 3.32Å; A553-Y556 WeakPolarHBondContact O-CB 3.33Å; A553-Y556 PolarHBondContact O-N 2.93Å; A553-Y556 VanDerWaalsContact O-N 3.14Å; A553-F557 HydrophobicContact CB-CE2 4.49Å; A553-F557 WeakPolarHBondContact O-CD2 3.38Å; A553-F557 PolarHBondContact O-N 2.85Å
554E92.3Very high84.2Confident84 Ų8473 Ų7339%0.39339%0.392SS..Hα-helixtrans-58.3-43.5177.7-177.1175178.400112.3H515 Y519 Q552 Y556 F557 K558H515-E554 PolarHBondContact NE2-O 3.27Å; H515-E554 VanDerWaalsContact NE2-O 3.16Å; Y519-E554 HydrophobicContact CD1-CB 3.97Å; Y519-E554 HydrophobicContact CD1-CG 3.64Å; Y519-E554 HydrophobicContact CE1-CB 3.63Å; Y519-E554 HydrophobicContact CE1-CG 3.86Å; Y519-E554 HydrophobicContact CG-CG 4.08Å; Q552-E554 VanDerWaalsContact C-N 3.32Å; Q552-E554 PolarHBondContact O-N 3.18Å; E554-Y556 VanDerWaalsContact C-N 3.35Å; E554-Y556 PolarHBondContact O-N 3.17Å; E554-F557 PolarHBondContact O-N 3.47Å; E554-K558 WeakPolarHBondContact O-CB 3.15Å; E554-K558 PolarHBondContact O-N 2.73Å
555T91.8Very high85.6Confident72 Ų7264 Ų6444%0.44236%0.358SS..Hα-helixtrans-64.5-39.9176.6-49.60000111.4Q552 A553 K558 E559Q552-T555 PolarHBondContact O-N 3Å; A553-T555 VanDerWaalsContact C-N 3.32Å; A553-T555 PolarHBondContact O-N 3.32Å; T555-K558 PolarHBondContact O-N 3.46Å; T555-E559 HydrophobicContact CG2-CG 4.17Å; T555-E559 WeakPolarHBondContact O-CB 3.41Å; T555-E559 WeakPolarHBondContact O-CG 3.36Å; T555-E559 PolarHBondContact O-N 3.48Å
556Y92.6Very high86.9Confident22 Ų2259.6 Ų59.69%0.08632%0.322CS..Hα-helixtrans-57.5-52.8174.1167.7-96.6000111.2E461 V535 P536 F539 Q552 A553 E554 K558 E559 Y560E461-Y556 PolarHBondContact OE1-OH 2.82Å; V535-Y556 HydrophobicContact CG1-CD1 3.88Å; V535-Y556 HydrophobicContact CG1-CD2 4.1Å; V535-Y556 HydrophobicContact CG1-CE1 4.25Å; V535-Y556 HydrophobicContact CG1-CE2 4.43Å; V535-Y556 HydrophobicContact CG1-CG 3.8Å; V535-Y556 HydrophobicContact CG2-CD1 4.45Å; P536-Y556 HydrophobicContact CG-CE1 3.96Å; P536-Y556 WeakPolarHBondContact CG-OH 3.33Å; F539-Y556 HydrophobicContact CB-CE2 3.85Å; F539-Y556 AromaticContact CD1-CD2 3.42Å; F539-Y556 HydrophobicContact CD1-CD2 3.42Å; F539-Y556 VanDerWaalsContact CD1-CD2 3.42Å; F539-Y556 AromaticContact CD1-CE2 3.64Å; F539-Y556 HydrophobicContact CD1-CE2 3.64Å; F539-Y556 HydrophobicContact CD1-CG 4.32Å; F539-Y556 AromaticContact CD2-CD2 3.89Å; F539-Y556 HydrophobicContact CD2-CD2 3.89Å; F539-Y556 AromaticContact CD2-CE2 3.55Å; F539-Y556 HydrophobicContact CD2-CE2 3.55Å; F539-Y556 AromaticContact CE1-CD2 3.38Å; F539-Y556 HydrophobicContact CE1-CD2 3.38Å; F539-Y556 HydrophobicContact CE1-CE2 4.02Å; F539-Y556 HydrophobicContact CE1-CG 4.25Å; F539-Y556 AromaticContact CE2-CD2 3.88Å; F539-Y556 HydrophobicContact CE2-CD2 3.88Å; F539-Y556 AromaticContact CE2-CE2 3.95Å; F539-Y556 HydrophobicContact CE2-CE2 3.95Å; F539-Y556 AromaticContact CG-CD2 3.67Å; F539-Y556 HydrophobicContact CG-CD2 3.67Å; F539-Y556 AromaticContact CG-CE2 3.37Å; F539-Y556 HydrophobicContact CG-CE2 3.37Å; F539-Y556 AromaticContact CZ-CD2 3.63Å; F539-Y556 HydrophobicContact CZ-CD2 3.63Å; F539-Y556 HydrophobicContact CZ-CE2 4.17Å; Q552-Y556 PolarHBondContact O-N 3.36Å; Q552-Y556 VanDerWaalsContact O-N 3.13Å; A553-Y556 WeakPolarHBondContact O-CB 3.33Å; A553-Y556 PolarHBondContact O-N 2.93Å; A553-Y556 VanDerWaalsContact O-N 3.14Å; E554-Y556 VanDerWaalsContact C-N 3.35Å; E554-Y556 PolarHBondContact O-N 3.17Å; Y556-K558 VanDerWaalsContact C-N 3.28Å; Y556-K558 PolarHBondContact O-N 3.22Å; Y556-E559 PolarHBondContact O-N 3.08Å; Y556-Y560 AromaticContact CD2-CD2 3.57Å; Y556-Y560 HydrophobicContact CD2-CD2 3.57Å; Y556-Y560 HydrophobicContact CD2-CE2 4.28Å; Y556-Y560 HydrophobicContact CD2-CG 4.07Å; Y556-Y560 AromaticContact CE2-CD2 3.94Å; Y556-Y560 HydrophobicContact CE2-CD2 3.94Å; Y556-Y560 AromaticContact CE2-CG 3.95Å; Y556-Y560 HydrophobicContact CE2-CG 3.95Å; Y556-Y560 HydrophobicContact CG-CD2 4.4Å; Y556-Y560 WeakPolarHBondContact O-CB 3.41Å; Y556-Y560 WeakPolarHBondContact O-CD2 3.16Å; Y556-Y560 PolarHBondContact O-N 3.37Å
557F95.9Very high88.2Confident0 Ų063.7 Ų63.70%032%0.324CS..Hα-helixtrans-64.3-34.4-178.2-71.8-67000112.1F460 E461 V464 Y519 S534 A553 E554 V561 T562F460-F557 AromaticContact CD1-CE2 3.67Å; F460-F557 HydrophobicContact CD1-CE2 3.67Å; F460-F557 AromaticContact CD1-CZ 3.68Å; F460-F557 HydrophobicContact CD1-CZ 3.68Å; F460-F557 HydrophobicContact CE1-CD2 4.15Å; F460-F557 AromaticContact CE1-CE2 3.48Å; F460-F557 HydrophobicContact CE1-CE2 3.48Å; F460-F557 VanDerWaalsContact CE1-CE2 3.48Å; F460-F557 AromaticContact CE1-CZ 3.94Å; F460-F557 HydrophobicContact CE1-CZ 3.94Å; E461-F557 HydrophobicContact CB-CE1 3.87Å; E461-F557 HydrophobicContact CB-CZ 4.3Å; E461-F557 HydrophobicContact CG-CE1 4.03Å; V464-F557 HydrophobicContact CB-CD1 4.08Å; V464-F557 HydrophobicContact CB-CE1 4.25Å; V464-F557 HydrophobicContact CG1-CB 4.02Å; V464-F557 HydrophobicContact CG1-CD1 3.67Å; V464-F557 HydrophobicContact CG1-CE1 4.34Å; V464-F557 HydrophobicContact CG1-CG 3.86Å; V464-F557 HydrophobicContact CG2-CD1 4.42Å; V464-F557 HydrophobicContact CG2-CE1 4.43Å; Y519-F557 HydrophobicContact CD2-CB 4.32Å; Y519-F557 HydrophobicContact CD2-CD2 4.32Å; Y519-F557 HydrophobicContact CE2-CB 4.37Å; Y519-F557 AromaticContact CE2-CD2 3.58Å; Y519-F557 HydrophobicContact CE2-CD2 3.58Å; Y519-F557 HydrophobicContact CE2-CE2 4.3Å; Y519-F557 HydrophobicContact CE2-CG 4.25Å; S534-F557 WeakPolarHBondContact O-CZ 3.31Å; A553-F557 HydrophobicContact CB-CE2 4.49Å; A553-F557 WeakPolarHBondContact O-CD2 3.38Å; A553-F557 PolarHBondContact O-N 2.85Å; E554-F557 PolarHBondContact O-N 3.47Å; F557-V561 HydrophobicContact CD1-CG2 3.91Å; F557-V561 CarbonylContact O-C 3.51Å; F557-V561 WeakPolarHBondContact O-CA 3.33Å; F557-V561 VanDerWaalsContact O-CB 3.28Å; F557-V561 WeakPolarHBondContact O-CB 3.45Å; F557-V561 PolarHBondContact O-N 2.93Å; F557-T562 PolarHBondContact O-N 3.25Å; F557-T562 PolarHBondContact O-OG1 3.47Å
558K96.6Very high89.8Confident42 Ų4256.8 Ų56.818%0.18329%0.291CS..Iπ-helixtrans-61.4-55.8174.3-166177.570.2168.90112D512 H515 E554 T555 Y556 T562 I563D512-K558 IonicContact OD1-NZ 2.72Å; D512-K558 PolarHBondContact OD1-NZ 2.89Å; H515-K558 HydrophobicContact CB-CD 4.36Å; H515-K558 HydrophobicContact CB-CG 4.14Å; H515-K558 VanDerWaalsContact CE1-CA 3.42Å; H515-K558 WeakPolarHBondContact CE1-CA 3.37Å; H515-K558 PolarHBondContact CE1-N 3.43Å; H515-K558 VanDerWaalsContact CE1-N 3.28Å; E554-K558 WeakPolarHBondContact O-CB 3.15Å; E554-K558 PolarHBondContact O-N 2.73Å; T555-K558 PolarHBondContact O-N 3.46Å; Y556-K558 VanDerWaalsContact C-N 3.28Å; Y556-K558 PolarHBondContact O-N 3.22Å; K558-T562 PolarHBondContact O-N 3.38Å; K558-I563 HydrophobicContact CG-CD1 4.27Å; K558-I563 WeakPolarHBondContact O-CG1 3.49Å; K558-I563 PolarHBondContact O-N 2.86Å
559E94Very high91.4Very high87 Ų8751.7 Ų51.741%0.40726%0.264SS..Iπ-helixtrans-75.8-33.4-170.5-63-60.2150.500113.1T555 Y556 P564T555-E559 HydrophobicContact CG2-CG 4.17Å; T555-E559 WeakPolarHBondContact O-CB 3.41Å; T555-E559 WeakPolarHBondContact O-CG 3.36Å; T555-E559 PolarHBondContact O-N 3.48Å; Y556-E559 PolarHBondContact O-N 3.08Å; E559-P564 VanDerWaalsContact O-CD 3.27Å; E559-P564 WeakPolarHBondContact O-CD 3.42Å; E559-P564 WeakPolarHBondContact O-CG 3.27Å
560Y93.3Very high92.9Very high128 Ų12849.3 Ų49.350%0.50224%0.236SC..Iπ-helixtrans-108.9-11.2-172.1-64.7-84.6000114.4F539 Y556F539-Y560 HydrophobicContact CE2-CD1 4.47Å; F539-Y560 HydrophobicContact CE2-CD2 4.03Å; F539-Y560 HydrophobicContact CE2-CE1 4.01Å; F539-Y560 AromaticContact CE2-CE2 3.54Å; F539-Y560 HydrophobicContact CE2-CE2 3.54Å; F539-Y560 HydrophobicContact CE2-CG 4.47Å; F539-Y560 AromaticContact CE2-CZ 3.52Å; F539-Y560 HydrophobicContact CZ-CD2 4.19Å; F539-Y560 AromaticContact CZ-CE2 3.62Å; F539-Y560 HydrophobicContact CZ-CE2 3.62Å; Y556-Y560 AromaticContact CD2-CD2 3.57Å; Y556-Y560 HydrophobicContact CD2-CD2 3.57Å; Y556-Y560 HydrophobicContact CD2-CE2 4.28Å; Y556-Y560 HydrophobicContact CD2-CG 4.07Å; Y556-Y560 AromaticContact CE2-CD2 3.94Å; Y556-Y560 HydrophobicContact CE2-CD2 3.94Å; Y556-Y560 AromaticContact CE2-CG 3.95Å; Y556-Y560 HydrophobicContact CE2-CG 3.95Å; Y556-Y560 HydrophobicContact CG-CD2 4.4Å; Y556-Y560 WeakPolarHBondContact O-CB 3.41Å; Y556-Y560 WeakPolarHBondContact O-CD2 3.16Å; Y556-Y560 PolarHBondContact O-N 3.37Å
561V95.8Very high94.1Very high1 Ų145 Ų451%0.00622%0.215CC..Iπ-helixtrans-121.5-61.9175.9-176.40000111.1N360 T465 I468 F557 P564 V565N360-V561 VanDerWaalsContact ND2-CG1 3.26Å; N360-V561 WeakPolarHBondContact ND2-CG1 3.48Å; T465-V561 HydrophobicContact CG2-CG1 4.44Å; I468-V561 HydrophobicContact CD1-CB 4.12Å; I468-V561 HydrophobicContact CD1-CG1 3.52Å; F557-V561 HydrophobicContact CD1-CG2 3.91Å; F557-V561 CarbonylContact O-C 3.51Å; F557-V561 WeakPolarHBondContact O-CA 3.33Å; F557-V561 VanDerWaalsContact O-CB 3.28Å; F557-V561 WeakPolarHBondContact O-CB 3.45Å; F557-V561 PolarHBondContact O-N 2.93Å; V561-P564 WeakPolarHBondContact O-CD 3.32Å; V561-V565 HydrophobicContact CG1-CG2 4.34Å; V561-V565 VanDerWaalsContact O-CB 3.26Å; V561-V565 WeakPolarHBondContact O-CB 3.35Å; V561-V565 WeakPolarHBondContact O-CG2 3.24Å; V561-V565 PolarHBondContact O-N 3.03Å
562T98.2Very high95.1Very high0 Ų043.5 Ų43.50%021%0.208CC..Iπ-helixtrans-62-55.8-171.8-53.70000112.7I468 I511 H515 W518 F557 K558 V565 I566I468-T562 WeakPolarHBondContact CD1-OG1 3.34Å; I468-T562 HydrophobicContact CG2-CG2 4.45Å; I511-T562 HydrophobicContact CD1-CG2 3.71Å; I511-T562 HydrophobicContact CG1-CG2 4.03Å; H515-T562 HydrophobicContact CB-CG2 4.27Å; H515-T562 PolarHBondContact CE1-OG1 2.97Å; H515-T562 VanDerWaalsContact CE1-OG1 3.25Å; H515-T562 WeakPolarHBondContact ND1-CB 3.36Å; H515-T562 PolarHBondContact ND1-OG1 3.02Å; W518-T562 HydrophobicContact CE3-CG2 3.74Å; W518-T562 HydrophobicContact CZ3-CG2 3.63Å; F557-T562 PolarHBondContact O-N 3.25Å; F557-T562 PolarHBondContact O-OG1 3.47Å; K558-T562 PolarHBondContact O-N 3.38Å; T562-V565 PolarHBondContact O-N 2.99Å; T562-I566 WeakPolarHBondContact O-CG2 3.23Å; T562-I566 PolarHBondContact O-N 3.48Å
563I97.9Very high95.7Very high16 Ų1637.9 Ų37.98%0.08218%0.181CC..Hα-helixtrans-62.8-46.8-178.7-70172.1000111.6I511 K558 V565 I566 R567I511-I563 HydrophobicContact CG1-CG1 4.09Å; I511-I563 HydrophobicContact CG2-CD1 4.35Å; I511-I563 HydrophobicContact CG2-CG1 4.22Å; K558-I563 HydrophobicContact CG-CD1 4.27Å; K558-I563 WeakPolarHBondContact O-CG1 3.49Å; K558-I563 PolarHBondContact O-N 2.86Å; I563-V565 PolarHBondContact O-N 3.13Å; I563-I566 WeakPolarHBondContact O-CG2 3.33Å; I563-R567 WeakPolarHBondContact O-CB 3.45Å; I563-R567 WeakPolarHBondContact O-CG 3.28Å; I563-R567 PolarHBondContact O-N 3.18Å; I563-R567 VanDerWaalsContact O-N 3.17Å
564P97.8Very high96Very high31 Ų3140.5 Ų40.520%0.20119%0.189CC..Hα-helixtrans-61.5-41.7175.8-28.137.5000113.4F358 E559 V561 G568F358-P564 HydrophobicContact CD1-CB 4.41Å; F358-P564 HydrophobicContact CD2-CB 4.46Å; F358-P564 HydrophobicContact CE1-CB 3.88Å; F358-P564 HydrophobicContact CE2-CB 3.94Å; F358-P564 VanDerWaalsContact CE2-O 3.22Å; F358-P564 WeakPolarHBondContact CE2-O 3.43Å; F358-P564 HydrophobicContact CZ-CB 3.62Å; F358-P564 WeakPolarHBondContact CZ-O 3.41Å; E559-P564 VanDerWaalsContact O-CD 3.27Å; E559-P564 WeakPolarHBondContact O-CD 3.42Å; E559-P564 WeakPolarHBondContact O-CG 3.27Å; V561-P564 WeakPolarHBondContact O-CD 3.32Å; P564-G568 PolarHBondContact O-N 2.91Å
565V98.3Very high96.1Very high0 Ų039.9 Ų39.90%019%0.188CC..Hα-helixtrans-64.2-50.6-179.7168.70000111.1L356 F358 V361 I468 L469 V561 T562 I563 R567 G568 I569L356-V565 HydrophobicContact CD1-CG1 4.12Å; L356-V565 HydrophobicContact CD1-CG2 4.38Å; F358-V565 HydrophobicContact CD2-CG2 4.29Å; V361-V565 HydrophobicContact CG2-CG2 3.8Å; I468-V565 HydrophobicContact CG2-CB 4.09Å; I468-V565 HydrophobicContact CG2-CG1 3.93Å; L469-V565 HydrophobicContact CD2-CG1 3.83Å; V561-V565 HydrophobicContact CG1-CG2 4.34Å; V561-V565 VanDerWaalsContact O-CB 3.26Å; V561-V565 WeakPolarHBondContact O-CB 3.35Å; V561-V565 WeakPolarHBondContact O-CG2 3.24Å; V561-V565 PolarHBondContact O-N 3.03Å; T562-V565 PolarHBondContact O-N 2.99Å; I563-V565 PolarHBondContact O-N 3.13Å; V565-R567 PolarHBondContact O-N 3.2Å; V565-G568 PolarHBondContact O-N 3.08Å; V565-I569 HydrophobicContact CG1-CG1 4.38Å; V565-I569 VanDerWaalsContact O-CG1 3.29Å; V565-I569 WeakPolarHBondContact O-CG1 3.35Å; V565-I569 PolarHBondContact O-N 3.03Å
566I97.7Very high96.1Very high1 Ų136.7 Ų36.71%0.00517%0.168CC..Hα-helixtrans-62.2-45.6-178.7-171.3165.5000112V472 V507 N508 I511 T562 I563 G568 I569 M570V472-I566 HydrophobicContact CG1-CB 4.49Å; V472-I566 HydrophobicContact CG1-CG1 4.35Å; V472-I566 HydrophobicContact CG2-CB 4.28Å; V507-I566 HydrophobicContact CB-CD1 3.82Å; V507-I566 HydrophobicContact CG1-CD1 3.49Å; V507-I566 VanDerWaalsContact CG1-CD1 3.49Å; N508-I566 HydrophobicContact CB-CD1 3.83Å; N508-I566 HydrophobicContact CB-CG1 4.28Å; N508-I566 HydrophobicContact CB-CG2 4.49Å; I511-I566 HydrophobicContact CD1-CD1 4.29Å; I511-I566 HydrophobicContact CD1-CG2 4.37Å; T562-I566 WeakPolarHBondContact O-CG2 3.23Å; T562-I566 PolarHBondContact O-N 3.48Å; I563-I566 WeakPolarHBondContact O-CG2 3.33Å; I566-G568 VanDerWaalsContact C-N 3.35Å; I566-G568 PolarHBondContact O-N 3.31Å; I566-I569 PolarHBondContact O-N 3.34Å; I566-M570 HydrophobicContact CG1-SD 4.08Å; I566-M570 VanDerWaalsContact O-CG 3.28Å; I566-M570 WeakPolarHBondContact O-CG 3.5Å; I566-M570 PolarHBondContact O-N 2.86Å
567R97.8Very high96.1Very high146 Ų14636 Ų3655%0.55117%0.166SC*.Hα-helixtrans-65.4-39.5178.3-68.8179.9-177.7171.13.9112I563 V565 M570 Q571I563-R567 WeakPolarHBondContact O-CB 3.45Å; I563-R567 WeakPolarHBondContact O-CG 3.28Å; I563-R567 PolarHBondContact O-N 3.18Å; I563-R567 VanDerWaalsContact O-N 3.17Å; V565-R567 PolarHBondContact O-N 3.2Å; R567-M570 PolarHBondContact O-N 3.14Å; R567-Q571 PolarHBondContact O-N 3.39Å
568G97.4Very high95.9Very high14 Ų1437.8 Ų37.814%0.14418%0.178CC..Hα-helixtrans-60.7-47.9174.500000111.6P564 V565 I566 M570 Q571 E572P564-G568 PolarHBondContact O-N 2.91Å; V565-G568 PolarHBondContact O-N 3.08Å; I566-G568 VanDerWaalsContact C-N 3.35Å; I566-G568 PolarHBondContact O-N 3.31Å; G568-M570 VanDerWaalsContact C-N 3.35Å; G568-M570 PolarHBondContact O-N 2.85Å; G568-Q571 PolarHBondContact O-N 2.78Å; G568-E572 WeakPolarHBondContact O-CG 3.43Å; G568-E572 PolarHBondContact O-N 3.47Å
569I98.1Very high95.7Very high0 Ų040.8 Ų40.80%020%0.196CC..Hα-helixtrans-61.1-43.3177.1-67.8-60000111.6L352 L356 V472 L473 L504 V565 I566 E572 V573L352-I569 HydrophobicContact CB-CD1 3.67Å; L352-I569 HydrophobicContact CD1-CG2 4.39Å; L356-I569 HydrophobicContact CD1-CD1 3.78Å; L356-I569 HydrophobicContact CD1-CG1 4.07Å; L356-I569 HydrophobicContact CD2-CD1 4.14Å; L356-I569 HydrophobicContact CD2-CG1 4.49Å; L356-I569 HydrophobicContact CG-CD1 4.1Å; V472-I569 HydrophobicContact CG1-CB 4.1Å; V472-I569 HydrophobicContact CG1-CG1 4.02Å; V472-I569 HydrophobicContact CG1-CG2 4.11Å; L473-I569 HydrophobicContact CD2-CD1 3.69Å; L473-I569 HydrophobicContact CD2-CG1 4.21Å; L473-I569 HydrophobicContact CD2-CG2 4.16Å; L473-I569 HydrophobicContact CG-CD1 4.42Å; L504-I569 HydrophobicContact CD1-CG2 4.44Å; V565-I569 HydrophobicContact CG1-CG1 4.38Å; V565-I569 VanDerWaalsContact O-CG1 3.29Å; V565-I569 WeakPolarHBondContact O-CG1 3.35Å; V565-I569 PolarHBondContact O-N 3.03Å; I566-I569 PolarHBondContact O-N 3.34Å; I569-E572 PolarHBondContact O-N 3.49Å; I569-V573 HydrophobicContact CG2-CG2 4.41Å; I569-V573 VanDerWaalsContact O-CG2 3.28Å; I569-V573 WeakPolarHBondContact O-CG2 3.35Å; I569-V573 PolarHBondContact O-N 3.17Å
570M97.7Very high95.5Very high15 Ų1540.7 Ų40.77%0.07420%0.198CC..Hα-helixtrans-58.2-49175.8-71167.26300111.2L504 N505 N508 I566 R567 G568 E572 V573 E574L504-M570 HydrophobicContact CB-CG 3.76Å; L504-M570 HydrophobicContact CB-SD 4.27Å; L504-M570 HydrophobicContact CD1-CG 4.16Å; L504-M570 HydrophobicContact CG-CG 4.5Å; N505-M570 HydrophobicContact CB-CE 4.35Å; N505-M570 VanDerWaalsContact CG-CE 3.43Å; N505-M570 WeakPolarHBondContact OD1-CE 3.42Å; N508-M570 HydrophobicContact CB-SD 3.93Å; I566-M570 HydrophobicContact CG1-SD 4.08Å; I566-M570 VanDerWaalsContact O-CG 3.28Å; I566-M570 WeakPolarHBondContact O-CG 3.5Å; I566-M570 PolarHBondContact O-N 2.86Å; R567-M570 PolarHBondContact O-N 3.14Å; G568-M570 VanDerWaalsContact C-N 3.35Å; G568-M570 PolarHBondContact O-N 2.85Å; M570-E572 PolarHBondContact O-N 3.48Å; M570-V573 PolarHBondContact O-N 3.19Å; M570-E574 WeakPolarHBondContact O-CG 3.13Å; M570-E574 PolarHBondContact O-N 3.37Å
571Q96.5Very high95.5Very high92 Ų9234.7 Ų34.743%0.4318%0.175SC..Hα-helixtrans-60.6-45177.9-171.265.653.400111.9R567 G568 V573 E574 D575R567-Q571 PolarHBondContact O-N 3.39Å; G568-Q571 PolarHBondContact O-N 2.78Å; Q571-V573 VanDerWaalsContact C-N 3.31Å; Q571-V573 PolarHBondContact O-N 3.07Å; Q571-E574 PolarHBondContact O-N 2.88Å; Q571-D575 PolarHBondContact NE2-OD1 3.06Å; Q571-D575 WeakPolarHBondContact O-CB 3.4Å; Q571-D575 PolarHBondContact O-N 3.23Å
572E95.6Very high95.3Very high19 Ų1935.6 Ų35.69%0.08918%0.18CC..Hα-helixtrans-63.2-37.1178.4-68.5-52.7143.200112.3K325 L352 N355 L356 G568 I569 M570 M576K325-E572 IonicContact NZ-OE1 2.75Å; K325-E572 PolarHBondContact NZ-OE1 3.42Å; K325-E572 IonicContact NZ-OE2 2.72Å; K325-E572 PolarHBondContact NZ-OE2 2.93Å; L352-E572 HydrophobicContact CD2-CB 3.61Å; N355-E572 HydrophobicContact CB-CG 4.06Å; L356-E572 HydrophobicContact CD2-CG 4.27Å; G568-E572 WeakPolarHBondContact O-CG 3.43Å; G568-E572 PolarHBondContact O-N 3.47Å; I569-E572 PolarHBondContact O-N 3.49Å; M570-E572 PolarHBondContact O-N 3.48Å; E572-M576 WeakPolarHBondContact O-CB 3.26Å; E572-M576 PolarHBondContact O-N 3.19Å
573V96.2Very high95.1Very high0 Ų040.3 Ų40.30%020%0.198CC..Hα-helixtrans-67-42.7175.1172.10000110.7L352 T476 L497 L501 I569 M570 Q571 F577L352-V573 HydrophobicContact CD1-CG2 3.83Å; L352-V573 HydrophobicContact CD2-CG2 3.83Å; T476-V573 HydrophobicContact CG2-CG2 4.09Å; L497-V573 HydrophobicContact CD1-CG1 3.6Å; L501-V573 HydrophobicContact CD2-CB 4.29Å; L501-V573 HydrophobicContact CD2-CG1 3.75Å; L501-V573 HydrophobicContact CG-CG1 4.38Å; I569-V573 HydrophobicContact CG2-CG2 4.41Å; I569-V573 VanDerWaalsContact O-CG2 3.28Å; I569-V573 WeakPolarHBondContact O-CG2 3.35Å; I569-V573 PolarHBondContact O-N 3.17Å; M570-V573 PolarHBondContact O-N 3.19Å; Q571-V573 VanDerWaalsContact C-N 3.31Å; Q571-V573 PolarHBondContact O-N 3.07Å; V573-F577 HydrophobicContact CG1-CD2 4.18Å; V573-F577 VanDerWaalsContact O-CD2 3.31Å; V573-F577 WeakPolarHBondContact O-CD2 3.4Å; V573-F577 PolarHBondContact O-N 3.4Å
574E95.3Very high94.8Very high81 Ų8139.6 Ų39.638%0.37919%0.194SC..Hα-helixtrans-66-45.3177.9-71.8176.7174.100112.4L501 M570 Q571 F577 C578L501-E574 HydrophobicContact CD1-CG 4.12Å; L501-E574 HydrophobicContact CD2-CG 3.78Å; M570-E574 WeakPolarHBondContact O-CG 3.13Å; M570-E574 PolarHBondContact O-N 3.37Å; Q571-E574 PolarHBondContact O-N 2.88Å; E574-F577 CarbonylContact O-C 3.34Å; E574-C578 PolarHBondContact O-N 3.48Å; E574-C578 VanDerWaalsContact O-N 3.14Å
575D92.9Very high94.7Very high70 Ų7038.3 Ų38.337%0.37419%0.186SC..Hα-helixtrans-60.2-50.3177.8-72.4-9.3000110.7K325 Q571K325-D575 IonicContact NZ-OD2 2.81Å; K325-D575 PolarHBondContact NZ-OD2 2.7Å; Q571-D575 PolarHBondContact NE2-OD1 3.06Å; Q571-D575 WeakPolarHBondContact O-CB 3.4Å; Q571-D575 PolarHBondContact O-N 3.23Å
576M91.8Very high94.5Very high5 Ų540.7 Ų40.73%0.02520%0.196CC..Hα-helixtrans-74.1-28.1-173.5-176.1162.846.300113.3P342 L348 H351 L352 E572 N581P342-M576 HydrophobicContact CB-SD 3.58Å; P342-M576 VanDerWaalsContact CB-SD 3.58Å; P342-M576 VanDerWaalsContact CD-SD 3.52Å; P342-M576 HydrophobicContact CG-CG 4.34Å; P342-M576 HydrophobicContact CG-SD 3.68Å; L348-M576 HydrophobicContact CD1-CE 3.35Å; L348-M576 HydrophobicContact CD1-SD 4.41Å; H351-M576 PolarHBondContact CD2-SD 3.22Å; H351-M576 PolarHBondContact NE2-SD 3.07Å; H351-M576 VanDerWaalsContact NE2-SD 3.38Å; L352-M576 HydrophobicContact CD2-CE 3.54Å; L352-M576 HydrophobicContact CG-CE 4.34Å; E572-M576 WeakPolarHBondContact O-CB 3.26Å; E572-M576 PolarHBondContact O-N 3.19Å; M576-N581 PolarHBondContact O-ND2 3.33Å
577F93.4Very high94.3Very high7 Ų740.6 Ų40.63%0.03120%0.196CC..THydrogen-bonded Turntrans-113.845175.4-56.2-76.3000111.4P342 L348 F479 L483 L497 V573 E574 L582 L585P342-F577 HydrophobicContact CG-CE1 4.48Å; P342-F577 HydrophobicContact CG-CZ 4.13Å; L348-F577 HydrophobicContact CD1-CE2 4.13Å; L348-F577 HydrophobicContact CD1-CZ 4.15Å; L348-F577 HydrophobicContact CD2-CE2 4.49Å; F479-F577 HydrophobicContact CE1-CD2 4.02Å; F479-F577 HydrophobicContact CE1-CE1 4.22Å; F479-F577 AromaticContact CE1-CE2 3.49Å; F479-F577 HydrophobicContact CE1-CE2 3.49Å; F479-F577 VanDerWaalsContact CE1-CE2 3.49Å; F479-F577 AromaticContact CE1-CZ 3.62Å; F479-F577 HydrophobicContact CE1-CZ 3.62Å; F479-F577 HydrophobicContact CZ-CD1 4.18Å; F479-F577 HydrophobicContact CZ-CD2 4.02Å; F479-F577 HydrophobicContact CZ-CE1 4.03Å; F479-F577 AromaticContact CZ-CE2 3.88Å; F479-F577 HydrophobicContact CZ-CE2 3.88Å; F479-F577 HydrophobicContact CZ-CG 4.19Å; F479-F577 AromaticContact CZ-CZ 3.9Å; F479-F577 HydrophobicContact CZ-CZ 3.9Å; L483-F577 HydrophobicContact CD1-CE1 3.59Å; L483-F577 HydrophobicContact CD1-CE2 4.32Å; L483-F577 HydrophobicContact CD1-CZ 3.28Å; L483-F577 HydrophobicContact CD2-CE1 4.22Å; L497-F577 HydrophobicContact CD1-CB 4.1Å; L497-F577 HydrophobicContact CD1-CD2 4.09Å; L497-F577 HydrophobicContact CD1-CG 4.24Å; L497-F577 HydrophobicContact CD2-CB 3.61Å; L497-F577 HydrophobicContact CG-CB 4.5Å; V573-F577 HydrophobicContact CG1-CD2 4.18Å; V573-F577 VanDerWaalsContact O-CD2 3.31Å; V573-F577 WeakPolarHBondContact O-CD2 3.4Å; V573-F577 PolarHBondContact O-N 3.4Å; E574-F577 CarbonylContact O-C 3.34Å; F577-L582 HydrophobicContact CB-CD2 4.24Å; F577-L582 HydrophobicContact CB-CG 4.3Å; F577-L582 VanDerWaalsContact O-CD1 3.25Å; F577-L582 WeakPolarHBondContact O-CD1 3.26Å; F577-L582 WeakPolarHBondContact O-CG 3.28Å; F577-L585 HydrophobicContact CD1-CD1 4.5Å
578C91.9Very high94.1Very high39 Ų3933.8 Ų33.826%0.26417%0.17SC..  trans-57.5164.6171.570.30000112E574 N580 N581 L582E574-C578 PolarHBondContact O-N 3.48Å; E574-C578 VanDerWaalsContact O-N 3.14Å; C578-N580 PolarHBondContact O-N 3.4Å; C578-N580 VanDerWaalsContact O-N 3.1Å; C578-N581 PolarHBondContact O-N 3.48Å; C578-L582 PolarHBondContact O-N 2.85Å
579D91.6Very high94Very high105 Ų10533.1 Ų33.156%0.56116%0.163SC*.Hα-helixtrans-50.8-40.1-176.8-92.59.3000113.9L582 R583D579-L582 PolarHBondContact O-N 3.12Å; D579-R583 WeakPolarHBondContact O-CB 3.38Å; D579-R583 WeakPolarHBondContact O-CG 3.34Å; D579-R583 PolarHBondContact O-N 3.06Å; D579-R583 IonicContact OD2-NH2 3.21Å; D579-R583 PolarHBondContact OD2-NH2 3.33Å
580N90.4Very high93.8Very high84 Ų8433.1 Ų33.145%0.44916%0.163SC..Hα-helixtrans-66.3-45.6179.8-69.3-17.8000111.5L339 C578 L582 R583 A584L339-N580 HydrophobicContact CD2-CB 4.33Å; C578-N580 PolarHBondContact O-N 3.4Å; C578-N580 VanDerWaalsContact O-N 3.1Å; N580-L582 PolarHBondContact O-N 3.14Å; N580-R583 PolarHBondContact O-N 3.11Å; N580-A584 PolarHBondContact O-N 3.21Å
581N93Very high93.6Very high2 Ų232.4 Ų32.41%0.01116%0.16CC..Hα-helixtrans-63-43.7177.5-71.44.4000111H340 M341 M576 C578 A584 L585H340-N581 PolarHBondContact O-ND2 3.29Å; M341-N581 HydrophobicContact CE-CB 3.94Å; M576-N581 PolarHBondContact O-ND2 3.33Å; C578-N581 PolarHBondContact O-N 3.48Å; N581-A584 WeakPolarHBondContact O-CB 3.46Å; N581-A584 PolarHBondContact O-N 3.37Å; N581-L585 WeakPolarHBondContact O-CG 3.41Å; N581-L585 PolarHBondContact O-N 3.08Å
582L92.8Very high93.6Very high21 Ų2128 Ų2811%0.1114%0.139CC..Hα-helixtrans-63.7-42.4176.6-74.7174.2000112.7A494 L497 F577 C578 D579 N580 A584 L585 K586A494-L582 HydrophobicContact CB-CD2 4.12Å; L497-L582 HydrophobicContact CB-CD2 4.47Å; L497-L582 HydrophobicContact CD2-CD1 3.56Å; L497-L582 HydrophobicContact CD2-CD2 3.98Å; L497-L582 HydrophobicContact CD2-CG 4.18Å; F577-L582 HydrophobicContact CB-CD2 4.24Å; F577-L582 HydrophobicContact CB-CG 4.3Å; F577-L582 VanDerWaalsContact O-CD1 3.25Å; F577-L582 WeakPolarHBondContact O-CD1 3.26Å; F577-L582 WeakPolarHBondContact O-CG 3.28Å; C578-L582 PolarHBondContact O-N 2.85Å; D579-L582 PolarHBondContact O-N 3.12Å; N580-L582 PolarHBondContact O-N 3.14Å; L582-A584 VanDerWaalsContact C-N 3.29Å; L582-A584 PolarHBondContact O-N 3.37Å; L582-L585 PolarHBondContact O-N 3.14Å; L582-K586 WeakPolarHBondContact O-CB 3.44Å; L582-K586 VanDerWaalsContact O-CG 3.27Å; L582-K586 WeakPolarHBondContact O-CG 3.31Å; L582-K586 PolarHBondContact O-N 3.11Å
583R92.5Very high93.6Very high98 Ų9827.9 Ų27.937%0.3714%0.141SC..Hα-helixtrans-59.3-42.6175.5-75.9173.9-164.2167.79.5110.9D579 N580 K586 C587 F607D579-R583 WeakPolarHBondContact O-CB 3.38Å; D579-R583 WeakPolarHBondContact O-CG 3.34Å; D579-R583 PolarHBondContact O-N 3.06Å; D579-R583 IonicContact OD2-NH2 3.21Å; D579-R583 PolarHBondContact OD2-NH2 3.33Å; N580-R583 PolarHBondContact O-N 3.11Å; R583-K586 PolarHBondContact O-N 3.42Å; R583-C587 PolarHBondContact O-N 3.46Å; R583-C587 PolarHBondContact O-SG 2.95Å; R583-F607 HydrophobicContact CB-CB 4.03Å; R583-F607 HydrophobicContact CB-CD1 4.16Å; R583-F607 HydrophobicContact CB-CD2 4.18Å; R583-F607 HydrophobicContact CB-CG 3.87Å; R583-F607 HydrophobicContact CG-CB 4.48Å; R583-F607 HydrophobicContact CG-CD1 3.66Å; R583-F607 HydrophobicContact CG-CD2 4.12Å; R583-F607 HydrophobicContact CG-CE1 3.83Å; R583-F607 HydrophobicContact CG-CE2 4.28Å; R583-F607 HydrophobicContact CG-CG 3.83Å; R583-F607 HydrophobicContact CG-CZ 4.14Å
584A93.3Very high93.5Very high2 Ų227.9 Ų27.92%0.01714%0.141CC..Hα-helixtrans-60.8-44.1174.300000112.3L339 M341 N580 N581 L582 K586 C587 L667 M670L339-A584 HydrophobicContact CD1-CB 3.73Å; M341-A584 HydrophobicContact CE-CB 4.17Å; N580-A584 PolarHBondContact O-N 3.21Å; N581-A584 WeakPolarHBondContact O-CB 3.46Å; N581-A584 PolarHBondContact O-N 3.37Å; L582-A584 VanDerWaalsContact C-N 3.29Å; L582-A584 PolarHBondContact O-N 3.37Å; A584-K586 VanDerWaalsContact C-N 3.34Å; A584-K586 PolarHBondContact O-N 3.02Å; A584-C587 VanDerWaalsContact O-CB 3.3Å; A584-C587 WeakPolarHBondContact O-CB 3.36Å; A584-C587 PolarHBondContact O-N 2.95Å; A584-L667 WeakPolarHBondContact O-CD2 3.36Å; A584-M670 HydrophobicContact CB-CE 4.17Å
585L94.4Very high93.5Very high3 Ų324 Ų242%0.01612%0.123CC..Hα-helixtrans-69.1-30.2176.7-61.7-179.2000113.3M341 L483 V490 A494 F577 N581 L582 C587 L588 V672M341-L585 HydrophobicContact CE-CD2 4.45Å; M341-L585 HydrophobicContact SD-CD2 4.48Å; L483-L585 HydrophobicContact CD2-CD1 4.34Å; V490-L585 HydrophobicContact CG1-CD2 4.1Å; A494-L585 HydrophobicContact CB-CB 3.76Å; A494-L585 HydrophobicContact CB-CD1 4.34Å; F577-L585 HydrophobicContact CD1-CD1 4.5Å; N581-L585 WeakPolarHBondContact O-CG 3.41Å; N581-L585 PolarHBondContact O-N 3.08Å; L582-L585 PolarHBondContact O-N 3.14Å; L585-C587 VanDerWaalsContact C-N 3.26Å; L585-C587 PolarHBondContact O-N 3.13Å; L585-L588 WeakPolarHBondContact O-CB 3.44Å; L585-L588 WeakPolarHBondContact O-CD1 3.08Å; L585-L588 WeakPolarHBondContact O-CG 3.41Å; L585-L588 PolarHBondContact O-N 3.22Å; L585-L588 VanDerWaalsContact O-N 3.14Å; L585-V672 HydrophobicContact CD2-CG1 3.59Å
586K93.4Very high93.5Very high50 Ų5021.8 Ų21.822%0.21712%0.117CC..Hα-helixtrans-70.9-21.7174.8-74.5-179.7-174.3-164.20112.9A494 N495 L582 R583 A584 L588 S589 E604 F607A494-K586 HydrophobicContact CB-CG 4.44Å; N495-K586 WeakPolarHBondContact OD1-CE 3.46Å; N495-K586 PolarHBondContact OD1-NZ 3.14Å; L582-K586 WeakPolarHBondContact O-CB 3.44Å; L582-K586 VanDerWaalsContact O-CG 3.27Å; L582-K586 WeakPolarHBondContact O-CG 3.31Å; L582-K586 PolarHBondContact O-N 3.11Å; R583-K586 PolarHBondContact O-N 3.42Å; A584-K586 VanDerWaalsContact C-N 3.34Å; A584-K586 PolarHBondContact O-N 3.02Å; K586-L588 PolarHBondContact O-N 3.11Å; K586-S589 VanDerWaalsContact O-CB 3.29Å; K586-S589 WeakPolarHBondContact O-CB 3.08Å; K586-S589 PolarHBondContact O-N 3.44Å; K586-S589 PolarHBondContact O-OG 3.05Å; K586-E604 HydrophobicContact CB-CB 4.21Å; K586-E604 HydrophobicContact CB-CG 4.49Å; K586-E604 WeakPolarHBondContact CB-OE2 3.43Å; K586-E604 WeakPolarHBondContact CG-OE2 3.37Å; K586-F607 HydrophobicContact CB-CD2 3.97Å; K586-F607 HydrophobicContact CB-CE2 4.07Å; K586-F607 HydrophobicContact CD-CE2 3.98Å
587C94.1Very high93.5Very high0 Ų027.2 Ų27.20%014%0.142CC..G310 helixtrans-65.4-11.7169.1-67.30000113.8R583 A584 L585 S589 L590 F663 L667R583-C587 PolarHBondContact O-N 3.46Å; R583-C587 PolarHBondContact O-SG 2.95Å; A584-C587 VanDerWaalsContact O-CB 3.3Å; A584-C587 WeakPolarHBondContact O-CB 3.36Å; A584-C587 PolarHBondContact O-N 2.95Å; L585-C587 VanDerWaalsContact C-N 3.26Å; L585-C587 PolarHBondContact O-N 3.13Å; C587-S589 PolarHBondContact O-N 3.5Å; C587-S589 VanDerWaalsContact O-N 3.08Å; C587-L590 WeakPolarHBondContact O-CB 3.29Å; C587-L590 WeakPolarHBondContact O-CG 3.41Å; C587-L590 PolarHBondContact O-N 3.37Å; C587-F663 HydrophobicContact CB-CE1 3.64Å; C587-F663 HydrophobicContact CB-CZ 3.71Å; C587-L667 HydrophobicContact CB-CD1 3.78Å; C587-L667 HydrophobicContact CB-CD2 3.81Å; C587-L667 HydrophobicContact CB-CG 4.42Å
588L94.9Very high93.5Very high2 Ų228.7 Ų28.71%0.0115%0.149CC..G310 helixtrans-60.7-13.9167.8-61.9174000112.7T487 V490 F491 L585 K586 L590 V591 I645 L673T487-L588 HydrophobicContact CG2-CB 3.85Å; T487-L588 HydrophobicContact CG2-CD1 4.2Å; T487-L588 HydrophobicContact CG2-CD2 3.81Å; T487-L588 HydrophobicContact CG2-CG 4.15Å; V490-L588 HydrophobicContact CB-CD1 3.78Å; V490-L588 HydrophobicContact CG1-CD1 3.6Å; F491-L588 HydrophobicContact CB-CB 4.23Å; F491-L588 HydrophobicContact CD2-CB 4.22Å; L585-L588 WeakPolarHBondContact O-CB 3.44Å; L585-L588 WeakPolarHBondContact O-CD1 3.08Å; L585-L588 WeakPolarHBondContact O-CG 3.41Å; L585-L588 PolarHBondContact O-N 3.22Å; L585-L588 VanDerWaalsContact O-N 3.14Å; K586-L588 PolarHBondContact O-N 3.11Å; L588-L590 PolarHBondContact O-N 3.38Å; L588-V591 WeakPolarHBondContact O-CB 3.5Å; L588-V591 PolarHBondContact O-N 3.39Å; L588-I645 HydrophobicContact CD2-CD1 3.75Å; L588-I645 HydrophobicContact CD2-CG1 4.42Å; L588-L673 HydrophobicContact CD1-CD2 4.09Å; L588-L673 HydrophobicContact CD2-CD1 4.23Å; L588-L673 HydrophobicContact CD2-CD2 4.33Å
589S94.2Very high93.5Very high0 Ų035.4 Ų35.40%017%0.174CC..G310 helixtrans-53.9-18.3166.956.40000114K586 C587 V591 M595K586-S589 VanDerWaalsContact O-CB 3.29Å; K586-S589 WeakPolarHBondContact O-CB 3.08Å; K586-S589 PolarHBondContact O-N 3.44Å; K586-S589 PolarHBondContact O-OG 3.05Å; C587-S589 PolarHBondContact O-N 3.5Å; C587-S589 VanDerWaalsContact O-N 3.08Å; S589-V591 VanDerWaalsContact C-N 3.27Å; S589-V591 PolarHBondContact O-N 3.02Å; S589-M595 WeakPolarHBondContact O-CG 3.47Å
590L93.3Very high93.4Very high0 Ų031.9 Ų31.90%015%0.154CC..G310 helixtrans-71.1-18.7174.2-67.7173.1000114.6C587 L588 M595 E605 L625 W628 F663 L664 L667C587-L590 WeakPolarHBondContact O-CB 3.29Å; C587-L590 WeakPolarHBondContact O-CG 3.41Å; C587-L590 PolarHBondContact O-N 3.37Å; L588-L590 PolarHBondContact O-N 3.38Å; L590-M595 HydrophobicContact CD2-CE 4.23Å; L590-E605 HydrophobicContact CD2-CB 4.11Å; L590-E605 HydrophobicContact CD2-CG 3.52Å; L590-E605 HydrophobicContact CG-CG 4.18Å; L590-L625 HydrophobicContact CD2-CD2 3.28Å; L590-W628 PolarHBondContact O-NE1 3.04Å; L590-F663 HydrophobicContact CD1-CD1 3.24Å; L590-F663 HydrophobicContact CD1-CE1 3.47Å; L590-F663 VanDerWaalsContact CD1-CE1 3.47Å; L590-F663 HydrophobicContact CD1-CG 4.49Å; L590-L664 HydrophobicContact CB-CD2 4.17Å; L590-L667 HydrophobicContact CD1-CD1 4.42Å
591V95.3Very high93.1Very high0 Ų033 Ų330%016%0.16CC..SBendtrans-73.1129.8177176.20000109.5T487 L588 S589 A593 V594 M595 I645 L664T487-V591 HydrophobicContact CG2-CB 4.06Å; T487-V591 HydrophobicContact CG2-CG1 4.34Å; T487-V591 HydrophobicContact CG2-CG2 3.73Å; L588-V591 WeakPolarHBondContact O-CB 3.5Å; L588-V591 PolarHBondContact O-N 3.39Å; S589-V591 VanDerWaalsContact C-N 3.27Å; S589-V591 PolarHBondContact O-N 3.02Å; V591-A593 VanDerWaalsContact C-N 3.34Å; V591-A593 PolarHBondContact O-N 3.34Å; V591-V594 HydrophobicContact CB-CG2 4.04Å; V591-V594 HydrophobicContact CG1-CG2 4.41Å; V591-V594 WeakPolarHBondContact O-CA 3.42Å; V591-V594 WeakPolarHBondContact O-CB 3.47Å; V591-V594 PolarHBondContact O-N 3.23Å; V591-M595 PolarHBondContact O-N 2.83Å; V591-I645 HydrophobicContact CG2-CG1 3.71Å; V591-L664 HydrophobicContact CG2-CD2 4.25Å
592P95.2Very high92.3Very high0 Ų033 Ų330%016%0.159CC..Hα-helixtrans-57.1-37.9-169.6-29.337.1000115.3V594 M595 G596 W628 W632 L641 P642 T648P592-V594 VanDerWaalsContact C-N 3.32Å; P592-V594 PolarHBondContact O-N 3.35Å; P592-M595 WeakPolarHBondContact O-CB 3.34Å; P592-M595 PolarHBondContact O-N 3.37Å; P592-G596 PolarHBondContact O-N 3.05Å; P592-W628 HydrophobicContact CG-CZ2 4.02Å; P592-W632 HydrophobicContact CB-CD2 3.69Å; P592-W632 HydrophobicContact CB-CE3 4.02Å; P592-W632 HydrophobicContact CB-CG 3.96Å; P592-W632 HydrophobicContact CB-CZ2 4.3Å; P592-W632 HydrophobicContact CB-CZ3 4.44Å; P592-W632 HydrophobicContact CG-CD2 3.8Å; P592-W632 HydrophobicContact CG-CE3 4.4Å; P592-W632 HydrophobicContact CG-CG 4.16Å; P592-W632 HydrophobicContact CG-CH2 4.28Å; P592-W632 HydrophobicContact CG-CZ2 3.66Å; P592-L641 HydrophobicContact CB-CB 4.24Å; P592-L641 HydrophobicContact CB-CD2 3.7Å; P592-P642 HydrophobicContact CB-CG 4.41Å; P592-P642 HydrophobicContact CG-CB 4.28Å; P592-P642 HydrophobicContact CG-CG 4.03Å; P592-T648 VanDerWaalsContact CD-OG1 3.28Å; P592-T648 WeakPolarHBondContact CD-OG1 3.44Å; P592-T648 HydrophobicContact CG-CG2 4.22Å
593A95.3Very high91.7Very high16 Ų1636.2 Ų36.213%0.13218%0.18CC..Hα-helixtrans-64-38175.600000112.5V591 G596 H597 L641 P642 T643V591-A593 VanDerWaalsContact C-N 3.34Å; V591-A593 PolarHBondContact O-N 3.34Å; A593-G596 PolarHBondContact O-N 3.46Å; A593-H597 PolarHBondContact O-N 3.23Å; A593-L641 HydrophobicContact CB-CB 4.21Å; A593-P642 WeakPolarHBondContact CB-O 3.33Å; A593-P642 PolarHBondContact N-O 3.34Å; A593-T643 HydrophobicContact CB-CG2 3.83Å
594V95.4Very high90.9Very high0 Ų033 Ų330%017%0.17CC..Hα-helixtrans-66.8-43.3175.9-1720000110.2T487 L488 F491 V591 P592 G596 H597 M598T487-V594 HydrophobicContact CG2-CG2 4.14Å; L488-V594 HydrophobicContact CB-CG2 4.3Å; L488-V594 HydrophobicContact CD1-CB 4.46Å; L488-V594 HydrophobicContact CD1-CG1 4.29Å; L488-V594 HydrophobicContact CD1-CG2 4.18Å; F491-V594 HydrophobicContact CB-CG1 4.1Å; F491-V594 HydrophobicContact CD1-CG1 3.52Å; F491-V594 HydrophobicContact CD2-CG1 3.84Å; F491-V594 HydrophobicContact CE1-CG1 3.84Å; F491-V594 HydrophobicContact CE2-CG1 4.12Å; F491-V594 HydrophobicContact CG-CG1 3.52Å; F491-V594 HydrophobicContact CZ-CG1 4.14Å; V591-V594 HydrophobicContact CB-CG2 4.04Å; V591-V594 HydrophobicContact CG1-CG2 4.41Å; V591-V594 WeakPolarHBondContact O-CA 3.42Å; V591-V594 WeakPolarHBondContact O-CB 3.47Å; V591-V594 PolarHBondContact O-N 3.23Å; P592-V594 VanDerWaalsContact C-N 3.32Å; P592-V594 PolarHBondContact O-N 3.35Å; V594-G596 VanDerWaalsContact C-N 3.29Å; V594-G596 PolarHBondContact O-N 3.47Å; V594-H597 WeakPolarHBondContact O-CB 3.43Å; V594-H597 PolarHBondContact O-N 2.89Å; V594-H597 VanDerWaalsContact O-N 3.15Å; V594-M598 HydrophobicContact CG1-SD 4.47Å; V594-M598 WeakPolarHBondContact O-CG 3.41Å; V594-M598 PolarHBondContact O-N 3.28Å
595M94.2Very high89.9Confident0 Ų033 Ų330%017%0.169CC..Hα-helixtrans-55.1-45.8171.6-61.5-166.9164.600112.1S589 L590 V591 P592 H597 M598 K599 F600 T602 E605 W628S589-M595 WeakPolarHBondContact O-CG 3.47Å; L590-M595 HydrophobicContact CD2-CE 4.23Å; V591-M595 PolarHBondContact O-N 2.83Å; P592-M595 WeakPolarHBondContact O-CB 3.34Å; P592-M595 PolarHBondContact O-N 3.37Å; M595-H597 VanDerWaalsContact C-N 3.32Å; M595-H597 PolarHBondContact O-N 2.57Å; M595-M598 CarbonylContact O-C 3.6Å; M595-M598 PolarHBondContact O-N 3.16Å; M595-K599 PolarHBondContact O-N 3.42Å; M595-K599 VanDerWaalsContact O-N 3.16Å; M595-F600 HydrophobicContact CB-CD1 3.74Å; M595-F600 HydrophobicContact CB-CE1 3.81Å; M595-F600 PolarHBondContact O-N 2.8Å; M595-F600 HydrophobicContact SD-CD1 4.49Å; M595-T602 HydrophobicContact CB-CG2 4.35Å; M595-T602 HydrophobicContact CG-CG2 4.07Å; M595-E605 WeakPolarHBondContact CE-OE1 3.49Å; M595-W628 HydrophobicContact CE-CG 4.44Å
596G93.1Very high89.2Confident23 Ų2337.3 Ų37.324%0.23719%0.192CC..Hα-helixtrans-58.6-44.2177.800000112.1P592 A593 V594 M598 K599P592-G596 PolarHBondContact O-N 3.05Å; A593-G596 PolarHBondContact O-N 3.46Å; V594-G596 VanDerWaalsContact C-N 3.29Å; V594-G596 PolarHBondContact O-N 3.47Å; G596-M598 VanDerWaalsContact C-N 3.34Å; G596-M598 PolarHBondContact O-N 3.25Å; G596-K599 PolarHBondContact O-N 2.94Å; G596-K599 VanDerWaalsContact O-N 3.07Å
597H92.9Very high88.8Confident119 Ų11938 Ų3855%0.55120%0.195SC*.Hα-helixtrans-61.7-40.9175.6-175.6-95.9000112.2L488 A593 V594 M595 K599L488-H597 HydrophobicContact CD1-CB 3.87Å; A593-H597 PolarHBondContact O-N 3.23Å; V594-H597 WeakPolarHBondContact O-CB 3.43Å; V594-H597 PolarHBondContact O-N 2.89Å; V594-H597 VanDerWaalsContact O-N 3.15Å; M595-H597 VanDerWaalsContact C-N 3.32Å; M595-H597 PolarHBondContact O-N 2.57Å; H597-K599 PolarHBondContact O-N 2.96Å
598M91.7Very high88.2Confident38 Ų3838 Ų3819%0.18720%0.195CC..THydrogen-bonded Turntrans-76.16.8174.9-61.8-175.883.100114F491 V594 M595 G596 F600 N601 T602 E604F491-M598 HydrophobicContact CE1-CE 4.46Å; F491-M598 HydrophobicContact CE1-CG 4.1Å; F491-M598 HydrophobicContact CE1-SD 3.88Å; F491-M598 HydrophobicContact CE2-SD 4.14Å; F491-M598 HydrophobicContact CZ-CE 3.77Å; F491-M598 HydrophobicContact CZ-CG 4.18Å; F491-M598 HydrophobicContact CZ-SD 3.35Å; F491-M598 WeakPolarHBondContact CZ-SD 3.43Å; V594-M598 HydrophobicContact CG1-SD 4.47Å; V594-M598 WeakPolarHBondContact O-CG 3.41Å; V594-M598 PolarHBondContact O-N 3.28Å; M595-M598 CarbonylContact O-C 3.6Å; M595-M598 PolarHBondContact O-N 3.16Å; G596-M598 VanDerWaalsContact C-N 3.34Å; G596-M598 PolarHBondContact O-N 3.25Å; M598-F600 PolarHBondContact O-N 2.65Å; M598-F600 VanDerWaalsContact O-N 3.13Å; M598-N601 WeakPolarHBondContact CE-O 3.3Å; M598-N601 PolarHBondContact O-N 3.37Å; M598-T602 HydrophobicContact CB-CG2 4.45Å; M598-T602 HydrophobicContact SD-CG2 4.06Å; M598-E604 HydrophobicContact CE-CG 4.43Å
599K91.7Very high87.6Confident181 Ų18143.8 Ų43.879%0.78722%0.222SC*.THydrogen-bonded Turntrans5331.9-174.1-55.7176.8-178.3173.40112.6M595 G596 H597 N601M595-K599 PolarHBondContact O-N 3.42Å; M595-K599 VanDerWaalsContact O-N 3.16Å; G596-K599 PolarHBondContact O-N 2.94Å; G596-K599 VanDerWaalsContact O-N 3.07Å; H597-K599 PolarHBondContact O-N 2.96Å; K599-N601 PolarHBondContact O-N 3.27Å
600F89.7Confident87.2Confident31 Ų3147.8 Ų47.814%0.13625%0.247CC..THydrogen-bonded Turntrans61.226.4-177.2-52.8-86000114.3M595 M598 R629 W632 K633M595-F600 HydrophobicContact CB-CD1 3.74Å; M595-F600 HydrophobicContact CB-CE1 3.81Å; M595-F600 PolarHBondContact O-N 2.8Å; M595-F600 HydrophobicContact SD-CD1 4.49Å; M598-F600 PolarHBondContact O-N 2.65Å; M598-F600 VanDerWaalsContact O-N 3.13Å; F600-R629 HydrophobicContact CB-CG 4.12Å; F600-R629 HydrophobicContact CD1-CG 4.44Å; F600-R629 WeakPolarHBondContact O-CD 3.41Å; F600-W632 HydrophobicContact CE1-CB 3.78Å; F600-K633 HydrophobicContact CB-CD 4.33Å; F600-K633 HydrophobicContact CD1-CB 3.97Å; F600-K633 HydrophobicContact CD2-CB 4.11Å; F600-K633 HydrophobicContact CD2-CG 3.98Å; F600-K633 HydrophobicContact CE1-CB 4.23Å; F600-K633 HydrophobicContact CE2-CB 4.35Å; F600-K633 HydrophobicContact CE2-CG 4.41Å; F600-K633 HydrophobicContact CG-CB 3.92Å; F600-K633 HydrophobicContact CG-CD 4.48Å; F600-K633 HydrophobicContact CG-CG 4.13Å; F600-K633 HydrophobicContact CZ-CB 4.42Å
601N84.6Confident87Confident108 Ų10848.2 Ų48.258%0.57825%0.248SC*.  trans-96.679.5169.1-173.423.7000110.2M598 K599M598-N601 WeakPolarHBondContact CE-O 3.3Å; M598-N601 PolarHBondContact O-N 3.37Å; K599-N601 PolarHBondContact O-N 3.27Å
602T76.8Confident86.8Confident0 Ų051 Ų510%027%0.268CS..  trans-108.964.3-168.352.10000112.2M595 M598 E604 E605 R629M595-T602 HydrophobicContact CB-CG2 4.35Å; M595-T602 HydrophobicContact CG-CG2 4.07Å; M598-T602 HydrophobicContact CB-CG2 4.45Å; M598-T602 HydrophobicContact SD-CG2 4.06Å; T602-E604 PolarHBondContact O-N 3.09Å; T602-E605 VanDerWaalsContact CB-CD 3.43Å; T602-E605 WeakPolarHBondContact CB-OE1 3.46Å; T602-E605 WeakPolarHBondContact O-CG 3.48Å; T602-E605 PolarHBondContact O-N 2.97Å; T602-E605 PolarHBondContact OG1-OE1 3.45Å; T602-E605 PolarHBondContact OG1-OE2 3.39Å; T602-R629 PolarHBondContact O-NH2 3.44Å; T602-R629 VanDerWaalsContact OG1-CZ 3.27Å; T602-R629 PolarHBondContact OG1-NE 3.06Å; T602-R629 PolarHBondContact OG1-NH2 3.37Å
603T79.2Confident86.6Confident90 Ų9054 Ų5455%0.55230%0.298SS*.G310 helixtrans-67.3-21.5174510000112.9E605 N606T603-E605 PolarHBondContact O-N 2.91Å; T603-N606 PolarHBondContact O-N 2.85Å
604E75.8Confident86.5Confident30 Ų3053.6 Ų53.614%0.1429%0.294CS..G310 helixtrans-69.4-16.6-179.6-63.2-177.6-172.600113.1F491 K586 M598 T602 N606 F607F491-E604 WeakPolarHBondContact CE2-OE2 3.24Å; F491-E604 WeakPolarHBondContact CZ-OE2 3.34Å; K586-E604 HydrophobicContact CB-CB 4.21Å; K586-E604 HydrophobicContact CB-CG 4.49Å; K586-E604 WeakPolarHBondContact CB-OE2 3.43Å; K586-E604 WeakPolarHBondContact CG-OE2 3.37Å; M598-E604 HydrophobicContact CE-CG 4.43Å; T602-E604 PolarHBondContact O-N 3.09Å; E604-N606 PolarHBondContact O-N 3.32Å; E604-F607 HydrophobicContact CB-CD2 4.17Å; E604-F607 HydrophobicContact CB-CE2 4.05Å; E604-F607 HydrophobicContact CG-CE2 4.16Å; E604-F607 WeakPolarHBondContact O-CB 3.38Å; E604-F607 WeakPolarHBondContact O-CD2 3.41Å; E604-F607 WeakPolarHBondContact O-CG 3.11Å; E604-F607 PolarHBondContact O-N 3.31Å; E604-F607 VanDerWaalsContact O-N 3.17Å
605E73.3Confident86.5Confident1 Ų154 Ų541%0.00530%0.296CS..G310 helixtrans-62.5-23.2175.2-60.3170.3176.100112.4L590 M595 T602 T603 F607 A608 L625 R629L590-E605 HydrophobicContact CD2-CB 4.11Å; L590-E605 HydrophobicContact CD2-CG 3.52Å; L590-E605 HydrophobicContact CG-CG 4.18Å; M595-E605 WeakPolarHBondContact CE-OE1 3.49Å; T602-E605 VanDerWaalsContact CB-CD 3.43Å; T602-E605 WeakPolarHBondContact CB-OE1 3.46Å; T602-E605 WeakPolarHBondContact O-CG 3.48Å; T602-E605 PolarHBondContact O-N 2.97Å; T602-E605 PolarHBondContact OG1-OE1 3.45Å; T602-E605 PolarHBondContact OG1-OE2 3.39Å; T603-E605 PolarHBondContact O-N 2.91Å; E605-F607 PolarHBondContact O-N 3.32Å; E605-F607 VanDerWaalsContact O-N 3.15Å; E605-A608 WeakPolarHBondContact O-CB 3.49Å; E605-A608 PolarHBondContact O-N 3.11Å; E605-L625 HydrophobicContact CB-CD1 3.96Å; E605-L625 HydrophobicContact CB-CD2 4.45Å; E605-R629 IonicContact OE2-CZ 2.99Å; E605-R629 IonicContact OE2-NE 2.79Å; E605-R629 IonicContact OE2-NH2 3.84Å; E605-R629 PolarHBondContact OE2-NH2 3.2Å
606N78.8Confident86.5Confident94 Ų9457.6 Ų57.650%0.50332%0.319SS..G310 helixtrans-63.5-19.7178.3-66.1-7.1000112.4T603 E604 A608 E609T603-N606 PolarHBondContact O-N 2.85Å; E604-N606 PolarHBondContact O-N 3.32Å; N606-A608 PolarHBondContact O-N 2.91Å; N606-E609 WeakPolarHBondContact O-CB 3.04Å; N606-E609 WeakPolarHBondContact O-CG 3.21Å; N606-E609 PolarHBondContact O-N 3.35Å
607F84.5Confident86.6Confident65 Ų6560.5 Ų60.529%0.28533%0.329SS..G310 helixtrans-65.4-16.3173-60.1-43.2000112.9R583 K586 E604 E605 E609 V610R583-F607 HydrophobicContact CB-CB 4.03Å; R583-F607 HydrophobicContact CB-CD1 4.16Å; R583-F607 HydrophobicContact CB-CD2 4.18Å; R583-F607 HydrophobicContact CB-CG 3.87Å; R583-F607 HydrophobicContact CG-CB 4.48Å; R583-F607 HydrophobicContact CG-CD1 3.66Å; R583-F607 HydrophobicContact CG-CD2 4.12Å; R583-F607 HydrophobicContact CG-CE1 3.83Å; R583-F607 HydrophobicContact CG-CE2 4.28Å; R583-F607 HydrophobicContact CG-CG 3.83Å; R583-F607 HydrophobicContact CG-CZ 4.14Å; K586-F607 HydrophobicContact CB-CD2 3.97Å; K586-F607 HydrophobicContact CB-CE2 4.07Å; K586-F607 HydrophobicContact CD-CE2 3.98Å; E604-F607 HydrophobicContact CB-CD2 4.17Å; E604-F607 HydrophobicContact CB-CE2 4.05Å; E604-F607 HydrophobicContact CG-CE2 4.16Å; E604-F607 WeakPolarHBondContact O-CB 3.38Å; E604-F607 WeakPolarHBondContact O-CD2 3.41Å; E604-F607 WeakPolarHBondContact O-CG 3.11Å; E604-F607 PolarHBondContact O-N 3.31Å; E604-F607 VanDerWaalsContact O-N 3.17Å; E605-F607 PolarHBondContact O-N 3.32Å; E605-F607 VanDerWaalsContact O-N 3.15Å; F607-E609 PolarHBondContact O-N 3.03Å; F607-V610 PolarHBondContact O-N 3.4Å
608A82.2Confident86.6Confident0 Ų057.1 Ų57.10%032%0.318CS..G310 helixtrans-63-19.7173.300000113.3E605 N606 V610 Y611 L621 F663E605-A608 WeakPolarHBondContact O-CB 3.49Å; E605-A608 PolarHBondContact O-N 3.11Å; N606-A608 PolarHBondContact O-N 2.91Å; A608-V610 PolarHBondContact O-N 3.01Å; A608-Y611 PolarHBondContact O-N 2.82Å; A608-L621 HydrophobicContact CB-CD2 4.13Å; A608-F663 HydrophobicContact CB-CD1 3.84Å; A608-F663 HydrophobicContact CB-CE1 3.36Å; A608-F663 HydrophobicContact CB-CE2 4.44Å; A608-F663 HydrophobicContact CB-CZ 3.73Å
609E82.4Confident86.7Confident123 Ų12363 Ų6358%0.57535%0.351SS*.G310 helixtrans-58.7-29.5178.2-71.4-179.9-178.200112.8N606 F607 Y611 S612N606-E609 WeakPolarHBondContact O-CB 3.04Å; N606-E609 WeakPolarHBondContact O-CG 3.21Å; N606-E609 PolarHBondContact O-N 3.35Å; F607-E609 PolarHBondContact O-N 3.03Å; E609-Y611 PolarHBondContact O-N 3.23Å; E609-Y611 VanDerWaalsContact O-N 3.17Å; E609-S612 VanDerWaalsContact O-CB 3.25Å; E609-S612 WeakPolarHBondContact O-CB 3.1Å; E609-S612 PolarHBondContact O-N 3.1Å; E609-S612 PolarHBondContact O-OG 3.37Å
610V86.1Confident86.8Confident85 Ų8557.7 Ų57.752%0.51533%0.333SS..G310 helixtrans-59.8-27.7175.3178.60000111.6L337 F607 A608L337-V610 HydrophobicContact CD2-CG1 4.04Å; F607-V610 PolarHBondContact O-N 3.4Å; A608-V610 PolarHBondContact O-N 3.01Å
611Y89.4Confident87Confident9 Ų956.6 Ų56.64%0.03533%0.329CS..G310 helixtrans-96.616.4179.7-60.4-88.6000112.4L337 L339 A608 E609 G613 D614 L615 F663 V666 M670L337-Y611 HydrophobicContact CD2-CE1 4.26Å; L339-Y611 WeakPolarHBondContact CD1-OH 3.45Å; A608-Y611 PolarHBondContact O-N 2.82Å; E609-Y611 PolarHBondContact O-N 3.23Å; E609-Y611 VanDerWaalsContact O-N 3.17Å; Y611-G613 PolarHBondContact O-N 3.35Å; Y611-G613 VanDerWaalsContact O-N 3.09Å; Y611-D614 WeakPolarHBondContact CD1-OD2 3.41Å; Y611-D614 VanDerWaalsContact O-CB 3.31Å; Y611-D614 WeakPolarHBondContact O-CB 3.38Å; Y611-D614 PolarHBondContact O-N 3.25Å; Y611-L615 WeakPolarHBondContact O-CG 3.3Å; Y611-F663 HydrophobicContact CD1-CE2 4.28Å; Y611-F663 HydrophobicContact CD2-CD2 4.37Å; Y611-F663 AromaticContact CD2-CE2 3.32Å; Y611-F663 HydrophobicContact CD2-CE2 3.32Å; Y611-F663 AromaticContact CD2-CZ 3.81Å; Y611-F663 HydrophobicContact CD2-CZ 3.81Å; Y611-F663 AromaticContact CE2-CE2 3.93Å; Y611-F663 HydrophobicContact CE2-CE2 3.93Å; Y611-F663 HydrophobicContact CE2-CZ 4.22Å; Y611-F663 HydrophobicContact CG-CD2 4.18Å; Y611-F663 AromaticContact CG-CE2 3.51Å; Y611-F663 HydrophobicContact CG-CE2 3.51Å; Y611-F663 HydrophobicContact CG-CZ 4.42Å; Y611-V666 HydrophobicContact CD1-CG1 3.92Å; Y611-V666 HydrophobicContact CE1-CG1 3.99Å; Y611-M670 HydrophobicContact CE1-CE 4.4Å; Y611-M670 WeakPolarHBondContact OH-CE 3.17Å
612S90.8Very high87.3Confident59 Ų5955.4 Ų55.441%0.41333%0.327SS..G310 helixtrans-54.7-32.9-178.766.30000113.1E609 D614 L615 P618E609-S612 VanDerWaalsContact O-CB 3.25Å; E609-S612 WeakPolarHBondContact O-CB 3.1Å; E609-S612 PolarHBondContact O-N 3.1Å; E609-S612 PolarHBondContact O-OG 3.37Å; S612-D614 PolarHBondContact O-N 2.78Å; S612-L615 PolarHBondContact O-N 3.47Å; S612-P618 WeakPolarHBondContact O-CB 3.4Å; S612-P618 WeakPolarHBondContact O-CG 3.48Å
613G91.1Very high88.1Confident61 Ų6158.3 Ų58.363%0.62935%0.351SS*.G310 helixtrans-67-16.917600000114.7Y611Y611-G613 PolarHBondContact O-N 3.35Å; Y611-G613 VanDerWaalsContact O-N 3.09Å
614D93.8Very high88.9Confident8 Ų854.9 Ų54.94%0.04333%0.328CS..G310 helixtrans-92.6-19.1-178.9-63.3-22.8000112.8F242 R310 Y611 S612 V666F242-D614 HydrophobicContact CE1-CB 4.02Å; F242-D614 WeakPolarHBondContact CE1-OD1 3.38Å; F242-D614 HydrophobicContact CE2-CB 4.13Å; F242-D614 HydrophobicContact CZ-CB 3.44Å; F242-D614 VanDerWaalsContact CZ-CB 3.44Å; R310-D614 IonicContact CZ-OD1 3.97Å; R310-D614 IonicContact CZ-OD2 3.46Å; R310-D614 IonicContact NE-OD1 3.07Å; R310-D614 IonicContact NE-OD2 3.86Å; R310-D614 PolarHBondContact NE-OD2 3.37Å; R310-D614 IonicContact NH2-OD1 2.8Å; R310-D614 PolarHBondContact NH2-OD1 3.03Å; R310-D614 IonicContact NH2-OD2 3.66Å; R310-D614 PolarHBondContact NH2-OD2 3.38Å; Y611-D614 WeakPolarHBondContact CD1-OD2 3.41Å; Y611-D614 VanDerWaalsContact O-CB 3.31Å; Y611-D614 WeakPolarHBondContact O-CB 3.38Å; Y611-D614 PolarHBondContact O-N 3.25Å; S612-D614 PolarHBondContact O-N 2.78Å; D614-V666 HydrophobicContact CB-CG2 4.35Å
615L94.3Very high89.7Confident10 Ų1053.8 Ų53.85%0.05232%0.324CS..SBendtrans-82.6143.3-172.2-54.2-179.7000111.9Y611 S612 N617 P618 L621 N659 F663Y611-L615 WeakPolarHBondContact O-CG 3.3Å; S612-L615 PolarHBondContact O-N 3.47Å; L615-N617 PolarHBondContact O-N 2.95Å; L615-P618 HydrophobicContact CB-CB 4.45Å; L615-P618 HydrophobicContact CB-CG 4.14Å; L615-L621 HydrophobicContact CD1-CB 4.21Å; L615-L621 HydrophobicContact CD1-CD1 3.96Å; L615-L621 HydrophobicContact CD1-CD2 3.6Å; L615-L621 HydrophobicContact CD1-CG 4.12Å; L615-N659 WeakPolarHBondContact CB-OD1 3.22Å; L615-N659 HydrophobicContact CD1-CB 4.42Å; L615-F663 HydrophobicContact CD2-CB 3.78Å; L615-F663 HydrophobicContact CD2-CD2 4.44Å; L615-F663 HydrophobicContact CD2-CG 4.36Å
616P94.4Very high90.6Very high74 Ų7458.7 Ų58.748%0.48135%0.346SS..SBendtrans-61.2-40.4176.5-24.733.8000113.8A662P616-A662 VanDerWaalsContact CD-CB 3.5Å; P616-A662 HydrophobicContact CG-CB 3.94Å
617N94.9Very high91.4Very high84 Ų8457.5 Ų57.545%0.44934%0.344SS..SBendtrans-137.874.4-176.9-60.3-63.3000110.7L615 D619 T620 N659L615-N617 PolarHBondContact O-N 2.95Å; N617-D619 VanDerWaalsContact C-N 3.28Å; N617-D619 PolarHBondContact O-N 3.3Å; N617-T620 WeakPolarHBondContact CB-OG1 3.35Å; N617-T620 PolarHBondContact O-N 2.99Å; N617-T620 VanDerWaalsContact O-N 3.09Å; N617-T620 PolarHBondContact O-OG1 3.22Å; N617-N659 VanDerWaalsContact C-OD1 3.29Å; N617-N659 WeakPolarHBondContact CA-OD1 3.43Å; N617-N659 PolarHBondContact N-OD1 3.32Å; N617-N659 PolarHBondContact O-ND2 2.96Å; N617-N659 PolarHBondContact O-OD1 3.01Å
618P93.6Very high91.8Very high49 Ų4954.4 Ų54.432%0.31833%0.331SS..G310 helixtrans-60.8-35.9-169-2031.5000113.3S612 L615 T620 L621S612-P618 WeakPolarHBondContact O-CB 3.4Å; S612-P618 WeakPolarHBondContact O-CG 3.48Å; L615-P618 HydrophobicContact CB-CB 4.45Å; L615-P618 HydrophobicContact CB-CG 4.14Å; P618-T620 PolarHBondContact O-N 3.49Å; P618-L621 VanDerWaalsContact O-CB 3.25Å; P618-L621 WeakPolarHBondContact O-CB 3.41Å; P618-L621 PolarHBondContact O-N 3.47Å; P618-L621 VanDerWaalsContact O-N 3.11Å
619D93.8Very high92.3Very high162 Ų16257.4 Ų57.487%0.86634%0.342SS*.G310 helixtrans-62.2-25.2-179.9-61.6-30.8000113.4N617N617-D619 VanDerWaalsContact C-N 3.28Å; N617-D619 PolarHBondContact O-N 3.3Å
620T94Very high92.9Very high68 Ų6855 Ų5542%0.41733%0.333SS..G310 helixtrans-94-5-179.464.70000113.1N617 P618 A623 E624 N659N617-T620 WeakPolarHBondContact CB-OG1 3.35Å; N617-T620 PolarHBondContact O-N 2.99Å; N617-T620 VanDerWaalsContact O-N 3.09Å; N617-T620 PolarHBondContact O-OG1 3.22Å; P618-T620 PolarHBondContact O-N 3.49Å; T620-A623 PolarHBondContact O-N 2.88Å; T620-E624 WeakPolarHBondContact O-CB 3.4Å; T620-E624 PolarHBondContact O-N 3.33Å; T620-N659 PolarHBondContact OG1-ND2 3.33Å; T620-N659 VanDerWaalsContact OG1-ND2 3.11Å
621L92.8Very high93.2Very high9 Ų954 Ų545%0.04732%0.321CS..Hα-helixtrans-52.8-48-176.3175.771.1000112.7A608 L615 P618 A623 E624 L625 N659A608-L621 HydrophobicContact CB-CD2 4.13Å; L615-L621 HydrophobicContact CD1-CB 4.21Å; L615-L621 HydrophobicContact CD1-CD1 3.96Å; L615-L621 HydrophobicContact CD1-CD2 3.6Å; L615-L621 HydrophobicContact CD1-CG 4.12Å; P618-L621 VanDerWaalsContact O-CB 3.25Å; P618-L621 WeakPolarHBondContact O-CB 3.41Å; P618-L621 PolarHBondContact O-N 3.47Å; P618-L621 VanDerWaalsContact O-N 3.11Å; L621-A623 VanDerWaalsContact C-N 3.33Å; L621-A623 PolarHBondContact O-N 2.86Å; L621-E624 PolarHBondContact O-N 3.35Å; L621-E624 VanDerWaalsContact O-N 3.17Å; L621-L625 HydrophobicContact CD1-CD1 3.97Å; L621-L625 HydrophobicContact CD1-CD2 4.2Å; L621-L625 HydrophobicContact CD1-CG 3.82Å; L621-L625 HydrophobicContact CD2-CD1 4.42Å; L621-L625 HydrophobicContact CG-CD1 3.86Å; L621-L625 HydrophobicContact CG-CG 4.12Å; L621-L625 WeakPolarHBondContact O-CB 3.35Å; L621-L625 VanDerWaalsContact O-CG 3.29Å; L621-L625 WeakPolarHBondContact O-CG 3.42Å; L621-L625 PolarHBondContact O-N 3.36Å; L621-N659 HydrophobicContact CD1-CB 3.83Å
622P92.2Very high93.4Very high82 Ų8254 Ų5453%0.53232%0.321SS..Hα-helixtrans-62.1-39.1-178-24.235.4000113.4H626P622-H626 WeakPolarHBondContact O-CB 3.5Å; P622-H626 PolarHBondContact O-N 2.99Å; P622-H626 VanDerWaalsContact O-N 3.13Å
623A93.4Very high93.5Very high62 Ų6256.9 Ų56.951%0.51233%0.326SS..Hα-helixtrans-69.4-39.7177.200000111.2T620 L621 H626 C627T620-A623 PolarHBondContact O-N 2.88Å; L621-A623 VanDerWaalsContact C-N 3.33Å; L621-A623 PolarHBondContact O-N 2.86Å; A623-H626 WeakPolarHBondContact O-CB 3.33Å; A623-H626 PolarHBondContact O-N 2.91Å; A623-C627 PolarHBondContact O-N 3.29Å; A623-C627 PolarHBondContact O-SG 2.94Å; A623-C627 VanDerWaalsContact O-SG 3.36Å
624E94.8Very high93.6Very high17 Ų1760.7 Ų60.78%0.07933%0.327CS..Hα-helixtrans-65.9-45.2178.3-169.2178141.600112.2T620 L621 H626 C627 W628 F657 P658 N659 V660T620-E624 WeakPolarHBondContact O-CB 3.4Å; T620-E624 PolarHBondContact O-N 3.33Å; L621-E624 PolarHBondContact O-N 3.35Å; L621-E624 VanDerWaalsContact O-N 3.17Å; E624-H626 VanDerWaalsContact C-N 3.3Å; E624-H626 PolarHBondContact O-N 3.06Å; E624-C627 PolarHBondContact O-N 3.43Å; E624-W628 WeakPolarHBondContact O-CB 3.19Å; E624-W628 PolarHBondContact O-N 2.94Å; E624-F657 HydrophobicContact CG-CB 4.05Å; E624-F657 HydrophobicContact CG-CD1 3.7Å; E624-F657 HydrophobicContact CG-CG 4.35Å; E624-F657 WeakPolarHBondContact OE1-CA 3.18Å; E624-F657 VanDerWaalsContact OE1-CB 3.32Å; E624-F657 WeakPolarHBondContact OE1-CB 3.44Å; E624-F657 VanDerWaalsContact OE1-O 3.12Å; E624-P658 VanDerWaalsContact OE1-N 3.12Å; E624-N659 WeakPolarHBondContact OE1-CA 3.49Å; E624-N659 WeakPolarHBondContact OE1-CB 3.4Å; E624-N659 PolarHBondContact OE1-N 3.42Å; E624-N659 WeakPolarHBondContact OE2-CB 3.33Å; E624-N659 VanDerWaalsContact OE2-CG 3.32Å; E624-N659 PolarHBondContact OE2-N 3.36Å; E624-N659 PolarHBondContact OE2-ND2 2.84Å; E624-V660 HydrophobicContact CG-CG2 4.23Å; E624-V660 PolarHBondContact OE1-N 3.1Å
625L93Very high93.5Very high7 Ų764.3 Ų64.34%0.03734%0.341CS..Hα-helixtrans-58.2-42.1173.4-71.4177.8000111.8L590 E605 L621 W628 R629 V660L590-L625 HydrophobicContact CD2-CD2 3.28Å; E605-L625 HydrophobicContact CB-CD1 3.96Å; E605-L625 HydrophobicContact CB-CD2 4.45Å; L621-L625 HydrophobicContact CD1-CD1 3.97Å; L621-L625 HydrophobicContact CD1-CD2 4.2Å; L621-L625 HydrophobicContact CD1-CG 3.82Å; L621-L625 HydrophobicContact CD2-CD1 4.42Å; L621-L625 HydrophobicContact CG-CD1 3.86Å; L621-L625 HydrophobicContact CG-CG 4.12Å; L621-L625 WeakPolarHBondContact O-CB 3.35Å; L621-L625 VanDerWaalsContact O-CG 3.29Å; L621-L625 WeakPolarHBondContact O-CG 3.42Å; L621-L625 PolarHBondContact O-N 3.36Å; L625-W628 PolarHBondContact O-N 3.18Å; L625-R629 WeakPolarHBondContact O-CB 3.21Å; L625-R629 PolarHBondContact O-N 3.31Å; L625-V660 HydrophobicContact CD2-CG2 4.11Å
626H92.7Very high93.3Very high105 Ų10566 Ų6649%0.48636%0.36SS..Hα-helixtrans-60.5-47.4175-177.669.9000112.1P622 A623 E624 R629 I630P622-H626 WeakPolarHBondContact O-CB 3.5Å; P622-H626 PolarHBondContact O-N 2.99Å; P622-H626 VanDerWaalsContact O-N 3.13Å; A623-H626 WeakPolarHBondContact O-CB 3.33Å; A623-H626 PolarHBondContact O-N 2.91Å; E624-H626 VanDerWaalsContact C-N 3.3Å; E624-H626 PolarHBondContact O-N 3.06Å; H626-R629 PolarHBondContact O-N 3.48Å; H626-I630 WeakPolarHBondContact NE2-CD1 3.26Å; H626-I630 WeakPolarHBondContact O-CG1 3.41Å; H626-I630 PolarHBondContact O-N 3.28Å
627C94.4Very high92.8Very high68 Ų6872.9 Ų72.946%0.45938%0.383SS..Hα-helixtrans-63-41.7176.3-71.40000112.1A623 E624 R629 I630 K631 F657A623-C627 PolarHBondContact O-N 3.29Å; A623-C627 PolarHBondContact O-SG 2.94Å; A623-C627 VanDerWaalsContact O-SG 3.36Å; E624-C627 PolarHBondContact O-N 3.43Å; C627-R629 PolarHBondContact O-N 3.01Å; C627-I630 PolarHBondContact O-N 3Å; C627-K631 WeakPolarHBondContact O-CB 3.46Å; C627-K631 PolarHBondContact O-N 3.01Å; C627-F657 HydrophobicContact CB-CE1 3.76Å
628W94.3Very high92.5Very high0 Ų078.3 Ų78.30%041%0.405CS..Hα-helixtrans-59.5-46.6177.2-178.2-118000111.2L590 P592 M595 E624 L625 K631 W632 T648 V654 F657 V660L590-W628 PolarHBondContact O-NE1 3.04Å; P592-W628 HydrophobicContact CG-CZ2 4.02Å; M595-W628 HydrophobicContact CE-CG 4.44Å; E624-W628 WeakPolarHBondContact O-CB 3.19Å; E624-W628 PolarHBondContact O-N 2.94Å; L625-W628 PolarHBondContact O-N 3.18Å; W628-K631 HydrophobicContact CE3-CD 4.13Å; W628-K631 HydrophobicContact CZ3-CD 4.15Å; W628-K631 WeakPolarHBondContact O-CB 3.39Å; W628-K631 PolarHBondContact O-N 3.27Å; W628-W632 AromaticContact CD2-CD1 3.78Å; W628-W632 AromaticContact CD2-NE1 3.52Å; W628-W632 AromaticContact CE2-CD1 3.62Å; W628-W632 AromaticContact CE2-NE1 3.22Å; W628-W632 AromaticContact CE3-NE1 3.61Å; W628-W632 AromaticContact CH2-CE2 3.85Å; W628-W632 AromaticContact CH2-CZ2 3.92Å; W628-W632 HydrophobicContact CH2-CZ2 3.92Å; W628-W632 AromaticContact CH2-NE1 3.17Å; W628-W632 AromaticContact CZ2-CD1 3.89Å; W628-W632 AromaticContact CZ2-CE2 3.96Å; W628-W632 HydrophobicContact CZ2-CZ2 4.33Å; W628-W632 AromaticContact CZ2-NE1 3.04Å; W628-W632 HydrophobicContact CZ3-CZ2 4.45Å; W628-W632 AromaticContact CZ3-NE1 3.45Å; W628-W632 AromaticContact NE1-CD1 3.97Å; W628-W632 AromaticContact NE1-NE1 3.99Å; W628-W632 PolarHBondContact O-N 2.86Å; W628-T648 HydrophobicContact CH2-CG2 3.91Å; W628-T648 HydrophobicContact CZ2-CG2 3.64Å; W628-V654 HydrophobicContact CH2-CG2 4.4Å; W628-F657 HydrophobicContact CB-CD1 3.99Å; W628-F657 HydrophobicContact CB-CE1 4.04Å; W628-F657 HydrophobicContact CE3-CB 4.35Å; W628-F657 AromaticContact CE3-CD1 3.99Å; W628-F657 HydrophobicContact CE3-CD1 3.99Å; W628-F657 AromaticContact CE3-CD2 3.59Å; W628-F657 HydrophobicContact CE3-CD2 3.59Å; W628-F657 HydrophobicContact CE3-CE1 4.17Å; W628-F657 AromaticContact CE3-CE2 3.8Å; W628-F657 HydrophobicContact CE3-CE2 3.8Å; W628-F657 AromaticContact CE3-CG 3.71Å; W628-F657 HydrophobicContact CE3-CG 3.71Å; W628-F657 HydrophobicContact CE3-CZ 4.09Å; W628-F657 AromaticContact CZ3-CD2 3.79Å; W628-F657 HydrophobicContact CZ3-CD2 3.79Å; W628-F657 HydrophobicContact CZ3-CE2 4.09Å; W628-F657 HydrophobicContact CZ3-CG 4.25Å; W628-V660 HydrophobicContact CB-CG2 4.35Å; W628-V660 HydrophobicContact CD2-CG1 4.13Å; W628-V660 HydrophobicContact CG-CG1 4.39Å; W628-V660 HydrophobicContact CG-CG2 4.27Å; W628-V660 HydrophobicContact CZ2-CG1 4.25Å
629R92.9Very high92.3Very high64 Ų6479.5 Ų79.524%0.24241%0.411CS..Hα-helixtrans-61.3-45.7175.2-171.7-171.8-57.9167.86.7112.5F600 T602 E605 L625 H626 C627 K631 W632 K633F600-R629 HydrophobicContact CB-CG 4.12Å; F600-R629 HydrophobicContact CD1-CG 4.44Å; F600-R629 WeakPolarHBondContact O-CD 3.41Å; T602-R629 PolarHBondContact O-NH2 3.44Å; T602-R629 VanDerWaalsContact OG1-CZ 3.27Å; T602-R629 PolarHBondContact OG1-NE 3.06Å; T602-R629 PolarHBondContact OG1-NH2 3.37Å; E605-R629 IonicContact OE2-CZ 2.99Å; E605-R629 IonicContact OE2-NE 2.79Å; E605-R629 IonicContact OE2-NH2 3.84Å; E605-R629 PolarHBondContact OE2-NH2 3.2Å; L625-R629 WeakPolarHBondContact O-CB 3.21Å; L625-R629 PolarHBondContact O-N 3.31Å; H626-R629 PolarHBondContact O-N 3.48Å; C627-R629 PolarHBondContact O-N 3.01Å; R629-K631 PolarHBondContact O-N 3.32Å; R629-W632 PolarHBondContact O-N 2.7Å; R629-K633 WeakPolarHBondContact O-CB 3.21Å; R629-K633 PolarHBondContact O-N 3.11Å
630I93.3Very high92.3Very high73 Ų7379.9 Ų79.937%0.37440%0.401SS..Hα-helixtrans-60.3-45.8178.5-74.9177.2000110.8H626 C627 W632 K633 H634H626-I630 WeakPolarHBondContact NE2-CD1 3.26Å; H626-I630 WeakPolarHBondContact O-CG1 3.41Å; H626-I630 PolarHBondContact O-N 3.28Å; C627-I630 PolarHBondContact O-N 3Å; I630-W632 VanDerWaalsContact C-N 3.33Å; I630-W632 PolarHBondContact O-N 3.13Å; I630-K633 PolarHBondContact O-N 3.49Å; I630-H634 PolarHBondContact O-CD2 2.72Å; I630-H634 PolarHBondContact O-N 3.25Å
631K93Very high92.3Very high62 Ų6277.8 Ų77.827%0.2739%0.387SS..Hα-helixtrans-52-51.2178.3178.3-16717873.90111.3C627 W628 R629 R635 D653 F657C627-K631 WeakPolarHBondContact O-CB 3.46Å; C627-K631 PolarHBondContact O-N 3.01Å; W628-K631 HydrophobicContact CE3-CD 4.13Å; W628-K631 HydrophobicContact CZ3-CD 4.15Å; W628-K631 WeakPolarHBondContact O-CB 3.39Å; W628-K631 PolarHBondContact O-N 3.27Å; R629-K631 PolarHBondContact O-N 3.32Å; K631-R635 PolarHBondContact O-N 3.02Å; K631-D653 WeakPolarHBondContact CE-OD2 3.36Å; K631-D653 IonicContact NZ-OD2 3.74Å; K631-D653 PolarHBondContact NZ-OD2 3.23Å; K631-F657 HydrophobicContact CD-CE2 3.88Å; K631-F657 HydrophobicContact CD-CZ 4Å
632W93.9Very high92.4Very high11 Ų1177.8 Ų77.84%0.04239%0.387CS..Hα-helixtrans-78-30.2-176.7-68.3114.9000114.1P592 F600 W628 R629 I630 R635 V639 L641 P642 L651P592-W632 HydrophobicContact CB-CD2 3.69Å; P592-W632 HydrophobicContact CB-CE3 4.02Å; P592-W632 HydrophobicContact CB-CG 3.96Å; P592-W632 HydrophobicContact CB-CZ2 4.3Å; P592-W632 HydrophobicContact CB-CZ3 4.44Å; P592-W632 HydrophobicContact CG-CD2 3.8Å; P592-W632 HydrophobicContact CG-CE3 4.4Å; P592-W632 HydrophobicContact CG-CG 4.16Å; P592-W632 HydrophobicContact CG-CH2 4.28Å; P592-W632 HydrophobicContact CG-CZ2 3.66Å; F600-W632 HydrophobicContact CE1-CB 3.78Å; W628-W632 AromaticContact CD2-CD1 3.78Å; W628-W632 AromaticContact CD2-NE1 3.52Å; W628-W632 AromaticContact CE2-CD1 3.62Å; W628-W632 AromaticContact CE2-NE1 3.22Å; W628-W632 AromaticContact CE3-NE1 3.61Å; W628-W632 AromaticContact CH2-CE2 3.85Å; W628-W632 AromaticContact CH2-CZ2 3.92Å; W628-W632 HydrophobicContact CH2-CZ2 3.92Å; W628-W632 AromaticContact CH2-NE1 3.17Å; W628-W632 AromaticContact CZ2-CD1 3.89Å; W628-W632 AromaticContact CZ2-CE2 3.96Å; W628-W632 HydrophobicContact CZ2-CZ2 4.33Å; W628-W632 AromaticContact CZ2-NE1 3.04Å; W628-W632 HydrophobicContact CZ3-CZ2 4.45Å; W628-W632 AromaticContact CZ3-NE1 3.45Å; W628-W632 AromaticContact NE1-CD1 3.97Å; W628-W632 AromaticContact NE1-NE1 3.99Å; W628-W632 PolarHBondContact O-N 2.86Å; R629-W632 PolarHBondContact O-N 2.7Å; I630-W632 VanDerWaalsContact C-N 3.33Å; I630-W632 PolarHBondContact O-N 3.13Å; W632-R635 WeakPolarHBondContact O-CD 3.25Å; W632-R635 WeakPolarHBondContact O-CG 3.08Å; W632-R635 PolarHBondContact O-NH1 3.47Å; W632-V639 HydrophobicContact CZ3-CG1 4.3Å; W632-L641 HydrophobicContact CB-CD2 4.36Å; W632-L641 HydrophobicContact CD2-CD2 4.29Å; W632-L641 HydrophobicContact CE3-CD2 3.63Å; W632-L641 HydrophobicContact CZ3-CD2 4.28Å; W632-P642 HydrophobicContact CH2-CG 3.85Å; W632-P642 HydrophobicContact CZ2-CG 4.29Å; W632-P642 HydrophobicContact CZ3-CG 4.48Å; W632-L651 HydrophobicContact CH2-CD1 3.42Å; W632-L651 VanDerWaalsContact CH2-CD1 3.42Å; W632-L651 HydrophobicContact CZ2-CD1 3.34Å
633K93.6Very high92.6Very high118 Ų11875 Ų7551%0.51337%0.369SS..Hα-helixtrans-66.2-39175-175.5176.4-179178.30112.2F600 R629 I630F600-K633 HydrophobicContact CB-CD 4.33Å; F600-K633 HydrophobicContact CD1-CB 3.97Å; F600-K633 HydrophobicContact CD2-CB 4.11Å; F600-K633 HydrophobicContact CD2-CG 3.98Å; F600-K633 HydrophobicContact CE1-CB 4.23Å; F600-K633 HydrophobicContact CE2-CB 4.35Å; F600-K633 HydrophobicContact CE2-CG 4.41Å; F600-K633 HydrophobicContact CG-CB 3.92Å; F600-K633 HydrophobicContact CG-CD 4.48Å; F600-K633 HydrophobicContact CG-CG 4.13Å; F600-K633 HydrophobicContact CZ-CB 4.42Å; R629-K633 WeakPolarHBondContact O-CB 3.21Å; R629-K633 PolarHBondContact O-N 3.11Å; I630-K633 PolarHBondContact O-N 3.49Å
634H93Very high92.6Very high141 Ų14172.9 Ų72.965%0.65335%0.349SS*.THydrogen-bonded Turntrans-10316.7-177.2-66.9-77.6000113.9I630I630-H634 PolarHBondContact O-CD2 2.72Å; I630-H634 PolarHBondContact O-N 3.25Å
635R91.9Very high92.6Very high85 Ų8572.3 Ų72.332%0.32135%0.347SS..  trans-58.8153.9175.275.9-173.1-170.3-74.8-0.9111.8K631 W632 V639 L641K631-R635 PolarHBondContact O-N 3.02Å; W632-R635 WeakPolarHBondContact O-CD 3.25Å; W632-R635 WeakPolarHBondContact O-CG 3.08Å; W632-R635 PolarHBondContact O-NH1 3.47Å; R635-V639 HydrophobicContact CB-CB 4.41Å; R635-V639 HydrophobicContact CG-CB 4.47Å; R635-V639 PolarHBondContact NE-O 3.19Å; R635-V639 VanDerWaalsContact NE-O 3.08Å; R635-L641 VanDerWaalsContact CZ-CG 3.44Å
636G88.2Confident92.7Very high45 Ų4574.4 Ų74.446%0.46436%0.356SS..  trans-60.1144.7170.900000111.5E638 V639G636-E638 PolarHBondContact O-N 3.36Å; G636-E638 VanDerWaalsContact O-N 3.1Å; G636-V639 WeakPolarHBondContact O-CB 3.26Å; G636-V639 PolarHBondContact O-N 3.29Å
637K85.8Confident92.8Very high219 Ų21973 Ų7395%0.95235%0.35SS*.THydrogen-bonded Turntrans-59.1-25.4-176.8-69-176.4179.3179.30113.8V639K637-V639 VanDerWaalsContact C-N 3.33Å
638E87.8Confident92.8Very high198 Ų19869.8 Ų69.893%0.92533%0.328SS*.THydrogen-bonded Turntrans-80.4-13.8179.1-59.8-179.4-175.200112.9G636 R640G636-E638 PolarHBondContact O-N 3.36Å; G636-E638 VanDerWaalsContact O-N 3.1Å; E638-R640 PolarHBondContact O-N 2.68Å
639V89.3Confident92.9Very high73 Ų7369.9 Ų69.944%0.44233%0.329SS..  trans-82.7110-179.4-176.30000109.7W632 R635 G636 K637W632-V639 HydrophobicContact CZ3-CG1 4.3Å; R635-V639 HydrophobicContact CB-CB 4.41Å; R635-V639 HydrophobicContact CG-CB 4.47Å; R635-V639 PolarHBondContact NE-O 3.19Å; R635-V639 VanDerWaalsContact NE-O 3.08Å; G636-V639 WeakPolarHBondContact O-CB 3.26Å; G636-V639 PolarHBondContact O-N 3.29Å; K637-V639 VanDerWaalsContact C-N 3.33Å
640R93.9Very high93Very high171 Ų17171.4 Ų71.465%0.64534%0.339SS*.PPolyproline II helixtrans-61.7140.4169.7172.5177.1163.4115.1-2.7109.8E638 T643E638-R640 PolarHBondContact O-N 2.68Å; R640-T643 VanDerWaalsContact NH2-CG2 3.33Å; R640-T643 PolarHBondContact NH2-OG1 2.86Å
641L94.6Very high92.9Very high23 Ų2370.1 Ų70.112%0.1233%0.332CS..PPolyproline II helixtrans-78.3127.3170.2-68.3168.9000109.2P592 A593 W632 R635 T643P592-L641 HydrophobicContact CB-CB 4.24Å; P592-L641 HydrophobicContact CB-CD2 3.7Å; A593-L641 HydrophobicContact CB-CB 4.21Å; W632-L641 HydrophobicContact CB-CD2 4.36Å; W632-L641 HydrophobicContact CD2-CD2 4.29Å; W632-L641 HydrophobicContact CE3-CD2 3.63Å; W632-L641 HydrophobicContact CZ3-CD2 4.28Å; R635-L641 VanDerWaalsContact CZ-CG 3.44Å; L641-T643 PolarHBondContact O-N 3.19Å
642P95.3Very high92.8Very high9 Ų971.9 Ų71.96%0.05835%0.35CS..PPolyproline II helixtrans-52.3131.8167.9-24.828.6000111.7P592 A593 W632 E647 T648 L651P592-P642 HydrophobicContact CB-CG 4.41Å; P592-P642 HydrophobicContact CG-CB 4.28Å; P592-P642 HydrophobicContact CG-CG 4.03Å; A593-P642 WeakPolarHBondContact CB-O 3.33Å; A593-P642 PolarHBondContact N-O 3.34Å; W632-P642 HydrophobicContact CH2-CG 3.85Å; W632-P642 HydrophobicContact CZ2-CG 4.29Å; W632-P642 HydrophobicContact CZ3-CG 4.48Å; P642-E647 VanDerWaalsContact CA-OE2 3.31Å; P642-E647 WeakPolarHBondContact CA-OE2 3.27Å; P642-E647 HydrophobicContact CB-CB 3.86Å; P642-T648 WeakPolarHBondContact CB-OG1 3.46Å; P642-L651 HydrophobicContact CG-CD1 3.68Å; P642-L651 HydrophobicContact CG-CG 4.37Å
643T94.8Very high92.6Very high25 Ų2574.5 Ų74.515%0.15337%0.365CS..  trans-95.4-21-17751.70000113.5T487 A593 R640 L641 E647T487-T643 WeakPolarHBondContact CB-O 3.33Å; A593-T643 HydrophobicContact CB-CG2 3.83Å; R640-T643 VanDerWaalsContact NH2-CG2 3.33Å; R640-T643 PolarHBondContact NH2-OG1 2.86Å; L641-T643 PolarHBondContact O-N 3.19Å; T643-E647 PolarHBondContact N-OE2 2.95Å; T643-E647 PolarHBondContact OG1-OE2 2.95Å
644T94.3Very high92.5Very high16 Ų1668.9 Ų68.910%0.09834%0.341CS..SBendtrans-119.8162.6179.5770000112.5H646 E647 T648 E676T644-H646 VanDerWaalsContact C-N 3.27Å; T644-H646 PolarHBondContact O-N 2.72Å; T644-H646 PolarHBondContact OG1-N 3.43Å; T644-E647 PolarHBondContact OG1-N 2.94Å; T644-T648 PolarHBondContact O-N 2.88Å; T644-T648 VanDerWaalsContact O-N 3.11Å; T644-T648 PolarHBondContact O-OG1 2.82Å; T644-E676 PolarHBondContact OG1-OE1 3.32Å
645I95.2Very high92.4Very high6 Ų670 Ų703%0.03134%0.343CS..Hα-helixtrans-59.3-43169.9-63.9170.8000110L588 V591 T648 L649 L664 L667 L673L588-I645 HydrophobicContact CD2-CD1 3.75Å; L588-I645 HydrophobicContact CD2-CG1 4.42Å; V591-I645 HydrophobicContact CG2-CG1 3.71Å; I645-T648 WeakPolarHBondContact O-CB 3.39Å; I645-T648 PolarHBondContact O-N 3.02Å; I645-T648 VanDerWaalsContact O-N 3.16Å; I645-L649 HydrophobicContact CG2-CD1 3.73Å; I645-L649 HydrophobicContact CG2-CG 4.08Å; I645-L649 WeakPolarHBondContact O-CG 3.41Å; I645-L649 PolarHBondContact O-N 3.38Å; I645-L664 HydrophobicContact CG1-CD2 4.4Å; I645-L664 HydrophobicContact CG2-CB 4.14Å; I645-L664 HydrophobicContact CG2-CD2 4.35Å; I645-L667 HydrophobicContact CD1-CB 4.17Å; I645-L673 HydrophobicContact CD1-CD1 3.69Å
646H94.2Very high92.5Very high51 Ų5173.2 Ų73.224%0.23636%0.36CS..Hα-helixtrans-58.6-53.4179.1177.961.5000111.2N270 T644 T648 L649 Q650 E676N270-H646 PolarHBondContact O-ND1 3Å; N270-H646 VanDerWaalsContact O-ND1 3.09Å; T644-H646 VanDerWaalsContact C-N 3.27Å; T644-H646 PolarHBondContact O-N 2.72Å; T644-H646 PolarHBondContact OG1-N 3.43Å; H646-T648 PolarHBondContact O-N 3.22Å; H646-L649 PolarHBondContact O-N 2.88Å; H646-L649 VanDerWaalsContact O-N 3.1Å; H646-Q650 PolarHBondContact CE1-NE2 2.85Å; H646-Q650 VanDerWaalsContact CE1-NE2 3.26Å; H646-Q650 WeakPolarHBondContact O-CG 3.41Å; H646-Q650 PolarHBondContact O-N 3.1Å; H646-E676 IonicContact CD2-OE2 3.43Å; H646-E676 PolarHBondContact CD2-OE2 3.4Å; H646-E676 IonicContact CG-OE2 3.48Å
647E94.7Very high92.9Very high75 Ų7572.2 Ų72.235%0.3534%0.343SS..Hα-helixtrans-55.6-37.7176.5-72-174.5173.800112P642 T643 T644 Q650P642-E647 VanDerWaalsContact CA-OE2 3.31Å; P642-E647 WeakPolarHBondContact CA-OE2 3.27Å; P642-E647 HydrophobicContact CB-CB 3.86Å; T643-E647 PolarHBondContact N-OE2 2.95Å; T643-E647 PolarHBondContact OG1-OE2 2.95Å; T644-E647 PolarHBondContact OG1-N 2.94Å; E647-Q650 PolarHBondContact O-N 3.42Å
648T95.7Very high93.3Very high0 Ų064 Ų640%031%0.312CS..Hα-helixtrans-67.4-43.7178.8-53.90000111.9P592 W628 P642 T644 I645 H646 Q650 L651 L664P592-T648 VanDerWaalsContact CD-OG1 3.28Å; P592-T648 WeakPolarHBondContact CD-OG1 3.44Å; P592-T648 HydrophobicContact CG-CG2 4.22Å; W628-T648 HydrophobicContact CH2-CG2 3.91Å; W628-T648 HydrophobicContact CZ2-CG2 3.64Å; P642-T648 WeakPolarHBondContact CB-OG1 3.46Å; T644-T648 PolarHBondContact O-N 2.88Å; T644-T648 VanDerWaalsContact O-N 3.11Å; T644-T648 PolarHBondContact O-OG1 2.82Å; I645-T648 WeakPolarHBondContact O-CB 3.39Å; I645-T648 PolarHBondContact O-N 3.02Å; I645-T648 VanDerWaalsContact O-N 3.16Å; H646-T648 PolarHBondContact O-N 3.22Å; T648-Q650 VanDerWaalsContact C-N 3.28Å; T648-Q650 PolarHBondContact O-N 3.22Å; T648-L651 WeakPolarHBondContact O-CB 3.35Å; T648-L651 WeakPolarHBondContact O-CG 3.46Å; T648-L651 PolarHBondContact O-N 3.29Å; T648-L664 HydrophobicContact CG2-CD1 3.57Å
649L95.3Very high93.7Very high3 Ų354.6 Ų54.62%0.01627%0.268CS..Hα-helixtrans-71.2-20.6179.1-70.2174000113.1V266 N270 I645 H646 L651 L664 K665V266-L649 HydrophobicContact CG1-CD1 4.5Å; N270-L649 HydrophobicContact CB-CB 3.78Å; N270-L649 HydrophobicContact CB-CD1 4.42Å; N270-L649 PolarHBondContact ND2-O 3.17Å; I645-L649 HydrophobicContact CG2-CD1 3.73Å; I645-L649 HydrophobicContact CG2-CG 4.08Å; I645-L649 WeakPolarHBondContact O-CG 3.41Å; I645-L649 PolarHBondContact O-N 3.38Å; H646-L649 PolarHBondContact O-N 2.88Å; H646-L649 VanDerWaalsContact O-N 3.1Å; L649-L651 VanDerWaalsContact C-N 3.25Å; L649-L651 PolarHBondContact O-N 3.39Å; L649-L664 HydrophobicContact CD2-CB 3.71Å; L649-L664 HydrophobicContact CD2-CD1 4.23Å; L649-L664 HydrophobicContact CG-CB 4.2Å; L649-K665 HydrophobicContact CD1-CG 4.16Å; L649-K665 HydrophobicContact CD2-CG 4.19Å
650Q94.8Very high94Very high96 Ų9651.1 Ų51.145%0.44925%0.247SC..THydrogen-bonded Turntrans-76.6-11.4174.3-66.7-53.6-46.100113.2Q269 N270 H646 E647 T648Q269-Q650 PolarHBondContact O-NE2 3.2Å; N270-Q650 PolarHBondContact O-NE2 3.34Å; H646-Q650 PolarHBondContact CE1-NE2 2.85Å; H646-Q650 VanDerWaalsContact CE1-NE2 3.26Å; H646-Q650 WeakPolarHBondContact O-CG 3.41Å; H646-Q650 PolarHBondContact O-N 3.1Å; E647-Q650 PolarHBondContact O-N 3.42Å; T648-Q650 VanDerWaalsContact C-N 3.28Å; T648-Q650 PolarHBondContact O-N 3.22Å
651L92.7Very high94Very high45 Ų4544.2 Ų44.224%0.23622%0.223CC..  trans-70.9133-179.7-63.6176.2000111.7W632 P642 T648 L649 D653 V654W632-L651 HydrophobicContact CH2-CD1 3.42Å; W632-L651 VanDerWaalsContact CH2-CD1 3.42Å; W632-L651 HydrophobicContact CZ2-CD1 3.34Å; P642-L651 HydrophobicContact CG-CD1 3.68Å; P642-L651 HydrophobicContact CG-CG 4.37Å; T648-L651 WeakPolarHBondContact O-CB 3.35Å; T648-L651 WeakPolarHBondContact O-CG 3.46Å; T648-L651 PolarHBondContact O-N 3.29Å; L649-L651 VanDerWaalsContact C-N 3.25Å; L649-L651 PolarHBondContact O-N 3.39Å; L651-D653 PolarHBondContact O-N 3.27Å; L651-D653 VanDerWaalsContact O-N 3.12Å; L651-V654 VanDerWaalsContact O-CG1 3.24Å; L651-V654 WeakPolarHBondContact O-CG1 3.38Å; L651-V654 PolarHBondContact O-N 2.97Å
652P90.2Very high94Very high99 Ų9943.8 Ų43.864%0.64322%0.223SC*.G310 helixtrans-56.4-34174.9-24.933.6000112.8V654P652-V654 VanDerWaalsContact C-N 3.29Å; P652-V654 PolarHBondContact O-N 2.8Å
653D89.3Confident94Very high66 Ų6643.4 Ų43.435%0.35322%0.22SC..G310 helixtrans-72.1-20.1-174.5-66.7-23.5000113.9K631 L651 K655 F656 F657K631-D653 WeakPolarHBondContact CE-OD2 3.36Å; K631-D653 IonicContact NZ-OD2 3.74Å; K631-D653 PolarHBondContact NZ-OD2 3.23Å; L651-D653 PolarHBondContact O-N 3.27Å; L651-D653 VanDerWaalsContact O-N 3.12Å; D653-K655 PolarHBondContact O-N 3.43Å; D653-F656 HydrophobicContact CB-CD2 4.34Å; D653-F656 WeakPolarHBondContact O-CB 3.42Å; D653-F656 WeakPolarHBondContact O-CD2 3.4Å; D653-F656 PolarHBondContact O-N 3.42Å; D653-F657 WeakPolarHBondContact O-CD2 3.39Å
654V92.3Very high94Very high1 Ų142.2 Ų42.21%0.00621%0.213CC..G310 helixtrans-61.2-27.7-179.281.60000111.2W628 L651 P652 F656 F657 D661 L664W628-V654 HydrophobicContact CH2-CG2 4.4Å; L651-V654 VanDerWaalsContact O-CG1 3.24Å; L651-V654 WeakPolarHBondContact O-CG1 3.38Å; L651-V654 PolarHBondContact O-N 2.97Å; P652-V654 VanDerWaalsContact C-N 3.29Å; P652-V654 PolarHBondContact O-N 2.8Å; V654-F656 PolarHBondContact O-N 2.98Å; V654-F656 VanDerWaalsContact O-N 3.17Å; V654-F657 CarbonylContact O-C 3.58Å; V654-F657 WeakPolarHBondContact O-CA 3.26Å; V654-F657 PolarHBondContact O-N 3.37Å; V654-D661 HydrophobicContact CG2-CB 4.11Å; V654-L664 HydrophobicContact CG2-CD1 4.49Å
655K90.2Very high94.1Very high163 Ų16344.3 Ų44.371%0.70922%0.221SC*.G310 helixtrans-63.7-20.4177.5-59.7-177.1-179.6-178.70113.6D653 F657D653-K655 PolarHBondContact O-N 3.43Å; K655-F657 VanDerWaalsContact C-N 3.26Å
656F94.2Very high94.1Very high154 Ų15444.1 Ų44.168%0.67522%0.22SC*.G310 helixtrans-81.8-7.4173.4-57.5-65.4000113D653 V654 P658D653-F656 HydrophobicContact CB-CD2 4.34Å; D653-F656 WeakPolarHBondContact O-CB 3.42Å; D653-F656 WeakPolarHBondContact O-CD2 3.4Å; D653-F656 PolarHBondContact O-N 3.42Å; V654-F656 PolarHBondContact O-N 2.98Å; V654-F656 VanDerWaalsContact O-N 3.17Å; F656-P658 WeakPolarHBondContact O-CD 3.49Å
657F96.1Very high94.1Very high23 Ų2341.8 Ų41.810%0.10121%0.209CC..  trans-121.773.6178.3-57-93.7000108.5E624 C627 W628 K631 D653 V654 K655 N659 V660 D661E624-F657 HydrophobicContact CG-CB 4.05Å; E624-F657 HydrophobicContact CG-CD1 3.7Å; E624-F657 HydrophobicContact CG-CG 4.35Å; E624-F657 WeakPolarHBondContact OE1-CA 3.18Å; E624-F657 VanDerWaalsContact OE1-CB 3.32Å; E624-F657 WeakPolarHBondContact OE1-CB 3.44Å; E624-F657 VanDerWaalsContact OE1-O 3.12Å; C627-F657 HydrophobicContact CB-CE1 3.76Å; W628-F657 HydrophobicContact CB-CD1 3.99Å; W628-F657 HydrophobicContact CB-CE1 4.04Å; W628-F657 HydrophobicContact CE3-CB 4.35Å; W628-F657 AromaticContact CE3-CD1 3.99Å; W628-F657 HydrophobicContact CE3-CD1 3.99Å; W628-F657 AromaticContact CE3-CD2 3.59Å; W628-F657 HydrophobicContact CE3-CD2 3.59Å; W628-F657 HydrophobicContact CE3-CE1 4.17Å; W628-F657 AromaticContact CE3-CE2 3.8Å; W628-F657 HydrophobicContact CE3-CE2 3.8Å; W628-F657 AromaticContact CE3-CG 3.71Å; W628-F657 HydrophobicContact CE3-CG 3.71Å; W628-F657 HydrophobicContact CE3-CZ 4.09Å; W628-F657 AromaticContact CZ3-CD2 3.79Å; W628-F657 HydrophobicContact CZ3-CD2 3.79Å; W628-F657 HydrophobicContact CZ3-CE2 4.09Å; W628-F657 HydrophobicContact CZ3-CG 4.25Å; K631-F657 HydrophobicContact CD-CE2 3.88Å; K631-F657 HydrophobicContact CD-CZ 4Å; D653-F657 WeakPolarHBondContact O-CD2 3.39Å; V654-F657 CarbonylContact O-C 3.58Å; V654-F657 WeakPolarHBondContact O-CA 3.26Å; V654-F657 PolarHBondContact O-N 3.37Å; K655-F657 VanDerWaalsContact C-N 3.26Å; F657-N659 VanDerWaalsContact C-N 3.33Å; F657-N659 PolarHBondContact O-N 2.76Å; F657-V660 HydrophobicContact CB-CB 3.84Å; F657-V660 HydrophobicContact CB-CG2 4.07Å; F657-V660 PolarHBondContact O-N 2.98Å; F657-D661 WeakPolarHBondContact O-CB 3.26Å; F657-D661 PolarHBondContact O-N 3.36Å
658P95.5Very high94.1Very high48 Ų4838.6 Ų38.631%0.31220%0.195SC..Hα-helixtrans-64.6-30.5-172.126.5-35.6000114.3E624 F656 A662E624-P658 VanDerWaalsContact OE1-N 3.12Å; F656-P658 WeakPolarHBondContact O-CD 3.49Å; P658-A662 VanDerWaalsContact O-CB 3.3Å; P658-A662 WeakPolarHBondContact O-CB 3.31Å; P658-A662 PolarHBondContact O-N 2.89Å; P658-A662 VanDerWaalsContact O-N 3.1Å
659N95.4Very high94.1Very high0 Ų038.6 Ų38.60%020%0.195CC..Hα-helixtrans-74.8-40.6174.6-63.4-47.9000111.1L615 N617 T620 L621 E624 F657 A662 F663L615-N659 WeakPolarHBondContact CB-OD1 3.22Å; L615-N659 HydrophobicContact CD1-CB 4.42Å; N617-N659 VanDerWaalsContact C-OD1 3.29Å; N617-N659 WeakPolarHBondContact CA-OD1 3.43Å; N617-N659 PolarHBondContact N-OD1 3.32Å; N617-N659 PolarHBondContact O-ND2 2.96Å; N617-N659 PolarHBondContact O-OD1 3.01Å; T620-N659 PolarHBondContact OG1-ND2 3.33Å; T620-N659 VanDerWaalsContact OG1-ND2 3.11Å; L621-N659 HydrophobicContact CD1-CB 3.83Å; E624-N659 WeakPolarHBondContact OE1-CA 3.49Å; E624-N659 WeakPolarHBondContact OE1-CB 3.4Å; E624-N659 PolarHBondContact OE1-N 3.42Å; E624-N659 WeakPolarHBondContact OE2-CB 3.33Å; E624-N659 VanDerWaalsContact OE2-CG 3.32Å; E624-N659 PolarHBondContact OE2-N 3.36Å; E624-N659 PolarHBondContact OE2-ND2 2.84Å; F657-N659 VanDerWaalsContact C-N 3.33Å; F657-N659 PolarHBondContact O-N 2.76Å; N659-A662 PolarHBondContact O-N 3.04Å; N659-F663 WeakPolarHBondContact O-CB 3.31Å; N659-F663 PolarHBondContact O-N 3.16Å
660V94.9Very high94.1Very high0 Ų038.6 Ų38.60%020%0.195CC..Hα-helixtrans-63.7-44.4175.5177.70000110.5E624 L625 W628 F657 F663 L664E624-V660 HydrophobicContact CG-CG2 4.23Å; E624-V660 PolarHBondContact OE1-N 3.1Å; L625-V660 HydrophobicContact CD2-CG2 4.11Å; W628-V660 HydrophobicContact CB-CG2 4.35Å; W628-V660 HydrophobicContact CD2-CG1 4.13Å; W628-V660 HydrophobicContact CG-CG1 4.39Å; W628-V660 HydrophobicContact CG-CG2 4.27Å; W628-V660 HydrophobicContact CZ2-CG1 4.25Å; F657-V660 HydrophobicContact CB-CB 3.84Å; F657-V660 HydrophobicContact CB-CG2 4.07Å; F657-V660 PolarHBondContact O-N 2.98Å; V660-F663 PolarHBondContact O-N 3.28Å; V660-L664 HydrophobicContact CG1-CD1 3.83Å; V660-L664 HydrophobicContact CG1-CG 4.18Å; V660-L664 VanDerWaalsContact O-CB 3.31Å; V660-L664 WeakPolarHBondContact O-CB 3.46Å; V660-L664 VanDerWaalsContact O-CG 3.24Å; V660-L664 WeakPolarHBondContact O-CG 3.46Å; V660-L664 PolarHBondContact O-N 3.11Å
661D95.1Very high94Very high26 Ų2634 Ų3414%0.13917%0.174CC..Hα-helixtrans-57.4-52.9175.2179.172.8000111.6V654 F657 F663 L664 K665V654-D661 HydrophobicContact CG2-CB 4.11Å; F657-D661 WeakPolarHBondContact O-CB 3.26Å; F657-D661 PolarHBondContact O-N 3.36Å; D661-F663 VanDerWaalsContact C-N 3.31Å; D661-F663 PolarHBondContact O-N 2.98Å; D661-L664 PolarHBondContact O-N 2.69Å; D661-K665 WeakPolarHBondContact O-CG 3.49Å; D661-K665 PolarHBondContact O-N 3.44Å; D661-K665 VanDerWaalsContact O-N 3.09Å; D661-K665 IonicContact OD1-NZ 3.52Å; D661-K665 WeakPolarHBondContact OD2-CE 3.29Å; D661-K665 IonicContact OD2-NZ 2.62Å; D661-K665 PolarHBondContact OD2-NZ 3.38Å
662A94.7Very high94.1Very high14 Ų1432.1 Ų32.112%0.11616%0.164CC..Hα-helixtrans-60.7-41.8179.400000111.9P616 P658 N659 K665 V666P616-A662 VanDerWaalsContact CD-CB 3.5Å; P616-A662 HydrophobicContact CG-CB 3.94Å; P658-A662 VanDerWaalsContact O-CB 3.3Å; P658-A662 WeakPolarHBondContact O-CB 3.31Å; P658-A662 PolarHBondContact O-N 2.89Å; P658-A662 VanDerWaalsContact O-N 3.1Å; N659-A662 PolarHBondContact O-N 3.04Å; A662-K665 WeakPolarHBondContact O-CB 3.39Å; A662-K665 PolarHBondContact O-N 3.3Å; A662-V666 PolarHBondContact O-N 3.12Å; A662-V666 VanDerWaalsContact O-N 3.09Å
663F94.9Very high94.3Very high1 Ų128 Ų280%0.00414%0.136CC..Hα-helixtrans-73.5-37.9-177.8-170.2-131.1000112.9C587 L590 A608 Y611 L615 N659 V660 D661 K665 V666 L667C587-F663 HydrophobicContact CB-CE1 3.64Å; C587-F663 HydrophobicContact CB-CZ 3.71Å; L590-F663 HydrophobicContact CD1-CD1 3.24Å; L590-F663 HydrophobicContact CD1-CE1 3.47Å; L590-F663 VanDerWaalsContact CD1-CE1 3.47Å; L590-F663 HydrophobicContact CD1-CG 4.49Å; A608-F663 HydrophobicContact CB-CD1 3.84Å; A608-F663 HydrophobicContact CB-CE1 3.36Å; A608-F663 HydrophobicContact CB-CE2 4.44Å; A608-F663 HydrophobicContact CB-CZ 3.73Å; Y611-F663 HydrophobicContact CD1-CE2 4.28Å; Y611-F663 HydrophobicContact CD2-CD2 4.37Å; Y611-F663 AromaticContact CD2-CE2 3.32Å; Y611-F663 HydrophobicContact CD2-CE2 3.32Å; Y611-F663 AromaticContact CD2-CZ 3.81Å; Y611-F663 HydrophobicContact CD2-CZ 3.81Å; Y611-F663 AromaticContact CE2-CE2 3.93Å; Y611-F663 HydrophobicContact CE2-CE2 3.93Å; Y611-F663 HydrophobicContact CE2-CZ 4.22Å; Y611-F663 HydrophobicContact CG-CD2 4.18Å; Y611-F663 AromaticContact CG-CE2 3.51Å; Y611-F663 HydrophobicContact CG-CE2 3.51Å; Y611-F663 HydrophobicContact CG-CZ 4.42Å; L615-F663 HydrophobicContact CD2-CB 3.78Å; L615-F663 HydrophobicContact CD2-CD2 4.44Å; L615-F663 HydrophobicContact CD2-CG 4.36Å; N659-F663 WeakPolarHBondContact O-CB 3.31Å; N659-F663 PolarHBondContact O-N 3.16Å; V660-F663 PolarHBondContact O-N 3.28Å; D661-F663 VanDerWaalsContact C-N 3.31Å; D661-F663 PolarHBondContact O-N 2.98Å; F663-K665 PolarHBondContact O-N 3.09Å; F663-V666 HydrophobicContact CD2-CB 4.36Å; F663-V666 WeakPolarHBondContact O-CB 3.39Å; F663-V666 PolarHBondContact O-N 3.37Å; F663-V666 VanDerWaalsContact O-N 3.17Å; F663-L667 HydrophobicContact CD1-CD1 4.05Å; F663-L667 HydrophobicContact CD1-CG 4.48Å; F663-L667 HydrophobicContact CD2-CG 4.49Å; F663-L667 HydrophobicContact CE1-CD1 3.75Å; F663-L667 HydrophobicContact CE1-CD2 4.42Å; F663-L667 HydrophobicContact CE1-CG 4.16Å; F663-L667 HydrophobicContact CE2-CD2 4.17Å; F663-L667 HydrophobicContact CE2-CG 4.13Å; F663-L667 HydrophobicContact CZ-CD1 4.04Å; F663-L667 HydrophobicContact CZ-CD2 3.86Å; F663-L667 HydrophobicContact CZ-CG 3.96Å; F663-L667 WeakPolarHBondContact O-CG 3.17Å; F663-L667 PolarHBondContact O-N 3.31Å
664L95.4Very high94.3Very high0 Ų030.7 Ų30.70%015%0.145CC..Hα-helixtrans-60.7-35.9171.8-75.9175.6000111.5L590 V591 I645 T648 L649 V654 V660 D661 L667 S668L590-L664 HydrophobicContact CB-CD2 4.17Å; V591-L664 HydrophobicContact CG2-CD2 4.25Å; I645-L664 HydrophobicContact CG1-CD2 4.4Å; I645-L664 HydrophobicContact CG2-CB 4.14Å; I645-L664 HydrophobicContact CG2-CD2 4.35Å; T648-L664 HydrophobicContact CG2-CD1 3.57Å; L649-L664 HydrophobicContact CD2-CB 3.71Å; L649-L664 HydrophobicContact CD2-CD1 4.23Å; L649-L664 HydrophobicContact CG-CB 4.2Å; V654-L664 HydrophobicContact CG2-CD1 4.49Å; V660-L664 HydrophobicContact CG1-CD1 3.83Å; V660-L664 HydrophobicContact CG1-CG 4.18Å; V660-L664 VanDerWaalsContact O-CB 3.31Å; V660-L664 WeakPolarHBondContact O-CB 3.46Å; V660-L664 VanDerWaalsContact O-CG 3.24Å; V660-L664 WeakPolarHBondContact O-CG 3.46Å; V660-L664 PolarHBondContact O-N 3.11Å; D661-L664 PolarHBondContact O-N 2.69Å; L664-L667 PolarHBondContact O-N 3.48Å; L664-S668 WeakPolarHBondContact O-CB 3.29Å; L664-S668 PolarHBondContact O-N 3.44Å
665K95.4Very high94Very high60 Ų6031.7 Ų31.726%0.26115%0.151SC..Hα-helixtrans-62.9-47.2172.1-72.7167174.4164.40111.7V266 N270 L649 D661 A662 F663 L667 S668 T669V266-K665 HydrophobicContact CB-CG 4.41Å; V266-K665 HydrophobicContact CG1-CG 4.14Å; N270-K665 WeakPolarHBondContact OD1-CE 3.42Å; N270-K665 PolarHBondContact OD1-NZ 3.25Å; L649-K665 HydrophobicContact CD1-CG 4.16Å; L649-K665 HydrophobicContact CD2-CG 4.19Å; D661-K665 WeakPolarHBondContact O-CG 3.49Å; D661-K665 PolarHBondContact O-N 3.44Å; D661-K665 VanDerWaalsContact O-N 3.09Å; D661-K665 IonicContact OD1-NZ 3.52Å; D661-K665 WeakPolarHBondContact OD2-CE 3.29Å; D661-K665 IonicContact OD2-NZ 2.62Å; D661-K665 PolarHBondContact OD2-NZ 3.38Å; A662-K665 WeakPolarHBondContact O-CB 3.39Å; A662-K665 PolarHBondContact O-N 3.3Å; F663-K665 PolarHBondContact O-N 3.09Å; K665-L667 PolarHBondContact O-N 3.24Å; K665-S668 WeakPolarHBondContact O-CB 3.27Å; K665-S668 PolarHBondContact O-N 2.91Å; K665-T669 WeakPolarHBondContact O-CG2 3.39Å; K665-T669 PolarHBondContact O-N 3.19Å
666V95.3Very high93.2Very high1 Ų128.6 Ų28.61%0.00614%0.139CC..Hα-helixtrans-56.7-51.1174.3170.80000110.9F242 R310 Y611 D614 A662 F663 S668 T669F242-V666 HydrophobicContact CB-CG2 4.5Å; F242-V666 HydrophobicContact CD1-CG2 4.47Å; F242-V666 HydrophobicContact CD2-CG2 3.46Å; F242-V666 VanDerWaalsContact CD2-CG2 3.46Å; F242-V666 HydrophobicContact CE2-CG2 3.66Å; F242-V666 HydrophobicContact CG-CG2 3.9Å; F242-V666 HydrophobicContact CZ-CG2 4.26Å; R310-V666 HydrophobicContact CB-CG1 4.29Å; R310-V666 HydrophobicContact CG-CG1 3.98Å; Y611-V666 HydrophobicContact CD1-CG1 3.92Å; Y611-V666 HydrophobicContact CE1-CG1 3.99Å; D614-V666 HydrophobicContact CB-CG2 4.35Å; A662-V666 PolarHBondContact O-N 3.12Å; A662-V666 VanDerWaalsContact O-N 3.09Å; F663-V666 HydrophobicContact CD2-CB 4.36Å; F663-V666 WeakPolarHBondContact O-CB 3.39Å; F663-V666 PolarHBondContact O-N 3.37Å; F663-V666 VanDerWaalsContact O-N 3.17Å; V666-S668 VanDerWaalsContact C-N 3.3Å; V666-S668 PolarHBondContact O-N 3.47Å; V666-T669 PolarHBondContact O-N 3.18Å; V666-T669 VanDerWaalsContact O-N 3.14Å; V666-T669 PolarHBondContact O-OG1 3.45Å
667L94.8Very high91.7Very high2 Ų227.4 Ų27.41%0.0113%0.133CC..Hα-helixtrans-59.8-39.2179.6-69.6174.8000112.6A584 C587 L590 I645 F663 L664 K665 T669 M670 L673A584-L667 WeakPolarHBondContact O-CD2 3.36Å; C587-L667 HydrophobicContact CB-CD1 3.78Å; C587-L667 HydrophobicContact CB-CD2 3.81Å; C587-L667 HydrophobicContact CB-CG 4.42Å; L590-L667 HydrophobicContact CD1-CD1 4.42Å; I645-L667 HydrophobicContact CD1-CB 4.17Å; F663-L667 HydrophobicContact CD1-CD1 4.05Å; F663-L667 HydrophobicContact CD1-CG 4.48Å; F663-L667 HydrophobicContact CD2-CG 4.49Å; F663-L667 HydrophobicContact CE1-CD1 3.75Å; F663-L667 HydrophobicContact CE1-CD2 4.42Å; F663-L667 HydrophobicContact CE1-CG 4.16Å; F663-L667 HydrophobicContact CE2-CD2 4.17Å; F663-L667 HydrophobicContact CE2-CG 4.13Å; F663-L667 HydrophobicContact CZ-CD1 4.04Å; F663-L667 HydrophobicContact CZ-CD2 3.86Å; F663-L667 HydrophobicContact CZ-CG 3.96Å; F663-L667 WeakPolarHBondContact O-CG 3.17Å; F663-L667 PolarHBondContact O-N 3.31Å; L664-L667 PolarHBondContact O-N 3.48Å; K665-L667 PolarHBondContact O-N 3.24Å; L667-T669 PolarHBondContact O-N 2.94Å; L667-M670 VanDerWaalsContact O-CB 3.25Å; L667-M670 WeakPolarHBondContact O-CB 3.33Å; L667-M670 WeakPolarHBondContact O-CG 3.38Å; L667-M670 PolarHBondContact O-N 3.26Å; L667-M670 VanDerWaalsContact O-N 3.08Å; L667-L673 WeakPolarHBondContact O-CD1 3.46Å
668S94.6Very high89.9Confident8 Ų829.1 Ų29.16%0.05616%0.158CC..Hα-helixtrans-60-31.2179-166.60000113R264 L272 L664 K665 V666 M670R264-S668 PolarHBondContact NH2-O 2.91Å; R264-S668 VanDerWaalsContact NH2-O 3.13Å; L272-S668 WeakPolarHBondContact CD1-O 3.4Å; L664-S668 WeakPolarHBondContact O-CB 3.29Å; L664-S668 PolarHBondContact O-N 3.44Å; K665-S668 WeakPolarHBondContact O-CB 3.27Å; K665-S668 PolarHBondContact O-N 2.91Å; V666-S668 VanDerWaalsContact C-N 3.3Å; V666-S668 PolarHBondContact O-N 3.47Å; S668-M670 PolarHBondContact O-N 3.47Å
669T95.1Very high87.7Confident1 Ų134.9 Ų34.91%0.00619%0.192CC..THydrogen-bonded Turntrans-71.3-10.6178.368.50000113.8S244 R264 V266 K665 V666 L667S244-T669 WeakPolarHBondContact CB-O 3.49Å; S244-T669 PolarHBondContact OG-O 3.43Å; R264-T669 WeakPolarHBondContact CD-O 3.44Å; R264-T669 PolarHBondContact NE-O 3.28Å; V266-T669 HydrophobicContact CG2-CG2 4.25Å; K665-T669 WeakPolarHBondContact O-CG2 3.39Å; K665-T669 PolarHBondContact O-N 3.19Å; V666-T669 PolarHBondContact O-N 3.18Å; V666-T669 VanDerWaalsContact O-N 3.14Å; V666-T669 PolarHBondContact O-OG1 3.45Å; L667-T669 PolarHBondContact O-N 2.94Å
670M94.5Very high86.2Confident2 Ų237.3 Ų37.31%0.0122%0.217CC..  trans-59.8124.3-178.3-67.3-68.2169.100111.4R264 L339 M341 A584 Y611 L667 S668 V672 L673R264-M670 PolarHBondContact NH2-O 2.92Å; L339-M670 HydrophobicContact CD1-CE 4.06Å; L339-M670 HydrophobicContact CD1-SD 4.21Å; M341-M670 HydrophobicContact CE-SD 3.79Å; M341-M670 HydrophobicContact SD-CB 4.16Å; M341-M670 HydrophobicContact SD-SD 4.02Å; A584-M670 HydrophobicContact CB-CE 4.17Å; Y611-M670 HydrophobicContact CE1-CE 4.4Å; Y611-M670 WeakPolarHBondContact OH-CE 3.17Å; L667-M670 VanDerWaalsContact O-CB 3.25Å; L667-M670 WeakPolarHBondContact O-CB 3.33Å; L667-M670 WeakPolarHBondContact O-CG 3.38Å; L667-M670 PolarHBondContact O-N 3.26Å; L667-M670 VanDerWaalsContact O-N 3.08Å; S668-M670 PolarHBondContact O-N 3.47Å; M670-V672 PolarHBondContact O-N 2.92Å; M670-V672 VanDerWaalsContact O-N 3.09Å; M670-L673 HydrophobicContact CB-CD1 4.24Å; M670-L673 HydrophobicContact CB-CG 4.19Å; M670-L673 PolarHBondContact O-N 3.49Å
671P94.4Very high85.4Confident1 Ų142.8 Ų42.81%0.00624%0.243CC..THydrogen-bonded Turntrans-60.7-24.4-171.3-27.734.3000116.3V246 R264 A313 M341 P342 S344 L673V246-P671 HydrophobicContact CG2-CB 4.43Å; R264-P671 PolarHBondContact NH1-O 2.86Å; A313-P671 HydrophobicContact CB-CB 3.38Å; A313-P671 HydrophobicContact CB-CG 3.93Å; M341-P671 HydrophobicContact CB-CB 4.4Å; P342-P671 CarbonylContact O-C 3.4Å; S344-P671 WeakPolarHBondContact CB-O 3.15Å; S344-P671 PolarHBondContact N-O 3.49Å; S344-P671 PolarHBondContact OG-O 2.85Å; P671-L673 VanDerWaalsContact C-N 3.35Å
672V94Very high85.1Confident5 Ų543.2 Ų43.23%0.0325%0.247CC..THydrogen-bonded Turntrans-72-28178.365.10000112.9M341 P342 S344 L483 L585 M670M341-V672 HydrophobicContact CB-CB 4.31Å; M341-V672 HydrophobicContact SD-CB 4.26Å; M341-V672 HydrophobicContact SD-CG1 3.59Å; M341-V672 VanDerWaalsContact SD-CG1 3.59Å; P342-V672 HydrophobicContact CG-CB 4.28Å; P342-V672 HydrophobicContact CG-CG2 3.91Å; P342-V672 VanDerWaalsContact O-CA 3.28Å; P342-V672 WeakPolarHBondContact O-CA 3.29Å; P342-V672 PolarHBondContact O-N 3.45Å; S344-V672 WeakPolarHBondContact CB-O 3.46Å; L483-V672 HydrophobicContact CB-CG2 4.12Å; L483-V672 HydrophobicContact CD2-CG2 4.21Å; L585-V672 HydrophobicContact CD2-CG1 3.59Å; M670-V672 PolarHBondContact O-N 2.92Å; M670-V672 VanDerWaalsContact O-N 3.09Å
673L93.4Very high85Confident12 Ų1242.6 Ų42.66%0.06324%0.242CC..SBendtrans-69.7140.2-179.3-61.6-178.1000109.5R264 S344 V490 L588 I645 L667 M670 P671 V675R264-L673 PolarHBondContact NH1-O 2.92Å; R264-L673 PolarHBondContact NH2-O 3.43Å; S344-L673 WeakPolarHBondContact CB-O 3.42Å; S344-L673 PolarHBondContact OG-O 3.5Å; V490-L673 HydrophobicContact CB-CD2 4.33Å; V490-L673 HydrophobicContact CG1-CD2 3.9Å; V490-L673 HydrophobicContact CG2-CD2 4.11Å; L588-L673 HydrophobicContact CD1-CD2 4.09Å; L588-L673 HydrophobicContact CD2-CD1 4.23Å; L588-L673 HydrophobicContact CD2-CD2 4.33Å; I645-L673 HydrophobicContact CD1-CD1 3.69Å; L667-L673 WeakPolarHBondContact O-CD1 3.46Å; M670-L673 HydrophobicContact CB-CD1 4.24Å; M670-L673 HydrophobicContact CB-CG 4.19Å; M670-L673 PolarHBondContact O-N 3.49Å; P671-L673 VanDerWaalsContact C-N 3.35Å; L673-V675 PolarHBondContact O-N 2.89Å
674K89.6Confident84.7Confident122 Ų12243.2 Ų43.253%0.5325%0.246SC..PPolyproline II helixtrans-65.8133178.3-172.8177178-176.80111.1E676K674-E676 PolarHBondContact O-N 3.36Å
675V86.3Confident84.5Confident22 Ų2246.1 Ų46.113%0.13326%0.259CS..PPolyproline II helixtrans-74.5121.2164.9-175.40000107.5L272 E274 L673 K677L272-V675 HydrophobicContact CD2-CB 4.48Å; L272-V675 HydrophobicContact CD2-CG2 4.17Å; E274-V675 HydrophobicContact CB-CG2 4.03Å; L673-V675 PolarHBondContact O-N 2.89Å; V675-K677 PolarHBondContact O-N 3.45Å; V675-K677 VanDerWaalsContact O-N 3.14Å
676E73.1Confident84.4Confident98 Ų9844.8 Ų44.846%0.45825%0.252SS..PPolyproline II helixtrans-61.2118.3177-70.8-176-17900108.8T644 H646 K674 G678T644-E676 PolarHBondContact OG1-OE1 3.32Å; H646-E676 IonicContact CD2-OE2 3.43Å; H646-E676 PolarHBondContact CD2-OE2 3.4Å; H646-E676 IonicContact CG-OE2 3.48Å; K674-E676 PolarHBondContact O-N 3.36Å; E676-G678 PolarHBondContact O-N 3.23Å; E676-G678 VanDerWaalsContact O-N 3.08Å
677K64Low84.3Confident129 Ų12945.2 Ų45.256%0.56126%0.255SS*.  trans-68.3109.8173.9-68.4-166.6-177.7-167.80107.4V675 T682 E685V675-K677 PolarHBondContact O-N 3.45Å; V675-K677 VanDerWaalsContact O-N 3.14Å; K677-T682 HydrophobicContact CG-CG2 4.25Å; K677-E685 IonicContact NZ-OE1 3.57Å; K677-E685 PolarHBondContact NZ-OE1 3.24Å; K677-E685 IonicContact NZ-OE2 3.84Å
678G58.8Low84.1Confident60 Ų6048.9 Ų48.962%0.61927%0.272SS*.  trans-63-167.2163.600000111.3E676 G680E676-G678 PolarHBondContact O-N 3.23Å; E676-G678 VanDerWaalsContact O-N 3.08Å; G678-G680 PolarHBondContact O-N 3.27Å
679T48.9Very low83.9Confident168 Ų16850.7 Ų50.7100%1.03129%0.287SS*.SBendtrans-67.512.1175.854.30000114.3
680G63.7Low83.8Confident51 Ų5150.7 Ų50.753%0.52629%0.287SS..SBendtrans-140.6171.6-173.500000113.5G678G678-G680 PolarHBondContact O-N 3.27Å
681E77.8Confident83.7Confident116 Ų11653.3 Ų53.354%0.54230%0.3SS..  trans-69.7147.9179.2-63.5174.4-18000111.9E685 R686E681-E685 HydrophobicContact CB-CB 4.14Å; E681-R686 HydrophobicContact CB-CG 3.84Å; E681-R686 PolarHBondContact O-NH1 3.48Å
682T88.5Confident83.3Confident35 Ų3556.1 Ų56.122%0.21533%0.33CS..  trans-73.5161.2171.760.40000111.7K677 T684 E685 R686K677-T682 HydrophobicContact CG-CG2 4.25Å; T682-T684 VanDerWaalsContact C-N 3.25Å; T682-T684 PolarHBondContact O-N 3.47Å; T682-E685 WeakPolarHBondContact CB-OE2 3.47Å; T682-E685 PolarHBondContact N-OE2 2.78Å; T682-E685 PolarHBondContact O-N 2.71Å; T682-E685 VanDerWaalsContact O-N 3.14Å; T682-E685 WeakPolarHBondContact OG1-CB 3.32Å; T682-E685 VanDerWaalsContact OG1-CD 3.22Å; T682-E685 VanDerWaalsContact OG1-CG 3.24Å; T682-E685 WeakPolarHBondContact OG1-CG 3.24Å; T682-E685 PolarHBondContact OG1-N 2.92Å; T682-E685 PolarHBondContact OG1-OE2 3.01Å; T682-R686 WeakPolarHBondContact O-CG 3.42Å; T682-R686 PolarHBondContact O-N 3.43Å
683A92.1Very high83Confident1 Ų159.2 Ų59.21%0.00835%0.352CS..Hα-helixtrans-58.2-37.9177.700000112.8F262 E274 F276 R686 L687F262-A683 HydrophobicContact CD1-CB 3.87Å; F262-A683 HydrophobicContact CE1-CB 3.81Å; E274-A683 WeakPolarHBondContact O-CB 3.39Å; F276-A683 HydrophobicContact CB-CB 4.14Å; A683-R686 PolarHBondContact O-N 2.86Å; A683-L687 PolarHBondContact O-N 3.17Å
684T90.1Very high82.7Confident14 Ų1459 Ų599%0.08635%0.351CS..Hα-helixtrans-64.7-42.2175.4-610000112.2T682 L687 Q688T682-T684 VanDerWaalsContact C-N 3.25Å; T682-T684 PolarHBondContact O-N 3.47Å; T684-L687 PolarHBondContact O-N 3.13Å; T684-Q688 WeakPolarHBondContact O-CG 3.36Å; T684-Q688 PolarHBondContact O-N 3.37Å
685E90.2Very high82.5Confident60 Ų6056.6 Ų56.628%0.2835%0.348SS..Hα-helixtrans-63.9-42.9175.5-74.4163.1156.100111.1K677 E681 T682 L687 Q688 A689K677-E685 IonicContact NZ-OE1 3.57Å; K677-E685 PolarHBondContact NZ-OE1 3.24Å; K677-E685 IonicContact NZ-OE2 3.84Å; E681-E685 HydrophobicContact CB-CB 4.14Å; T682-E685 WeakPolarHBondContact CB-OE2 3.47Å; T682-E685 PolarHBondContact N-OE2 2.78Å; T682-E685 PolarHBondContact O-N 2.71Å; T682-E685 VanDerWaalsContact O-N 3.14Å; T682-E685 WeakPolarHBondContact OG1-CB 3.32Å; T682-E685 VanDerWaalsContact OG1-CD 3.22Å; T682-E685 VanDerWaalsContact OG1-CG 3.24Å; T682-E685 WeakPolarHBondContact OG1-CG 3.24Å; T682-E685 PolarHBondContact OG1-N 2.92Å; T682-E685 PolarHBondContact OG1-OE2 3.01Å; E685-L687 PolarHBondContact O-N 3.29Å; E685-Q688 PolarHBondContact O-N 3.18Å; E685-A689 WeakPolarHBondContact O-CB 3.44Å; E685-A689 PolarHBondContact O-N 3.07Å
686R93.1Very high82.4Confident32 Ų3259.3 Ų59.312%0.12137%0.373CS..Hα-helixtrans-63.5-39176.2-65.1-174.8-51.4-106.77.8112.4E275 E681 T682 A683 A689 Y690 I708 H711E275-R686 IonicContact OE2-NH2 3.57Å; E275-R686 PolarHBondContact OE2-NH2 2.94Å; E681-R686 HydrophobicContact CB-CG 3.84Å; E681-R686 PolarHBondContact O-NH1 3.48Å; T682-R686 WeakPolarHBondContact O-CG 3.42Å; T682-R686 PolarHBondContact O-N 3.43Å; A683-R686 PolarHBondContact O-N 2.86Å; R686-A689 PolarHBondContact O-N 2.95Å; R686-Y690 PolarHBondContact O-N 3.04Å; R686-I708 HydrophobicContact CB-CG2 4.14Å; R686-I708 PolarHBondContact NE-O 2.93Å; R686-I708 PolarHBondContact NH2-O 3.17Å; R686-H711 PolarHBondContact NH2-CE1 2.86Å
687L94.1Very high82.9Confident11 Ų1162.6 Ų62.66%0.05839%0.385CS..Hα-helixtrans-60.6-48.4171.3172.363.7000111.3P260 F262 F279 A683 T684 E685 A689 Y690 L691 I708P260-L687 HydrophobicContact CB-CD2 3.86Å; P260-L687 HydrophobicContact CG-CD2 3.93Å; F262-L687 HydrophobicContact CE2-CD2 4.48Å; F262-L687 HydrophobicContact CZ-CD2 3.81Å; F279-L687 HydrophobicContact CE1-CD1 4.04Å; F279-L687 HydrophobicContact CZ-CD1 3.81Å; A683-L687 PolarHBondContact O-N 3.17Å; T684-L687 PolarHBondContact O-N 3.13Å; E685-L687 PolarHBondContact O-N 3.29Å; L687-A689 VanDerWaalsContact C-N 3.31Å; L687-A689 PolarHBondContact O-N 2.87Å; L687-Y690 PolarHBondContact O-N 3.28Å; L687-L691 HydrophobicContact CD1-CD1 3.88Å; L687-L691 HydrophobicContact CD1-CG 4.03Å; L687-L691 HydrophobicContact CG-CD1 4.03Å; L687-L691 HydrophobicContact CG-CG 4.5Å; L687-L691 VanDerWaalsContact O-CG 3.31Å; L687-L691 WeakPolarHBondContact O-CG 3.38Å; L687-L691 PolarHBondContact O-N 3.14Å; L687-I708 HydrophobicContact CB-CD1 3.97Å; L687-I708 HydrophobicContact CB-CG1 4.33Å; L687-I708 HydrophobicContact CD1-CD1 3.5Å; L687-I708 VanDerWaalsContact CD1-CD1 3.5Å; L687-I708 HydrophobicContact CG-CD1 4.32Å
688Q90.2Very high83.9Confident79 Ų7958.1 Ų58.137%0.36937%0.366SS..Hα-helixtrans-63.3-37.6178.8-72.3175.6-30.400112.3T684 E685 L691 G692T684-Q688 WeakPolarHBondContact O-CG 3.36Å; T684-Q688 PolarHBondContact O-N 3.37Å; E685-Q688 PolarHBondContact O-N 3.18Å; Q688-L691 PolarHBondContact O-N 3.05Å; Q688-G692 PolarHBondContact O-N 3.29Å
689A90.6Very high85.3Confident45 Ų4556.7 Ų56.737%0.37234%0.344SS..Hα-helixtrans-63.1-43.7175.300000111.7E685 R686 L687 G692 S693E685-A689 WeakPolarHBondContact O-CB 3.44Å; E685-A689 PolarHBondContact O-N 3.07Å; R686-A689 PolarHBondContact O-N 2.95Å; L687-A689 VanDerWaalsContact C-N 3.31Å; L687-A689 PolarHBondContact O-N 2.87Å; A689-G692 PolarHBondContact O-N 3.48Å; A689-S693 WeakPolarHBondContact O-CB 3.3Å; A689-S693 PolarHBondContact O-N 3.17Å; A689-S693 PolarHBondContact O-OG 3.02Å
690Y93Very high87.3Confident1 Ų151.1 Ų51.10%0.00431%0.308CS..Hα-helixtrans-60.9-51.3174.2-179-101.1000112A166 R686 L687 G692 S693 V694 L699 N700 A704 H707A166-Y690 HydrophobicContact CB-CD2 4.14Å; A166-Y690 HydrophobicContact CB-CE2 4.3Å; R686-Y690 PolarHBondContact O-N 3.04Å; L687-Y690 PolarHBondContact O-N 3.28Å; Y690-G692 PolarHBondContact O-N 3.5Å; Y690-S693 WeakPolarHBondContact CA-OG 3.46Å; Y690-S693 PolarHBondContact O-N 2.95Å; Y690-S693 PolarHBondContact O-OG 2.83Å; Y690-V694 HydrophobicContact CD2-CG2 4.13Å; Y690-V694 HydrophobicContact CE2-CG2 3.74Å; Y690-V694 PolarHBondContact O-N 3.34Å; Y690-V694 VanDerWaalsContact O-N 3.13Å; Y690-L699 HydrophobicContact CD1-CD2 4.14Å; Y690-L699 HydrophobicContact CE1-CD2 3.56Å; Y690-N700 PolarHBondContact OH-N 3.09Å; Y690-N700 PolarHBondContact OH-O 3.22Å; Y690-A704 HydrophobicContact CD1-CB 3.65Å; Y690-A704 HydrophobicContact CE1-CB 3.33Å; Y690-A704 HydrophobicContact CE2-CB 4.48Å; Y690-A704 HydrophobicContact CG-CB 4.37Å; Y690-H707 HydrophobicContact CD2-CB 3.74Å; Y690-H707 AromaticContact CD2-CD2 3.73Å; Y690-H707 AromaticContact CD2-CG 3.64Å; Y690-H707 HydrophobicContact CE2-CB 4.21Å; Y690-H707 HydrophobicContact CG-CB 4.5Å
691L91.1Very high88.7Confident57 Ų5751.2 Ų51.230%0.29829%0.294SS..Hα-helixtrans-63.9-27.8-179.5-63.9177000112.9V251 L687 Q688 L699V251-L691 HydrophobicContact CG1-CD1 4.24Å; V251-L691 HydrophobicContact CG1-CD2 3.6Å; V251-L691 HydrophobicContact CG2-CD1 3.75Å; L687-L691 HydrophobicContact CD1-CD1 3.88Å; L687-L691 HydrophobicContact CD1-CG 4.03Å; L687-L691 HydrophobicContact CG-CD1 4.03Å; L687-L691 HydrophobicContact CG-CG 4.5Å; L687-L691 VanDerWaalsContact O-CG 3.31Å; L687-L691 WeakPolarHBondContact O-CG 3.38Å; L687-L691 PolarHBondContact O-N 3.14Å; Q688-L691 PolarHBondContact O-N 3.05Å; L691-L699 HydrophobicContact CD2-CD1 4.13Å; L691-L699 HydrophobicContact CD2-CD2 3.93Å
692G86.9Confident89.3Confident60 Ų6046.5 Ų46.562%0.61927%0.274SS*.Hα-helixtrans-82.2-26.2176.300000114.4Q688 A689 Y690Q688-G692 PolarHBondContact O-N 3.29Å; A689-G692 PolarHBondContact O-N 3.48Å; Y690-G692 PolarHBondContact O-N 3.5Å
693S87.4Confident89.5Confident71 Ų7144.9 Ų44.950%0.49726%0.264SS..Hα-helixtrans-89.6-27.6-176.755.30000113.5A689 Y690A689-S693 WeakPolarHBondContact O-CB 3.3Å; A689-S693 PolarHBondContact O-N 3.17Å; A689-S693 PolarHBondContact O-OG 3.02Å; Y690-S693 WeakPolarHBondContact CA-OG 3.46Å; Y690-S693 PolarHBondContact O-N 2.95Å; Y690-S693 PolarHBondContact O-OG 2.83Å
694V88Confident89.6Confident7 Ų744.9 Ų44.94%0.04226%0.264CS..SBendtrans-106.3127.3-177.2-1770000110.9A166 P168 Y690 H698 L699A166-V694 HydrophobicContact CB-CG2 3.88Å; A166-V694 WeakPolarHBondContact O-CG2 3.4Å; P168-V694 HydrophobicContact CG-CG1 4.22Å; Y690-V694 HydrophobicContact CD2-CG2 4.13Å; Y690-V694 HydrophobicContact CE2-CG2 3.74Å; Y690-V694 PolarHBondContact O-N 3.34Å; Y690-V694 VanDerWaalsContact O-N 3.13Å; V694-H698 HydrophobicContact CG1-CB 3.88Å; V694-L699 HydrophobicContact CB-CD2 3.86Å; V694-L699 HydrophobicContact CG1-CD2 4Å; V694-L699 HydrophobicContact CG1-CG 4.47Å
695P85.1Confident89.8Confident71 Ų7144.2 Ų44.246%0.46126%0.26SS..  trans-59.5143.5174.9-23.733.6000112.2K697 H698 L699P695-K697 HydrophobicContact CB-CG 4.26Å; P695-K697 PolarHBondContact O-N 3.48Å; P695-H698 WeakPolarHBondContact O-CA 3.42Å; P695-H698 PolarHBondContact O-N 3.15Å; P695-L699 PolarHBondContact O-N 2.98Å
696A84.3Confident90.1Very high80 Ų8041.5 Ų41.566%0.66125%0.247SC*.G310 helixtrans-49.5-40.5-175.500000114.5H698 L699A696-H698 PolarHBondContact O-N 3.44Å; A696-L699 HydrophobicContact CB-CD1 4.49Å; A696-L699 PolarHBondContact O-N 3.27Å
697K83.1Confident90.1Very high166 Ų16641.4 Ų41.472%0.72225%0.248SC*.G310 helixtrans-64.8-16.3177.560.1171.1175168.90115P695P695-K697 HydrophobicContact CB-CG 4.26Å; P695-K697 PolarHBondContact O-N 3.48Å
698H85.2Confident90.2Very high36 Ų3640.9 Ų40.917%0.16725%0.246CC..G310 helixtrans-114.30.6-177-66.5-51.2000112.7P168 G172 V694 P695 A696 N700P168-H698 HydrophobicContact CB-CB 3.95Å; P168-H698 HydrophobicContact CG-CB 3.76Å; G172-H698 PolarHBondContact N-CE1 3.21Å; V694-H698 HydrophobicContact CG1-CB 3.88Å; P695-H698 WeakPolarHBondContact O-CA 3.42Å; P695-H698 PolarHBondContact O-N 3.15Å; A696-H698 PolarHBondContact O-N 3.44Å; H698-N700 PolarHBondContact O-N 3.06Å
699L88.6Confident90.4Very high29 Ų2937.3 Ų37.315%0.15223%0.229CC..  trans-61129.7175.2-71.5174.4000109.8F253 Y690 L691 V694 P695 A696F253-L699 HydrophobicContact CD1-CB 3.8Å; F253-L699 HydrophobicContact CE1-CB 4Å; Y690-L699 HydrophobicContact CD1-CD2 4.14Å; Y690-L699 HydrophobicContact CE1-CD2 3.56Å; L691-L699 HydrophobicContact CD2-CD1 4.13Å; L691-L699 HydrophobicContact CD2-CD2 3.93Å; V694-L699 HydrophobicContact CB-CD2 3.86Å; V694-L699 HydrophobicContact CG1-CD2 4Å; V694-L699 HydrophobicContact CG1-CG 4.47Å; P695-L699 PolarHBondContact O-N 2.98Å; A696-L699 HydrophobicContact CB-CD1 4.49Å; A696-L699 PolarHBondContact O-N 3.27Å
700N90.3Very high90.4Very high52 Ų5238.1 Ų38.128%0.27823%0.229SC..  trans-130.3127.9178.3177.2-80.3000109.1Y690 H698 S702 L703 A704Y690-N700 PolarHBondContact OH-N 3.09Å; Y690-N700 PolarHBondContact OH-O 3.22Å; H698-N700 PolarHBondContact O-N 3.06Å; N700-S702 VanDerWaalsContact C-N 3.35Å; N700-S702 PolarHBondContact O-N 3.1Å; N700-S702 WeakPolarHBondContact OD1-CA 3.44Å; N700-S702 VanDerWaalsContact OD1-CB 3.3Å; N700-S702 WeakPolarHBondContact OD1-CB 3.29Å; N700-S702 PolarHBondContact OD1-N 3.02Å; N700-L703 HydrophobicContact CB-CB 4.18Å; N700-L703 HydrophobicContact CB-CD1 4.26Å; N700-L703 HydrophobicContact CB-CG 4.17Å; N700-L703 PolarHBondContact O-N 2.88Å; N700-L703 PolarHBondContact OD1-N 2.89Å; N700-A704 WeakPolarHBondContact O-CB 3.32Å; N700-A704 PolarHBondContact O-N 3.34Å
701K92.1Very high90.2Very high52 Ų5241.8 Ų41.823%0.22625%0.246CC..Hα-helixtrans-58.9-44.7-176.4-175.4-174.2155.71650112.1D278 F279 A704 M705D278-K701 WeakPolarHBondContact OD1-CE 3.47Å; D278-K701 IonicContact OD1-NZ 3.5Å; D278-K701 PolarHBondContact OD1-NZ 3.04Å; F279-K701 HydrophobicContact CB-CD 4.04Å; F279-K701 HydrophobicContact CB-CG 4.18Å; F279-K701 HydrophobicContact CD2-CD 4.29Å; F279-K701 HydrophobicContact CD2-CG 3.54Å; F279-K701 HydrophobicContact CE2-CG 4.32Å; F279-K701 HydrophobicContact CG-CG 4.21Å; F279-K701 PolarHBondContact O-NZ 3.18Å; K701-A704 WeakPolarHBondContact O-CB 3.38Å; K701-A704 PolarHBondContact O-N 3.42Å; K701-M705 PolarHBondContact O-N 3.49Å
702S91.6Very high90.2Very high18 Ų1839.7 Ų39.713%0.12624%0.236CC..Hα-helixtrans-65.8-46.5-178.5-480000111.8E226 N700 A704 M705 L706E226-S702 WeakPolarHBondContact OE1-CA 3.24Å; E226-S702 WeakPolarHBondContact OE1-CB 3.44Å; E226-S702 PolarHBondContact OE1-OG 3.32Å; N700-S702 VanDerWaalsContact C-N 3.35Å; N700-S702 PolarHBondContact O-N 3.1Å; N700-S702 WeakPolarHBondContact OD1-CA 3.44Å; N700-S702 VanDerWaalsContact OD1-CB 3.3Å; N700-S702 WeakPolarHBondContact OD1-CB 3.29Å; N700-S702 PolarHBondContact OD1-N 3.02Å; S702-A704 VanDerWaalsContact C-N 3.31Å; S702-A704 PolarHBondContact O-N 3.15Å; S702-M705 WeakPolarHBondContact O-CB 3.32Å; S702-M705 PolarHBondContact O-N 3.46Å; S702-L706 WeakPolarHBondContact O-CG 3.41Å; S702-L706 PolarHBondContact O-N 2.99Å; S702-L706 VanDerWaalsContact O-N 3.15Å
703L92.7Very high90.2Very high1 Ų145.2 Ų45.21%0.00524%0.243CC..Hα-helixtrans-63.2-38.8175-68-171.9000112A163 I167 L169 N700 L706 H707A163-L703 HydrophobicContact CB-CD2 3.92Å; I167-L703 WeakPolarHBondContact O-CD1 3.33Å; L169-L703 HydrophobicContact CD2-CD1 4.35Å; L169-L703 HydrophobicContact CD2-CD2 4.1Å; L169-L703 HydrophobicContact CG-CD1 3.95Å; L169-L703 HydrophobicContact CG-CD2 4.28Å; L169-L703 HydrophobicContact CG-CG 4.31Å; N700-L703 HydrophobicContact CB-CB 4.18Å; N700-L703 HydrophobicContact CB-CD1 4.26Å; N700-L703 HydrophobicContact CB-CG 4.17Å; N700-L703 PolarHBondContact O-N 2.88Å; N700-L703 PolarHBondContact OD1-N 2.89Å; L703-L706 PolarHBondContact O-N 3.07Å; L703-H707 VanDerWaalsContact O-CB 3.24Å; L703-H707 WeakPolarHBondContact O-CB 3.33Å; L703-H707 PolarHBondContact O-N 3.46Å
704A94.5Very high90.1Very high0 Ų045.4 Ų45.40%024%0.236CC..Hα-helixtrans-59.4-47.6174.500000111F253 F279 Y690 N700 K701 S702 L706 H707 I708F253-A704 HydrophobicContact CZ-CB 4.49Å; F279-A704 HydrophobicContact CE2-CB 3.71Å; F279-A704 HydrophobicContact CZ-CB 4.03Å; Y690-A704 HydrophobicContact CD1-CB 3.65Å; Y690-A704 HydrophobicContact CE1-CB 3.33Å; Y690-A704 HydrophobicContact CE2-CB 4.48Å; Y690-A704 HydrophobicContact CG-CB 4.37Å; N700-A704 WeakPolarHBondContact O-CB 3.32Å; N700-A704 PolarHBondContact O-N 3.34Å; K701-A704 WeakPolarHBondContact O-CB 3.38Å; K701-A704 PolarHBondContact O-N 3.42Å; S702-A704 VanDerWaalsContact C-N 3.31Å; S702-A704 PolarHBondContact O-N 3.15Å; A704-L706 VanDerWaalsContact C-N 3.27Å; A704-L706 PolarHBondContact O-N 3.34Å; A704-H707 PolarHBondContact O-N 3.18Å; A704-I708 HydrophobicContact CB-CD1 4.32Å; A704-I708 WeakPolarHBondContact O-CB 3.48Å; A704-I708 VanDerWaalsContact O-CD1 3.31Å; A704-I708 WeakPolarHBondContact O-CD1 3.39Å; A704-I708 WeakPolarHBondContact O-CG1 3.34Å; A704-I708 PolarHBondContact O-N 3.49Å
705M94.8Very high90.3Very high0 Ų049 Ų490%026%0.255CS..Hα-helixtrans-55.7-42.1178.3-179.358.7-15900112.4E226 V229 R230 M233 F276 V277 K701 S702 N709E226-M705 HydrophobicContact CB-CG 4.44Å; E226-M705 HydrophobicContact CG-CB 4.21Å; E226-M705 HydrophobicContact CG-CG 4.12Å; V229-M705 HydrophobicContact CG1-CE 4.2Å; R230-M705 HydrophobicContact CB-CE 4.08Å; R230-M705 HydrophobicContact CG-CE 4.47Å; M233-M705 HydrophobicContact CE-CE 3.54Å; F276-M705 HydrophobicContact CD1-SD 3.88Å; F276-M705 HydrophobicContact CE1-SD 3.56Å; F276-M705 VanDerWaalsContact CE1-SD 3.56Å; V277-M705 VanDerWaalsContact O-CE 3.31Å; V277-M705 WeakPolarHBondContact O-CE 3.46Å; K701-M705 PolarHBondContact O-N 3.49Å; S702-M705 WeakPolarHBondContact O-CB 3.32Å; S702-M705 PolarHBondContact O-N 3.46Å; M705-N709 WeakPolarHBondContact CE-ND2 3.3Å; M705-N709 WeakPolarHBondContact O-CB 3.46Å; M705-N709 PolarHBondContact O-ND2 2.88Å
706L94.6Very high90.7Very high3 Ų347 Ų472%0.01624%0.24CC..Hα-helixtrans-76.1-40.2179-61.9178.4000112.6F160 A163 C225 V229 S702 L703 A704 N709 T710F160-L706 HydrophobicContact CE1-CD2 3.97Å; F160-L706 HydrophobicContact CZ-CD2 4.1Å; A163-L706 HydrophobicContact CB-CB 3.48Å; A163-L706 VanDerWaalsContact CB-CB 3.48Å; A163-L706 HydrophobicContact CB-CD1 3.98Å; A163-L706 HydrophobicContact CB-CG 4.39Å; C225-L706 HydrophobicContact CB-CD1 3.8Å; C225-L706 HydrophobicContact CB-CD2 3.85Å; C225-L706 HydrophobicContact CB-CG 4.39Å; V229-L706 HydrophobicContact CB-CD2 4.38Å; V229-L706 HydrophobicContact CG2-CD2 3.79Å; S702-L706 WeakPolarHBondContact O-CG 3.41Å; S702-L706 PolarHBondContact O-N 2.99Å; S702-L706 VanDerWaalsContact O-N 3.15Å; L703-L706 PolarHBondContact O-N 3.07Å; A704-L706 VanDerWaalsContact C-N 3.27Å; A704-L706 PolarHBondContact O-N 3.34Å; L706-N709 CarbonylContact O-C 3.48Å; L706-N709 PolarHBondContact O-N 2.91Å; L706-T710 PolarHBondContact O-N 3.16Å
707H94.6Very high91.1Very high31 Ų3146.6 Ų46.614%0.14423%0.227CC..Hα-helixtrans-64.6-46.6179.7-174.283.9000112.2A163 K164 Y690 L703 A704 N709 T710A163-H707 WeakPolarHBondContact O-CB 3.35Å; A163-H707 PolarHBondContact O-ND1 3.28Å; K164-H707 PolarHBondContact O-CE1 3Å; K164-H707 PolarHBondContact O-ND1 2.92Å; Y690-H707 HydrophobicContact CD2-CB 3.74Å; Y690-H707 AromaticContact CD2-CD2 3.73Å; Y690-H707 AromaticContact CD2-CG 3.64Å; Y690-H707 HydrophobicContact CE2-CB 4.21Å; Y690-H707 HydrophobicContact CG-CB 4.5Å; L703-H707 VanDerWaalsContact O-CB 3.24Å; L703-H707 WeakPolarHBondContact O-CB 3.33Å; L703-H707 PolarHBondContact O-N 3.46Å; A704-H707 PolarHBondContact O-N 3.18Å; H707-N709 PolarHBondContact O-N 3.29Å; H707-T710 WeakPolarHBondContact O-CG2 3.48Å; H707-T710 PolarHBondContact O-N 3.38Å; H707-T710 PolarHBondContact O-OG1 3.49Å
708I95.3Very high91.6Very high0 Ų041.6 Ų41.60%021%0.21CC..Hα-helixtrans-65.7-27.3-179.1-61.9162.5000110.8F276 F279 R686 L687 A704F276-I708 HydrophobicContact CB-CG2 3.55Å; F276-I708 HydrophobicContact CD1-CB 4.02Å; F276-I708 HydrophobicContact CD1-CD1 3.77Å; F276-I708 HydrophobicContact CD1-CG2 3.81Å; F276-I708 HydrophobicContact CE1-CD1 3.86Å; F276-I708 HydrophobicContact CG-CD1 4.22Å; F276-I708 HydrophobicContact CG-CG2 3.84Å; F276-I708 HydrophobicContact CZ-CD1 4.38Å; F279-I708 HydrophobicContact CZ-CD1 4.22Å; R686-I708 HydrophobicContact CB-CG2 4.14Å; R686-I708 PolarHBondContact NE-O 2.93Å; R686-I708 PolarHBondContact NH2-O 3.17Å; L687-I708 HydrophobicContact CB-CD1 3.97Å; L687-I708 HydrophobicContact CB-CG1 4.33Å; L687-I708 HydrophobicContact CD1-CD1 3.5Å; L687-I708 VanDerWaalsContact CD1-CD1 3.5Å; L687-I708 HydrophobicContact CG-CD1 4.32Å; A704-I708 HydrophobicContact CB-CD1 4.32Å; A704-I708 WeakPolarHBondContact O-CB 3.48Å; A704-I708 VanDerWaalsContact O-CD1 3.31Å; A704-I708 WeakPolarHBondContact O-CD1 3.39Å; A704-I708 WeakPolarHBondContact O-CG1 3.34Å; A704-I708 PolarHBondContact O-N 3.49Å
709N94.8Very high92Very high3 Ų339.9 Ų39.92%0.01620%0.202CC..THydrogen-bonded Turntrans-110.931.8-176.7-65.5-54.9000113.2V229 M233 F276 M705 L706 H707 H711 V712V229-N709 HydrophobicContact CG1-CB 3.59Å; M233-N709 HydrophobicContact CE-CB 4.43Å; M233-N709 PolarHBondContact SD-OD1 3.25Å; F276-N709 PolarHBondContact O-ND2 3.08Å; F276-N709 PolarHBondContact O-OD1 2.97Å; M705-N709 WeakPolarHBondContact CE-ND2 3.3Å; M705-N709 WeakPolarHBondContact O-CB 3.46Å; M705-N709 PolarHBondContact O-ND2 2.88Å; L706-N709 CarbonylContact O-C 3.48Å; L706-N709 PolarHBondContact O-N 2.91Å; H707-N709 PolarHBondContact O-N 3.29Å; N709-H711 PolarHBondContact O-N 3.49Å; N709-H711 VanDerWaalsContact O-N 3.13Å; N709-V712 HydrophobicContact CB-CB 4.48Å; N709-V712 HydrophobicContact CB-CG2 3.86Å; N709-V712 WeakPolarHBondContact O-CB 3.23Å; N709-V712 PolarHBondContact O-N 3Å
710T90.9Very high92.4Very high62 Ų6238.7 Ų38.738%0.3820%0.196SC..THydrogen-bonded Turntrans-61.8-18.9179.244.40000114.6K164 L706 H707 V712K164-T710 HydrophobicContact CB-CG2 3.94Å; K164-T710 HydrophobicContact CG-CG2 3.81Å; L706-T710 PolarHBondContact O-N 3.16Å; H707-T710 WeakPolarHBondContact O-CG2 3.48Å; H707-T710 PolarHBondContact O-N 3.38Å; H707-T710 PolarHBondContact O-OG1 3.49Å; T710-V712 VanDerWaalsContact C-N 3.35Å
711H89Confident92.6Very high79 Ų7938.3 Ų38.337%0.36619%0.194SC..THydrogen-bonded Turntrans-79.3-17.5174.964.4-58000113.2E275 R686 N709E275-H711 VanDerWaalsContact CD-NE2 3.27Å; E275-H711 IonicContact OE1-CD2 2.99Å; E275-H711 IonicContact OE1-NE2 3.54Å; E275-H711 PolarHBondContact OE1-NE2 3.31Å; E275-H711 IonicContact OE2-CE1 2.98Å; E275-H711 PolarHBondContact OE2-CE1 3.26Å; E275-H711 VanDerWaalsContact OE2-CE1 3.22Å; E275-H711 IonicContact OE2-NE2 2.69Å; E275-H711 PolarHBondContact OE2-NE2 3.07Å; R686-H711 PolarHBondContact NH2-CE1 2.86Å; N709-H711 PolarHBondContact O-N 3.49Å; N709-H711 VanDerWaalsContact O-N 3.13Å
712V90.4Very high92.6Very high12 Ų1238.9 Ų38.97%0.07320%0.196CC..SBendtrans-74.2128.7179.9-177.70000109.2V229 E232 M233 N709 T710V229-V712 HydrophobicContact CG1-CB 4.04Å; V229-V712 HydrophobicContact CG1-CG1 4.1Å; V229-V712 HydrophobicContact CG1-CG2 4.32Å; E232-V712 HydrophobicContact CB-CG1 3.76Å; E232-V712 HydrophobicContact CG-CG1 3.8Å; M233-V712 HydrophobicContact CG-CG1 4.49Å; M233-V712 HydrophobicContact CG-CG2 3.9Å; M233-V712 HydrophobicContact SD-CG2 3.85Å; N709-V712 HydrophobicContact CB-CB 4.48Å; N709-V712 HydrophobicContact CB-CG2 3.86Å; N709-V712 WeakPolarHBondContact O-CB 3.23Å; N709-V712 PolarHBondContact O-N 3Å; T710-V712 VanDerWaalsContact C-N 3.35Å
713K86.3Confident92.8Very high176 Ų17638.2 Ų38.277%0.76519%0.191SC*.  trans-68.7139.8176.5-66.1-177.8-178.51780109.2
714H86.7Confident92.8Very high76 Ų7639.8 Ų39.835%0.35220%0.202SC..  trans-134145.1173.353.5-81.1000108.5F160 M719F160-H714 AromaticContact CD1-CE1 3.49Å; F160-H714 VanDerWaalsContact CD1-CE1 3.49Å; F160-H714 WeakPolarHBondContact CD1-CE1 3.45Å; F160-H714 AromaticContact CD1-ND1 3.94Å; F160-H714 AromaticContact CD1-NE2 3.58Å; F160-H714 AromaticContact CD2-CD2 3.83Å; F160-H714 AromaticContact CD2-NE2 3.77Å; F160-H714 HydrophobicContact CE1-CB 4.44Å; F160-H714 AromaticContact CE1-CD2 3.86Å; F160-H714 AromaticContact CE1-CE1 3.6Å; F160-H714 AromaticContact CE1-CG 3.71Å; F160-H714 AromaticContact CE1-ND1 3.55Å; F160-H714 AromaticContact CE1-NE2 3.81Å; F160-H714 AromaticContact CE2-CD2 3.62Å; F160-H714 AromaticContact CG-CE1 3.95Å; F160-H714 AromaticContact CG-NE2 3.55Å; F160-H714 HydrophobicContact CZ-CB 4Å; F160-H714 AromaticContact CZ-CD2 3.62Å; F160-H714 AromaticContact CZ-CG 3.58Å; F160-H714 AromaticContact CZ-ND1 3.93Å; H714-M719 HydrophobicContact CB-CE 4.27Å; H714-M719 HydrophobicContact CB-SD 4.45Å
715D90.9Very high92.7Very high82 Ų8249 Ų4944%0.43924%0.236SC..  trans-111.6114.6177.1-174-30.8000108.1D717 V718 M719D715-D717 VanDerWaalsContact C-N 3.27Å; D715-D717 PolarHBondContact O-N 2.96Å; D715-D717 WeakPolarHBondContact OD1-CB 3.28Å; D715-D717 PolarHBondContact OD1-N 3.35Å; D715-V718 HydrophobicContact CB-CB 4.05Å; D715-V718 HydrophobicContact CB-CG2 3.81Å; D715-V718 PolarHBondContact O-N 3Å; D715-V718 PolarHBondContact OD1-N 3.42Å; D715-M719 WeakPolarHBondContact O-CG 3.45Å; D715-M719 PolarHBondContact O-N 2.85Å; D715-M719 VanDerWaalsContact O-N 3.1Å
716L93.3Very high92.6Very high28 Ų2853.8 Ų53.815%0.14726%0.261CS..Hα-helixtrans-64-33.7-177.8-62.4167.7000111.6R153 F156 E157 V718 M719 V720R153-L716 HydrophobicContact CG-CB 4.07Å; R153-L716 HydrophobicContact CG-CD1 4.16Å; F156-L716 HydrophobicContact CB-CD2 3.73Å; E157-L716 HydrophobicContact CG-CD1 3.38Å; E157-L716 HydrophobicContact CG-CD2 4.21Å; E157-L716 HydrophobicContact CG-CG 4.44Å; E157-L716 VanDerWaalsContact OE1-CD1 3.27Å; E157-L716 WeakPolarHBondContact OE1-CD1 3.42Å; L716-V718 VanDerWaalsContact C-N 3.34Å; L716-M719 HydrophobicContact CD2-SD 4.39Å; L716-M719 WeakPolarHBondContact O-CB 3.26Å; L716-M719 PolarHBondContact O-N 3.19Å; L716-V720 VanDerWaalsContact O-CG2 3.29Å; L716-V720 WeakPolarHBondContact O-CG2 3.35Å; L716-V720 PolarHBondContact O-N 3.4Å
717D93.4Very high92.4Very high73 Ų7356.5 Ų56.539%0.3927%0.272SS..Hα-helixtrans-65.1-42.1177.6-73.5-63.1000110.8R153 D715 M719 V720 D721R153-D717 IonicContact CZ-OD1 3Å; R153-D717 IonicContact CZ-OD2 2.96Å; R153-D717 VanDerWaalsContact NH1-CG 3.31Å; R153-D717 IonicContact NH1-OD1 2.93Å; R153-D717 PolarHBondContact NH1-OD1 3.33Å; R153-D717 IonicContact NH1-OD2 3.22Å; R153-D717 PolarHBondContact NH1-OD2 3.09Å; R153-D717 IonicContact NH2-OD1 2.8Å; R153-D717 PolarHBondContact NH2-OD1 3.23Å; R153-D717 IonicContact NH2-OD2 3.61Å; D715-D717 VanDerWaalsContact C-N 3.27Å; D715-D717 PolarHBondContact O-N 2.96Å; D715-D717 WeakPolarHBondContact OD1-CB 3.28Å; D715-D717 PolarHBondContact OD1-N 3.35Å; D717-M719 VanDerWaalsContact C-N 3.29Å; D717-M719 PolarHBondContact O-N 2.9Å; D717-V720 PolarHBondContact O-N 3.05Å; D717-D721 WeakPolarHBondContact O-CB 3.31Å; D717-D721 PolarHBondContact O-N 3.42Å
718V92.9Very high91.7Very high61 Ų6159 Ų5937%0.3729%0.291SS..Hα-helixtrans-63.4-37174.7175.50000111.3D715 L716 K722D715-V718 HydrophobicContact CB-CB 4.05Å; D715-V718 HydrophobicContact CB-CG2 3.81Å; D715-V718 PolarHBondContact O-N 3Å; D715-V718 PolarHBondContact OD1-N 3.42Å; L716-V718 VanDerWaalsContact C-N 3.34Å; V718-K722 HydrophobicContact CG1-CD 4.4Å; V718-K722 WeakPolarHBondContact O-CB 3.48Å; V718-K722 WeakPolarHBondContact O-CG 3Å; V718-K722 PolarHBondContact O-N 3.05Å
719M95Very high90.6Very high0 Ų064.7 Ų64.70%032%0.318CS..Hα-helixtrans-68.4-45177.9-68.4179.3136.900112.3F156 F160 V224 C225 T228 H714 D715 L716 D717 D721 K722 Y723F156-M719 HydrophobicContact CD2-CB 4.01Å; F156-M719 HydrophobicContact CE2-CB 3.91Å; F156-M719 HydrophobicContact CG-CB 4.38Å; F156-M719 HydrophobicContact CZ-CB 4.17Å; F160-M719 HydrophobicContact CE2-CE 3.46Å; F160-M719 VanDerWaalsContact CE2-CE 3.46Å; F160-M719 HydrophobicContact CE2-SD 3.54Å; F160-M719 VanDerWaalsContact CE2-SD 3.54Å; F160-M719 HydrophobicContact CZ-CE 3.48Å; F160-M719 VanDerWaalsContact CZ-CE 3.48Å; F160-M719 HydrophobicContact CZ-SD 4.12Å; V224-M719 HydrophobicContact CG1-CB 4.04Å; V224-M719 HydrophobicContact CG1-CG 4.4Å; V224-M719 WeakPolarHBondContact CG1-O 3.34Å; C225-M719 HydrophobicContact CB-CE 4.32Å; T228-M719 VanDerWaalsContact CB-CE 3.45Å; T228-M719 HydrophobicContact CG2-CE 3.67Å; T228-M719 HydrophobicContact CG2-CG 3.89Å; H714-M719 HydrophobicContact CB-CE 4.27Å; H714-M719 HydrophobicContact CB-SD 4.45Å; D715-M719 WeakPolarHBondContact O-CG 3.45Å; D715-M719 PolarHBondContact O-N 2.85Å; D715-M719 VanDerWaalsContact O-N 3.1Å; L716-M719 HydrophobicContact CD2-SD 4.39Å; L716-M719 WeakPolarHBondContact O-CB 3.26Å; L716-M719 PolarHBondContact O-N 3.19Å; D717-M719 VanDerWaalsContact C-N 3.29Å; D717-M719 PolarHBondContact O-N 2.9Å; M719-D721 VanDerWaalsContact C-N 3.34Å; M719-D721 PolarHBondContact O-N 3.04Å; M719-K722 PolarHBondContact O-N 2.88Å; M719-Y723 WeakPolarHBondContact O-CB 3.49Å; M719-Y723 PolarHBondContact O-N 3.09Å
720V96.1Very high88.5Confident3 Ų371.6 Ų71.62%0.01835%0.354CS..Hα-helixtrans-58.6-47.5174.1171.30000110.3R149 L152 R153 F156 L716 D717 K722 Y723 C724R149-V720 HydrophobicContact CB-CG1 3.68Å; R149-V720 HydrophobicContact CG-CG1 3.6Å; L152-V720 HydrophobicContact CB-CG1 4.32Å; L152-V720 HydrophobicContact CB-CG2 3.9Å; L152-V720 HydrophobicContact CD1-CG1 4.25Å; R153-V720 HydrophobicContact CB-CG2 4.16Å; F156-V720 HydrophobicContact CD2-CG2 3.9Å; F156-V720 HydrophobicContact CE2-CG2 4.02Å; L716-V720 VanDerWaalsContact O-CG2 3.29Å; L716-V720 WeakPolarHBondContact O-CG2 3.35Å; L716-V720 PolarHBondContact O-N 3.4Å; D717-V720 PolarHBondContact O-N 3.05Å; V720-K722 VanDerWaalsContact C-N 3.34Å; V720-K722 PolarHBondContact O-N 2.72Å; V720-Y723 PolarHBondContact O-N 3.39Å; V720-C724 PolarHBondContact O-N 3.42Å; V720-C724 PolarHBondContact O-SG 3.18Å; V720-C724 VanDerWaalsContact O-SG 3.35Å
721D93.9Very high86Confident45 Ų4574.4 Ų74.424%0.24137%0.367CS..Hα-helixtrans-59.9-42176.1-86.1-14.4000112.6R149 D717 M719 R725R149-D721 IonicContact CZ-OD1 3.9Å; R149-D721 IonicContact NH1-OD1 3.94Å; R149-D721 PolarHBondContact NH1-OD1 3.39Å; R149-D721 IonicContact NH2-OD1 3.98Å; R149-D721 PolarHBondContact NH2-OD1 2.68Å; D717-D721 WeakPolarHBondContact O-CB 3.31Å; D717-D721 PolarHBondContact O-N 3.42Å; M719-D721 VanDerWaalsContact C-N 3.34Å; M719-D721 PolarHBondContact O-N 3.04Å; D721-R725 WeakPolarHBondContact O-CB 3.39Å; D721-R725 WeakPolarHBondContact O-CD 3.37Å; D721-R725 WeakPolarHBondContact O-CG 3.45Å; D721-R725 PolarHBondContact O-N 2.87Å
722K93.8Very high83.5Confident64 Ų6476 Ų7628%0.27839%0.385SS..Hα-helixtrans-64.4-44175.7-80.2179.8-176.1178.90111.5V224 T228 V718 M719 V720 R725 L726V224-K722 HydrophobicContact CG1-CB 4.21Å; T228-K722 WeakPolarHBondContact OG1-CD 3.36Å; T228-K722 PolarHBondContact OG1-NZ 2.74Å; T228-K722 VanDerWaalsContact OG1-NZ 3.12Å; V718-K722 HydrophobicContact CG1-CD 4.4Å; V718-K722 WeakPolarHBondContact O-CB 3.48Å; V718-K722 WeakPolarHBondContact O-CG 3Å; V718-K722 PolarHBondContact O-N 3.05Å; M719-K722 PolarHBondContact O-N 2.88Å; V720-K722 VanDerWaalsContact C-N 3.34Å; V720-K722 PolarHBondContact O-N 2.72Å; K722-R725 PolarHBondContact O-N 3.21Å; K722-L726 WeakPolarHBondContact O-CB 3.38Å; K722-L726 VanDerWaalsContact O-CG 3.32Å; K722-L726 WeakPolarHBondContact O-CG 3.38Å; K722-L726 PolarHBondContact O-N 2.84Å
723Y95.4Very high80.8Confident4 Ų483.3 Ų83.32%0.01642%0.418CS..Hα-helixtrans-59.3-52.9179-174.2-80000110.8L152 F156 Q217 Q220 L221 V224 M719 V720 R725 L726 Y727L152-Y723 HydrophobicContact CD1-CD1 3.48Å; L152-Y723 VanDerWaalsContact CD1-CD1 3.48Å; L152-Y723 HydrophobicContact CD1-CE1 4.06Å; L152-Y723 HydrophobicContact CD1-CG 4.13Å; L152-Y723 HydrophobicContact CD2-CD1 3.81Å; L152-Y723 HydrophobicContact CD2-CE1 3.74Å; L152-Y723 HydrophobicContact CD2-CG 4.27Å; L152-Y723 HydrophobicContact CG-CD1 4.32Å; F156-Y723 HydrophobicContact CZ-CD2 4.01Å; F156-Y723 HydrophobicContact CZ-CG 4.29Å; Q217-Y723 WeakPolarHBondContact CG-OH 3.46Å; Q220-Y723 HydrophobicContact CB-CE2 3.8Å; Q220-Y723 PolarHBondContact OE1-OH 2.98Å; L221-Y723 HydrophobicContact CD2-CD2 3.76Å; L221-Y723 HydrophobicContact CD2-CE2 3.63Å; L221-Y723 HydrophobicContact CG-CD2 4.37Å; L221-Y723 HydrophobicContact CG-CE2 3.85Å; V224-Y723 HydrophobicContact CG2-CD2 4.04Å; M719-Y723 WeakPolarHBondContact O-CB 3.49Å; M719-Y723 PolarHBondContact O-N 3.09Å; V720-Y723 PolarHBondContact O-N 3.39Å; Y723-R725 PolarHBondContact O-N 3.22Å; Y723-L726 PolarHBondContact O-N 2.93Å; Y723-L726 VanDerWaalsContact O-N 3.14Å; Y723-Y727 AromaticContact CD2-CD2 3.8Å; Y723-Y727 HydrophobicContact CD2-CD2 3.8Å; Y723-Y727 HydrophobicContact CD2-CE2 4.33Å; Y723-Y727 AromaticContact CE2-CD2 3.81Å; Y723-Y727 HydrophobicContact CE2-CD2 3.81Å; Y723-Y727 HydrophobicContact CE2-CE2 4.43Å; Y723-Y727 HydrophobicContact CG-CD2 4.17Å; Y723-Y727 PolarHBondContact O-N 3.03Å
724C93.1Very high78.2Confident33 Ų3379 Ų7922%0.22342%0.415CS..Hα-helixtrans-60.7-29.5179.6-64.30000113.1V720V720-C724 PolarHBondContact O-N 3.42Å; V720-C724 PolarHBondContact O-SG 3.18Å; V720-C724 VanDerWaalsContact O-SG 3.35Å
725R91.8Very high75.6Confident193 Ų19383.6 Ų83.673%0.72844%0.437SS*.Hα-helixtrans-77.5-36176.6-73.6173.1-170.5174.68.8113.3D721 K722 Y723D721-R725 WeakPolarHBondContact O-CB 3.39Å; D721-R725 WeakPolarHBondContact O-CD 3.37Å; D721-R725 WeakPolarHBondContact O-CG 3.45Å; D721-R725 PolarHBondContact O-N 2.87Å; K722-R725 PolarHBondContact O-N 3.21Å; Y723-R725 PolarHBondContact O-N 3.22Å
726L91.9Very high72.8Confident101 Ų10183.8 Ų83.853%0.52945%0.45SS..Hα-helixtrans-84.7-32.1-177.2-70171.9000112.2V224 K722 Y723V224-L726 HydrophobicContact CG2-CD1 4.3Å; K722-L726 WeakPolarHBondContact O-CB 3.38Å; K722-L726 VanDerWaalsContact O-CG 3.32Å; K722-L726 WeakPolarHBondContact O-CG 3.38Å; K722-L726 PolarHBondContact O-N 2.84Å; Y723-L726 PolarHBondContact O-N 2.93Å; Y723-L726 VanDerWaalsContact O-N 3.14Å
727Y90.6Very high69.9Low60 Ų6091.4 Ų91.424%0.23548%0.484CS..SBendtrans-131.168-174.7-48.4-64.5000109.8Q220 D223 V224 Y723Q220-Y727 HydrophobicContact CB-CD1 4.45Å; Q220-Y727 HydrophobicContact CB-CD2 3.84Å; Q220-Y727 HydrophobicContact CB-CE1 4.25Å; Q220-Y727 HydrophobicContact CB-CE2 3.61Å; Q220-Y727 HydrophobicContact CB-CG 4.26Å; Q220-Y727 HydrophobicContact CG-CD1 3.84Å; Q220-Y727 HydrophobicContact CG-CD2 4.15Å; Q220-Y727 HydrophobicContact CG-CE1 3.64Å; Q220-Y727 HydrophobicContact CG-CE2 3.96Å; Q220-Y727 HydrophobicContact CG-CG 4.09Å; D223-Y727 PolarHBondContact OD2-OH 3.42Å; V224-Y727 HydrophobicContact CG2-CE2 3.9Å; Y723-Y727 AromaticContact CD2-CD2 3.8Å; Y723-Y727 HydrophobicContact CD2-CD2 3.8Å; Y723-Y727 HydrophobicContact CD2-CE2 4.33Å; Y723-Y727 AromaticContact CE2-CD2 3.81Å; Y723-Y727 HydrophobicContact CE2-CD2 3.81Å; Y723-Y727 HydrophobicContact CE2-CE2 4.43Å; Y723-Y727 HydrophobicContact CG-CD2 4.17Å; Y723-Y727 PolarHBondContact O-N 3.03Å
728P80.3Confident67Low85 Ų8595.2 Ų95.255%0.55251%0.505SS*.  trans-60.8141.6171.926.5-32.3000109.7D730P728-D730 PolarHBondContact O-N 3.46Å
729E71.3Confident64.2Low119 Ų11999.1 Ų99.156%0.55653%0.529SS*.  trans-67.3114.9169-61.9-156.8147.200107.1Y148 R202 D731Y148-E729 VanDerWaalsContact CE2-OE1 3.28Å; Y148-E729 WeakPolarHBondContact CE2-OE1 3.33Å; Y148-E729 PolarHBondContact OH-OE1 3.26Å; R202-E729 IonicContact CZ-OE1 3.13Å; R202-E729 VanDerWaalsContact NH2-CD 3.31Å; R202-E729 IonicContact NH2-OE1 2.72Å; R202-E729 PolarHBondContact NH2-OE1 3.14Å; R202-E729 IonicContact NH2-OE2 3.82Å; R202-E729 PolarHBondContact NH2-OE2 2.77Å; R202-E729 VanDerWaalsContact NH2-OE2 3.1Å; E729-D731 PolarHBondContact O-N 3.2Å
730D51.2Low61.4Low147 Ų147101.9 Ų101.979%0.78656%0.557SS**  trans-61131172-76-42.2000108.6P728 P732P728-D730 PolarHBondContact O-N 3.46Å; D730-P732 WeakPolarHBondContact O-CD 3.2Å
731D37.9Very low58.2Low121 Ų121111.1 Ų111.165%0.64760%0.6SS**  trans-61.5119.4178.6-142.7-15.7000108.4E729 E733 A734E729-D731 PolarHBondContact O-N 3.2Å; D731-E733 PolarHBondContact O-N 3.05Å; D731-A734 PolarHBondContact O-N 2.88Å
732P37.1Very low55.4Low113 Ų113116.6 Ų116.673%0.73463%0.629SS**THydrogen-bonded Turntrans-65.31.3-173.523-31.9000114.5D730D730-P732 WeakPolarHBondContact O-CD 3.2Å
733E33.8Very low52.4Low166 Ų166120.4 Ų120.478%0.77666%0.657SS**THydrogen-bonded Turntrans-81.1-11.7174.5-68.4-17016000114.1D731D731-E733 PolarHBondContact O-N 3.05Å
734A32Very low49.2Very low84 Ų84127.3 Ų127.369%0.69469%0.693SS**SBendtrans-85.8-18.1-177.800000115D731D731-A734 PolarHBondContact O-N 2.88Å
735E31.1Very low46.3Very low174 Ų174131.7 Ų131.781%0.81372%0.719SS**THydrogen-bonded Turntrans-88.1-0.5-179.2-69.3-167.3157.300114
736A32.1Very low43.3Very low86 Ų86128.6 Ų128.671%0.71172%0.721SS**THydrogen-bonded Turntrans-86.2-7.4-17800000115
737E33Very low40.4Very low187 Ų187132.9 Ų132.987%0.87474%0.736SS**SBendtrans-108.7-3.2-176.2-73-162.316100116.2
738D32Very low37.5Very low153 Ų153136 Ų13682%0.81876%0.76SS**  trans-122.233.2-176.5-142.816.6000114.9
739V35.9Very low35.3Very low144 Ų144143.2 Ų143.287%0.87379%0.792SS**  trans-98.881.5162.3-171.40000108.9
740G34.9Very low33.5Very low57 Ų57144.4 Ų144.459%0.58880%0.804SS**  trans-18068.8172.400000114
741E30.3Very low32.6Very low198 Ų198144.3 Ų144.393%0.92581%0.805SS**  -178.8124.9128.5-98.9169.6-173.900111.8
742D34.7Very low32.3Very low159 Ų159145.6 Ų145.685%0.8581%0.813SS**  trans-51.8133.4175-71.8-56.2000113.5
743V29.8Very low32Very low145 Ų145147.5 Ų147.588%0.87982%0.818SS**  trans-135.5120.8149.2-174.80000111.7
744I29.4Very low31.9Very low148 Ų148146.3 Ų146.376%0.75982%0.821SS**  trans-59.5129.6-176.7-67.7158.5000112.4T746I744-T746 PolarHBondContact O-N 3.1Å
745V31.8Very low31.9Very low126 Ų126150.5 Ų150.576%0.76483%0.829SS**  trans-57.8124.9166.4176.50000110.5
746T27.9Very low32Very low127 Ų127148.8 Ų148.878%0.77983%0.83SS**  trans-123.6106.8155.23.30000110.2I744I744-T746 PolarHBondContact O-N 3.1Å
747K31.7Very low31.9Very low192 Ų192153.6 Ų153.684%0.83584%0.839SS**  trans-62.8133.2159.7-81.9177.2170176.80109.1
748V29Very low31.9Very low125 Ų125150.8 Ų150.876%0.75884%0.836SS**  trans-140.7114.4153.4-175.50000109.3
749I35.1Very low31.9Very low236 Ų236150.6 Ų150.6100%1.2184%0.838SS**  trans31.30146.2-51.3177.1000117.9

Retrieved 749 of 749 residues in 538.8 ms (Link to these results)

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