A0A087XNI7_POEFO Loading...

Netrin receptor UNC5

Receptor for netrin required for axon guidance. Mediates axon repulsion of neuronal growth cones in the developing nervous system upon ligand binding.

AlphaFold DB , UniProt , Accession A0A087XNI7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 664 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
1P75.5Confident87.5Confident126 Ų12683.5 Ų83.582%0.81845%0.446SS*.  0145.801.7-23.6000108.4H34P1-H34 WeakPolarHBondContact CB-O 3.27Å
2V78.3Confident87.9Confident62 Ų6282.6 Ų82.638%0.37643%0.431SS..BIsolated β-bridgetrans-108.3112.6166.1-179.50000105.5P30 P32 R33 G36V2-P30 HydrophobicContact CG1-CB 4.37Å; V2-P30 HydrophobicContact CG1-CG 4.02Å; V2-P32 CarbonylContact O-C 3.55Å; V2-P32 VanDerWaalsContact O-CA 3.27Å; V2-P32 WeakPolarHBondContact O-CA 3.26Å; V2-R33 HydrophobicContact CB-CB 4.17Å; V2-R33 HydrophobicContact CG2-CB 4.44Å; V2-R33 PolarHBondContact N-O 3.06Å; V2-R33 PolarHBondContact O-N 3.49Å; V2-G36 WeakPolarHBondContact O-CA 3.3Å
3D86.3Confident88Confident83 Ų8382.2 Ų82.244%0.44444%0.435SS..  trans-76148.5176.8-66.8-14.3000109.4G36 K37D3-G36 WeakPolarHBondContact OD1-CA 3.38Å; D3-K37 HydrophobicContact CB-CB 4.35Å; D3-K37 PolarHBondContact OD1-N 3.46Å
4G87.5Confident88Confident17 Ų1786.2 Ų86.218%0.17546%0.463CS..  trans-73.3134.1-175.200000112.4P30 K37 C39G4-P30 CarbonylContact C-O 3.52Å; G4-P30 VanDerWaalsContact CA-O 3.31Å; G4-P30 WeakPolarHBondContact CA-O 3.15Å; G4-K37 PolarHBondContact N-O 3.04Å; G4-C39 PolarHBondContact O-SG 2.95Å
5G87.7Confident88Confident18 Ų1883.7 Ų83.719%0.18646%0.455CS..  trans-104.8143.3168.800000112.1C27 N28 S29 P30 C39G5-C27 CarbonylContact O-C 3.58Å; G5-C27 WeakPolarHBondContact O-CA 3.39Å; G5-N28 PolarHBondContact O-N 3.26Å; G5-S29 CarbonylContact C-O 3.57Å; G5-S29 VanDerWaalsContact CA-O 3.32Å; G5-S29 WeakPolarHBondContact CA-O 3.43Å; G5-S29 CarbonylContact O-C 3.41Å; G5-S29 PolarHBondContact O-N 2.77Å; G5-S29 VanDerWaalsContact O-N 3.07Å; G5-P30 PolarHBondContact N-O 2.92Å; G5-C39 PolarHBondContact O-SG 3.4Å; G5-C39 VanDerWaalsContact O-SG 3.39Å
6W91.7Very high87.6Confident66 Ų6681.7 Ų81.725%0.2545%0.449CS..PPolyproline II helixtrans-73.2136.1173-75.5119.3000110.5R25 C27 C39 E40 G41W6-R25 HydrophobicContact CD2-CG 4.2Å; W6-R25 HydrophobicContact CE3-CB 4.42Å; W6-R25 HydrophobicContact CE3-CG 3.59Å; W6-R25 HydrophobicContact CZ3-CG 3.94Å; W6-C27 HydrophobicContact CE3-CB 4.15Å; W6-C27 HydrophobicContact CZ3-CB 4Å; W6-C39 HydrophobicContact CD2-CB 3.59Å; W6-C39 HydrophobicContact CE3-CB 4.13Å; W6-C39 HydrophobicContact CG-CB 4.02Å; W6-C39 HydrophobicContact CH2-CB 4.06Å; W6-C39 HydrophobicContact CZ2-CB 3.52Å; W6-C39 HydrophobicContact CZ3-CB 4.35Å; W6-E40 PolarHBondContact NE1-O 2.79Å; W6-G41 WeakPolarHBondContact CZ2-O 3.22Å
7D89.6Confident87Confident66 Ų6683.9 Ų83.935%0.35347%0.472SS..PPolyproline II helixtrans-69.9170.9165.6-134.93.3000111.5E26 N28 S29D7-E26 PolarHBondContact N-O 3.34Å; D7-N28 WeakPolarHBondContact CB-OD1 3.42Å; D7-N28 PolarHBondContact OD2-ND2 3.13Å; D7-N28 VanDerWaalsContact OD2-ND2 3.16Å; D7-N28 PolarHBondContact OD2-OD1 3.47Å; D7-N28 VanDerWaalsContact OD2-OD1 3.13Å; D7-S29 WeakPolarHBondContact OD1-CB 3.09Å; D7-S29 PolarHBondContact OD1-OG 3.28Å
8E90.3Very high86.6Confident175 Ų17587.7 Ų87.782%0.81849%0.485SS*.PPolyproline II helixtrans-59.5152167.8-66.5-166.2156.900111.5
9W93.7Very high86.5Confident75 Ų7584.1 Ų84.128%0.28447%0.466SS..PPolyproline II helixtrans-72.9140.4175.9-73.7100.6000110.6R23 R25 A45W9-R23 HydrophobicContact CD2-CG 4.25Å; W9-R23 HydrophobicContact CE3-CB 4.39Å; W9-R23 HydrophobicContact CE3-CG 3.67Å; W9-R23 HydrophobicContact CZ3-CG 4.12Å; W9-R25 HydrophobicContact CD2-CB 4.03Å; W9-R25 HydrophobicContact CD2-CG 3.97Å; W9-R25 HydrophobicContact CE3-CB 3.82Å; W9-R25 HydrophobicContact CE3-CG 3.72Å; W9-R25 HydrophobicContact CG-CB 4.47Å; W9-R25 HydrophobicContact CH2-CG 3.86Å; W9-R25 HydrophobicContact CZ2-CG 4.1Å; W9-R25 VanDerWaalsContact CZ2-CZ 3.43Å; W9-R25 HydrophobicContact CZ3-CB 4.24Å; W9-R25 HydrophobicContact CZ3-CG 3.66Å; W9-A45 HydrophobicContact CH2-CB 3.73Å; W9-A45 HydrophobicContact CZ2-CB 4.38Å; W9-A45 HydrophobicContact CZ3-CB 3.91Å
10S90.8Very high86.6Confident51 Ų5184 Ų8436%0.35746%0.462SS..PPolyproline II helixtrans-56.5159.2164.677.40000111.2S24S10-S24 WeakPolarHBondContact CB-O 3.36Å; S10-S24 PolarHBondContact N-O 3.45Å; S10-S24 PolarHBondContact OG-N 3.03Å; S10-S24 PolarHBondContact OG-O 2.99Å
11E91.2Very high86.8Confident180 Ų18084 Ų8484%0.84146%0.455SS*.PPolyproline II helixtrans-55.3154.3162.7-62.9-166.4153.100111
12W92.4Very high87.6Confident72 Ų7282 Ų8227%0.27344%0.435SS..PPolyproline II helixtrans-71.7137.2174.2-71.4106.7000110.6R21 Q22 R23 A45 E47W12-R21 HydrophobicContact CD2-CG 4.12Å; W12-R21 HydrophobicContact CE3-CB 4.22Å; W12-R21 HydrophobicContact CE3-CG 3.68Å; W12-R21 HydrophobicContact CZ3-CG 4.13Å; W12-R21 WeakPolarHBondContact CZ3-O 3.28Å; W12-Q22 WeakPolarHBondContact CA-O 3.34Å; W12-R23 HydrophobicContact CD2-CB 4.01Å; W12-R23 HydrophobicContact CD2-CG 3.94Å; W12-R23 VanDerWaalsContact CE2-CD 3.47Å; W12-R23 HydrophobicContact CE3-CB 3.78Å; W12-R23 HydrophobicContact CE3-CG 3.71Å; W12-R23 HydrophobicContact CH2-CG 3.8Å; W12-R23 HydrophobicContact CZ2-CG 4.02Å; W12-R23 HydrophobicContact CZ3-CB 4.17Å; W12-R23 HydrophobicContact CZ3-CG 3.64Å; W12-A45 HydrophobicContact CH2-CB 4.3Å; W12-E47 HydrophobicContact CH2-CB 3.56Å; W12-E47 HydrophobicContact CZ2-CB 4.22Å; W12-E47 WeakPolarHBondContact CZ2-OE2 3.5Å; W12-E47 HydrophobicContact CZ3-CB 3.89Å
13T89.1Confident88.3Confident78 Ų7882.8 Ų82.848%0.47943%0.431SS..PPolyproline II helixtrans-60.3154.1169.463.20000111.1R21 Q22T13-R21 WeakPolarHBondContact O-CB 3.39Å; T13-Q22 WeakPolarHBondContact CG2-O 3.47Å; T13-Q22 PolarHBondContact N-O 3.31Å; T13-Q22 PolarHBondContact OG1-N 3.31Å; T13-Q22 PolarHBondContact OG1-O 3.35Å
14V87.4Confident88.7Confident138 Ų13881.6 Ų81.684%0.83643%0.429SS*.PPolyproline II helixtrans-51.2143.3162.8-174.60000109S16V14-S16 PolarHBondContact O-N 3.26Å
15C88.3Confident88.9Confident49 Ų4983.2 Ų83.233%0.33143%0.43SS..PPolyproline II helixtrans-66.1133.6-176.3-165.20000112C49C15-C49 HydrophobicContact CB-CB 3.63Å; C15-C49 WeakPolarHBondContact CB-SG 3.37Å; C15-C49 WeakPolarHBondContact SG-CB 3.3Å; C15-C49 CovalentContact SG-SG 2.01Å; C15-C49 PolarHBondContact SG-SG 2.78Å
16S82.5Confident89.1Confident51 Ų5188.8 Ų88.836%0.35745%0.451SS..PPolyproline II helixtrans-74.8166.2179.365.60000112.4V14 Q18 C19 E20V14-S16 PolarHBondContact O-N 3.26Å; S16-Q18 PolarHBondContact O-N 2.93Å; S16-Q18 VanDerWaalsContact O-N 3.11Å; S16-Q18 PolarHBondContact OG-N 3.17Å; S16-C19 WeakPolarHBondContact O-CA 3.41Å; S16-C19 PolarHBondContact O-N 3Å; S16-E20 WeakPolarHBondContact CB-O 3.28Å; S16-E20 PolarHBondContact N-O 3.06Å; S16-E20 PolarHBondContact OG-N 3.46Å; S16-E20 PolarHBondContact OG-O 3.38Å
17S77.3Confident88.8Confident120 Ų12087.4 Ų87.484%0.83945%0.451SS*.THydrogen-bonded Turntrans-63.9-9.4171.251.60000114.3C19S17-C19 VanDerWaalsContact C-N 3.34Å
18Q79.9Confident88.7Confident151 Ų15187.3 Ų87.371%0.70645%0.451SS*.THydrogen-bonded Turntrans-94.69.5171.4-66.4178.7-26.200112.2S16 E20S16-Q18 PolarHBondContact O-N 2.93Å; S16-Q18 VanDerWaalsContact O-N 3.11Å; S16-Q18 PolarHBondContact OG-N 3.17Å; Q18-E20 PolarHBondContact O-N 3.5Å
19C84.4Confident88.3Confident20 Ų2081.8 Ų81.814%0.13543%0.431CS..SBendtrans63.518.1179.6-59.10000115.1S16 S17 N48 C49 T50 C54S16-C19 WeakPolarHBondContact O-CA 3.41Å; S16-C19 PolarHBondContact O-N 3Å; S17-C19 VanDerWaalsContact C-N 3.34Å; C19-N48 WeakPolarHBondContact O-CA 3.37Å; C19-N48 PolarHBondContact O-OD1 3.29Å; C19-C49 PolarHBondContact O-N 2.96Å; C19-T50 HydrophobicContact CB-CG2 4.1Å; C19-C54 HydrophobicContact CB-CB 3.37Å; C19-C54 WeakPolarHBondContact CB-SG 3.45Å; C19-C54 WeakPolarHBondContact SG-CB 3.25Å; C19-C54 CovalentContact SG-SG 2.03Å; C19-C54 PolarHBondContact SG-SG 2.79Å
20E88.7Confident87.8Confident82 Ų8281.6 Ų81.638%0.38344%0.44SS..EExtended strand (participates in β ladder)trans-103.7141.4173.2-65.8-174.5166.700111.5S16 Q18 T46 E47S16-E20 WeakPolarHBondContact CB-O 3.28Å; S16-E20 PolarHBondContact N-O 3.06Å; S16-E20 PolarHBondContact OG-N 3.46Å; S16-E20 PolarHBondContact OG-O 3.38Å; Q18-E20 PolarHBondContact O-N 3.5Å; E20-T46 HydrophobicContact CB-CG2 3.77Å; E20-T46 HydrophobicContact CG-CG2 3.98Å; E20-T46 VanDerWaalsContact OE2-CG2 3.3Å; E20-T46 WeakPolarHBondContact OE2-CG2 3.38Å; E20-E47 CarbonylContact C-O 3.46Å; E20-E47 WeakPolarHBondContact CA-O 3.43Å
21R90.4Very high87.6Confident83 Ų8381.4 Ų81.431%0.31344%0.442SS..EExtended strand (participates in β ladder)trans-114150.6164.962.2177.8-172.4-171.5-1.8110.2W12 T13 T46 E47 C49W12-R21 HydrophobicContact CD2-CG 4.12Å; W12-R21 HydrophobicContact CE3-CB 4.22Å; W12-R21 HydrophobicContact CE3-CG 3.68Å; W12-R21 HydrophobicContact CZ3-CG 4.13Å; W12-R21 WeakPolarHBondContact CZ3-O 3.28Å; T13-R21 WeakPolarHBondContact O-CB 3.39Å; R21-T46 WeakPolarHBondContact O-CA 3Å; R21-E47 HydrophobicContact CG-CB 4.28Å; R21-E47 IonicContact CZ-OE2 3.41Å; R21-E47 PolarHBondContact N-O 3.41Å; R21-E47 IonicContact NE-OE2 3.45Å; R21-E47 PolarHBondContact NE-OE2 2.86Å; R21-E47 IonicContact NH2-OE2 2.67Å; R21-E47 PolarHBondContact NH2-OE2 2.98Å; R21-E47 PolarHBondContact O-N 3.5Å; R21-C49 HydrophobicContact CB-CB 4.41Å; R21-C49 HydrophobicContact CG-CB 4.16Å
22Q92.8Very high87.4Confident84 Ų8475.2 Ų75.239%0.39342%0.417SS..EExtended strand (participates in β ladder)trans-127.4151.7-176.8-64.3-173.53.900112.1W12 T13 A45 T46W12-Q22 WeakPolarHBondContact CA-O 3.34Å; T13-Q22 WeakPolarHBondContact CG2-O 3.47Å; T13-Q22 PolarHBondContact N-O 3.31Å; T13-Q22 PolarHBondContact OG1-N 3.31Å; T13-Q22 PolarHBondContact OG1-O 3.35Å; Q22-A45 CarbonylContact C-O 3.57Å; Q22-A45 VanDerWaalsContact CA-O 3.3Å; Q22-A45 WeakPolarHBondContact CA-O 2.95Å; Q22-T46 HydrophobicContact CG-CG2 3.94Å
23R93.6Very high86.9Confident80 Ų8080 Ų8030%0.30244%0.435SS..EExtended strand (participates in β ladder)trans-141.5159.1168.764.8177.7178174.1-5.6110.9W9 W12 K44 A45W9-R23 HydrophobicContact CD2-CG 4.25Å; W9-R23 HydrophobicContact CE3-CB 4.39Å; W9-R23 HydrophobicContact CE3-CG 3.67Å; W9-R23 HydrophobicContact CZ3-CG 4.12Å; W12-R23 HydrophobicContact CD2-CB 4.01Å; W12-R23 HydrophobicContact CD2-CG 3.94Å; W12-R23 VanDerWaalsContact CE2-CD 3.47Å; W12-R23 HydrophobicContact CE3-CB 3.78Å; W12-R23 HydrophobicContact CE3-CG 3.71Å; W12-R23 HydrophobicContact CH2-CG 3.8Å; W12-R23 HydrophobicContact CZ2-CG 4.02Å; W12-R23 HydrophobicContact CZ3-CB 4.17Å; W12-R23 HydrophobicContact CZ3-CG 3.64Å; R23-K44 WeakPolarHBondContact O-CA 3.37Å; R23-A45 HydrophobicContact CG-CB 4.08Å; R23-A45 PolarHBondContact N-O 2.91Å; R23-A45 PolarHBondContact O-N 3.22Å
24S93.5Very high86.6Confident58 Ų5883.6 Ų83.641%0.40645%0.446SS..EExtended strand (participates in β ladder)trans-135.5156.2-177.850.10000113.1S10 S43S10-S24 WeakPolarHBondContact CB-O 3.36Å; S10-S24 PolarHBondContact N-O 3.45Å; S10-S24 PolarHBondContact OG-N 3.03Å; S10-S24 PolarHBondContact OG-O 2.99Å; S24-S43 CarbonylContact C-O 3.51Å; S24-S43 WeakPolarHBondContact CA-O 3.47Å; S24-S43 WeakPolarHBondContact CB-O 3.29Å
25R92.6Very high86.4Confident50 Ų5089.1 Ų89.119%0.18945%0.452CS..  trans-141.6153.9173.660.5175.6176179.4-0.5110.2W6 W9 S42 S43W6-R25 HydrophobicContact CD2-CG 4.2Å; W6-R25 HydrophobicContact CE3-CB 4.42Å; W6-R25 HydrophobicContact CE3-CG 3.59Å; W6-R25 HydrophobicContact CZ3-CG 3.94Å; W9-R25 HydrophobicContact CD2-CB 4.03Å; W9-R25 HydrophobicContact CD2-CG 3.97Å; W9-R25 HydrophobicContact CE3-CB 3.82Å; W9-R25 HydrophobicContact CE3-CG 3.72Å; W9-R25 HydrophobicContact CG-CB 4.47Å; W9-R25 HydrophobicContact CH2-CG 3.86Å; W9-R25 HydrophobicContact CZ2-CG 4.1Å; W9-R25 VanDerWaalsContact CZ2-CZ 3.43Å; W9-R25 HydrophobicContact CZ3-CB 4.24Å; W9-R25 HydrophobicContact CZ3-CG 3.66Å; R25-S42 PolarHBondContact NE-O 3.37Å; R25-S42 VanDerWaalsContact NE-O 3.08Å; R25-S42 PolarHBondContact NH2-O 2.9Å; R25-S43 PolarHBondContact N-O 3.46Å; R25-S43 WeakPolarHBondContact O-CB 3.31Å
26E90.5Very high86Confident135 Ų13587.6 Ų87.663%0.63144%0.444SS*.  trans-108.5158.5178.9-64.8-164.7169.900112.3D7 N28D7-E26 PolarHBondContact N-O 3.34Å; E26-N28 HydrophobicContact CB-CB 4.49Å; E26-N28 PolarHBondContact O-N 3.05Å
27C86.9Confident85.9Confident38 Ų3892.5 Ų92.526%0.25746%0.459SS..SBendtrans-99.362.9-180-178.50000110G5 W6 P32 C39G5-C27 CarbonylContact O-C 3.58Å; G5-C27 WeakPolarHBondContact O-CA 3.39Å; W6-C27 HydrophobicContact CE3-CB 4.15Å; W6-C27 HydrophobicContact CZ3-CB 4Å; C27-P32 WeakPolarHBondContact O-CD 3.41Å; C27-C39 VanDerWaalsContact CA-SG 3.52Å; C27-C39 HydrophobicContact CB-CB 3.82Å; C27-C39 WeakPolarHBondContact CB-SG 3.47Å; C27-C39 WeakPolarHBondContact SG-CB 3.48Å; C27-C39 PolarHBondContact SG-N 3.32Å; C27-C39 CovalentContact SG-SG 2.03Å; C27-C39 PolarHBondContact SG-SG 3.02Å
28N86.6Confident86.3Confident63 Ų6392.2 Ų92.234%0.33745%0.453SS..  trans-125.5-5.9-168.364.52.4000113.7G5 D7 E26 P30 A31G5-N28 PolarHBondContact O-N 3.26Å; D7-N28 WeakPolarHBondContact CB-OD1 3.42Å; D7-N28 PolarHBondContact OD2-ND2 3.13Å; D7-N28 VanDerWaalsContact OD2-ND2 3.16Å; D7-N28 PolarHBondContact OD2-OD1 3.47Å; D7-N28 VanDerWaalsContact OD2-OD1 3.13Å; E26-N28 HydrophobicContact CB-CB 4.49Å; E26-N28 PolarHBondContact O-N 3.05Å; N28-P30 CarbonylContact O-C 3.49Å; N28-P30 VanDerWaalsContact O-CA 3.29Å; N28-P30 WeakPolarHBondContact O-CA 3.5Å; N28-A31 PolarHBondContact O-N 2.91Å
29S82.6Confident86.7Confident59 Ų5986 Ų8641%0.41343%0.425SS..THydrogen-bonded Turntrans-121.972.1-169.3-77.70000112.7G5 D7G5-S29 CarbonylContact C-O 3.57Å; G5-S29 VanDerWaalsContact CA-O 3.32Å; G5-S29 WeakPolarHBondContact CA-O 3.43Å; G5-S29 CarbonylContact O-C 3.41Å; G5-S29 PolarHBondContact O-N 2.77Å; G5-S29 VanDerWaalsContact O-N 3.07Å; D7-S29 WeakPolarHBondContact OD1-CB 3.09Å; D7-S29 PolarHBondContact OD1-OG 3.28Å
30P83.2Confident86.6Confident72 Ų7293.7 Ų93.747%0.46846%0.459SS..THydrogen-bonded Turncis-89.3156.6-1.735.5-35.2000112.9V2 G4 G5 N28V2-P30 HydrophobicContact CG1-CB 4.37Å; V2-P30 HydrophobicContact CG1-CG 4.02Å; G4-P30 CarbonylContact C-O 3.52Å; G4-P30 VanDerWaalsContact CA-O 3.31Å; G4-P30 WeakPolarHBondContact CA-O 3.15Å; G5-P30 PolarHBondContact N-O 2.92Å; N28-P30 CarbonylContact O-C 3.49Å; N28-P30 VanDerWaalsContact O-CA 3.29Å; N28-P30 WeakPolarHBondContact O-CA 3.5Å
31A85.7Confident86.4Confident47 Ų4792.7 Ų92.739%0.38847%0.471SS..PPolyproline II helixtrans-70.1138177.300000112.1N28 R33N28-A31 PolarHBondContact O-N 2.91Å; A31-R33 PolarHBondContact O-N 3.31Å
32P86.5Confident86.3Confident49 Ų4992 Ų9232%0.31848%0.479SS..PPolyproline II helixtrans-65.1131-175.923.8-32.4000112.7V2 C27V2-P32 CarbonylContact O-C 3.55Å; V2-P32 VanDerWaalsContact O-CA 3.27Å; V2-P32 WeakPolarHBondContact O-CA 3.26Å; C27-P32 WeakPolarHBondContact O-CD 3.41Å
33R83.4Confident86.1Confident173 Ų17391 Ų9165%0.65348%0.481SS*.BIsolated β-bridgetrans-137.3156.4-177.2-75.5-177.7152.9-170-5.5112.9V2 A31 R35 G36V2-R33 HydrophobicContact CB-CB 4.17Å; V2-R33 HydrophobicContact CG2-CB 4.44Å; V2-R33 PolarHBondContact N-O 3.06Å; V2-R33 PolarHBondContact O-N 3.49Å; A31-R33 PolarHBondContact O-N 3.31Å; R33-R35 PolarHBondContact O-N 3.48Å; R33-G36 PolarHBondContact O-N 3.4Å
34H82.2Confident86Confident154 Ų15493.6 Ų93.671%0.71350%0.495SS*.THydrogen-bonded Turntrans51.651.2177.7-53.5-77.2000113.8P1 G36P1-H34 WeakPolarHBondContact CB-O 3.27Å; H34-G36 VanDerWaalsContact C-N 3.26Å; H34-G36 PolarHBondContact O-N 3.36Å
35R82.6Confident85.8Confident253 Ų25392 Ų9296%0.95549%0.485SS*.THydrogen-bonded Turntrans58.229.3-175-54.8-175.7-178.5-176.40.8114.7R33R33-R35 PolarHBondContact O-N 3.48Å
36G80.6Confident85.7Confident17 Ų1793.1 Ų93.118%0.17550%0.497CS..PPolyproline II helixtrans-68.7159.9166.400000112.3V2 D3 R33 H34V2-G36 WeakPolarHBondContact O-CA 3.3Å; D3-G36 WeakPolarHBondContact OD1-CA 3.38Å; R33-G36 PolarHBondContact O-N 3.4Å; H34-G36 VanDerWaalsContact C-N 3.26Å; H34-G36 PolarHBondContact O-N 3.36Å
37K81Confident85.6Confident155 Ų15590.6 Ų90.667%0.67449%0.486SS*.PPolyproline II helixtrans-68.2144.3-179-63.7179.3179.1-179.60111.2D3 G4D3-K37 HydrophobicContact CB-CB 4.35Å; D3-K37 PolarHBondContact OD1-N 3.46Å; G4-K37 PolarHBondContact N-O 3.04Å
38T85.8Confident85.5Confident114 Ų11492.5 Ų92.570%0.69949%0.493SS*.PPolyproline II helixtrans-70.8152.8165.247.10000110.4
39C86.6Confident85.3Confident19 Ų1991.9 Ų91.913%0.12849%0.493CS..PPolyproline II helixtrans-58.4139.1176.2-51.20000111.6G4 G5 W6 C27G4-C39 PolarHBondContact O-SG 2.95Å; G5-C39 PolarHBondContact O-SG 3.4Å; G5-C39 VanDerWaalsContact O-SG 3.39Å; W6-C39 HydrophobicContact CD2-CB 3.59Å; W6-C39 HydrophobicContact CE3-CB 4.13Å; W6-C39 HydrophobicContact CG-CB 4.02Å; W6-C39 HydrophobicContact CH2-CB 4.06Å; W6-C39 HydrophobicContact CZ2-CB 3.52Å; W6-C39 HydrophobicContact CZ3-CB 4.35Å; C27-C39 VanDerWaalsContact CA-SG 3.52Å; C27-C39 HydrophobicContact CB-CB 3.82Å; C27-C39 WeakPolarHBondContact CB-SG 3.47Å; C27-C39 WeakPolarHBondContact SG-CB 3.48Å; C27-C39 PolarHBondContact SG-N 3.32Å; C27-C39 CovalentContact SG-SG 2.03Å; C27-C39 PolarHBondContact SG-SG 3.02Å
40E83.5Confident85Confident183 Ų18391.1 Ų91.186%0.85549%0.486SS*.PPolyproline II helixtrans-95140.1-177.2-162.5163.7-16400110.9W6W6-E40 PolarHBondContact NE1-O 2.79Å
41G84.9Confident84.3Confident60 Ų6095.3 Ų95.362%0.61950%0.504SS*.SBendtrans100.2-176.5-173.100000114.2W6W6-G41 WeakPolarHBondContact CZ2-O 3.22Å
42S86.8Confident83.3Confident70 Ų7095.9 Ų95.949%0.4952%0.515SS..  trans-83.5146.7-178.563.80000112.9R25 K44R25-S42 PolarHBondContact NE-O 3.37Å; R25-S42 VanDerWaalsContact NE-O 3.08Å; R25-S42 PolarHBondContact NH2-O 2.9Å; S42-K44 VanDerWaalsContact C-N 3.34Å; S42-K44 VanDerWaalsContact CB-O 3.25Å; S42-K44 WeakPolarHBondContact CB-O 3.32Å; S42-K44 PolarHBondContact OG-O 3.37Å
43S89.2Confident82.2Confident62 Ų62100.7 Ų100.743%0.43454%0.537SS..SBendtrans-85.2-6.3168.954.10000113.3S24 R25S24-S43 CarbonylContact C-O 3.51Å; S24-S43 WeakPolarHBondContact CA-O 3.47Å; S24-S43 WeakPolarHBondContact CB-O 3.29Å; R25-S43 PolarHBondContact N-O 3.46Å; R25-S43 WeakPolarHBondContact O-CB 3.31Å
44K91.1Very high81.7Confident135 Ų13594.8 Ų94.859%0.58752%0.522SS*.EExtended strand (participates in β ladder)trans-131.6144.4175.2-62.3-169.9178.3-171.80110.2R23 S42R23-K44 WeakPolarHBondContact O-CA 3.37Å; S42-K44 VanDerWaalsContact C-N 3.34Å; S42-K44 VanDerWaalsContact CB-O 3.25Å; S42-K44 WeakPolarHBondContact CB-O 3.32Å; S42-K44 PolarHBondContact OG-O 3.37Å
45A90.3Very high80.8Confident24 Ų2493.8 Ų93.820%0.19853%0.527CS..EExtended strand (participates in β ladder)trans-129.6141.7172.300000109.4W9 W12 Q22 R23W9-A45 HydrophobicContact CH2-CB 3.73Å; W9-A45 HydrophobicContact CZ2-CB 4.38Å; W9-A45 HydrophobicContact CZ3-CB 3.91Å; W12-A45 HydrophobicContact CH2-CB 4.3Å; Q22-A45 CarbonylContact C-O 3.57Å; Q22-A45 VanDerWaalsContact CA-O 3.3Å; Q22-A45 WeakPolarHBondContact CA-O 2.95Å; R23-A45 HydrophobicContact CG-CB 4.08Å; R23-A45 PolarHBondContact N-O 2.91Å; R23-A45 PolarHBondContact O-N 3.22Å
46T90.4Very high79.3Confident73 Ų7389.4 Ų89.445%0.44852%0.517SS..EExtended strand (participates in β ladder)trans-124.1140.6177.9-53.30000108.5E20 R21 Q22E20-T46 HydrophobicContact CB-CG2 3.77Å; E20-T46 HydrophobicContact CG-CG2 3.98Å; E20-T46 VanDerWaalsContact OE2-CG2 3.3Å; E20-T46 WeakPolarHBondContact OE2-CG2 3.38Å; R21-T46 WeakPolarHBondContact O-CA 3Å; Q22-T46 HydrophobicContact CG-CG2 3.94Å
47E87.4Confident77.6Confident83 Ų8395.1 Ų95.139%0.38854%0.544SS..EExtended strand (participates in β ladder)trans-143.2145.5-178-175.1-179.9-125.800110.3W12 E20 R21 C49W12-E47 HydrophobicContact CH2-CB 3.56Å; W12-E47 HydrophobicContact CZ2-CB 4.22Å; W12-E47 WeakPolarHBondContact CZ2-OE2 3.5Å; W12-E47 HydrophobicContact CZ3-CB 3.89Å; E20-E47 CarbonylContact C-O 3.46Å; E20-E47 WeakPolarHBondContact CA-O 3.43Å; R21-E47 HydrophobicContact CG-CB 4.28Å; R21-E47 IonicContact CZ-OE2 3.41Å; R21-E47 PolarHBondContact N-O 3.41Å; R21-E47 IonicContact NE-OE2 3.45Å; R21-E47 PolarHBondContact NE-OE2 2.86Å; R21-E47 IonicContact NH2-OE2 2.67Å; R21-E47 PolarHBondContact NH2-OE2 2.98Å; R21-E47 PolarHBondContact O-N 3.5Å; E47-C49 PolarHBondContact O-N 2.81Å
48N84.5Confident75.7Confident77 Ų77100.3 Ų100.341%0.41256%0.559SS.*EExtended strand (participates in β ladder)trans-73.8120173.2-173.6-32.6000109.4C19 T50 D51C19-N48 WeakPolarHBondContact O-CA 3.37Å; C19-N48 PolarHBondContact O-OD1 3.29Å; N48-T50 VanDerWaalsContact C-N 3.29Å; N48-T50 PolarHBondContact O-N 3.07Å; N48-T50 PolarHBondContact OD1-N 3.35Å; N48-T50 PolarHBondContact OD1-OG1 3.41Å; N48-D51 PolarHBondContact OD1-N 2.81Å
49C82.9Confident73.7Confident50 Ų50103.5 Ų103.534%0.33856%0.563SS.*THydrogen-bonded Turntrans-81-7.6-176.4780000114.2C15 C19 R21 E47C15-C49 HydrophobicContact CB-CB 3.63Å; C15-C49 WeakPolarHBondContact CB-SG 3.37Å; C15-C49 WeakPolarHBondContact SG-CB 3.3Å; C15-C49 CovalentContact SG-SG 2.01Å; C15-C49 PolarHBondContact SG-SG 2.78Å; C19-C49 PolarHBondContact O-N 2.96Å; R21-C49 HydrophobicContact CB-CB 4.41Å; R21-C49 HydrophobicContact CG-CB 4.16Å; E47-C49 PolarHBondContact O-N 2.81Å
50T77Confident71.6Confident43 Ų43110.8 Ų110.826%0.26460%0.6SS.*THydrogen-bonded Turntrans-115.17.5-171.561.30000114C19 N48 G52 L53 C54C19-T50 HydrophobicContact CB-CG2 4.1Å; N48-T50 VanDerWaalsContact C-N 3.29Å; N48-T50 PolarHBondContact O-N 3.07Å; N48-T50 PolarHBondContact OD1-N 3.35Å; N48-T50 PolarHBondContact OD1-OG1 3.41Å; T50-G52 PolarHBondContact O-N 3.37Å; T50-G52 VanDerWaalsContact O-N 3.07Å; T50-L53 WeakPolarHBondContact O-CB 3.3Å; T50-L53 PolarHBondContact O-N 2.81Å; T50-C54 HydrophobicContact CG2-CB 4.42Å; T50-C54 VanDerWaalsContact OG1-CB 3.29Å; T50-C54 WeakPolarHBondContact OG1-CB 3.19Å; T50-C54 PolarHBondContact OG1-N 3Å
51D67.3Low69.4Low160 Ų160110.1 Ų110.186%0.85660%0.601SS**THydrogen-bonded Turntrans4840177.1-147.314.3000114.3N48N48-D51 PolarHBondContact OD1-N 2.81Å
52G64.8Low67.1Low59 Ų59116.3 Ų116.361%0.60861%0.614SS**THydrogen-bonded Turntrans89.7-4.6178.600000116.5T50 C54T50-G52 PolarHBondContact O-N 3.37Å; T50-G52 VanDerWaalsContact O-N 3.07Å; G52-C54 VanDerWaalsContact C-N 3.29Å; G52-C54 PolarHBondContact O-N 3.45Å
53L64.8Low64.7Low150 Ų150120 Ų12079%0.78563%0.628SS**  trans-79.4-2.3-178.5-62.7174.7000114.8T50 T55T50-L53 WeakPolarHBondContact O-CB 3.3Å; T50-L53 PolarHBondContact O-N 2.81Å; L53-T55 PolarHBondContact O-N 3.4Å; L53-T55 VanDerWaalsContact O-N 3.12Å
54C71.6Confident62.1Low50 Ų50123 Ų12334%0.33864%0.644SS.*  trans-77.695.7-179.3-174.60000113.3C19 T50 G52 Q56C19-C54 HydrophobicContact CB-CB 3.37Å; C19-C54 WeakPolarHBondContact CB-SG 3.45Å; C19-C54 WeakPolarHBondContact SG-CB 3.25Å; C19-C54 CovalentContact SG-SG 2.03Å; C19-C54 PolarHBondContact SG-SG 2.79Å; T50-C54 HydrophobicContact CG2-CB 4.42Å; T50-C54 VanDerWaalsContact OG1-CB 3.29Å; T50-C54 WeakPolarHBondContact OG1-CB 3.19Å; T50-C54 PolarHBondContact OG1-N 3Å; G52-C54 VanDerWaalsContact C-N 3.29Å; G52-C54 PolarHBondContact O-N 3.45Å; C54-Q56 PolarHBondContact O-N 3.24Å
55T63.3Low59.6Low133 Ų133125.7 Ų125.782%0.81666%0.655SS**  trans-98.577178.459.70000112.6L53L53-T55 PolarHBondContact O-N 3.4Å; L53-T55 VanDerWaalsContact O-N 3.12Å
56Q52.7Low56.9Low161 Ų161129.8 Ų129.875%0.75268%0.68SS**  trans-130.3122.7164.9-70.6-161.312.500114.1C54C54-Q56 PolarHBondContact O-N 3.24Å
57N43.5Very low54.1Low137 Ų137134.7 Ų134.773%0.73370%0.698SS**  trans60.575.2158.4-69.2-32000120K59N57-K59 PolarHBondContact O-N 3.29Å
58R42.3Very low51.7Low263 Ų263138.4 Ų138.499%0.99272%0.72SS**SBendtrans-75.233.9154.1-150.2173.9-171.2156.42.4113.2
59K43.3Very low49.5Very low182 Ų182143 Ų14379%0.79174%0.741SS**  trans-149.859.1-171-123.5-170.5-171.5-177.50114N57N57-K59 PolarHBondContact O-N 3.29Å
60L43.1Very low47.6Very low172 Ų172146.2 Ų146.290%0.90175%0.751SS**SBendtrans-172.364.5151.7-108.2160.6000113.6
61L36.1Very low45.9Very low168 Ų168149.8 Ų149.888%0.8878%0.778SS**  trans-158.475.9147.3-157.870.1000111.1
62H36.8Very low45.2Very low190 Ų190146.2 Ų146.288%0.8877%0.766SS**  trans-110.174.7168.2-144.7-50.1000109.1
63D37Very low44.6Very low148 Ų148148.4 Ų148.479%0.79176%0.762SS**  trans-143.365.4166-164.919.1000111.6
64V35.1Very low44.1Very low125 Ų125146 Ų14676%0.75875%0.75SS**  trans-140.4132.7155.3-176.30000107.8
65K37.8Very low43.5Very low192 Ų192148.8 Ų148.884%0.83577%0.765SS**  trans-94.8127.7-176.8176.3-174.5-177.4178.10112.1
66P33.8Very low43.3Very low110 Ų110145.3 Ų145.371%0.71475%0.75SS**  trans-126131.3141.233-20.7000109.9
67Q31.2Very low44Very low176 Ų176143.3 Ų143.382%0.82274%0.744SS**  56.2102.676.4-73.6-161.6-13.800115.3
68N37.6Very low45.4Very low160 Ų160144.7 Ų144.786%0.85674%0.74SS**  trans32.6148.1147.9-79.2-8.8000123.1
69M38.5Very low46.6Very low173 Ų173135.9 Ų135.985%0.85272%0.719SS**  trans64.3134.3-168.6-96.687.291.200111.9
70E42.1Very low48.2Very low119 Ų119129.3 Ų129.356%0.55670%0.703SS**  cis-154.891.929.3-174.483.9-165.700110.2S72 I73E70-S72 VanDerWaalsContact C-N 3.27Å; E70-S72 PolarHBondContact O-N 2.81Å; E70-I73 HydrophobicContact CG-CD1 3.71Å; E70-I73 HydrophobicContact CG-CG1 3.88Å
71S42.5Very low50Low118 Ų118126.6 Ų126.683%0.82569%0.689SS**THydrogen-bonded Turntrans-86.417.4-175.173.30000115
72S50.7Low52.2Low85 Ų85120.2 Ų120.259%0.59466%0.664SS**THydrogen-bonded Turntrans-105.4-14.7-172.1-164.60000114.6E70E70-S72 VanDerWaalsContact C-N 3.27Å; E70-S72 PolarHBondContact O-N 2.81Å
73I52.6Low54.4Low105 Ų105114.2 Ų114.254%0.53865%0.647SS.*Hα-helixtrans-86-37-170.5-64-177.9000112.1E70 V75 A76 L77E70-I73 HydrophobicContact CG-CD1 3.71Å; E70-I73 HydrophobicContact CG-CG1 3.88Å; I73-V75 PolarHBondContact O-N 3.36Å; I73-A76 PolarHBondContact O-N 3.47Å; I73-L77 PolarHBondContact O-N 3.3Å; I73-L77 VanDerWaalsContact O-N 3.13Å
74D54.5Low56.8Low98 Ų98108.8 Ų108.852%0.52463%0.626SS.*Hα-helixtrans-61.3-41.8-178.7-70.8-41.1000112.6A76 L77 Y78D74-A76 VanDerWaalsContact C-N 3.29Å; D74-A76 PolarHBondContact O-N 2.95Å; D74-L77 PolarHBondContact O-N 2.86Å; D74-Y78 HydrophobicContact CB-CD2 4.25Å; D74-Y78 HydrophobicContact CB-CE2 4.22Å; D74-Y78 WeakPolarHBondContact O-CD2 3.37Å; D74-Y78 PolarHBondContact O-N 3.27Å
75V60.2Low59.4Low109 Ų109107.9 Ų107.966%0.66162%0.616SS**Hα-helixtrans-62.1-39-179.2-175.30000111.2I73 S79I73-V75 PolarHBondContact O-N 3.36Å; V75-S79 VanDerWaalsContact O-CB 3.27Å; V75-S79 WeakPolarHBondContact O-CB 3.05Å; V75-S79 PolarHBondContact O-N 2.91Å; V75-S79 PolarHBondContact O-OG 2.75Å
76A58.9Low61.9Low61 Ų61102.9 Ų102.950%0.50460%0.602SS.*Hα-helixtrans-65.2-46.3175.200000111.4I73 D74 S79 G80I73-A76 PolarHBondContact O-N 3.47Å; D74-A76 VanDerWaalsContact C-N 3.29Å; D74-A76 PolarHBondContact O-N 2.95Å; A76-S79 PolarHBondContact O-N 3.11Å; A76-S79 PolarHBondContact O-OG 2.94Å; A76-G80 PolarHBondContact O-N 2.93Å
77L66.2Low64.5Low119 Ų119100.3 Ų100.362%0.62359%0.59SS**Hα-helixtrans-63.9-46.1-178.4-170.165.9000112.4I73 D74 S79 G80 L81I73-L77 PolarHBondContact O-N 3.3Å; I73-L77 VanDerWaalsContact O-N 3.13Å; D74-L77 PolarHBondContact O-N 2.86Å; L77-S79 PolarHBondContact O-N 3.44Å; L77-G80 PolarHBondContact O-N 2.9Å; L77-L81 PolarHBondContact O-N 3.12Å
78Y72.6Confident67.4Low165 Ų16596.3 Ų96.365%0.64758%0.577SS**Hα-helixtrans-67.4-34.2176.4-73-65.7000112.6D74 L81 G82D74-Y78 HydrophobicContact CB-CD2 4.25Å; D74-Y78 HydrophobicContact CB-CE2 4.22Å; D74-Y78 WeakPolarHBondContact O-CD2 3.37Å; D74-Y78 PolarHBondContact O-N 3.27Å; Y78-L81 PolarHBondContact O-N 3.49Å; Y78-G82 PolarHBondContact O-N 2.03Å
79S68.3Low70.1Confident78 Ų7892.8 Ų92.855%0.54556%0.561SS.*Hα-helixtrans-65.8-38.9174.377.10000112.5V75 A76 L77 G82 A83V75-S79 VanDerWaalsContact O-CB 3.27Å; V75-S79 WeakPolarHBondContact O-CB 3.05Å; V75-S79 PolarHBondContact O-N 2.91Å; V75-S79 PolarHBondContact O-OG 2.75Å; A76-S79 PolarHBondContact O-N 3.11Å; A76-S79 PolarHBondContact O-OG 2.94Å; L77-S79 PolarHBondContact O-N 3.44Å; S79-G82 PolarHBondContact O-N 3.23Å; S79-A83 WeakPolarHBondContact O-CB 3.48Å; S79-A83 PolarHBondContact O-N 3.31Å
80G75.9Confident72.7Confident44 Ų4489.7 Ų89.745%0.45455%0.547SS..Hα-helixtrans-66.2-41.6175.200000112.7A76 L77 A83 G84A76-G80 PolarHBondContact O-N 2.93Å; L77-G80 PolarHBondContact O-N 2.9Å; G80-A83 PolarHBondContact O-N 3.01Å; G80-G84 PolarHBondContact O-N 3.08Å
81L81.5Confident75.1Confident115 Ų11589.6 Ų89.660%0.60255%0.549SS*.Hα-helixtrans-63.4-43.4176-156.683.5000111.7L77 Y78 G84 I85L77-L81 PolarHBondContact O-N 3.12Å; Y78-L81 PolarHBondContact O-N 3.49Å; L81-G84 PolarHBondContact O-N 2.86Å; L81-I85 WeakPolarHBondContact O-CG1 3.02Å; L81-I85 PolarHBondContact O-N 3.22Å
82G82.6Confident77.4Confident35 Ų3587.5 Ų87.536%0.36153%0.532SS..Hα-helixtrans-61.5-45.2175.400000112.8Y78 S79 G84 I85 V86Y78-G82 PolarHBondContact O-N 2.03Å; S79-G82 PolarHBondContact O-N 3.23Å; G82-G84 VanDerWaalsContact C-N 3.34Å; G82-G84 PolarHBondContact O-N 2.75Å; G82-I85 PolarHBondContact O-N 2.9Å; G82-V86 WeakPolarHBondContact O-CG2 3.49Å; G82-V86 PolarHBondContact O-N 2.03Å
83A82.9Confident79.4Confident63 Ų6387 Ų8752%0.52153%0.525SS..Hα-helixtrans-62.1-39.5175.500000112.5S79 G80 V86 A87S79-A83 WeakPolarHBondContact O-CB 3.48Å; S79-A83 PolarHBondContact O-N 3.31Å; G80-A83 PolarHBondContact O-N 3.01Å; A83-V86 PolarHBondContact O-N 3.39Å; A83-A87 WeakPolarHBondContact O-CB 3.27Å; A83-A87 PolarHBondContact O-N 3.39Å
84G86.8Confident81.2Confident35 Ų3584.5 Ų84.536%0.36152%0.52SS..Hα-helixtrans-61.6-45.7175.200000112.9G80 L81 G82 V86 A87 V88G80-G84 PolarHBondContact O-N 3.08Å; L81-G84 PolarHBondContact O-N 2.86Å; G82-G84 VanDerWaalsContact C-N 3.34Å; G82-G84 PolarHBondContact O-N 2.75Å; G84-V86 PolarHBondContact O-N 3.28Å; G84-A87 PolarHBondContact O-N 2.88Å; G84-V88 WeakPolarHBondContact O-CG2 3.38Å; G84-V88 PolarHBondContact O-N 3.05Å
85I90.3Very high82.8Confident106 Ų10683.2 Ų83.254%0.54452%0.515SS..Hα-helixtrans-62-44.4176.8-66.8164.8000110.7L81 G82 A87 V88 V89L81-I85 WeakPolarHBondContact O-CG1 3.02Å; L81-I85 PolarHBondContact O-N 3.22Å; G82-I85 PolarHBondContact O-N 2.9Å; I85-A87 PolarHBondContact O-N 3.33Å; I85-V88 PolarHBondContact O-N 2.86Å; I85-V89 WeakPolarHBondContact O-CG2 3.45Å; I85-V89 PolarHBondContact O-N 3.25Å
86V89.8Confident84Confident87 Ų8784.1 Ų84.153%0.52751%0.514SS..Hα-helixtrans-62.7-41.5177172.40000111.5G82 A83 G84 V88 V89 I90G82-V86 WeakPolarHBondContact O-CG2 3.49Å; G82-V86 PolarHBondContact O-N 2.03Å; A83-V86 PolarHBondContact O-N 3.39Å; G84-V86 PolarHBondContact O-N 3.28Å; V86-V88 PolarHBondContact O-N 2.89Å; V86-V89 PolarHBondContact O-N 3.43Å; V86-I90 HydrophobicContact CG1-CD1 3.77Å; V86-I90 HydrophobicContact CG1-CG1 4.41Å; V86-I90 VanDerWaalsContact O-CG1 3.28Å; V86-I90 WeakPolarHBondContact O-CG1 3.37Å; V86-I90 PolarHBondContact O-N 2.89Å
87A89.9Confident85.2Confident56 Ų5686.5 Ų86.546%0.46352%0.517SS..Hα-helixtrans-62.6-41.117600000112.4A83 G84 I85 I90 L91A83-A87 WeakPolarHBondContact O-CB 3.27Å; A83-A87 PolarHBondContact O-N 3.39Å; G84-A87 PolarHBondContact O-N 2.88Å; I85-A87 PolarHBondContact O-N 3.33Å; A87-I90 PolarHBondContact O-N 3.13Å; A87-L91 WeakPolarHBondContact O-CB 3.31Å; A87-L91 PolarHBondContact O-N 2.88Å
88V91.5Very high85.9Confident92 Ų9288 Ų8856%0.55852%0.516SS*.Hα-helixtrans-64.6-43174.9172.30000111.3G84 I85 V86 I90 L91 V92G84-V88 WeakPolarHBondContact O-CG2 3.38Å; G84-V88 PolarHBondContact O-N 3.05Å; I85-V88 PolarHBondContact O-N 2.86Å; V86-V88 PolarHBondContact O-N 2.89Å; V88-I90 PolarHBondContact O-N 3.19Å; V88-L91 PolarHBondContact O-N 3.37Å; V88-V92 HydrophobicContact CG1-CG2 4.46Å; V88-V92 WeakPolarHBondContact O-CG2 3.2Å; V88-V92 PolarHBondContact O-N 3.42Å
89V93.1Very high86.2Confident85 Ų8589 Ų8952%0.51552%0.519SS..Hα-helixtrans-62.5-43.31761720000111.2I85 V86 L91 V92 V93I85-V89 WeakPolarHBondContact O-CG2 3.45Å; I85-V89 PolarHBondContact O-N 3.25Å; V86-V89 PolarHBondContact O-N 3.43Å; V89-L91 VanDerWaalsContact C-N 3.32Å; V89-L91 PolarHBondContact O-N 3.33Å; V89-V92 PolarHBondContact O-N 2.89Å; V89-V93 WeakPolarHBondContact O-CG2 3.38Å; V89-V93 PolarHBondContact O-N 3.01Å
90I93.3Very high86.6Confident109 Ų10991.7 Ų91.756%0.55952%0.52SS*.Hα-helixtrans-62.1-40.8175.1-68.3165.9000110.7V86 A87 V88 V93 A94V86-I90 HydrophobicContact CG1-CD1 3.77Å; V86-I90 HydrophobicContact CG1-CG1 4.41Å; V86-I90 VanDerWaalsContact O-CG1 3.28Å; V86-I90 WeakPolarHBondContact O-CG1 3.37Å; V86-I90 PolarHBondContact O-N 2.89Å; A87-I90 PolarHBondContact O-N 3.13Å; V88-I90 PolarHBondContact O-N 3.19Å; I90-V93 PolarHBondContact O-N 2.83Å; I90-A94 VanDerWaalsContact O-CB 3.28Å; I90-A94 WeakPolarHBondContact O-CB 3.28Å; I90-A94 PolarHBondContact O-N 2.89Å
91L92.7Very high86.3Confident116 Ų11695.1 Ų95.161%0.60753%0.528SS*.Hα-helixtrans-68.2-39.4178.8-165.8147000111.9A87 V88 V89 A94 V95A87-L91 WeakPolarHBondContact O-CB 3.31Å; A87-L91 PolarHBondContact O-N 2.88Å; V88-L91 PolarHBondContact O-N 3.37Å; V89-L91 VanDerWaalsContact C-N 3.32Å; V89-L91 PolarHBondContact O-N 3.33Å; L91-A94 PolarHBondContact O-N 3.07Å; L91-V95 HydrophobicContact CD2-CG2 4.16Å; L91-V95 WeakPolarHBondContact O-CB 3.28Å; L91-V95 VanDerWaalsContact O-CG2 3.31Å; L91-V95 WeakPolarHBondContact O-CG2 3.39Å; L91-V95 PolarHBondContact O-N 2.9Å
92V91.9Very high85Confident75 Ų7594.8 Ų94.846%0.45552%0.524SS..Hα-helixtrans-62.9-45.6171.9170.80000110.9V88 V89 A94 V95 M96V88-V92 HydrophobicContact CG1-CG2 4.46Å; V88-V92 WeakPolarHBondContact O-CG2 3.2Å; V88-V92 PolarHBondContact O-N 3.42Å; V89-V92 PolarHBondContact O-N 2.89Å; V92-A94 VanDerWaalsContact C-N 3.34Å; V92-A94 PolarHBondContact O-N 2.95Å; V92-V95 PolarHBondContact O-N 2.96Å; V92-M96 HydrophobicContact CG1-CG 4.44Å; V92-M96 HydrophobicContact CG1-SD 4.17Å; V92-M96 WeakPolarHBondContact O-CB 2.96Å; V92-M96 VanDerWaalsContact O-CG 3.32Å; V92-M96 WeakPolarHBondContact O-CG 3.49Å; V92-M96 PolarHBondContact O-N 2.91Å
93V92.6Very high83.6Confident74 Ų7496.9 Ų96.945%0.44853%0.532SS..Hα-helixtrans-63.3-40.4175.8171.40000111.2V89 I90 M96 L97V89-V93 WeakPolarHBondContact O-CG2 3.38Å; V89-V93 PolarHBondContact O-N 3.01Å; I90-V93 PolarHBondContact O-N 2.83Å; V93-M96 PolarHBondContact O-N 3.35Å; V93-L97 HydrophobicContact CG1-CD1 3.94Å; V93-L97 HydrophobicContact CG1-CG 4.32Å; V93-L97 WeakPolarHBondContact O-CB 3.02Å; V93-L97 VanDerWaalsContact O-CG 3.3Å; V93-L97 WeakPolarHBondContact O-CG 3.45Å; V93-L97 PolarHBondContact O-N 3.07Å
94A89.8Confident81.9Confident53 Ų5399.7 Ų99.744%0.43854%0.539SS..Hα-helixtrans-63.9-40.8175.100000111.9I90 L91 V92 L97 Y98I90-A94 VanDerWaalsContact O-CB 3.28Å; I90-A94 WeakPolarHBondContact O-CB 3.28Å; I90-A94 PolarHBondContact O-N 2.89Å; L91-A94 PolarHBondContact O-N 3.07Å; V92-A94 VanDerWaalsContact C-N 3.34Å; V92-A94 PolarHBondContact O-N 2.95Å; A94-L97 PolarHBondContact O-N 3.49Å; A94-Y98 VanDerWaalsContact O-CB 3.22Å; A94-Y98 WeakPolarHBondContact O-CB 3.4Å; A94-Y98 PolarHBondContact O-N 3.49Å
95V88.8Confident79.8Confident71 Ų71108 Ų10843%0.4356%0.561SS.*Hα-helixtrans-67.1-39.1173.6169.30000111.4L91 V92 Y98 R99L91-V95 HydrophobicContact CD2-CG2 4.16Å; L91-V95 WeakPolarHBondContact O-CB 3.28Å; L91-V95 VanDerWaalsContact O-CG2 3.31Å; L91-V95 WeakPolarHBondContact O-CG2 3.39Å; L91-V95 PolarHBondContact O-N 2.9Å; V92-V95 PolarHBondContact O-N 2.96Å; V95-Y98 PolarHBondContact O-N 2.86Å; V95-R99 HydrophobicContact CG1-CG 4.38Å; V95-R99 WeakPolarHBondContact O-CB 3.47Å; V95-R99 VanDerWaalsContact O-CG 3.28Å; V95-R99 WeakPolarHBondContact O-CG 3.47Å; V95-R99 PolarHBondContact O-N 3.44Å
96M84.3Confident77.3Confident128 Ų128105.8 Ų105.863%0.63156%0.564SS**Hα-helixtrans-66.5-40.6175.1-72.4-17778.600111.8V92 V93 K100V92-M96 HydrophobicContact CG1-CG 4.44Å; V92-M96 HydrophobicContact CG1-SD 4.17Å; V92-M96 WeakPolarHBondContact O-CB 2.96Å; V92-M96 VanDerWaalsContact O-CG 3.32Å; V92-M96 WeakPolarHBondContact O-CG 3.49Å; V92-M96 PolarHBondContact O-N 2.91Å; V93-M96 PolarHBondContact O-N 3.35Å; M96-K100 WeakPolarHBondContact O-CB 3.35Å; M96-K100 PolarHBondContact O-N 3.41Å
97L84.1Confident75.1Confident110 Ų110108.1 Ų108.158%0.57658%0.578SS**Hα-helixtrans-68.4-38.1173.9-71.6173.8000111.8V93 A94 K100 N101V93-L97 HydrophobicContact CG1-CD1 3.94Å; V93-L97 HydrophobicContact CG1-CG 4.32Å; V93-L97 WeakPolarHBondContact O-CB 3.02Å; V93-L97 VanDerWaalsContact O-CG 3.3Å; V93-L97 WeakPolarHBondContact O-CG 3.45Å; V93-L97 PolarHBondContact O-N 3.07Å; A94-L97 PolarHBondContact O-N 3.49Å; L97-K100 PolarHBondContact O-N 2.97Å; L97-N101 VanDerWaalsContact O-CB 3.26Å; L97-N101 WeakPolarHBondContact O-CB 3.42Å; L97-N101 PolarHBondContact O-N 2.71Å
98Y81.6Confident72.5Confident151 Ų151112.7 Ų112.759%0.59260%0.595SS**Hα-helixtrans-62.9-48.5173.3-176.9-92.2000111.3A94 V95 K100 N101 H102A94-Y98 VanDerWaalsContact O-CB 3.22Å; A94-Y98 WeakPolarHBondContact O-CB 3.4Å; A94-Y98 PolarHBondContact O-N 3.49Å; V95-Y98 PolarHBondContact O-N 2.86Å; Y98-K100 VanDerWaalsContact C-N 3.31Å; Y98-K100 PolarHBondContact O-N 2.93Å; Y98-N101 PolarHBondContact O-N 2.01Å; Y98-H102 AromaticContact CE1-CD2 3.45Å; Y98-H102 VanDerWaalsContact CE1-CD2 3.45Å; Y98-H102 WeakPolarHBondContact CE1-CD2 3.36Å; Y98-H102 AromaticContact CE1-NE2 3.86Å; Y98-H102 AromaticContact CZ-CD2 3.46Å; Y98-H102 VanDerWaalsContact CZ-CD2 3.46Å; Y98-H102 AromaticContact CZ-NE2 3.48Å; Y98-H102 WeakPolarHBondContact O-CB 3.46Å; Y98-H102 PolarHBondContact O-N 2.91Å; Y98-H102 PolarHBondContact OH-NE2 2.66Å
99R78.3Confident70.3Confident187 Ų187114.2 Ų114.271%0.70660%0.604SS**Hα-helixtrans-64.6-33.3176-70.3-176.781.5174.47112.3V95 S103V95-R99 HydrophobicContact CG1-CG 4.38Å; V95-R99 WeakPolarHBondContact O-CB 3.47Å; V95-R99 VanDerWaalsContact O-CG 3.28Å; V95-R99 WeakPolarHBondContact O-CG 3.47Å; V95-R99 PolarHBondContact O-N 3.44Å; R99-S103 PolarHBondContact O-N 2.86Å
100K78.1Confident67.8Low133 Ų133118.3 Ų118.358%0.57862%0.621SS**Hα-helixtrans-70.9-42.8174.1-177.4169.2179.2169.20112.4M96 L97 Y98 H102 S103 D104M96-K100 WeakPolarHBondContact O-CB 3.35Å; M96-K100 PolarHBondContact O-N 3.41Å; L97-K100 PolarHBondContact O-N 2.97Å; Y98-K100 VanDerWaalsContact C-N 3.31Å; Y98-K100 PolarHBondContact O-N 2.93Å; K100-H102 PolarHBondContact O-N 3.43Å; K100-S103 WeakPolarHBondContact CA-OG 3.19Å; K100-S103 PolarHBondContact O-N 3.29Å; K100-S103 PolarHBondContact O-OG 2.84Å; K100-D104 PolarHBondContact O-N 3Å
101N67.8Low65Low117 Ų117118.2 Ų118.263%0.62662%0.622SS**Hα-helixtrans-68.6-26.6175.5-156.349.3000111.6L97 Y98L97-N101 VanDerWaalsContact O-CB 3.26Å; L97-N101 WeakPolarHBondContact O-CB 3.42Å; L97-N101 PolarHBondContact O-N 2.71Å; Y98-N101 PolarHBondContact O-N 2.01Å
102H55.5Low62.2Low108 Ų108118 Ų11850%0.563%0.63SS.*Hα-helixtrans-78.4-21.7167.6-101-79.7000114.3Y98 K100 D104 Y105Y98-H102 AromaticContact CE1-CD2 3.45Å; Y98-H102 VanDerWaalsContact CE1-CD2 3.45Å; Y98-H102 WeakPolarHBondContact CE1-CD2 3.36Å; Y98-H102 AromaticContact CE1-NE2 3.86Å; Y98-H102 AromaticContact CZ-CD2 3.46Å; Y98-H102 VanDerWaalsContact CZ-CD2 3.46Å; Y98-H102 AromaticContact CZ-NE2 3.48Å; Y98-H102 WeakPolarHBondContact O-CB 3.46Å; Y98-H102 PolarHBondContact O-N 2.91Å; Y98-H102 PolarHBondContact OH-NE2 2.66Å; K100-H102 PolarHBondContact O-N 3.43Å; H102-D104 VanDerWaalsContact C-N 3.35Å; H102-Y105 PolarHBondContact O-N 3.44Å
103S52.7Low59.7Low78 Ų78117 Ų11755%0.54563%0.626SS.*Hα-helixtrans-78.6-18.7175.162.40000113.5R99 K100 Y105R99-S103 PolarHBondContact O-N 2.86Å; K100-S103 WeakPolarHBondContact CA-OG 3.19Å; K100-S103 PolarHBondContact O-N 3.29Å; K100-S103 PolarHBondContact O-OG 2.84Å; S103-Y105 VanDerWaalsContact C-N 3.3Å
104D46.7Very low57.4Low123 Ų123118.2 Ų118.266%0.65864%0.644SS**SBendtrans-80.9-9.7173.1-69.2-26.8000112.8K100 H102 G106K100-D104 PolarHBondContact O-N 3Å; H102-D104 VanDerWaalsContact C-N 3.35Å; D104-G106 VanDerWaalsContact C-N 3.34Å; D104-G106 PolarHBondContact O-N 2.84Å
105Y43.7Very low55.1Low209 Ų209121.7 Ų121.782%0.8266%0.655SS**SBendtrans-92.570.6161.3-83.5-85.4000110.1H102 S103 V107H102-Y105 PolarHBondContact O-N 3.44Å; S103-Y105 VanDerWaalsContact C-N 3.3Å; Y105-V107 PolarHBondContact O-N 3.33Å
106G36.7Very low52.8Low59 Ų59121.7 Ų121.761%0.60866%0.655SS**  trans-69.4122.2176.700000112.7D104D104-G106 VanDerWaalsContact C-N 3.34Å; D104-G106 PolarHBondContact O-N 2.84Å
107V44.5Very low50.5Low136 Ų136119.5 Ų119.582%0.82467%0.665SS**  trans55.296.7150.8-167.60000116.3Y105Y105-V107 PolarHBondContact O-N 3.33Å
108D34.7Very low48.1Very low153 Ų153117.2 Ų117.282%0.81867%0.668SS**  trans-131.8127136.7-114.6-31.4000110.7I110D108-I110 PolarHBondContact O-N 2.82Å
109V45.9Very low45.8Very low123 Ų123119 Ų11975%0.74568%0.68SS**  trans-12.2101.7174.1-171.90000116.6D111V109-D111 PolarHBondContact O-N 2.98Å
110I39.4Very low43.6Very low172 Ų172119.4 Ų119.488%0.88269%0.69SS**  trans-9973.1158.9-53.3-176.7000109.5D108D108-I110 PolarHBondContact O-N 2.82Å
111D35.4Very low41.3Very low107 Ų107118.3 Ų118.357%0.57270%0.699SS**  trans27.1131134.6-155.627.4000120.5V109 S113V109-D111 PolarHBondContact O-N 2.98Å; D111-S113 VanDerWaalsContact CG-OG 3.24Å; D111-S113 PolarHBondContact O-N 2.83Å; D111-S113 WeakPolarHBondContact OD2-CB 3.29Å; D111-S113 PolarHBondContact OD2-OG 3.42Å
112S34.5Very low39.3Very low110 Ų110122.7 Ų122.777%0.76971%0.713SS**G310 helixtrans-78.724.8-179-57.90000114.3
113S38.2Very low37.8Very low54 Ų54125.2 Ų125.238%0.37873%0.73SS.*G310 helixtrans-85.1-13.4-168.1410000114.9D111 L115 T116D111-S113 VanDerWaalsContact CG-OG 3.24Å; D111-S113 PolarHBondContact O-N 2.83Å; D111-S113 WeakPolarHBondContact OD2-CB 3.29Å; D111-S113 PolarHBondContact OD2-OG 3.42Å; S113-L115 PolarHBondContact O-N 3.25Å; S113-T116 WeakPolarHBondContact CA-OG1 3.32Å; S113-T116 PolarHBondContact O-N 3.07Å; S113-T116 PolarHBondContact O-OG1 3.16Å; S113-T116 VanDerWaalsContact O-OG1 3.08Å
114A44Very low36.6Very low100 Ų100130.4 Ų130.483%0.82674%0.743SS**G310 helixtrans-63.6-26.3174.200000113.5
115L41.9Very low35.7Very low126 Ų126133.6 Ų133.666%0.6675%0.751SS**G310 helixtrans-95.913.2178-67.2174.9000113.7S113 I548S113-L115 PolarHBondContact O-N 3.25Å; L115-I548 HydrophobicContact CD1-CD1 3.74Å; L115-I548 HydrophobicContact CD1-CG1 4.46Å
116T40.9Very low35Very low71 Ų71129.6 Ų129.644%0.43675%0.748SS.*THydrogen-bonded Turntrans-128.3-0.9179.750.70000115.1S113 G118 R551S113-T116 WeakPolarHBondContact CA-OG1 3.32Å; S113-T116 PolarHBondContact O-N 3.07Å; S113-T116 PolarHBondContact O-OG1 3.16Å; S113-T116 VanDerWaalsContact O-OG1 3.08Å; T116-G118 PolarHBondContact O-N 3.13Å; T116-R551 VanDerWaalsContact CG2-NH1 3.32Å
117G36.5Very low34.4Very low82 Ų82132.2 Ų132.285%0.84575%0.752SS**THydrogen-bonded Turntrans-64.68.4-175.300000117.7
118G33.1Very low33.7Very low63 Ų63135.9 Ų135.965%0.64975%0.752SS**THydrogen-bonded Turntrans-117.9-2.9-171.600000117.2T116T116-G118 PolarHBondContact O-N 3.13Å
119F33.6Very low33.3Very low188 Ų188136.3 Ų136.383%0.82575%0.748SS**  trans-140.4108.2-177.1-72.3-84.2000112.7
120Q31.9Very low32.3Very low196 Ų196133.8 Ų133.892%0.91675%0.747SS**PPolyproline II helixtrans-84.8117.4163.9-71.6-169.5-6.400109.9
121S28.9Very low31.8Very low110 Ų110133.4 Ų133.477%0.76975%0.747SS**PPolyproline II helixtrans-90132.4167.840.60000110.5
122F26.2Very low32.2Very low209 Ų209133.3 Ų133.392%0.91775%0.752SS**PPolyproline II helixtrans-67.5137179.4-83.2-99.2000111.5
123N24.8Very low32Very low161 Ų161135.8 Ų135.886%0.86176%0.756SS**PPolyproline II helixtrans-68.7129.1179.4-95.3-99000111.6
124F26.8Very low31.7Very low186 Ų186140.3 Ų140.382%0.81678%0.775SS**  trans-108.2127.1158.8-160.2-91.6000110.2T126F124-T126 HydrophobicContact CD1-CG2 4.15Å; F124-T126 HydrophobicContact CE1-CG2 3.94Å
125K28.9Very low30.9Very low190 Ų190143.6 Ų143.683%0.82678%0.778SS**  trans-92.9121-175.9-123.6176.4-176.51730110
126T27.8Very low30.3Very low125 Ų125144.8 Ų144.877%0.76779%0.785SS**  trans-130156.3158.150.50000110.2F124F124-T126 HydrophobicContact CD1-CG2 4.15Å; F124-T126 HydrophobicContact CE1-CG2 3.94Å
127T24Very low29.5Very low114 Ų114146.7 Ų146.770%0.69980%0.802SS**  trans-135.6144.1-154.4-62.80000110.9
128R30.2Very low29Very low214 Ų214148 Ų14881%0.80880%0.798SS**  trans73.8148.1161.6-91.2173.9-173.9-161.34.7117.2
129Q27.4Very low28.7Very low161 Ų161153.4 Ų153.475%0.75281%0.808SS**  cis-165137.5-1.7-157.2163.3-18.900114
130G24.9Very low29.6Very low70 Ų70149.5 Ų149.572%0.72280%0.802SS**  trans69.3154.5149.700000120.3
131N28.5Very low30.1Very low165 Ų165146 Ų14688%0.88280%0.796SS**  cis-160.5155-14.2-144.229.1000109.3
132P43.9Very low29.9Very low104 Ų104147.3 Ų147.368%0.67579%0.794SS**  trans-110.5154.8-166.739.3-32.6000115.8
133L30.5Very low29.8Very low162 Ų162144.1 Ų144.185%0.84878%0.784SS**  trans-149.7110.4160.6-79.3-176.9000114.5
134L30.1Very low30.1Very low150 Ų150142.5 Ų142.579%0.78578%0.78SS**  trans36.1127.3134.3-50.2177.4000122.1
135L29.3Very low30.2Very low169 Ų169140.4 Ų140.489%0.88578%0.782SS**  -178.4150.997.3-105.8146.1000114.7
136N27.8Very low30.1Very low150 Ų150135.1 Ų135.180%0.80278%0.782SS**  trans-96154.4177.7-72.2-26.5000113.2
137S24.8Very low30Very low112 Ų112140.5 Ų140.578%0.78379%0.788SS**  trans175.7114.8137.8-86.50000109.4
138S26.4Very low30.2Very low109 Ų109140.5 Ų140.576%0.76279%0.788SS**  90117.969.174.50000114.8
139M27.2Very low30Very low176 Ų176141 Ų14187%0.86779%0.791SS**  trans-61.8-170.6170.9-65.1173.787.900114.5
140P51.5Low30Very low107 Ų107138.4 Ų138.470%0.69579%0.791SS**  cis-120.3-141.3-49.536.2-16.4000108.9
141P42.1Very low30Very low122 Ų122141.5 Ų141.579%0.79280%0.796SS**  cis-141.9-150.543.635.7-10000113.3
142D24.1Very low30.4Very low138 Ų138139.1 Ų139.174%0.73879%0.79SS**  -165159.9-73.2-1635.9000110
143M25.3Very low29.4Very low142 Ų142141.9 Ų141.970%0.780%0.798SS**  trans28.7127.3163-80.3175.437.400123.9
144T30.4Very low29.2Very low126 Ų126140 Ų14077%0.77380%0.797SS**  178.6117.9106.924.70000112.5
145V28.4Very low28.9Very low143 Ų143142.6 Ų142.687%0.86780%0.802SS**  60.9114.296.5-177.80000116.3
146G26.7Very low28.7Very low79 Ų79143 Ų14381%0.81480%0.799SS**  trans-17992.7172.200000117.4
147R26.3Very low28.6Very low238 Ų238143.3 Ų143.390%0.89880%0.801SS**  trans-34.6139.5174.8-78174.3174165.3-2.1120.5
148T28.3Very low28.6Very low114 Ų114140.8 Ų140.870%0.69979%0.792SS**  trans11.1131.1134.957.10000120.4
149Y26.8Very low28.7Very low224 Ų224140.2 Ų140.288%0.87880%0.795SS**  trans-168.1136.9131.5-112.8-73.8000114
150S26.1Very low28.7Very low107 Ų107137.8 Ų137.875%0.74879%0.785SS**  trans51.9143.1149.350.50000124.6
151T26.7Very low27.6Very low135 Ų135139.3 Ų139.383%0.82878%0.781SS**  trans-71.1177175.919.40000115
152P35.9Very low26.8Very low114 Ų114140.6 Ų140.674%0.7478%0.776SS**  trans-94.6167.5-142.838.5-39.3000115.9
153L24Very low27Very low163 Ų163139.5 Ų139.585%0.85377%0.77SS**  trans-126.7125.1163.4-79.8165.5000109.9
154C24.9Very low27Very low121 Ų121141.8 Ų141.882%0.81878%0.776SS**  trans-73.9148168-57.20000110.1
155F24.5Very low26.9Very low205 Ų205142.8 Ų142.890%0.89978%0.777SS**  trans-125147.3154.7-95.3-82.3000109.9
156H25.7Very low27.2Very low178 Ų178141.6 Ų141.682%0.82477%0.772SS**  trans-115-177-171.4-146.2-85.7000109.6
157D23.9Very low27.5Very low156 Ų156145.1 Ų145.183%0.83477%0.771SS**  trans91.3136154.5-131.433.5000117.4
158G25.8Very low28Very low59 Ų59138.9 Ų138.961%0.60876%0.762SS**  cis-177.7174.8-3.800000116
159A28.4Very low27.8Very low98 Ų98140.7 Ų140.781%0.8177%0.767SS**  trans68.1141.7158.100000118.4
160D26.8Very low27.9Very low125 Ų125136.7 Ų136.767%0.66876%0.759SS**  cis-139.6170.515.8-100.9-11.8000108.8
161K27.7Very low27.8Very low138 Ų138141.6 Ų141.660%0.677%0.767SS**  cis-160.5142.4-7.7-116.1173.2178.585.20108.5
162E27Very low27.8Very low149 Ų149140.6 Ų140.670%0.69676%0.761SS**  61135.6105-67-169.1-162.200117.2
163L27.4Very low27.2Very low115 Ų115144 Ų14460%0.60276%0.764SS**  cis-165.915013.4-151.359.5000116.7
164F26.3Very low27.3Very low190 Ų190142 Ų14283%0.83376%0.758SS**  trans56.4135154.3-67.9-39.7000127.6
165D27.4Very low27.2Very low147 Ų147144.5 Ų144.579%0.78676%0.758SS**  trans-73.3-176.2161.1-113.1-30.3000113
166P34.8Very low27.2Very low118 Ų118139.8 Ų139.877%0.76675%0.75SS**  cis-143.8178.223.241.4-20000119.5
167L32.2Very low27.2Very low153 Ų153137.2 Ų137.280%0.80175%0.752SS**  trans-43.7154.8157.6-84.6162.1000115.2
168P37Very low27.1Very low108 Ų108138.2 Ų138.270%0.70175%0.75SS**  -155.7178.177.643.3-22.9000119.7
169D24.8Very low27.3Very low151 Ų151144.1 Ų144.181%0.80776%0.763SS**  trans102.1127.7142.1-81.3-18.4000124.8
170I28.1Very low27.2Very low141 Ų141144.2 Ų144.272%0.72375%0.754SS**  trans-69.8147.1-176.8-67.6152.1000113.1V172I170-V172 HydrophobicContact CG2-CG2 4.32Å
171K24.8Very low27.2Very low209 Ų209144 Ų14491%0.90976%0.762SS**  trans-149.6107.1143.6-121.6166-168.7166.90114.5
172V26.6Very low27Very low115 Ų115145.5 Ų145.570%0.69778%0.776SS**  trans-75.3141.4167.8174.60000109.7I170 V174I170-V172 HydrophobicContact CG2-CG2 4.32Å; V172-V174 HydrophobicContact CG1-CG2 4.09Å
173K23.9Very low27Very low185 Ų185141.6 Ų141.680%0.80478%0.775SS**  trans-140.5101.9161.7-162.4173.9-177.3-176.90111.3
174V24.4Very low26.9Very low120 Ų120143.4 Ų143.473%0.72779%0.791SS**  trans-80.2138.6169.3176.80000108.7V172V172-V174 HydrophobicContact CG1-CG2 4.09Å
175Q23.9Very low26.9Very low175 Ų175138.7 Ų138.782%0.81879%0.787SS**  trans-145.2126.7155.8-144.3163.5-7.900110.9
176S23.4Very low26.7Very low105 Ų105141.3 Ų141.373%0.73479%0.794SS**  trans-106142.3-178.4155.40000109.4
177S25.8Very low26.1Very low124 Ų124145.4 Ų145.487%0.86779%0.794SS**  trans-156.7141.4145.347.90000112.3
178F23.4Very low25.8Very low178 Ų178142.6 Ų142.678%0.78179%0.794SS**  trans-106.5140.7-178.5177.8-82.6000108.1V180F178-V180 HydrophobicContact CE1-CG2 4.33Å; F178-V180 HydrophobicContact CZ-CG2 4.47Å
179M28.8Very low25Very low182 Ų182144.5 Ų144.590%0.89779%0.793SS**  trans-168.8150.5151.2-112.7168.964.100113.9
180V26.5Very low24.8Very low101 Ų101146.4 Ų146.461%0.61280%0.795SS**  trans-115.6150.1-176.1169.10000109.6F178F178-V180 HydrophobicContact CE1-CG2 4.33Å; F178-V180 HydrophobicContact CZ-CG2 4.47Å
181S26.1Very low24.5Very low119 Ų119149.2 Ų149.283%0.83280%0.804SS**  trans-165.9150.3147-82.50000113.5
182L25.1Very low24.4Very low171 Ų171143.2 Ų143.290%0.89579%0.794SS**  trans-93.6165.7177.3-73.782.6000112.6
183G26Very low24.2Very low67 Ų67147.9 Ų147.969%0.69181%0.805SS**  trans167.189.9164.300000110.5
184V25.4Very low24Very low152 Ų152143.2 Ų143.292%0.92180%0.801SS**  72134.291.5177.80000113.5
185A25.7Very low24.4Very low91 Ų91143.3 Ų143.375%0.75280%0.804SS**  trans-96.3164.9-165.400000114.3
186E23.5Very low24.3Very low202 Ų202139.9 Ų139.994%0.94480%0.799SS**  trans-155.3-178.4142.3-129177.9171.600113.9
187R23.7Very low24.2Very low204 Ų204144 Ų14477%0.7781%0.807SS**  trans-135.4141.4-147.9169.8-162.6-176.1109-1112.5E189R187-E189 IonicContact CZ-OE1 2.65Å; R187-E189 IonicContact NE-OE1 3.14Å; R187-E189 PolarHBondContact NE-OE1 2.89Å; R187-E189 IonicContact NH2-OE1 2.65Å; R187-E189 PolarHBondContact NH2-OE1 2.87Å
188A24.5Very low24Very low95 Ų95143.6 Ų143.679%0.78580%0.804SS**  trans-175.5122.5147.300000107.8
189E20.6Very low23.9Very low147 Ų147144.9 Ų144.969%0.68781%0.805SS**  87.2140.455.4-81.3-178.6-153.800116R187R187-E189 IonicContact CZ-OE1 2.65Å; R187-E189 IonicContact NE-OE1 3.14Å; R187-E189 PolarHBondContact NE-OE1 2.89Å; R187-E189 IonicContact NH2-OE1 2.65Å; R187-E189 PolarHBondContact NH2-OE1 2.87Å
190F21.7Very low23.8Very low192 Ų192142 Ų14284%0.84280%0.8SS**  trans-83.8164-159.4-87.7-113.5000114.3
191H21.4Very low23.9Very low199 Ų199145 Ų14592%0.92181%0.807SS**  -156.9153.4126.3-104-67.9000112.1
192A21.7Very low23.8Very low84 Ų84147.1 Ų147.169%0.69481%0.809SS**  trans-127.2161.1-170.700000112.8
193K22Very low24.1Very low212 Ų212147.1 Ų147.192%0.92281%0.809SS**  trans-171.4141147.6-109.5170.5-174.9-176.40113.7
194A21Very low24.1Very low88 Ų88149.3 Ų149.373%0.72781%0.814SS**  trans-114.4-162.616000000107.2
195P31.8Very low24.6Very low122 Ų122147 Ų14779%0.79280%0.803SS**  cis-138.4179.7-8.642.8-26.1000115.3
196S22.1Very low24.4Very low103 Ų103149.2 Ų149.272%0.7280%0.803SS**  trans-178.7121.1138.656.20000113.4
197E22Very low25.2Very low191 Ų191145.5 Ų145.589%0.89378%0.784SS**  41.7142128.3-60.1178.6169.800121.2
198S21.8Very low25.6Very low115 Ų115140.5 Ų140.580%0.80478%0.779SS**  cis-160.8176.20.950.40000112.6
199Y21.7Very low25.6Very low206 Ų206139.8 Ų139.881%0.80877%0.768SS**  trans-58.9164.5-173-88.8-96.7000116.5Q201Y199-Q201 HydrophobicContact CD1-CB 4.48Å
200P26.5Very low26Very low120 Ų120139.1 Ų139.178%0.77977%0.774SS**  cis-138.6140.838.439.4-19.6000120.4
201Q28.3Very low26.5Very low164 Ų164136.9 Ų136.977%0.76678%0.776SS**  24.799.9127.3-162.2166.18.900118.5Y199Y199-Q201 HydrophobicContact CD1-CB 4.48Å
202D22.7Very low26.8Very low164 Ų164134.7 Ų134.788%0.87777%0.771SS**  trans-139.1139.3151.2-134.3-19.9000108.7
203L31.9Very low27.3Very low172 Ų172139.5 Ų139.590%0.90178%0.776SS**  trans-95.1103.7-176.7-82.2158.1000109.2
204S26.4Very low27.7Very low112 Ų112140.1 Ų140.178%0.78377%0.773SS**  trans-132157.5175.9-165.80000112.1D206S204-D206 PolarHBondContact O-N 3.37Å
205C34.8Very low27.9Very low103 Ų103145.7 Ų145.770%0.69678%0.781SS**  trans-87.187.9-158.7-161.20000113.5F207C205-F207 PolarHBondContact O-N 3.49Å
206D23.1Very low28Very low139 Ų139149 Ų14974%0.74378%0.783SS**  trans-80.548.2176.6-83.5-37.2000113.9S204S204-D206 PolarHBondContact O-N 3.37Å
207F38.7Very low28Very low124 Ų124147.4 Ų147.454%0.54478%0.782SS.*SBendtrans-93-4.3178.9-93.5-75.2000116C205 T438C205-F207 PolarHBondContact O-N 3.49Å; F207-T438 HydrophobicContact CE1-CG2 4.2Å
208C32.5Very low28.4Very low99 Ų99144.1 Ų144.167%0.66978%0.777SS**SBendtrans-147.467.7175.8-168.70000114.2
209S25.9Very low28.8Very low79 Ų79146.5 Ų146.555%0.55278%0.78SS**  trans-145.945.8-179.960.80000116.3
210T28.4Very low29Very low134 Ų134143 Ų14382%0.82278%0.78SS**  trans-12579.1162.644.70000113.1D212T210-D212 VanDerWaalsContact C-N 3.3Å; T210-D212 PolarHBondContact O-N 3.33Å
211V32.9Very low29Very low145 Ų145145.4 Ų145.488%0.87979%0.786SS**  trans-73.783.6166.7-177.60000109.2
212D26.7Very low29.1Very low153 Ų153144.5 Ų144.582%0.81879%0.786SS**  trans-97.5129.2179.4-134.9-28.2000113.5T210 R214T210-D212 VanDerWaalsContact C-N 3.3Å; T210-D212 PolarHBondContact O-N 3.33Å; D212-R214 PolarHBondContact O-N 2.77Å; D212-R214 VanDerWaalsContact O-N 3.16Å
213K31.3Very low29.3Very low185 Ų185139.4 Ų139.480%0.80477%0.773SS**  trans-81.5102.4-166-75.4175.5178.9169.80111.8K215K213-K215 PolarHBondContact O-N 2.93Å
214R31.3Very low29.1Very low224 Ų224137.3 Ų137.385%0.84577%0.769SS**  trans4.287.8154.5-169.5-175.5-117.1177.91.8115.5D212D212-R214 PolarHBondContact O-N 2.77Å; D212-R214 VanDerWaalsContact O-N 3.16Å
215K24.9Very low29.6Very low206 Ų206137.4 Ų137.490%0.89676%0.76SS**  trans-95.6119.1155.3-84.8-178.9176.41730109.2K213K213-K215 PolarHBondContact O-N 2.93Å
216K33.5Very low29.5Very low192 Ų192138.3 Ų138.384%0.83577%0.768SS**  trans-77.1120.7174.9-75.6-176.4173.3-177.20110.4
217G22.6Very low29.9Very low69 Ų69134.1 Ų134.171%0.71176%0.757SS**  trans-116.9152.915600000109
218P30.6Very low29.6Very low122 Ų122133.9 Ų133.979%0.79277%0.771SS**  trans-102.4164.8-152.339.6-37.3000115.9
219L29.3Very low30.6Very low164 Ų164134.5 Ų134.586%0.85976%0.759SS**  trans82.180.7164.2-53.3177.6000119
220T26.9Very low32.1Very low133 Ų133138.9 Ų138.982%0.81677%0.771SS**  -130.3126.812439.30000108.6N222T220-N222 PolarHBondContact O-N 3.04Å
221L27.3Very low34.1Very low170 Ų170137.6 Ų137.689%0.8976%0.756SS**  trans-92.178.6-178.5-176.175.3000110
222N29.7Very low36.6Very low146 Ų146133.5 Ų133.578%0.78173%0.729SS**  trans-104.7107.2164.7-73.4-8.1000108.2T220T220-N222 PolarHBondContact O-N 3.04Å
223G26Very low39.6Very low57 Ų57134.1 Ų134.159%0.58872%0.719SS**  trans-67.6153.417100000111.1L225G223-L225 PolarHBondContact O-N 3.39Å
224P28.3Very low42.4Very low127 Ų127125.7 Ų125.783%0.82568%0.684SS**  trans-61.6133.4177.3-18.230.9000110.7S226P224-S226 PolarHBondContact O-N 2.94Å
225L36.6Very low45.4Very low114 Ų114117.5 Ų117.560%0.59766%0.661SS**  trans-70.975.9172.1-78.3159.8000110.2G223 G227G223-L225 PolarHBondContact O-N 3.39Å; L225-G227 PolarHBondContact O-N 3.09Å
226S32.5Very low48.5Very low122 Ų122108.1 Ų108.185%0.85362%0.623SS**  trans-81.555172.1-175.20000111.5P224P224-S226 PolarHBondContact O-N 2.94Å
227G32.6Very low51.4Low51 Ų51103 Ų10353%0.52661%0.607SS.*SBendtrans-94.5136.6162.700000109.1L225 R229L225-G227 PolarHBondContact O-N 3.09Å; G227-R229 PolarHBondContact O-N 2.79Å
228S33.2Very low54.7Low120 Ų12099.7 Ų99.784%0.83957%0.573SS**  trans-58.199176.1177.60000110.3E230S228-E230 PolarHBondContact O-N 3.37Å
229R52.8Low57.6Low111 Ų11194.7 Ų94.742%0.41954%0.544SS..  trans-78.798.1176.2-79.6179.6150.9-162.7-10.8109G227 Q231 Q275 Q474G227-R229 PolarHBondContact O-N 2.79Å; R229-Q231 PolarHBondContact O-N 2.86Å; R229-Q275 PolarHBondContact O-NE2 2.73Å; R229-Q474 PolarHBondContact NH1-O 3.47Å; R229-Q474 PolarHBondContact NH2-O 2.7Å
230E57.5Low60.6Low171 Ų17189.2 Ų89.280%0.79951%0.514SS*.  trans-55135.2175.3-64.5-174.1149.400111.3S228 L232S228-E230 PolarHBondContact O-N 3.37Å; E230-L232 PolarHBondContact O-N 2.87Å
231Q70.3Confident63.7Low108 Ų10886.5 Ų86.551%0.50550%0.497SS..  trans-78.3113.6178.1-170.1176.521.800109.3R229 R233 V272 N274R229-Q231 PolarHBondContact O-N 2.86Å; Q231-R233 PolarHBondContact O-N 2.82Å; Q231-R233 VanDerWaalsContact O-N 3.08Å; Q231-V272 HydrophobicContact CG-CG1 3.68Å; Q231-V272 VanDerWaalsContact NE2-CG1 3.29Å; Q231-N274 PolarHBondContact NE2-OD1 2.92Å
232L84.9Confident66.8Low58 Ų5878.5 Ų78.530%0.30446%0.455SS..  trans-62.7110.3178.7-73.6165.6000110E230 V247 T250 I273E230-L232 PolarHBondContact O-N 2.87Å; L232-V247 HydrophobicContact CB-CG1 4.23Å; L232-T250 HydrophobicContact CD1-CG2 4.03Å; L232-I273 HydrophobicContact CB-CB 4.3Å; L232-I273 PolarHBondContact O-N 3.17Å
233R88.9Confident69.8Low166 Ų16671.5 Ų71.563%0.62642%0.418SS*.EExtended strand (participates in β ladder)trans-139.2148.9-179.968.2-174.7-58.6-153.90.5112.3Q231 M271 V272Q231-R233 PolarHBondContact O-N 2.82Å; Q231-R233 VanDerWaalsContact O-N 3.08Å; R233-M271 CarbonylContact C-O 3.58Å; R233-M271 WeakPolarHBondContact CA-O 3.39Å; R233-V272 HydrophobicContact CB-CB 4.48Å; R233-V272 HydrophobicContact CB-CG1 4.32Å; R233-V272 HydrophobicContact CB-CG2 3.96Å
234T91.4Very high73Confident9 Ų970.3 Ų70.36%0.05540%0.396CS..EExtended strand (participates in β ladder)trans-130.9151.9169.4-1760000109.4L245 V247 C270 M271 T534T234-L245 HydrophobicContact CG2-CB 4.01Å; T234-L245 HydrophobicContact CG2-CD1 4.42Å; T234-L245 HydrophobicContact CG2-CD2 4.26Å; T234-L245 HydrophobicContact CG2-CG 4.47Å; T234-V247 HydrophobicContact CG2-CG2 3.65Å; T234-C270 WeakPolarHBondContact O-CA 3.17Å; T234-M271 HydrophobicContact CG2-CB 3.79Å; T234-M271 HydrophobicContact CG2-CG 4.26Å; T234-M271 PolarHBondContact N-O 2.68Å; T234-M271 PolarHBondContact O-N 2.71Å; T234-T534 WeakPolarHBondContact OG1-CB 3.49Å; T234-T534 PolarHBondContact OG1-O 3.35Å; T234-T534 VanDerWaalsContact OG1-O 3.1Å
235S93Very high76.1Confident51 Ų5164.3 Ų64.336%0.35736%0.356SS..EExtended strand (participates in β ladder)trans-143161.2169.366.90000111.6E268 M269S235-E268 PolarHBondContact OG-OE1 2.92Å; S235-M269 CarbonylContact C-O 3.58Å; S235-M269 VanDerWaalsContact CA-O 3.22Å; S235-M269 WeakPolarHBondContact CA-O 3.38Å; S235-M269 WeakPolarHBondContact CB-O 3.32Å
236G91.9Very high78.7Confident10 Ų1060 Ų6010%0.10334%0.335CS..EExtended strand (participates in β ladder)trans-167.6155-179.900000111.4F238 E268 M269G236-F238 VanDerWaalsContact C-CE2 3.47Å; G236-F238 VanDerWaalsContact O-CD2 3.31Å; G236-F238 WeakPolarHBondContact O-CD2 3.42Å; G236-F238 VanDerWaalsContact O-CE2 3.3Å; G236-F238 WeakPolarHBondContact O-CE2 3.07Å; G236-E268 WeakPolarHBondContact O-CA 3.45Å; G236-M269 PolarHBondContact N-O 3.49Å; G236-M269 PolarHBondContact O-N 2.97Å
237V93.1Very high81.5Confident83 Ų8354.4 Ų54.450%0.50330%0.295SS..EExtended strand (participates in β ladder)trans-99.1120.5179.6-1780000109.6W267 E268 T537V237-W267 WeakPolarHBondContact CA-O 3.5Å; V237-E268 HydrophobicContact CG2-CB 4.28Å; V237-E268 HydrophobicContact CG2-CG 4.42Å; V237-T537 WeakPolarHBondContact O-CG2 3.29Å
238F93.1Very high84.1Confident1 Ų153.6 Ų53.60%0.00428%0.281CS..EExtended strand (participates in β ladder)trans-122.2127.7-177.2-57.1-81.5000110.7G236 L245 V256 S266 W267 M269 S535 Q536 T537G236-F238 VanDerWaalsContact C-CE2 3.47Å; G236-F238 VanDerWaalsContact O-CD2 3.31Å; G236-F238 WeakPolarHBondContact O-CD2 3.42Å; G236-F238 VanDerWaalsContact O-CE2 3.3Å; G236-F238 WeakPolarHBondContact O-CE2 3.07Å; F238-L245 HydrophobicContact CE2-CD1 3.97Å; F238-L245 HydrophobicContact CE2-CD2 3.66Å; F238-L245 HydrophobicContact CE2-CG 3.58Å; F238-L245 HydrophobicContact CZ-CD1 4.46Å; F238-L245 HydrophobicContact CZ-CD2 3.56Å; F238-L245 HydrophobicContact CZ-CG 3.58Å; F238-V256 HydrophobicContact CB-CG1 4.43Å; F238-V256 HydrophobicContact CG-CG2 4.48Å; F238-S266 CarbonylContact O-C 3.5Å; F238-S266 VanDerWaalsContact O-CA 3.3Å; F238-S266 WeakPolarHBondContact O-CA 3.45Å; F238-W267 PolarHBondContact N-O 2.9Å; F238-W267 PolarHBondContact O-N 2.92Å; F238-M269 HydrophobicContact CB-SD 3.96Å; F238-M269 HydrophobicContact CD2-CB 3.87Å; F238-M269 HydrophobicContact CD2-CG 4.01Å; F238-M269 HydrophobicContact CD2-SD 3.47Å; F238-M269 WeakPolarHBondContact CD2-SD 3.25Å; F238-M269 HydrophobicContact CE2-CB 4.12Å; F238-M269 HydrophobicContact CE2-SD 4.31Å; F238-M269 HydrophobicContact CG-SD 3.96Å; F238-S535 WeakPolarHBondContact CZ-OG 3.47Å; F238-Q536 WeakPolarHBondContact CE1-O 3.31Å; F238-T537 HydrophobicContact CD1-CG2 3.98Å; F238-T537 HydrophobicContact CE1-CG2 3.89Å
239G91.2Very high86.5Confident17 Ų1750.3 Ų50.318%0.17525%0.254CS..EExtended strand (participates in β ladder)trans-109.3-164.2166.800000111.2V241 G242 M265G239-V241 PolarHBondContact O-N 3.24Å; G239-G242 PolarHBondContact O-N 3.42Å; G239-M265 VanDerWaalsContact CA-O 3.27Å; G239-M265 WeakPolarHBondContact CA-O 3.43Å
240H91.9Very high88.2Confident48 Ų4845 Ų4522%0.22223%0.234CC..THydrogen-bonded Turntrans-50.8-30.3-178.8177.6-99.2000116.1G242 H258 G259 V261 E263H240-G242 PolarHBondContact O-N 3.09Å; H240-G242 VanDerWaalsContact O-N 3.09Å; H240-H258 AromaticContact CE1-CD2 3.99Å; H240-H258 AromaticContact CE1-CE1 3.89Å; H240-H258 AromaticContact CE1-NE2 3.31Å; H240-H258 PolarHBondContact CE1-NE2 2.82Å; H240-H258 VanDerWaalsContact CE1-NE2 3.31Å; H240-H258 AromaticContact ND1-CE1 3.89Å; H240-H258 AromaticContact ND1-NE2 3.77Å; H240-G259 PolarHBondContact O-N 2.66Å; H240-V261 VanDerWaalsContact CA-O 3.24Å; H240-V261 WeakPolarHBondContact CA-O 3.06Å; H240-V261 WeakPolarHBondContact CB-O 2.95Å; H240-V261 PolarHBondContact CD2-O 3.31Å; H240-V261 VanDerWaalsContact CD2-O 3.3Å; H240-E263 HydrophobicContact CB-CB 4.48Å; H240-E263 HydrophobicContact CB-CG 4.28Å; H240-E263 IonicContact CE1-OE1 2.74Å
241V90.9Very high89.7Confident77 Ų7738.5 Ų38.547%0.46721%0.213SC..THydrogen-bonded Turntrans-60.7-17.9175.5-64.10000113.6G239 H258 F542G239-V241 PolarHBondContact O-N 3.24Å; V241-H258 PolarHBondContact O-ND1 2.69Å; V241-F542 WeakPolarHBondContact O-CE2 3.33Å
242G92.5Very high90.8Very high1 Ų133.4 Ų33.41%0.0119%0.189CC..  trans72.4-172-176.600000113.1G239 H240 V256 G538G239-G242 PolarHBondContact O-N 3.42Å; H240-G242 PolarHBondContact O-N 3.09Å; H240-G242 VanDerWaalsContact O-N 3.09Å; G242-V256 CarbonylContact C-O 3.51Å; G242-V256 VanDerWaalsContact CA-O 3.26Å; G242-V256 WeakPolarHBondContact CA-O 3.32Å; G242-G538 PolarHBondContact O-N 3.17Å
243G92.7Very high91.3Very high0 Ų030.8 Ų30.80%018%0.175CC..EExtended strand (participates in β ladder)trans170.4-164.5176.300000113.1V256 Q536G243-V256 PolarHBondContact N-O 3.04Å; G243-V256 PolarHBondContact O-N 2.74Å; G243-Q536 CarbonylContact C-O 3.55Å; G243-Q536 WeakPolarHBondContact CA-O 3.41Å
244R93Very high91.5Very high32 Ų3222.9 Ų22.912%0.12115%0.146CC..EExtended strand (participates in β ladder)trans-139.7133.1-177.5-166.1175.1-177-150.2-11.3111.1V246 S253 L254 L255 S535 Q536 A541R244-V246 HydrophobicContact CG-CG2 4.27Å; R244-S253 PolarHBondContact NH2-OG 2.95Å; R244-L254 CarbonylContact C-O 3.49Å; R244-L254 VanDerWaalsContact CA-O 3.24Å; R244-L254 WeakPolarHBondContact CA-O 3.16Å; R244-L254 WeakPolarHBondContact CG-O 3.25Å; R244-L255 HydrophobicContact CB-CD1 4.16Å; R244-L255 HydrophobicContact CG-CD1 4.27Å; R244-S535 CarbonylContact O-C 3.44Å; R244-S535 WeakPolarHBondContact O-CA 3.22Å; R244-Q536 PolarHBondContact N-O 2.82Å; R244-Q536 PolarHBondContact O-N 2.83Å; R244-A541 HydrophobicContact CB-CB 4.02Å
245L93.5Very high91.7Very high0 Ų022.6 Ų22.60%014%0.144CC..EExtended strand (participates in β ladder)trans-99.6143.1163-68.8174.1000109.5T234 F238 S253 L254 M269 M271 T534T234-L245 HydrophobicContact CG2-CB 4.01Å; T234-L245 HydrophobicContact CG2-CD1 4.42Å; T234-L245 HydrophobicContact CG2-CD2 4.26Å; T234-L245 HydrophobicContact CG2-CG 4.47Å; F238-L245 HydrophobicContact CE2-CD1 3.97Å; F238-L245 HydrophobicContact CE2-CD2 3.66Å; F238-L245 HydrophobicContact CE2-CG 3.58Å; F238-L245 HydrophobicContact CZ-CD1 4.46Å; F238-L245 HydrophobicContact CZ-CD2 3.56Å; F238-L245 HydrophobicContact CZ-CG 3.58Å; L245-S253 CarbonylContact O-C 3.59Å; L245-S253 VanDerWaalsContact O-CA 3.25Å; L245-S253 WeakPolarHBondContact O-CA 3.48Å; L245-S253 VanDerWaalsContact O-CB 3.23Å; L245-S253 WeakPolarHBondContact O-CB 3.4Å; L245-L254 HydrophobicContact CB-CB 4.15Å; L245-L254 HydrophobicContact CD1-CD2 4.47Å; L245-L254 PolarHBondContact N-O 3.1Å; L245-L254 PolarHBondContact O-N 2.65Å; L245-M269 HydrophobicContact CD1-CB 4.19Å; L245-M271 HydrophobicContact CD1-CB 4.18Å; L245-T534 WeakPolarHBondContact CA-O 3.41Å
246V92.2Very high91.8Very high24 Ų2420.2 Ų20.215%0.14513%0.127CC..EExtended strand (participates in β ladder)trans-133.5136.2172-176.50000107.9R244 P248 T534R244-V246 HydrophobicContact CG-CG2 4.27Å; V246-P248 WeakPolarHBondContact O-CD 3.29Å; V246-T534 PolarHBondContact N-O 2.98Å; V246-T534 WeakPolarHBondContact O-CA 3.31Å
247V90.8Very high91.8Very high4 Ų419.9 Ų19.92%0.02412%0.123CC..EExtended strand (participates in β ladder)trans-95.1106.3166.4-174.40000107L232 T234 N249 T250 V252 M271 I273L232-V247 HydrophobicContact CB-CG1 4.23Å; T234-V247 HydrophobicContact CG2-CG2 3.65Å; V247-N249 PolarHBondContact O-N 3.43Å; V247-T250 HydrophobicContact CB-CG2 4.21Å; V247-T250 WeakPolarHBondContact CB-OG1 3.4Å; V247-T250 HydrophobicContact CG1-CG2 3.59Å; V247-T250 PolarHBondContact O-N 2.9Å; V247-T250 PolarHBondContact O-OG1 2.84Å; V247-V252 PolarHBondContact N-O 2.88Å; V247-M271 HydrophobicContact CG2-CG 3.87Å; V247-M271 HydrophobicContact CG2-SD 3.98Å; V247-I273 HydrophobicContact CB-CD1 4.47Å; V247-I273 HydrophobicContact CG1-CD1 4.1Å
248P87.4Confident91.7Very high34 Ų3418.4 Ų18.422%0.22111%0.111CC..THydrogen-bonded Turntrans-56.4139.8-168.9-27.136000113V246 T250 Q412 C531 T534V246-P248 WeakPolarHBondContact O-CD 3.29Å; P248-T250 PolarHBondContact O-N 2.9Å; P248-T250 VanDerWaalsContact O-N 3.13Å; P248-Q412 PolarHBondContact O-NE2 3.01Å; P248-C531 WeakPolarHBondContact CG-O 3.3Å; P248-T534 HydrophobicContact CG-CG2 3.82Å
249N84.3Confident91.4Very high51 Ų5119.4 Ų19.427%0.27312%0.122SC..THydrogen-bonded Turntrans62.411.8175.4-57.4-18.1000116.4V247 P408 F526V247-N249 PolarHBondContact O-N 3.43Å; N249-P408 CarbonylContact O-C 3.37Å; N249-P408 VanDerWaalsContact O-CB 3.31Å; N249-P408 WeakPolarHBondContact O-CB 3.42Å; N249-F526 HydrophobicContact CB-CD1 4.27Å; N249-F526 HydrophobicContact CB-CD2 4.43Å; N249-F526 HydrophobicContact CB-CE1 3.86Å; N249-F526 HydrophobicContact CB-CE2 4.05Å; N249-F526 HydrophobicContact CB-CZ 3.75Å
250T88.3Confident91.4Very high0 Ų018.6 Ų18.60%011%0.113CC..THydrogen-bonded Turntrans-100.6-22.8178.463.80000115L232 V247 P248 V252 I273 H409L232-T250 HydrophobicContact CD1-CG2 4.03Å; V247-T250 HydrophobicContact CB-CG2 4.21Å; V247-T250 WeakPolarHBondContact CB-OG1 3.4Å; V247-T250 HydrophobicContact CG1-CG2 3.59Å; V247-T250 PolarHBondContact O-N 2.9Å; V247-T250 PolarHBondContact O-OG1 2.84Å; P248-T250 PolarHBondContact O-N 2.9Å; P248-T250 VanDerWaalsContact O-N 3.13Å; T250-V252 VanDerWaalsContact C-N 3.31Å; T250-V252 WeakPolarHBondContact OG1-CB 3.44Å; T250-V252 PolarHBondContact OG1-N 2.83Å; T250-I273 HydrophobicContact CG2-CD1 3.51Å; T250-H409 HydrophobicContact CG2-CB 4.43Å; T250-H409 PolarHBondContact O-N 2.67Å; T250-H409 VanDerWaalsContact O-N 3.1Å
251G88.9Confident91.3Very high34 Ų3416.3 Ų16.335%0.35110%0.103SC..THydrogen-bonded Turntrans79.410.6-167.400000114.1A312G251-A312 PolarHBondContact O-N 3.45Å
252V93.3Very high91.3Very high1 Ų114 Ų141%0.0069%0.092CC..EExtended strand (participates in β ladder)trans-105130.3178.4-173.60000110.9V247 T250 M271 I273 P292 V294 T310 V311V247-V252 PolarHBondContact N-O 2.88Å; T250-V252 VanDerWaalsContact C-N 3.31Å; T250-V252 WeakPolarHBondContact OG1-CB 3.44Å; T250-V252 PolarHBondContact OG1-N 2.83Å; V252-M271 HydrophobicContact CG1-CE 3.92Å; V252-M271 HydrophobicContact CG1-SD 3.73Å; V252-I273 HydrophobicContact CB-CD1 4.24Å; V252-I273 HydrophobicContact CG2-CD1 3.79Å; V252-I273 HydrophobicContact CG2-CG1 4.37Å; V252-P292 HydrophobicContact CG2-CG 3.81Å; V252-V294 HydrophobicContact CG1-CB 4.48Å; V252-V294 HydrophobicContact CG1-CG1 3.77Å; V252-V294 HydrophobicContact CG1-CG2 3.82Å; V252-V294 HydrophobicContact CG2-CG2 4.14Å; V252-T310 WeakPolarHBondContact CA-O 3.44Å; V252-V311 HydrophobicContact CG2-CG1 4.48Å
253S94.1Very high91Very high3 Ų321 Ų212%0.02112%0.124CC..EExtended strand (participates in β ladder)trans-150.7153.2174.770.60000112.8R244 L245 M309 T310R244-S253 PolarHBondContact NH2-OG 2.95Å; L245-S253 CarbonylContact O-C 3.59Å; L245-S253 VanDerWaalsContact O-CA 3.25Å; L245-S253 WeakPolarHBondContact O-CA 3.48Å; L245-S253 VanDerWaalsContact O-CB 3.23Å; L245-S253 WeakPolarHBondContact O-CB 3.4Å; S253-M309 CarbonylContact O-C 3.51Å; S253-M309 WeakPolarHBondContact O-CA 3.28Å; S253-T310 PolarHBondContact N-O 2.81Å; S253-T310 PolarHBondContact O-N 2.65Å
254L94.8Very high90.7Very high0 Ų028.8 Ų28.80%017%0.166CC..EExtended strand (participates in β ladder)trans-116.3122.2172.9-164.666.6000109.5R244 L245 V256 M271 Y296 V307 M309R244-L254 CarbonylContact C-O 3.49Å; R244-L254 VanDerWaalsContact CA-O 3.24Å; R244-L254 WeakPolarHBondContact CA-O 3.16Å; R244-L254 WeakPolarHBondContact CG-O 3.25Å; L245-L254 HydrophobicContact CB-CB 4.15Å; L245-L254 HydrophobicContact CD1-CD2 4.47Å; L245-L254 PolarHBondContact N-O 3.1Å; L245-L254 PolarHBondContact O-N 2.65Å; L254-V256 HydrophobicContact CD2-CG2 4.18Å; L254-V256 HydrophobicContact CG-CG2 4.3Å; L254-M271 HydrophobicContact CB-CE 3.62Å; L254-M271 HydrophobicContact CB-SD 4.22Å; L254-M271 HydrophobicContact CD1-CE 4.19Å; L254-M271 HydrophobicContact CG-CE 4.39Å; L254-Y296 HydrophobicContact CD1-CD2 4.43Å; L254-Y296 HydrophobicContact CD1-CG 4.42Å; L254-Y296 HydrophobicContact CD2-CD2 3.9Å; L254-Y296 HydrophobicContact CD2-CG 4.27Å; L254-V307 HydrophobicContact CD1-CB 4.08Å; L254-V307 HydrophobicContact CD1-CG2 3.87Å; L254-V307 HydrophobicContact CG-CB 4.48Å; L254-M309 HydrophobicContact CD1-CB 3.8Å; L254-M309 HydrophobicContact CD1-CG 4.2Å
255L94.6Very high90.6Very high4 Ų431.7 Ų31.72%0.02118%0.182CC..EExtended strand (participates in β ladder)trans-97.4122.6166.6-176.569.9000108.8R244 P257 A308 F542 S594 E597 A598R244-L255 HydrophobicContact CB-CD1 4.16Å; R244-L255 HydrophobicContact CG-CD1 4.27Å; L255-P257 WeakPolarHBondContact O-CD 3.49Å; L255-A308 HydrophobicContact CB-CB 4.25Å; L255-A308 PolarHBondContact N-O 2.88Å; L255-A308 PolarHBondContact O-N 2.93Å; L255-F542 HydrophobicContact CD1-CD1 4.05Å; L255-F542 HydrophobicContact CD1-CE1 3.72Å; L255-F542 HydrophobicContact CG-CE1 4.34Å; L255-S594 WeakPolarHBondContact CD2-O 3.43Å; L255-E597 HydrophobicContact CD2-CB 3.89Å; L255-A598 HydrophobicContact CD2-CB 4.3Å
256V94.4Very high90.5Very high0 Ų035.6 Ų35.60%021%0.209CC..EExtended strand (participates in β ladder)trans-104102.5177.8-177.80000107.1F238 G242 G243 L254 A260 M269 V307 F542F238-V256 HydrophobicContact CB-CG1 4.43Å; F238-V256 HydrophobicContact CG-CG2 4.48Å; G242-V256 CarbonylContact C-O 3.51Å; G242-V256 VanDerWaalsContact CA-O 3.26Å; G242-V256 WeakPolarHBondContact CA-O 3.32Å; G243-V256 PolarHBondContact N-O 3.04Å; G243-V256 PolarHBondContact O-N 2.74Å; L254-V256 HydrophobicContact CD2-CG2 4.18Å; L254-V256 HydrophobicContact CG-CG2 4.3Å; V256-A260 HydrophobicContact CG1-CB 3.99Å; V256-M269 HydrophobicContact CB-SD 4.39Å; V256-M269 HydrophobicContact CG1-CE 3.91Å; V256-M269 HydrophobicContact CG1-SD 4.02Å; V256-M269 HydrophobicContact CG2-CE 3.9Å; V256-M269 HydrophobicContact CG2-SD 3.51Å; V256-M269 VanDerWaalsContact CG2-SD 3.51Å; V256-V307 HydrophobicContact CG1-CG1 4.43Å; V256-V307 HydrophobicContact CG2-CG1 4.33Å; V256-F542 WeakPolarHBondContact O-CZ 3.48Å
257P92.6Very high90.4Very high3 Ų337.6 Ų37.62%0.01921%0.214CC..  trans-63.1158.4-172-25.336.5000113.4L255 G259 A260 P306 S594L255-P257 WeakPolarHBondContact O-CD 3.49Å; P257-G259 PolarHBondContact O-N 2.78Å; P257-A260 WeakPolarHBondContact O-CB 3.45Å; P257-A260 PolarHBondContact O-N 2.72Å; P257-A260 VanDerWaalsContact O-N 3.12Å; P257-P306 WeakPolarHBondContact CD-O 3.16Å; P257-P306 WeakPolarHBondContact CG-O 3.47Å; P257-S594 WeakPolarHBondContact CB-OG 3.36Å; P257-S594 VanDerWaalsContact CG-OG 3.26Å; P257-S594 WeakPolarHBondContact CG-OG 3.43Å
258H90.6Very high90.5Very high52 Ų5243.4 Ų43.424%0.24124%0.241CC..THydrogen-bonded Turntrans-57.9131.8167.1-168.587.1000110.1H240 V241 A260 L546H240-H258 AromaticContact CE1-CD2 3.99Å; H240-H258 AromaticContact CE1-CE1 3.89Å; H240-H258 AromaticContact CE1-NE2 3.31Å; H240-H258 PolarHBondContact CE1-NE2 2.82Å; H240-H258 VanDerWaalsContact CE1-NE2 3.31Å; H240-H258 AromaticContact ND1-CE1 3.89Å; H240-H258 AromaticContact ND1-NE2 3.77Å; V241-H258 PolarHBondContact O-ND1 2.69Å; H258-A260 VanDerWaalsContact C-N 3.35Å; H258-L546 HydrophobicContact CB-CD1 4.3Å
259G88.2Confident90.8Very high23 Ų2341.8 Ų41.824%0.23723%0.23CC..THydrogen-bonded Turntrans83.9-1.8-175.800000115.9H240 P257 V261H240-G259 PolarHBondContact O-N 2.66Å; P257-G259 PolarHBondContact O-N 2.78Å; G259-V261 VanDerWaalsContact C-N 3.3Å; G259-V261 PolarHBondContact O-N 3.15Å
260A90.1Very high91.2Very high0 Ų041 Ų410%023%0.229CC..SBendtrans-66.3-32.317800000113.1V256 P257 H258 L303 F304 C305V256-A260 HydrophobicContact CG1-CB 3.99Å; P257-A260 WeakPolarHBondContact O-CB 3.45Å; P257-A260 PolarHBondContact O-N 2.72Å; P257-A260 VanDerWaalsContact O-N 3.12Å; H258-A260 VanDerWaalsContact C-N 3.35Å; A260-L303 HydrophobicContact CB-CD2 4.16Å; A260-L303 WeakPolarHBondContact O-CA 3.39Å; A260-F304 PolarHBondContact O-N 2.82Å; A260-C305 VanDerWaalsContact CA-SG 3.51Å
261V90.4Very high91.5Very high0 Ų041 Ų410%023%0.229CC..SBendtrans-111.6146.2175.9178.50000109H240 G259 M265H240-V261 VanDerWaalsContact CA-O 3.24Å; H240-V261 WeakPolarHBondContact CA-O 3.06Å; H240-V261 WeakPolarHBondContact CB-O 2.95Å; H240-V261 PolarHBondContact CD2-O 3.31Å; H240-V261 VanDerWaalsContact CD2-O 3.3Å; G259-V261 VanDerWaalsContact C-N 3.3Å; G259-V261 PolarHBondContact O-N 3.15Å; V261-M265 HydrophobicContact CG1-CB 3.9Å; V261-M265 WeakPolarHBondContact CG1-O 3.32Å
262A89.6Confident91.6Very high28 Ų2840.1 Ų40.123%0.23122%0.216CC..  trans-61.2150.1178.200000113.3N264 M265 F304A262-N264 PolarHBondContact O-N 3.44Å; A262-N264 VanDerWaalsContact O-N 3.13Å; A262-M265 HydrophobicContact CB-CB 4.26Å; A262-M265 HydrophobicContact CB-CG 4.16Å; A262-M265 HydrophobicContact CB-SD 4.09Å; A262-M265 PolarHBondContact O-N 3.31Å; A262-F304 HydrophobicContact CB-CE2 3.8Å; A262-F304 HydrophobicContact CB-CZ 4.39Å
263E87.4Confident91.5Very high149 Ų14940.3 Ų40.370%0.69622%0.217SC*.THydrogen-bonded Turntrans-51-38.5-177.4-70.1-173.8161.600114.5H240H240-E263 HydrophobicContact CB-CB 4.48Å; H240-E263 HydrophobicContact CB-CG 4.28Å; H240-E263 IonicContact CE1-OE1 2.74Å
264N86.4Confident91.1Very high163 Ų16341.6 Ų41.687%0.87222%0.224SC*.THydrogen-bonded Turntrans-99.216.1-177.1-62.2-38.1000113.5A262A262-N264 PolarHBondContact O-N 3.44Å; A262-N264 VanDerWaalsContact O-N 3.13Å
265M90Very high89.9Confident93 Ų9345.4 Ų45.446%0.45824%0.241SC..  trans-126150.8-178.9-65.9-177.77300111.7G239 V261 A262 W267G239-M265 VanDerWaalsContact CA-O 3.27Å; G239-M265 WeakPolarHBondContact CA-O 3.43Å; V261-M265 HydrophobicContact CG1-CB 3.9Å; V261-M265 WeakPolarHBondContact CG1-O 3.32Å; A262-M265 HydrophobicContact CB-CB 4.26Å; A262-M265 HydrophobicContact CB-CG 4.16Å; A262-M265 HydrophobicContact CB-SD 4.09Å; A262-M265 PolarHBondContact O-N 3.31Å; M265-W267 HydrophobicContact CE-CZ2 3.88Å
266S91.4Very high88.1Confident82 Ų8245.2 Ų45.257%0.57324%0.24SC*.EExtended strand (participates in β ladder)trans-139.7131.1170.160.90000109.6F238F238-S266 CarbonylContact O-C 3.5Å; F238-S266 VanDerWaalsContact O-CA 3.3Å; F238-S266 WeakPolarHBondContact O-CA 3.45Å
267W91Very high85.9Confident66 Ų6650.7 Ų50.725%0.2527%0.266CS..EExtended strand (participates in β ladder)trans-109.2134.3177.5-71.6104000110.3V237 F238 M265 M269 P298 L301V237-W267 WeakPolarHBondContact CA-O 3.5Å; F238-W267 PolarHBondContact N-O 2.9Å; F238-W267 PolarHBondContact O-N 2.92Å; M265-W267 HydrophobicContact CE-CZ2 3.88Å; W267-M269 HydrophobicContact CB-CG 4.33Å; W267-M269 PolarHBondContact O-N 2.99Å; W267-P298 HydrophobicContact CE3-CG 4.15Å; W267-P298 HydrophobicContact CZ3-CG 4.3Å; W267-L301 HydrophobicContact CB-CD1 3.7Å; W267-L301 VanDerWaalsContact CD1-CD1 3.48Å; W267-L301 HydrophobicContact CD2-CD1 3.64Å; W267-L301 HydrophobicContact CE3-CD1 4.3Å; W267-L301 HydrophobicContact CG-CD1 3.34Å
268E93Very high83.6Confident126 Ų12657.1 Ų57.159%0.58930%0.3SS*.EExtended strand (participates in β ladder)trans-75.1107.9159.9-173.9-179.6-170.700107.7S235 G236 V237 P298S235-E268 PolarHBondContact OG-OE1 2.92Å; G236-E268 WeakPolarHBondContact O-CA 3.45Å; V237-E268 HydrophobicContact CG2-CB 4.28Å; V237-E268 HydrophobicContact CG2-CG 4.42Å; E268-P298 VanDerWaalsContact O-CD 3.31Å; E268-P298 WeakPolarHBondContact O-CD 3.44Å
269M93.4Very high81.5Confident0 Ų054.9 Ų54.90%029%0.29CS..EExtended strand (participates in β ladder)trans-95.6139.6174.6-65.7164.9134.200109.1S235 G236 F238 L245 V256 W267 G297 L301 L303 V307S235-M269 CarbonylContact C-O 3.58Å; S235-M269 VanDerWaalsContact CA-O 3.22Å; S235-M269 WeakPolarHBondContact CA-O 3.38Å; S235-M269 WeakPolarHBondContact CB-O 3.32Å; G236-M269 PolarHBondContact N-O 3.49Å; G236-M269 PolarHBondContact O-N 2.97Å; F238-M269 HydrophobicContact CB-SD 3.96Å; F238-M269 HydrophobicContact CD2-CB 3.87Å; F238-M269 HydrophobicContact CD2-CG 4.01Å; F238-M269 HydrophobicContact CD2-SD 3.47Å; F238-M269 WeakPolarHBondContact CD2-SD 3.25Å; F238-M269 HydrophobicContact CE2-CB 4.12Å; F238-M269 HydrophobicContact CE2-SD 4.31Å; F238-M269 HydrophobicContact CG-SD 3.96Å; L245-M269 HydrophobicContact CD1-CB 4.19Å; V256-M269 HydrophobicContact CB-SD 4.39Å; V256-M269 HydrophobicContact CG1-CE 3.91Å; V256-M269 HydrophobicContact CG1-SD 4.02Å; V256-M269 HydrophobicContact CG2-CE 3.9Å; V256-M269 HydrophobicContact CG2-SD 3.51Å; V256-M269 VanDerWaalsContact CG2-SD 3.51Å; W267-M269 HydrophobicContact CB-CG 4.33Å; W267-M269 PolarHBondContact O-N 2.99Å; M269-G297 WeakPolarHBondContact CA-O 3.38Å; M269-L301 HydrophobicContact CE-CD1 4.04Å; M269-L301 HydrophobicContact CE-CD2 3.45Å; M269-L301 VanDerWaalsContact CE-CD2 3.45Å; M269-L301 HydrophobicContact CE-CG 4.32Å; M269-L303 HydrophobicContact CE-CD2 4.04Å; M269-V307 HydrophobicContact CE-CG1 4.49Å
270C92.9Very high79.6Confident35 Ų3556.5 Ų56.524%0.23630%0.301CS..EExtended strand (participates in β ladder)trans-121.7149.4172.4680000110.7T234 Y296 G297T234-C270 WeakPolarHBondContact O-CA 3.17Å; C270-Y296 VanDerWaalsContact O-CA 3.29Å; C270-Y296 WeakPolarHBondContact O-CA 3.37Å; C270-G297 PolarHBondContact N-O 2.89Å; C270-G297 VanDerWaalsContact N-O 3.12Å; C270-G297 PolarHBondContact O-N 2.97Å; C270-G297 VanDerWaalsContact O-N 3.08Å
271M93.6Very high77.5Confident0 Ų064.2 Ų64.20%034%0.337CS..EExtended strand (participates in β ladder)trans-131.2132.5173.7165.8175-94.200108.4R233 T234 L245 V247 V252 L254 V294 T295 M309R233-M271 CarbonylContact C-O 3.58Å; R233-M271 WeakPolarHBondContact CA-O 3.39Å; T234-M271 HydrophobicContact CG2-CB 3.79Å; T234-M271 HydrophobicContact CG2-CG 4.26Å; T234-M271 PolarHBondContact N-O 2.68Å; T234-M271 PolarHBondContact O-N 2.71Å; L245-M271 HydrophobicContact CD1-CB 4.18Å; V247-M271 HydrophobicContact CG2-CG 3.87Å; V247-M271 HydrophobicContact CG2-SD 3.98Å; V252-M271 HydrophobicContact CG1-CE 3.92Å; V252-M271 HydrophobicContact CG1-SD 3.73Å; L254-M271 HydrophobicContact CB-CE 3.62Å; L254-M271 HydrophobicContact CB-SD 4.22Å; L254-M271 HydrophobicContact CD1-CE 4.19Å; L254-M271 HydrophobicContact CG-CE 4.39Å; M271-V294 HydrophobicContact CE-CG1 3.85Å; M271-V294 HydrophobicContact CG-CG1 4.11Å; M271-T295 CarbonylContact C-O 3.56Å; M271-T295 VanDerWaalsContact CA-O 3.31Å; M271-T295 WeakPolarHBondContact CA-O 3.46Å; M271-M309 HydrophobicContact CE-CG 3.77Å; M271-M309 HydrophobicContact CE-SD 3.63Å
272V92.1Very high75.5Confident15 Ų1567.7 Ų67.79%0.09136%0.359CS..EExtended strand (participates in β ladder)trans-137.3135.5-171.1-172.40000109Q231 R233 V294 T295Q231-V272 HydrophobicContact CG-CG1 3.68Å; Q231-V272 VanDerWaalsContact NE2-CG1 3.29Å; R233-V272 HydrophobicContact CB-CB 4.48Å; R233-V272 HydrophobicContact CB-CG1 4.32Å; R233-V272 HydrophobicContact CB-CG2 3.96Å; V272-V294 WeakPolarHBondContact O-CA 3.09Å; V272-T295 PolarHBondContact N-O 3.4Å; V272-T295 PolarHBondContact O-N 3.46Å
273I90.9Very high73.9Confident4 Ų467.9 Ų67.92%0.02136%0.355CS..EExtended strand (participates in β ladder)trans-94.7121.1168.5-61176.9000108.2L232 V247 T250 V252 P292 E293L232-I273 HydrophobicContact CB-CB 4.3Å; L232-I273 PolarHBondContact O-N 3.17Å; V247-I273 HydrophobicContact CB-CD1 4.47Å; V247-I273 HydrophobicContact CG1-CD1 4.1Å; T250-I273 HydrophobicContact CG2-CD1 3.51Å; V252-I273 HydrophobicContact CB-CD1 4.24Å; V252-I273 HydrophobicContact CG2-CD1 3.79Å; V252-I273 HydrophobicContact CG2-CG1 4.37Å; I273-P292 HydrophobicContact CG2-CB 3.76Å; I273-E293 WeakPolarHBondContact CA-O 3.31Å
274N86.3Confident72.3Confident30 Ų3068.9 Ų68.916%0.1636%0.36CS..EExtended strand (participates in β ladder)trans-88.2141-179.5-63.7-22.8000110.5Q231 G276 E293 T295Q231-N274 PolarHBondContact NE2-OD1 2.92Å; N274-G276 PolarHBondContact O-N 2.88Å; N274-E293 HydrophobicContact CB-CB 4.13Å; N274-E293 HydrophobicContact CB-CG 3.87Å; N274-E293 WeakPolarHBondContact CB-OE1 3.35Å; N274-E293 PolarHBondContact N-O 3.49Å; N274-E293 PolarHBondContact ND2-OE1 3.05Å; N274-T295 PolarHBondContact ND2-OG1 3.37Å
275Q69.3Low71.1Confident80 Ų8064.1 Ų64.137%0.37435%0.349SS..  trans-83.6111173.6-65.1177.837.400108.3R229 E277R229-Q275 PolarHBondContact O-NE2 2.73Å; Q275-E277 PolarHBondContact O-N 3.4Å
276G56.6Low70.3Confident0 Ų062 Ų620%034%0.343CS..THydrogen-bonded Turntrans-77.928.4-168.100000115.5N274 L278 S279 A280N274-G276 PolarHBondContact O-N 2.88Å; G276-L278 PolarHBondContact O-N 3.29Å; G276-S279 WeakPolarHBondContact CA-OG 3.33Å; G276-S279 PolarHBondContact O-N 3.06Å; G276-A280 PolarHBondContact O-N 3.1Å; G276-A280 VanDerWaalsContact O-N 3.15Å
277E47.3Very low70Confident115 Ų11559.7 Ų59.754%0.53732%0.323SS..THydrogen-bonded Turntrans-66.4-19.8-176.5-153.5162.2-124.500112.3Q275 Q281Q275-E277 PolarHBondContact O-N 3.4Å; E277-Q281 PolarHBondContact O-NE2 2.85Å
278L44.2Very low69.9Low139 Ų13956.7 Ų56.773%0.72831%0.312SS*.THydrogen-bonded Turntrans-101.3-35.7171.5-68.6166.6000113.4G276 Q281G276-L278 PolarHBondContact O-N 3.29Å; L278-Q281 PolarHBondContact O-N 2.8Å
279S46.7Very low69.8Low5 Ų550.8 Ų50.84%0.03528%0.284CS..G310 helixtrans-75.4-26.7-174.544.20000114.1G276 Q281 T282 E293G276-S279 WeakPolarHBondContact CA-OG 3.33Å; G276-S279 PolarHBondContact O-N 3.06Å; S279-Q281 PolarHBondContact O-N 2.96Å; S279-T282 PolarHBondContact O-N 3.39Å; S279-E293 WeakPolarHBondContact CB-OE2 3.28Å; S279-E293 PolarHBondContact OG-OE2 2.96Å
280A48Very low69.7Low57 Ų5750.8 Ų50.847%0.47128%0.284SS..G310 helixtrans-67.1-12174.800000114.4G276G276-A280 PolarHBondContact O-N 3.1Å; G276-A280 VanDerWaalsContact O-N 3.15Å
281Q48Very low69.5Low161 Ų16149.7 Ų49.775%0.75228%0.28SS*.G310 helixtrans-92.9-2.1176.6-61.6179.443.200113E277 L278 S279E277-Q281 PolarHBondContact O-NE2 2.85Å; L278-Q281 PolarHBondContact O-N 2.8Å; S279-Q281 PolarHBondContact O-N 2.96Å
282T46.5Very low69.4Low74 Ų7450.1 Ų50.145%0.45428%0.282SS..SBendtrans-115.70.2-174.2-29.40000113.1S279S279-T282 PolarHBondContact O-N 3.39Å
283L57.5Low69.3Low31 Ų3149.6 Ų49.616%0.16228%0.279CS..  trans-78.8121170.1-65.1168.3000108.1E287 L289 K327 V370L283-E287 HydrophobicContact CB-CB 4.16Å; L283-E287 WeakPolarHBondContact CD2-OE2 3.47Å; L283-L289 HydrophobicContact CD1-CD2 4.11Å; L283-L289 HydrophobicContact CD1-CG 4.08Å; L283-K327 HydrophobicContact CD2-CD 4.49Å; L283-V370 HydrophobicContact CD2-CG1 4.32Å; L283-V370 HydrophobicContact CD2-CG2 3.95Å
284E54.2Low69.5Low171 Ų17149.5 Ų49.580%0.79928%0.278SS*.  trans-82.8138.7177.8-62.3-175.115900109.2E287E284-E287 WeakPolarHBondContact O-CG 3.39Å
285G60.3Low69.8Low62 Ų6249.5 Ų49.564%0.63928%0.279SS*.THydrogen-bonded Turntrans84.7-146.9174.600000116E287G285-E287 VanDerWaalsContact C-N 3.31Å
286C72.9Confident70.9Confident50 Ų5045.8 Ų45.834%0.33826%0.262SS..THydrogen-bonded Turntrans-91.413.9-174.2-69.20000113.9
287E86.3Confident72.5Confident32 Ų3246 Ų4615%0.1527%0.265CS..  trans-68.4140.8-174.8-68.6-179.5179.700113.4L283 E284 G285 K327 V370 E372L283-E287 HydrophobicContact CB-CB 4.16Å; L283-E287 WeakPolarHBondContact CD2-OE2 3.47Å; E284-E287 WeakPolarHBondContact O-CG 3.39Å; G285-E287 VanDerWaalsContact C-N 3.31Å; E287-K327 IonicContact OE1-NZ 2.82Å; E287-K327 PolarHBondContact OE1-NZ 3.34Å; E287-K327 IonicContact OE2-NZ 3.9Å; E287-K327 PolarHBondContact OE2-NZ 2.96Å; E287-V370 HydrophobicContact CB-CG1 3.68Å; E287-V370 HydrophobicContact CG-CG1 3.94Å; E287-E372 HydrophobicContact CG-CB 4.47Å
288I88.4Confident74.4Confident3 Ų343 Ų432%0.01526%0.255CS..EExtended strand (participates in β ladder)trans-126.8149.4168.864.5163.6000111.5L290 W322 V370 G371 K380 W470I288-L290 HydrophobicContact CD1-CD2 3.95Å; I288-L290 HydrophobicContact CG1-CD2 4.03Å; I288-W322 HydrophobicContact CD1-CH2 3.93Å; I288-W322 HydrophobicContact CD1-CZ3 4.4Å; I288-W322 HydrophobicContact CG1-CH2 4.35Å; I288-W322 HydrophobicContact CG1-CZ3 4.33Å; I288-V370 CarbonylContact O-C 3.53Å; I288-V370 WeakPolarHBondContact O-CA 3.5Å; I288-G371 PolarHBondContact N-O 3.1Å; I288-G371 PolarHBondContact O-N 2.84Å; I288-K380 HydrophobicContact CD1-CD 3.95Å; I288-W470 HydrophobicContact CD1-CD2 4.36Å; I288-W470 HydrophobicContact CD1-CZ2 4.28Å; I288-W470 HydrophobicContact CG2-CG 4.48Å
289L89.6Confident76.1Confident2 Ų242.3 Ų42.31%0.0126%0.262CS..EExtended strand (participates in β ladder)trans-68.4134.6164.9-52.7162.4000108.8L283 A368 L369 V370 N473L283-L289 HydrophobicContact CD1-CD2 4.11Å; L283-L289 HydrophobicContact CD1-CG 4.08Å; L289-A368 HydrophobicContact CD2-CB 3.84Å; L289-L369 WeakPolarHBondContact CA-O 3.36Å; L289-V370 HydrophobicContact CD2-CG2 4.21Å; L289-N473 WeakPolarHBondContact CB-ND2 3.38Å; L289-N473 HydrophobicContact CD1-CB 4.49Å; L289-N473 PolarHBondContact N-ND2 3.35Å; L289-N473 VanDerWaalsContact N-ND2 3.18Å; L289-N473 PolarHBondContact O-ND2 2.86Å
290L91.4Very high77.6Confident0 Ų044.4 Ų44.40%029%0.285CS..SBendtrans-99.4-7.8176.6-65178.8000113I288 H313 C314 A315 W322 I324 L369I288-L290 HydrophobicContact CD1-CD2 3.95Å; I288-L290 HydrophobicContact CG1-CD2 4.03Å; L290-H313 HydrophobicContact CB-CB 4.36Å; L290-H313 CarbonylContact O-C 3.58Å; L290-H313 WeakPolarHBondContact O-CA 3.37Å; L290-H313 VanDerWaalsContact O-CB 3.28Å; L290-H313 WeakPolarHBondContact O-CB 3.22Å; L290-C314 PolarHBondContact O-N 3.5Å; L290-C314 PolarHBondContact O-SG 2.77Å; L290-A315 HydrophobicContact CD1-CB 3.83Å; L290-A315 HydrophobicContact CD2-CB 4.02Å; L290-A315 HydrophobicContact CG-CB 4.41Å; L290-W322 HydrophobicContact CD2-CH2 3.93Å; L290-W322 HydrophobicContact CD2-CZ2 4.47Å; L290-W322 HydrophobicContact CD2-CZ3 4.09Å; L290-I324 HydrophobicContact CD1-CD1 4.07Å; L290-I324 HydrophobicContact CD1-CG1 4.04Å; L290-I324 HydrophobicContact CD1-CG2 4.01Å; L290-L369 HydrophobicContact CB-CD2 4.03Å; L290-L369 HydrophobicContact CB-CG 4.27Å; L290-L369 HydrophobicContact CD1-CD2 4.34Å; L290-L369 HydrophobicContact CD1-CG 4.43Å; L290-L369 PolarHBondContact N-O 2.79Å
291G90.4Very high79.4Confident13 Ų1342.1 Ų42.113%0.13426%0.264CS..SBendtrans-161.1-178.2-179.900000111.2
292P90.3Very high81.1Confident8 Ų840.1 Ų40.15%0.05226%0.259CS..  trans-65150.817825.4-32.5000112.7V252 I273 V294 V311 H409V252-P292 HydrophobicContact CG2-CG 3.81Å; I273-P292 HydrophobicContact CG2-CB 3.76Å; P292-V294 HydrophobicContact CB-CG2 4.4Å; P292-V294 HydrophobicContact CG-CG2 4.24Å; P292-V311 HydrophobicContact CG-CG1 3.86Å; P292-H409 HydrophobicContact CG-CB 4.49Å
293E91.4Very high83Confident5 Ų538.3 Ų38.32%0.02325%0.246CC..EExtended strand (participates in β ladder)trans-75.1125.4164.5179.7-178148.300109I273 N274 S279 W335I273-E293 WeakPolarHBondContact CA-O 3.31Å; N274-E293 HydrophobicContact CB-CB 4.13Å; N274-E293 HydrophobicContact CB-CG 3.87Å; N274-E293 WeakPolarHBondContact CB-OE1 3.35Å; N274-E293 PolarHBondContact N-O 3.49Å; N274-E293 PolarHBondContact ND2-OE1 3.05Å; S279-E293 WeakPolarHBondContact CB-OE2 3.28Å; S279-E293 PolarHBondContact OG-OE2 2.96Å; E293-W335 HydrophobicContact CG-CH2 3.92Å; E293-W335 HydrophobicContact CG-CZ2 4.34Å
294V93.3Very high84.5Confident1 Ų141.4 Ų41.41%0.00626%0.258CS..EExtended strand (participates in β ladder)trans-125.2122.7-174.8-173.80000110.6V252 M271 V272 P292 M309 V311 Y367V252-V294 HydrophobicContact CG1-CB 4.48Å; V252-V294 HydrophobicContact CG1-CG1 3.77Å; V252-V294 HydrophobicContact CG1-CG2 3.82Å; V252-V294 HydrophobicContact CG2-CG2 4.14Å; M271-V294 HydrophobicContact CE-CG1 3.85Å; M271-V294 HydrophobicContact CG-CG1 4.11Å; V272-V294 WeakPolarHBondContact O-CA 3.09Å; P292-V294 HydrophobicContact CB-CG2 4.4Å; P292-V294 HydrophobicContact CG-CG2 4.24Å; V294-M309 HydrophobicContact CB-CE 4.27Å; V294-M309 HydrophobicContact CB-SD 4.18Å; V294-M309 HydrophobicContact CG1-CE 4.4Å; V294-M309 HydrophobicContact CG1-SD 3.66Å; V294-V311 HydrophobicContact CG2-CG1 4.4Å; V294-V311 HydrophobicContact CG2-CG2 4.15Å; V294-Y367 PolarHBondContact N-O 3.42Å; V294-Y367 PolarHBondContact O-N 2.87Å
295T93.3Very high86.1Confident30 Ų3034.7 Ų34.718%0.18423%0.23CC..EExtended strand (participates in β ladder)trans-99.7135.1169.4-55.70000110.2M271 V272 N274 G365 S366M271-T295 CarbonylContact C-O 3.56Å; M271-T295 VanDerWaalsContact CA-O 3.31Å; M271-T295 WeakPolarHBondContact CA-O 3.46Å; V272-T295 PolarHBondContact N-O 3.4Å; V272-T295 PolarHBondContact O-N 3.46Å; N274-T295 PolarHBondContact ND2-OG1 3.37Å; T295-G365 WeakPolarHBondContact CA-O 3.23Å; T295-S366 WeakPolarHBondContact OG1-CB 3.38Å; T295-S366 PolarHBondContact OG1-OG 3.41Å
296Y93.6Very high87.7Confident2 Ų231.9 Ų31.91%0.00820%0.201CC..EExtended strand (participates in β ladder)trans-127146.3161.584.3-80.4000111.2L254 C270 V307 M309 L361 Q363 P364 G365 Y367L254-Y296 HydrophobicContact CD1-CD2 4.43Å; L254-Y296 HydrophobicContact CD1-CG 4.42Å; L254-Y296 HydrophobicContact CD2-CD2 3.9Å; L254-Y296 HydrophobicContact CD2-CG 4.27Å; C270-Y296 VanDerWaalsContact O-CA 3.29Å; C270-Y296 WeakPolarHBondContact O-CA 3.37Å; Y296-V307 HydrophobicContact CD2-CG2 4.45Å; Y296-V307 HydrophobicContact CE1-CG2 4.48Å; Y296-V307 HydrophobicContact CE2-CG2 3.56Å; Y296-V307 VanDerWaalsContact OH-CG2 3.29Å; Y296-V307 WeakPolarHBondContact OH-CG2 3.35Å; Y296-M309 HydrophobicContact CD1-SD 4.37Å; Y296-L361 HydrophobicContact CD1-CD1 4.48Å; Y296-L361 HydrophobicContact CE1-CB 4.18Å; Y296-L361 HydrophobicContact CE1-CD1 3.72Å; Y296-L361 VanDerWaalsContact OH-CB 3.3Å; Y296-L361 WeakPolarHBondContact OH-CB 3.36Å; Y296-L361 PolarHBondContact OH-O 3.2Å; Y296-Q363 PolarHBondContact OH-O 3.48Å; Y296-P364 HydrophobicContact CD2-CB 4.49Å; Y296-P364 HydrophobicContact CE2-CB 4.25Å; Y296-G365 PolarHBondContact N-O 2.99Å; Y296-G365 PolarHBondContact O-N 2.7Å; Y296-Y367 HydrophobicContact CD1-CD2 4.37Å; Y296-Y367 HydrophobicContact CD1-CE2 4.33Å; Y296-Y367 HydrophobicContact CE1-CD2 4.19Å; Y296-Y367 AromaticContact CE1-CE2 3.77Å; Y296-Y367 HydrophobicContact CE1-CE2 3.77Å
297G89.2Confident88.7Confident6 Ų629.5 Ų29.56%0.06219%0.185CC..EExtended strand (participates in β ladder)trans-162.1-173.5-173.300000113.4M269 C270M269-G297 WeakPolarHBondContact CA-O 3.38Å; C270-G297 PolarHBondContact N-O 2.89Å; C270-G297 VanDerWaalsContact N-O 3.12Å; C270-G297 PolarHBondContact O-N 2.97Å; C270-G297 VanDerWaalsContact O-N 3.08Å
298P87.6Confident89.1Confident50 Ų5028 Ų2833%0.32518%0.177SC..  cis-78.5165.816.831-37.9000115.5W267 E268 G300 L301 P364W267-P298 HydrophobicContact CE3-CG 4.15Å; W267-P298 HydrophobicContact CZ3-CG 4.3Å; E268-P298 VanDerWaalsContact O-CD 3.31Å; E268-P298 WeakPolarHBondContact O-CD 3.44Å; P298-G300 PolarHBondContact O-N 2.92Å; P298-L301 WeakPolarHBondContact O-CB 3.36Å; P298-L301 PolarHBondContact O-N 2.82Å; P298-P364 VanDerWaalsContact O-CB 3.29Å; P298-P364 WeakPolarHBondContact O-CB 3.45Å; P298-P364 VanDerWaalsContact O-CG 3.28Å; P298-P364 WeakPolarHBondContact O-CG 3.45Å
299S78.9Confident89.4Confident125 Ų12528 Ų2887%0.87418%0.177SC*.THydrogen-bonded Turntrans-74.115-175.350.40000116.3
300G77.8Confident89.7Confident50 Ų5028 Ų2852%0.51518%0.178SC..THydrogen-bonded Turntrans-138.429.8176.600000112.1P298P298-G300 PolarHBondContact O-N 2.92Å
301L85.8Confident89.8Confident8 Ų828.3 Ų28.34%0.04218%0.18CC..  trans-83110.6-177175.676.3000110.6W267 M269 P298 L303 P364W267-L301 HydrophobicContact CB-CD1 3.7Å; W267-L301 VanDerWaalsContact CD1-CD1 3.48Å; W267-L301 HydrophobicContact CD2-CD1 3.64Å; W267-L301 HydrophobicContact CE3-CD1 4.3Å; W267-L301 HydrophobicContact CG-CD1 3.34Å; M269-L301 HydrophobicContact CE-CD1 4.04Å; M269-L301 HydrophobicContact CE-CD2 3.45Å; M269-L301 VanDerWaalsContact CE-CD2 3.45Å; M269-L301 HydrophobicContact CE-CG 4.32Å; P298-L301 WeakPolarHBondContact O-CB 3.36Å; P298-L301 PolarHBondContact O-N 2.82Å; L301-L303 HydrophobicContact CD2-CD1 3.93Å; L301-L303 HydrophobicContact CD2-CD2 4Å; L301-L303 HydrophobicContact CD2-CG 3.91Å; L301-L303 HydrophobicContact CG-CD2 4.19Å; L301-L303 HydrophobicContact CG-CG 4.01Å; L301-L303 PolarHBondContact O-N 2.56Å; L301-P364 HydrophobicContact CB-CG 4.12Å
302D83.9Confident90Very high119 Ų11928 Ų2864%0.63618%0.176SC*.  trans-79.9115.8172.2-72.4-31.7000110.9
303L87.4Confident90.2Very high37 Ų3727.6 Ų27.619%0.19417%0.173CC..  trans-110.2135.2178.1-70170.6000111.4A260 M269 L301 V307A260-L303 HydrophobicContact CB-CD2 4.16Å; A260-L303 WeakPolarHBondContact O-CA 3.39Å; M269-L303 HydrophobicContact CE-CD2 4.04Å; L301-L303 HydrophobicContact CD2-CD1 3.93Å; L301-L303 HydrophobicContact CD2-CD2 4Å; L301-L303 HydrophobicContact CD2-CG 3.91Å; L301-L303 HydrophobicContact CG-CD2 4.19Å; L301-L303 HydrophobicContact CG-CG 4.01Å; L301-L303 PolarHBondContact O-N 2.56Å; L303-V307 HydrophobicContact CD1-CG1 3.87Å; L303-V307 HydrophobicContact CD1-CG2 4.33Å; L303-V307 HydrophobicContact CD2-CG1 4.12Å
304F88.3Confident90.3Very high95 Ų9527.4 Ų27.442%0.41717%0.172SC..SBendtrans-89.7-14.2176.8-69.7-83.7000114.1A260 A262A260-F304 PolarHBondContact O-N 2.82Å; A262-F304 HydrophobicContact CB-CE2 3.8Å; A262-F304 HydrophobicContact CB-CZ 4.39Å
305C88.2Confident90.3Very high31 Ų3127.3 Ų27.321%0.20917%0.172CC..SBendtrans-150.7155.817268.50000109.8A260A260-C305 VanDerWaalsContact CA-SG 3.51Å
306P93.1Very high90.4Very high3 Ų330.7 Ų30.72%0.01919%0.185CC..  trans-55.2146178.918.6-32.6000113.1P257 L360 L361 D362 V591P257-P306 WeakPolarHBondContact CD-O 3.16Å; P257-P306 WeakPolarHBondContact CG-O 3.47Å; P306-L360 HydrophobicContact CB-CB 4.15Å; P306-L361 WeakPolarHBondContact CA-O 3.36Å; P306-D362 WeakPolarHBondContact CB-OD1 3.47Å; P306-V591 HydrophobicContact CG-CG1 3.91Å; P306-V591 HydrophobicContact CG-CG2 4Å
307V94.1Very high90.2Very high0 Ų033.6 Ų33.60%020%0.203CC..EExtended strand (participates in β ladder)trans-88.8148.6164-66.50000110L254 V256 M269 Y296 L303 L360 L361L254-V307 HydrophobicContact CD1-CB 4.08Å; L254-V307 HydrophobicContact CD1-CG2 3.87Å; L254-V307 HydrophobicContact CG-CB 4.48Å; V256-V307 HydrophobicContact CG1-CG1 4.43Å; V256-V307 HydrophobicContact CG2-CG1 4.33Å; M269-V307 HydrophobicContact CE-CG1 4.49Å; Y296-V307 HydrophobicContact CD2-CG2 4.45Å; Y296-V307 HydrophobicContact CE1-CG2 4.48Å; Y296-V307 HydrophobicContact CE2-CG2 3.56Å; Y296-V307 VanDerWaalsContact OH-CG2 3.29Å; Y296-V307 WeakPolarHBondContact OH-CG2 3.35Å; L303-V307 HydrophobicContact CD1-CG1 3.87Å; L303-V307 HydrophobicContact CD1-CG2 4.33Å; L303-V307 HydrophobicContact CD2-CG1 4.12Å; V307-L360 WeakPolarHBondContact O-CA 3.21Å; V307-L361 HydrophobicContact CG2-CB 4.33Å; V307-L361 WeakPolarHBondContact CG2-O 3.31Å; V307-L361 PolarHBondContact N-O 3.02Å; V307-L361 PolarHBondContact O-N 2.81Å
308A95.1Very high90.2Very high0 Ų036.5 Ų36.50%022%0.217CC..EExtended strand (participates in β ladder)trans-103.7108.5177.800000110.1L255 L359 L360 A598L255-A308 HydrophobicContact CB-CB 4.25Å; L255-A308 PolarHBondContact N-O 2.88Å; L255-A308 PolarHBondContact O-N 2.93Å; A308-L359 CarbonylContact C-O 3.53Å; A308-L359 WeakPolarHBondContact CA-O 3.46Å; A308-L360 HydrophobicContact CB-CD2 3.73Å; A308-A598 HydrophobicContact CB-CB 3.74Å
309M95.3Very high90.2Very high2 Ų236.8 Ų36.81%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-97.7127176.6-172.1167.374.900110.5S253 L254 M271 V294 Y296 V311 H358 L359 L361S253-M309 CarbonylContact O-C 3.51Å; S253-M309 WeakPolarHBondContact O-CA 3.28Å; L254-M309 HydrophobicContact CD1-CB 3.8Å; L254-M309 HydrophobicContact CD1-CG 4.2Å; M271-M309 HydrophobicContact CE-CG 3.77Å; M271-M309 HydrophobicContact CE-SD 3.63Å; V294-M309 HydrophobicContact CB-CE 4.27Å; V294-M309 HydrophobicContact CB-SD 4.18Å; V294-M309 HydrophobicContact CG1-CE 4.4Å; V294-M309 HydrophobicContact CG1-SD 3.66Å; Y296-M309 HydrophobicContact CD1-SD 4.37Å; M309-V311 HydrophobicContact CE-CG2 3.95Å; M309-V311 HydrophobicContact CG-CG2 4.09Å; M309-V311 HydrophobicContact SD-CG2 4.47Å; M309-H358 WeakPolarHBondContact O-CA 3.32Å; M309-L359 HydrophobicContact CB-CB 4.46Å; M309-L359 HydrophobicContact CE-CD1 3.88Å; M309-L359 PolarHBondContact N-O 2.87Å; M309-L359 PolarHBondContact O-N 2.83Å; M309-L361 HydrophobicContact CB-CD1 4.18Å; M309-L361 HydrophobicContact CE-CD1 3.77Å; M309-L361 HydrophobicContact SD-CD1 4.46Å
310T95.6Very high90.7Very high3 Ų338.3 Ų38.32%0.01822%0.217CC..EExtended strand (participates in β ladder)trans-100.9132.4173-58.70000109.3V252 S253 C357 H358 A598V252-T310 WeakPolarHBondContact CA-O 3.44Å; S253-T310 PolarHBondContact N-O 2.81Å; S253-T310 PolarHBondContact O-N 2.65Å; T310-C357 WeakPolarHBondContact CA-O 3.46Å; T310-H358 WeakPolarHBondContact CG2-CE1 3.29Å; T310-H358 WeakPolarHBondContact CG2-ND1 3.43Å; T310-H358 PolarHBondContact OG1-CE1 3.36Å; T310-H358 PolarHBondContact OG1-ND1 3.25Å; T310-A598 PolarHBondContact OG1-O 2.82Å
311V94.5Very high91.3Very high7 Ų737 Ų374%0.04220%0.198CC..EExtended strand (participates in β ladder)trans-134.9130176.4-175.20000109.6V252 P292 V294 M309 S356 C357V252-V311 HydrophobicContact CG2-CG1 4.48Å; P292-V311 HydrophobicContact CG-CG1 3.86Å; V294-V311 HydrophobicContact CG2-CG1 4.4Å; V294-V311 HydrophobicContact CG2-CG2 4.15Å; M309-V311 HydrophobicContact CE-CG2 3.95Å; M309-V311 HydrophobicContact CG-CG2 4.09Å; M309-V311 HydrophobicContact SD-CG2 4.47Å; V311-S356 CarbonylContact O-C 3.49Å; V311-S356 WeakPolarHBondContact O-CA 3.32Å; V311-C357 PolarHBondContact N-O 3.42Å; V311-C357 PolarHBondContact O-N 3.27Å
312A93.9Very high91.7Very high6 Ų636.8 Ų36.85%0.0520%0.197CC..EExtended strand (participates in β ladder)trans-73.1140.6173.500000111.7G251 S355 T407 P408G251-A312 PolarHBondContact O-N 3.45Å; A312-S355 WeakPolarHBondContact CA-O 3.31Å; A312-T407 HydrophobicContact CB-CG2 4.37Å; A312-P408 HydrophobicContact CB-CG 4.43Å
313H93.8Very high92.1Very high0 Ų032.4 Ų32.40%017%0.174CC..  trans-129.8163.5176.267.381.5000112.9L290 A315 M352 D353 S355 S356 L369 R381L290-H313 HydrophobicContact CB-CB 4.36Å; L290-H313 CarbonylContact O-C 3.58Å; L290-H313 WeakPolarHBondContact O-CA 3.37Å; L290-H313 VanDerWaalsContact O-CB 3.28Å; L290-H313 WeakPolarHBondContact O-CB 3.22Å; H313-A315 PolarHBondContact CE1-O 3.04Å; H313-A315 PolarHBondContact ND1-N 2.95Å; H313-A315 PolarHBondContact ND1-O 3.1Å; H313-M352 WeakPolarHBondContact NE2-CE 3.49Å; H313-D353 PolarHBondContact CE1-O 3.17Å; H313-D353 PolarHBondContact NE2-O 3.18Å; H313-D353 VanDerWaalsContact NE2-O 3.15Å; H313-S355 PolarHBondContact N-O 3.25Å; H313-S356 PolarHBondContact CD2-N 2.81Å; H313-S356 PolarHBondContact NE2-N 3.32Å; H313-S356 PolarHBondContact NE2-O 2.98Å; H313-L369 HydrophobicContact CB-CD2 3.84Å; H313-R381 PolarHBondContact O-NH2 3.21Å
314C93.6Very high92.4Very high0 Ų030.9 Ų30.90%017%0.166CC..  trans-102.8-9.717957.80000114.6L290 K380 R381 D405 T407L290-C314 PolarHBondContact O-N 3.5Å; L290-C314 PolarHBondContact O-SG 2.77Å; C314-K380 HydrophobicContact CB-CD 4.46Å; C314-K380 HydrophobicContact CB-CG 3.94Å; C314-K380 VanDerWaalsContact SG-CD 3.57Å; C314-K380 VanDerWaalsContact SG-CG 3.57Å; C314-R381 WeakPolarHBondContact O-CB 3.5Å; C314-R381 PolarHBondContact O-N 3.38Å; C314-D405 HydrophobicContact CB-CB 3.9Å; C314-D405 PolarHBondContact SG-OD2 2.86Å; C314-T407 HydrophobicContact CB-CG2 4.28Å
315A94Very high92.6Very high0 Ų027.1 Ų27.10%015%0.149CC..BIsolated β-bridgetrans-62.2147.1176.100000113.1L290 H313 I324 R381L290-A315 HydrophobicContact CD1-CB 3.83Å; L290-A315 HydrophobicContact CD2-CB 4.02Å; L290-A315 HydrophobicContact CG-CB 4.41Å; H313-A315 PolarHBondContact CE1-O 3.04Å; H313-A315 PolarHBondContact ND1-N 2.95Å; H313-A315 PolarHBondContact ND1-O 3.1Å; A315-I324 HydrophobicContact CB-CD1 4.34Å; A315-R381 PolarHBondContact O-NH2 3.22Å
316E94Very high92.8Very high100 Ų10025.7 Ų25.747%0.46714%0.14SC..  trans-90.8115.6154.8-172.1170.6-179.800107.1D318 W322 V379E316-D318 PolarHBondContact O-N 2.7Å; E316-W322 PolarHBondContact O-NE1 2.76Å; E316-V379 HydrophobicContact CB-CB 3.94Å; E316-V379 HydrophobicContact CB-CG1 4.07Å; E316-V379 PolarHBondContact N-O 2.96Å; E316-V379 WeakPolarHBondContact OE2-CB 3.48Å; E316-V379 WeakPolarHBondContact OE2-CG1 3.37Å
317V89.5Confident92.7Very high63 Ų6326.7 Ų26.738%0.38214%0.144SC..  trans-82.3112.7-164.6-176.30000110.3I324 M352V317-I324 HydrophobicContact CG1-CD1 4.39Å; V317-I324 HydrophobicContact CG2-CD1 4.47Å; V317-M352 HydrophobicContact CG1-CB 4.03Å; V317-M352 HydrophobicContact CG1-CG 4.43Å; V317-M352 HydrophobicContact CG2-CB 4.22Å; V317-M352 HydrophobicContact CG2-CE 3.66Å
318D90.1Very high92.5Very high67 Ų6729.3 Ų29.336%0.35815%0.154SC..  trans-149.9120.1179.3-178.4-1000109.9E316 E320 N321 W322E316-D318 PolarHBondContact O-N 2.7Å; D318-E320 VanDerWaalsContact C-N 3.32Å; D318-E320 PolarHBondContact O-N 2.89Å; D318-E320 PolarHBondContact OD1-N 3.43Å; D318-E320 VanDerWaalsContact OD1-N 3.14Å; D318-N321 HydrophobicContact CB-CB 4.31Å; D318-N321 PolarHBondContact O-N 2.61Å; D318-N321 VanDerWaalsContact O-N 3.16Å; D318-N321 PolarHBondContact OD2-ND2 2.88Å; D318-W322 PolarHBondContact O-N 3.04Å
319A86.8Confident92.2Very high57 Ų5731.1 Ų31.147%0.47116%0.162SC..THydrogen-bonded Turntrans-67.5-28.7-174.600000113.3N321 E342A319-N321 PolarHBondContact O-N 2.99Å; A319-E342 WeakPolarHBondContact CA-OE1 3.5Å; A319-E342 WeakPolarHBondContact CB-OE1 3.25Å
320E90.1Very high91.7Very high156 Ų15633 Ų3373%0.72917%0.173SC*.THydrogen-bonded Turntrans-70.3-18.6176.9-63-171.7-179.900112D318 T375D318-E320 VanDerWaalsContact C-N 3.32Å; D318-E320 PolarHBondContact O-N 2.89Å; D318-E320 PolarHBondContact OD1-N 3.43Å; D318-E320 VanDerWaalsContact OD1-N 3.14Å; E320-T375 WeakPolarHBondContact O-CG2 3.09Å
321N91.4Very high91Very high23 Ų2342.7 Ų42.712%0.12322%0.218CC..THydrogen-bonded Turntrans-121.7-22-165.1-69-44.2000114.2D318 A319 L374 T375 A378D318-N321 HydrophobicContact CB-CB 4.31Å; D318-N321 PolarHBondContact O-N 2.61Å; D318-N321 VanDerWaalsContact O-N 3.16Å; D318-N321 PolarHBondContact OD2-ND2 2.88Å; A319-N321 PolarHBondContact O-N 2.99Å; N321-L374 PolarHBondContact O-N 3.26Å; N321-T375 WeakPolarHBondContact OD1-CG2 3.49Å; N321-T375 PolarHBondContact OD1-OG1 3.12Å; N321-A378 HydrophobicContact CB-CB 4.25Å; N321-A378 WeakPolarHBondContact O-CB 3.31Å
322W93.3Very high90.2Very high3 Ų348.5 Ų48.51%0.01125%0.249CC..EExtended strand (participates in β ladder)trans-132.8120.5-176.6-77.3111.3000113I288 L290 E316 D318 I324 P373 A378 V379 W470I288-W322 HydrophobicContact CD1-CH2 3.93Å; I288-W322 HydrophobicContact CD1-CZ3 4.4Å; I288-W322 HydrophobicContact CG1-CH2 4.35Å; I288-W322 HydrophobicContact CG1-CZ3 4.33Å; L290-W322 HydrophobicContact CD2-CH2 3.93Å; L290-W322 HydrophobicContact CD2-CZ2 4.47Å; L290-W322 HydrophobicContact CD2-CZ3 4.09Å; E316-W322 PolarHBondContact O-NE1 2.76Å; D318-W322 PolarHBondContact O-N 3.04Å; W322-I324 HydrophobicContact CB-CD1 4.21Å; W322-I324 HydrophobicContact CB-CG1 3.8Å; W322-I324 PolarHBondContact O-N 2.83Å; W322-P373 HydrophobicContact CE3-CB 4.46Å; W322-P373 HydrophobicContact CZ3-CB 4.27Å; W322-A378 HydrophobicContact CD2-CB 4.06Å; W322-A378 HydrophobicContact CG-CB 4.36Å; W322-A378 HydrophobicContact CZ2-CB 4.15Å; W322-V379 WeakPolarHBondContact CZ2-O 3.39Å; W322-V379 PolarHBondContact NE1-O 3.07Å; W322-V379 VanDerWaalsContact NE1-O 3.14Å; W322-W470 AromaticContact CH2-CH2 3.64Å; W322-W470 HydrophobicContact CH2-CH2 3.64Å; W322-W470 AromaticContact CH2-CZ2 3.32Å; W322-W470 HydrophobicContact CH2-CZ2 3.32Å; W322-W470 AromaticContact CZ2-CH2 3.71Å; W322-W470 HydrophobicContact CZ2-CH2 3.71Å; W322-W470 AromaticContact CZ2-CZ2 3.89Å; W322-W470 HydrophobicContact CZ2-CZ2 3.89Å; W322-W470 HydrophobicContact CZ3-CZ2 4.1Å
323N92.8Very high89.6Confident27 Ų2753 Ų5314%0.14427%0.272CS..EExtended strand (participates in β ladder)trans-82.5102.8158.6171.629.3000107.9Q325 S340 G371 E372 L374N323-Q325 PolarHBondContact ND2-NE2 3.02Å; N323-S340 PolarHBondContact OD1-OG 3.06Å; N323-G371 WeakPolarHBondContact O-CA 3.32Å; N323-E372 HydrophobicContact CB-CB 4.25Å; N323-E372 PolarHBondContact N-O 2.99Å; N323-E372 PolarHBondContact ND2-OE2 2.63Å; N323-E372 PolarHBondContact O-N 3.26Å; N323-L374 HydrophobicContact CB-CD1 4.26Å; N323-L374 HydrophobicContact CB-CD2 3.94Å; N323-L374 HydrophobicContact CB-CG 4.07Å
324I93Very high89.1Confident5 Ų559.4 Ų59.43%0.02630%0.3CS..EExtended strand (participates in β ladder)trans-98.8124.5178.7-56.1-175000109.4L290 A315 V317 W322 S340 V341 M352 L369 V370L290-I324 HydrophobicContact CD1-CD1 4.07Å; L290-I324 HydrophobicContact CD1-CG1 4.04Å; L290-I324 HydrophobicContact CD1-CG2 4.01Å; A315-I324 HydrophobicContact CB-CD1 4.34Å; V317-I324 HydrophobicContact CG1-CD1 4.39Å; V317-I324 HydrophobicContact CG2-CD1 4.47Å; W322-I324 HydrophobicContact CB-CD1 4.21Å; W322-I324 HydrophobicContact CB-CG1 3.8Å; W322-I324 PolarHBondContact O-N 2.83Å; I324-S340 PolarHBondContact O-OG 3Å; I324-V341 HydrophobicContact CB-CB 4.14Å; I324-V341 HydrophobicContact CB-CG2 3.98Å; I324-V341 HydrophobicContact CG2-CB 4.45Å; I324-V341 HydrophobicContact CG2-CG2 3.73Å; I324-V341 WeakPolarHBondContact O-CB 3.34Å; I324-V341 WeakPolarHBondContact O-CG2 3.43Å; I324-V341 PolarHBondContact O-N 3.19Å; I324-M352 HydrophobicContact CD1-CE 4.05Å; I324-M352 HydrophobicContact CG2-SD 4.49Å; I324-L369 HydrophobicContact CG2-CD1 3.64Å; I324-L369 HydrophobicContact CG2-CD2 4.32Å; I324-L369 HydrophobicContact CG2-CG 3.97Å; I324-V370 WeakPolarHBondContact CA-O 3.24Å
325Q92.4Very high88.7Confident16 Ų1661.1 Ų61.18%0.07531%0.307CS..EExtended strand (participates in β ladder)trans-122.5145.1-177.3-65.6177.4-28.300111.7N323 E337 M339 V370N323-Q325 PolarHBondContact ND2-NE2 3.02Å; Q325-E337 VanDerWaalsContact CD-OE1 3.3Å; Q325-E337 WeakPolarHBondContact CG-OE1 3.4Å; Q325-E337 PolarHBondContact NE2-OE1 2.96Å; Q325-E337 PolarHBondContact NE2-OE2 2.89Å; Q325-M339 WeakPolarHBondContact CA-O 3.34Å; Q325-V370 PolarHBondContact N-O 2.98Å; Q325-V370 PolarHBondContact O-N 2.86Å
326L92.4Very high88.5Confident1 Ų164.4 Ų64.41%0.00532%0.322CS..EExtended strand (participates in β ladder)trans-96.7115.2165.5-177.869000108.8V338 M339 L359 L361 Y367L326-V338 PolarHBondContact O-N 2.89Å; L326-M339 HydrophobicContact CB-CG 3.76Å; L326-M339 HydrophobicContact CD2-CG 4.32Å; L326-M339 PolarHBondContact N-O 2.9Å; L326-M339 PolarHBondContact O-N 2.95Å; L326-L359 HydrophobicContact CD1-CD1 3.64Å; L326-L359 HydrophobicContact CD1-CD2 4.36Å; L326-L359 HydrophobicContact CD2-CD1 4.29Å; L326-L359 HydrophobicContact CD2-CD2 4.26Å; L326-L361 HydrophobicContact CD2-CD2 4.01Å; L326-Y367 HydrophobicContact CD1-CD1 4.19Å; L326-Y367 HydrophobicContact CD2-CD1 4.05Å; L326-Y367 HydrophobicContact CD2-CE1 4.38Å; L326-Y367 HydrophobicContact CG-CD1 4.13Å
327K91.1Very high88.2Confident24 Ų2464.1 Ų64.110%0.10432%0.321CS..EExtended strand (participates in β ladder)trans-103.7145.3174.2-57.7-159.8178.7-175.30111L283 E287 W335 E336 Y367 A368 V370L283-K327 HydrophobicContact CD2-CD 4.49Å; E287-K327 IonicContact OE1-NZ 2.82Å; E287-K327 PolarHBondContact OE1-NZ 3.34Å; E287-K327 IonicContact OE2-NZ 3.9Å; E287-K327 PolarHBondContact OE2-NZ 2.96Å; K327-W335 HydrophobicContact CB-CE3 3.76Å; K327-W335 HydrophobicContact CB-CZ3 4.41Å; K327-W335 HydrophobicContact CD-CB 4.44Å; K327-E336 CarbonylContact C-O 3.52Å; K327-E336 WeakPolarHBondContact CA-O 3.31Å; K327-E336 WeakPolarHBondContact CB-O 2.99Å; K327-Y367 WeakPolarHBondContact O-CA 3.28Å; K327-A368 PolarHBondContact N-O 3.3Å; K327-A368 PolarHBondContact O-N 2.84Å; K327-V370 HydrophobicContact CB-CG2 4.3Å; K327-V370 HydrophobicContact CD-CG2 4.08Å; K327-V370 HydrophobicContact CG-CB 4.41Å; K327-V370 HydrophobicContact CG-CG2 3.97Å
328R90.6Very high88.1Confident55 Ų5562.6 Ų62.621%0.20831%0.311CS..EExtended strand (participates in β ladder)trans-117.2148.6174.6178.8174.172.6170.90.7109.9W335 E336 V338 S366 Y367R328-W335 VanDerWaalsContact C-CE3 3.46Å; R328-W335 WeakPolarHBondContact O-CA 3.26Å; R328-E336 HydrophobicContact CB-CG 4.23Å; R328-E336 IonicContact CZ-OE1 2.66Å; R328-E336 PolarHBondContact N-O 3.14Å; R328-E336 IonicContact NE-OE1 3.16Å; R328-E336 PolarHBondContact NE-OE1 3.34Å; R328-E336 IonicContact NH2-OE1 2.7Å; R328-E336 PolarHBondContact NH2-OE1 3.14Å; R328-E336 PolarHBondContact O-N 2.85Å; R328-V338 HydrophobicContact CB-CG2 3.34Å; R328-S366 CarbonylContact C-O 3.49Å; R328-S366 VanDerWaalsContact CA-O 3.28Å; R328-S366 WeakPolarHBondContact CA-O 3.39Å; R328-S366 WeakPolarHBondContact CG-O 3.48Å; R328-Y367 HydrophobicContact CB-CD1 4.05Å; R328-Y367 HydrophobicContact CB-CE1 3.91Å; R328-Y367 WeakPolarHBondContact CD-OH 3.49Å; R328-Y367 HydrophobicContact CG-CD1 4.37Å; R328-Y367 HydrophobicContact CG-CE1 4.03Å; R328-Y367 HydrophobicContact CG-CE2 4.48Å
329K88.7Confident88Confident39 Ų3960.1 Ų60.117%0.1730%0.298CS..EExtended strand (participates in β ladder)trans-87.6122.2173-140.6179-162.6-162.30110.4D333 W335 S366K329-D333 WeakPolarHBondContact CD-OD1 3.38Å; K329-D333 WeakPolarHBondContact CE-O 3.28Å; K329-D333 WeakPolarHBondContact CE-OD1 3.49Å; K329-D333 WeakPolarHBondContact CE-OD2 3.24Å; K329-D333 IonicContact NZ-OD1 3.96Å; K329-D333 PolarHBondContact NZ-OD1 2.81Å; K329-D333 IonicContact NZ-OD2 3.9Å; K329-D333 PolarHBondContact NZ-OD2 3.08Å; K329-W335 HydrophobicContact CB-CE3 4.35Å; K329-W335 HydrophobicContact CB-CH2 4.34Å; K329-W335 HydrophobicContact CB-CZ3 4.15Å; K329-W335 HydrophobicContact CD-CZ2 4.41Å; K329-W335 HydrophobicContact CG-CD2 4.47Å; K329-W335 HydrophobicContact CG-CZ2 4.47Å; K329-S366 PolarHBondContact N-O 3.21Å
330T84.5Confident88.1Confident40 Ų4057.7 Ų57.725%0.24528%0.277CS..  trans-72.7170.3174.159.90000111.6D332 D333 K334 E336T330-D332 PolarHBondContact O-N 2.63Å; T330-D333 PolarHBondContact O-N 2.69Å; T330-D333 VanDerWaalsContact O-N 3.12Å; T330-K334 WeakPolarHBondContact CB-O 3.41Å; T330-K334 PolarHBondContact N-O 2.79Å; T330-K334 PolarHBondContact OG1-N 2.78Å; T330-K334 PolarHBondContact OG1-O 2.78Å; T330-E336 HydrophobicContact CG2-CB 3.95Å; T330-E336 VanDerWaalsContact CG2-CD 3.46Å; T330-E336 HydrophobicContact CG2-CG 3.76Å; T330-E336 WeakPolarHBondContact CG2-OE2 3.46Å
331Q80.3Confident87.8Confident207 Ų20750.8 Ų50.897%0.96725%0.246SC*.THydrogen-bonded Turntrans-62.6-25174.8-63.5-176.94.900113.1D333Q331-D333 PolarHBondContact O-N 2.88Å
332D79.2Confident87.3Confident129 Ų12954.2 Ų54.269%0.6926%0.261SS*.THydrogen-bonded Turntrans-82.914176.2-68.2-26.1000113.1T330 K334T330-D332 PolarHBondContact O-N 2.63Å; D332-K334 HydrophobicContact CB-CG 4.41Å; D332-K334 PolarHBondContact O-N 2.89Å; D332-K334 VanDerWaalsContact O-N 3.12Å
333D79.3Confident86.8Confident102 Ų10260.5 Ų60.555%0.54529%0.291SS..SBendtrans62.110.2-175.5-144.657.7000115K329 T330 Q331K329-D333 WeakPolarHBondContact CD-OD1 3.38Å; K329-D333 WeakPolarHBondContact CE-O 3.28Å; K329-D333 WeakPolarHBondContact CE-OD1 3.49Å; K329-D333 WeakPolarHBondContact CE-OD2 3.24Å; K329-D333 IonicContact NZ-OD1 3.96Å; K329-D333 PolarHBondContact NZ-OD1 2.81Å; K329-D333 IonicContact NZ-OD2 3.9Å; K329-D333 PolarHBondContact NZ-OD2 3.08Å; T330-D333 PolarHBondContact O-N 2.69Å; T330-D333 VanDerWaalsContact O-N 3.12Å; Q331-D333 PolarHBondContact O-N 2.88Å
334K83.9Confident86.2Confident133 Ų13366 Ų6658%0.57832%0.315SS*.  trans-88.2147.3177.3-62.4177.9-177.4173.50111.9T330 D332T330-K334 WeakPolarHBondContact CB-O 3.41Å; T330-K334 PolarHBondContact N-O 2.79Å; T330-K334 PolarHBondContact OG1-N 2.78Å; T330-K334 PolarHBondContact OG1-O 2.78Å; D332-K334 HydrophobicContact CB-CG 4.41Å; D332-K334 PolarHBondContact O-N 2.89Å; D332-K334 VanDerWaalsContact O-N 3.12Å
335W86.2Confident85.6Confident37 Ų3766.6 Ų66.614%0.1432%0.32CS..EExtended strand (participates in β ladder)trans-78.2131.1170.1-67.4105.8000111.4E293 K327 R328 K329 A368E293-W335 HydrophobicContact CG-CH2 3.92Å; E293-W335 HydrophobicContact CG-CZ2 4.34Å; K327-W335 HydrophobicContact CB-CE3 3.76Å; K327-W335 HydrophobicContact CB-CZ3 4.41Å; K327-W335 HydrophobicContact CD-CB 4.44Å; R328-W335 VanDerWaalsContact C-CE3 3.46Å; R328-W335 WeakPolarHBondContact O-CA 3.26Å; K329-W335 HydrophobicContact CB-CE3 4.35Å; K329-W335 HydrophobicContact CB-CH2 4.34Å; K329-W335 HydrophobicContact CB-CZ3 4.15Å; K329-W335 HydrophobicContact CD-CZ2 4.41Å; K329-W335 HydrophobicContact CG-CD2 4.47Å; K329-W335 HydrophobicContact CG-CZ2 4.47Å; W335-A368 HydrophobicContact CH2-CB 3.62Å; W335-A368 HydrophobicContact CZ2-CB 4.38Å; W335-A368 HydrophobicContact CZ3-CB 3.78Å
336E88.5Confident84.8Confident69 Ų6969.2 Ų69.232%0.32234%0.337SS..EExtended strand (participates in β ladder)trans-115.4144.5166.266.1-175.9175.800109.3K327 R328 T330K327-E336 CarbonylContact C-O 3.52Å; K327-E336 WeakPolarHBondContact CA-O 3.31Å; K327-E336 WeakPolarHBondContact CB-O 2.99Å; R328-E336 HydrophobicContact CB-CG 4.23Å; R328-E336 IonicContact CZ-OE1 2.66Å; R328-E336 PolarHBondContact N-O 3.14Å; R328-E336 IonicContact NE-OE1 3.16Å; R328-E336 PolarHBondContact NE-OE1 3.34Å; R328-E336 IonicContact NH2-OE1 2.7Å; R328-E336 PolarHBondContact NH2-OE1 3.14Å; R328-E336 PolarHBondContact O-N 2.85Å; T330-E336 HydrophobicContact CG2-CB 3.95Å; T330-E336 VanDerWaalsContact CG2-CD 3.46Å; T330-E336 HydrophobicContact CG2-CG 3.76Å; T330-E336 WeakPolarHBondContact CG2-OE2 3.46Å
337E88.2Confident84.3Confident94 Ų9472 Ų7244%0.43936%0.356SS..EExtended strand (participates in β ladder)trans-75.3130.2169.1-176.6174.5-177.500109.8Q325Q325-E337 VanDerWaalsContact CD-OE1 3.3Å; Q325-E337 WeakPolarHBondContact CG-OE1 3.4Å; Q325-E337 PolarHBondContact NE2-OE1 2.96Å; Q325-E337 PolarHBondContact NE2-OE2 2.89Å
338V86.6Confident84Confident30 Ų3071 Ų7118%0.18235%0.352CS..EExtended strand (participates in β ladder)trans-102-35.4177.5-164.90000111.2L326 R328 C348 Y367L326-V338 PolarHBondContact O-N 2.89Å; R328-V338 HydrophobicContact CB-CG2 3.34Å; V338-C348 VanDerWaalsContact CG1-SG 3.56Å; V338-Y367 HydrophobicContact CG2-CE1 4.41Å
339M89.4Confident84.1Confident15 Ų1568.6 Ų68.67%0.07434%0.343CS..EExtended strand (participates in β ladder)trans-163.2148.7173.360.5172.9-62.900111.3Q325 L326 C348 C350Q325-M339 WeakPolarHBondContact CA-O 3.34Å; L326-M339 HydrophobicContact CB-CG 3.76Å; L326-M339 HydrophobicContact CD2-CG 4.32Å; L326-M339 PolarHBondContact N-O 2.9Å; L326-M339 PolarHBondContact O-N 2.95Å; M339-C348 HydrophobicContact SD-CB 4.45Å; M339-C348 PolarHBondContact SD-SG 2.93Å; M339-C350 HydrophobicContact CE-CB 3.59Å; M339-C350 HydrophobicContact SD-CB 3.7Å
340S87.6Confident84.2Confident6 Ų667.1 Ų67.14%0.04234%0.338CS..EExtended strand (participates in β ladder)trans-84.4148.5151.51800000109.9N323 I324 E342 E343N323-S340 PolarHBondContact OD1-OG 3.06Å; I324-S340 PolarHBondContact O-OG 3Å; S340-E342 PolarHBondContact O-N 3.21Å; S340-E343 PolarHBondContact O-N 3.17Å
341V84.1Confident84.6Confident12 Ų1265.7 Ų65.77%0.07333%0.329CS..SBendtrans-69.3-17.7179.1167.50000112.5I324 C350 M352 R577I324-V341 HydrophobicContact CB-CB 4.14Å; I324-V341 HydrophobicContact CB-CG2 3.98Å; I324-V341 HydrophobicContact CG2-CB 4.45Å; I324-V341 HydrophobicContact CG2-CG2 3.73Å; I324-V341 WeakPolarHBondContact O-CB 3.34Å; I324-V341 WeakPolarHBondContact O-CG2 3.43Å; I324-V341 PolarHBondContact O-N 3.19Å; V341-C350 HydrophobicContact CG2-CB 4.22Å; V341-M352 HydrophobicContact CG1-CG 3.62Å; V341-M352 HydrophobicContact CG2-CG 4.2Å; V341-M352 HydrophobicContact CG2-SD 4.36Å; V341-R577 PolarHBondContact O-NH1 2.53Å; V341-R577 PolarHBondContact O-NH2 3.18Å
342E81.1Confident85.1Confident94 Ų9457 Ų5744%0.43929%0.289SS..SBendtrans-90.7-21.1178.2-59.6-167.8175.400113.3A319 S340A319-E342 WeakPolarHBondContact CA-OE1 3.5Å; A319-E342 WeakPolarHBondContact CB-OE1 3.25Å; S340-E342 PolarHBondContact O-N 3.21Å
343E83.4Confident85.7Confident136 Ų13652.5 Ų52.564%0.63627%0.265SS*.SBendtrans-95.4147-175.6-62.9-169.6164.300112.9S340 S345S340-E343 PolarHBondContact O-N 3.17Å; E343-S345 PolarHBondContact O-N 3.05Å
344E79.3Confident86.2Confident142 Ų14252.1 Ų52.166%0.66427%0.27SS*.  trans-74.985.4174.6-69.2-166.9157.100111.7N578E344-N578 HydrophobicContact CG-CB 4.46Å
345S79.9Confident86.6Confident18 Ų1848.5 Ų48.513%0.12626%0.261CS..  trans-71.1155168.1-172.60000112E343 S347 N578E343-S345 PolarHBondContact O-N 3.05Å; S345-S347 PolarHBondContact OG-N 2.76Å; S345-S347 PolarHBondContact OG-OG 3.31Å; S345-S347 VanDerWaalsContact OG-OG 3.08Å; S345-N578 PolarHBondContact O-ND2 3.41Å
346T77.4Confident86.9Confident71 Ų7147.9 Ų47.944%0.43626%0.263SS..SBendtrans-123.75.6173.774.20000114.4K584T346-K584 PolarHBondContact OG1-NZ 3.08Å
347S80.3Confident87.2Confident58 Ų5844.6 Ų44.641%0.40625%0.247SC..SBendtrans-101.9-17.217657.20000113.4S345S345-S347 PolarHBondContact OG-N 2.76Å; S345-S347 PolarHBondContact OG-OG 3.31Å; S345-S347 VanDerWaalsContact OG-OG 3.08Å
348C86.3Confident87.5Confident3 Ų340.2 Ų40.22%0.0223%0.227CC..EExtended strand (participates in β ladder)trans-162.7169.3178.453.20000109.5V338 M339 L360 L361V338-C348 VanDerWaalsContact CG1-SG 3.56Å; M339-C348 HydrophobicContact SD-CB 4.45Å; M339-C348 PolarHBondContact SD-SG 2.93Å; C348-L360 VanDerWaalsContact CA-O 3.32Å; C348-L360 WeakPolarHBondContact CA-O 3.41Å; C348-L360 VanDerWaalsContact CB-O 3.26Å; C348-L360 WeakPolarHBondContact CB-O 3.21Å; C348-L361 HydrophobicContact CB-CD2 4.1Å
349Y91Very high87.9Confident5 Ų539 Ų392%0.0222%0.219CC..EExtended strand (participates in β ladder)trans-136.2136.6176.8179.5-76.1000109.5L351 L359 L360 L575 N578 Y581 F582 L595Y349-L351 HydrophobicContact CE1-CB 4.1Å; Y349-L359 CarbonylContact O-C 3.54Å; Y349-L359 WeakPolarHBondContact O-CA 3.27Å; Y349-L360 HydrophobicContact CD1-CD1 4.26Å; Y349-L360 HydrophobicContact CG-CD1 4.36Å; Y349-L360 PolarHBondContact N-O 3.29Å; Y349-L360 PolarHBondContact O-N 3.08Å; Y349-L575 PolarHBondContact OH-O 3.41Å; Y349-N578 HydrophobicContact CD2-CB 4.05Å; Y349-N578 HydrophobicContact CE2-CB 3.85Å; Y349-Y581 HydrophobicContact CD2-CD1 4.11Å; Y349-Y581 HydrophobicContact CD2-CG 4.36Å; Y349-Y581 HydrophobicContact CG-CD1 4.21Å; Y349-F582 HydrophobicContact CD1-CZ 4.41Å; Y349-F582 AromaticContact CD2-CE2 3.98Å; Y349-F582 HydrophobicContact CD2-CE2 3.98Å; Y349-F582 AromaticContact CD2-CZ 3.95Å; Y349-F582 HydrophobicContact CD2-CZ 3.95Å; Y349-F582 HydrophobicContact CE1-CZ 4.18Å; Y349-F582 HydrophobicContact CE2-CD2 4.42Å; Y349-F582 AromaticContact CE2-CE2 3.44Å; Y349-F582 HydrophobicContact CE2-CE2 3.44Å; Y349-F582 VanDerWaalsContact CE2-CE2 3.44Å; Y349-F582 AromaticContact CE2-CZ 3.66Å; Y349-F582 HydrophobicContact CE2-CZ 3.66Å; Y349-F582 HydrophobicContact CG-CZ 4.33Å; Y349-F582 AromaticContact CZ-CE2 3.85Å; Y349-F582 AromaticContact CZ-CZ 3.8Å; Y349-L595 HydrophobicContact CD1-CD2 3.93Å; Y349-L595 HydrophobicContact CE1-CD2 3.53Å
350C92.2Very high88.1Confident8 Ų838.2 Ų38.25%0.05422%0.216CC..EExtended strand (participates in β ladder)trans-119.7118.5176.8-178.30000110.5M339 V341 M352 L359M339-C350 HydrophobicContact CE-CB 3.59Å; M339-C350 HydrophobicContact SD-CB 3.7Å; V341-C350 HydrophobicContact CG2-CB 4.22Å; C350-M352 VanDerWaalsContact SG-SD 3.69Å; C350-L359 HydrophobicContact CB-CD2 3.69Å; C350-L359 WeakPolarHBondContact SG-CD2 3.24Å
351L91.8Very high88.4Confident11 Ų1138 Ų386%0.05821%0.214CC..EExtended strand (participates in β ladder)trans-94.1122.6163.3-171.967.6000108.6Y349 C357 H358 L575 L595Y349-L351 HydrophobicContact CE1-CB 4.1Å; L351-C357 CarbonylContact O-C 3.57Å; L351-C357 WeakPolarHBondContact O-CA 3.2Å; L351-H358 HydrophobicContact CB-CB 4.22Å; L351-H358 PolarHBondContact N-O 3.48Å; L351-H358 PolarHBondContact O-N 3.33Å; L351-L575 HydrophobicContact CD1-CD2 3.81Å; L351-L575 HydrophobicContact CD2-CD2 3.59Å; L351-L575 HydrophobicContact CG-CD2 4.33Å; L351-L595 HydrophobicContact CB-CD1 4.28Å; L351-L595 HydrophobicContact CD2-CD1 4.47Å; L351-L595 HydrophobicContact CD2-CG 4.41Å
352M92.1Very high88.6Confident24 Ų2440.5 Ų40.512%0.11823%0.227CC..EExtended strand (participates in β ladder)trans-97.5121.3170.4-66.9-60.7-61.800109.4H313 V317 I324 V341 C350 C357 L369H313-M352 WeakPolarHBondContact NE2-CE 3.49Å; V317-M352 HydrophobicContact CG1-CB 4.03Å; V317-M352 HydrophobicContact CG1-CG 4.43Å; V317-M352 HydrophobicContact CG2-CB 4.22Å; V317-M352 HydrophobicContact CG2-CE 3.66Å; I324-M352 HydrophobicContact CD1-CE 4.05Å; I324-M352 HydrophobicContact CG2-SD 4.49Å; V341-M352 HydrophobicContact CG1-CG 3.62Å; V341-M352 HydrophobicContact CG2-CG 4.2Å; V341-M352 HydrophobicContact CG2-SD 4.36Å; C350-M352 VanDerWaalsContact SG-SD 3.69Å; M352-C357 HydrophobicContact CE-CB 4.29Å; M352-C357 HydrophobicContact SD-CB 3.45Å; M352-C357 WeakPolarHBondContact SD-CB 3.2Å; M352-L369 HydrophobicContact CE-CD2 4Å; M352-L369 HydrophobicContact SD-CD1 4.42Å; M352-L369 HydrophobicContact SD-CD2 4.22Å
353D91.4Very high89Confident35 Ų3541.1 Ų41.119%0.18723%0.23CC..  trans-98-170.8164-84.5-53.9000110H313 S356 H358 R599H313-D353 PolarHBondContact CE1-O 3.17Å; H313-D353 PolarHBondContact NE2-O 3.18Å; H313-D353 VanDerWaalsContact NE2-O 3.15Å; D353-S356 WeakPolarHBondContact CA-O 3.48Å; D353-S356 WeakPolarHBondContact CB-O 3.42Å; D353-S356 PolarHBondContact N-O 3.32Å; D353-H358 IonicContact OD2-CD2 3.4Å; D353-H358 PolarHBondContact OD2-CD2 3.31Å; D353-H358 IonicContact OD2-NE2 2.71Å; D353-H358 PolarHBondContact OD2-NE2 3.02Å; D353-R599 IonicContact OD1-CZ 3.12Å; D353-R599 VanDerWaalsContact OD1-CZ 3.3Å; D353-R599 IonicContact OD1-NE 2.79Å; D353-R599 PolarHBondContact OD1-NE 3.5Å; D353-R599 VanDerWaalsContact OD1-NE 3.16Å; D353-R599 IonicContact OD1-NH2 2.76Å; D353-R599 PolarHBondContact OD1-NH2 2.87Å; D353-R599 WeakPolarHBondContact OD2-CD 3.4Å; D353-R599 WeakPolarHBondContact OD2-CG 3.3Å; D353-R599 IonicContact OD2-CZ 3.31Å; D353-R599 IonicContact OD2-NE 3.94Å; D353-R599 PolarHBondContact OD2-NE 2.97Å; D353-R599 IonicContact OD2-NH2 3.5Å
354S90.1Very high89.4Confident93 Ų9335.9 Ų35.965%0.6521%0.207SC*.SBendtrans-71.6-27.6-177.556.90000114.3R381S354-R381 PolarHBondContact O-NE 2.67Å; S354-R381 PolarHBondContact O-NH2 3.47Å
355S90.8Very high90Very high58 Ų5830 Ų3041%0.40619%0.185SC..SBendtrans-138-3.9-175.362.20000115.3A312 H313A312-S355 WeakPolarHBondContact CA-O 3.31Å; H313-S355 PolarHBondContact N-O 3.25Å
356S93.6Very high90.6Very high24 Ų2430.1 Ų30.117%0.16819%0.186CC..EExtended strand (participates in β ladder)trans-144.6152.3176.953.10000111.5V311 H313 D353 H358V311-S356 CarbonylContact O-C 3.49Å; V311-S356 WeakPolarHBondContact O-CA 3.32Å; H313-S356 PolarHBondContact CD2-N 2.81Å; H313-S356 PolarHBondContact NE2-N 3.32Å; H313-S356 PolarHBondContact NE2-O 2.98Å; D353-S356 WeakPolarHBondContact CA-O 3.48Å; D353-S356 WeakPolarHBondContact CB-O 3.42Å; D353-S356 PolarHBondContact N-O 3.32Å; S356-H358 PolarHBondContact OG-NE2 3.43Å
357C94.3Very high91.3Very high0 Ų027.1 Ų27.10%017%0.166CC..EExtended strand (participates in β ladder)trans-111.6149.1166.769.30000110.4T310 V311 L351 M352T310-C357 WeakPolarHBondContact CA-O 3.46Å; V311-C357 PolarHBondContact N-O 3.42Å; V311-C357 PolarHBondContact O-N 3.27Å; L351-C357 CarbonylContact O-C 3.57Å; L351-C357 WeakPolarHBondContact O-CA 3.2Å; M352-C357 HydrophobicContact CE-CB 4.29Å; M352-C357 HydrophobicContact SD-CB 3.45Å; M352-C357 WeakPolarHBondContact SD-CB 3.2Å
358H94.6Very high91.8Very high2 Ų224.5 Ų24.51%0.00915%0.148CC..EExtended strand (participates in β ladder)trans-121.7112.8178.1-52.9-78.6000108.6M309 T310 L351 D353 S356 L595 A598M309-H358 WeakPolarHBondContact O-CA 3.32Å; T310-H358 WeakPolarHBondContact CG2-CE1 3.29Å; T310-H358 WeakPolarHBondContact CG2-ND1 3.43Å; T310-H358 PolarHBondContact OG1-CE1 3.36Å; T310-H358 PolarHBondContact OG1-ND1 3.25Å; L351-H358 HydrophobicContact CB-CB 4.22Å; L351-H358 PolarHBondContact N-O 3.48Å; L351-H358 PolarHBondContact O-N 3.33Å; D353-H358 IonicContact OD2-CD2 3.4Å; D353-H358 PolarHBondContact OD2-CD2 3.31Å; D353-H358 IonicContact OD2-NE2 2.71Å; D353-H358 PolarHBondContact OD2-NE2 3.02Å; S356-H358 PolarHBondContact OG-NE2 3.43Å; H358-L595 HydrophobicContact CB-CD1 3.6Å; H358-A598 PolarHBondContact CE1-O 2.68Å; H358-A598 PolarHBondContact ND1-O 2.73Å
359L94.8Very high92.1Very high3 Ų324.6 Ų24.62%0.01615%0.148CC..EExtended strand (participates in β ladder)trans-107.1124.4-170.7-55.1176.9000109.7A308 M309 L326 Y349 C350 L361A308-L359 CarbonylContact C-O 3.53Å; A308-L359 WeakPolarHBondContact CA-O 3.46Å; M309-L359 HydrophobicContact CB-CB 4.46Å; M309-L359 HydrophobicContact CE-CD1 3.88Å; M309-L359 PolarHBondContact N-O 2.87Å; M309-L359 PolarHBondContact O-N 2.83Å; L326-L359 HydrophobicContact CD1-CD1 3.64Å; L326-L359 HydrophobicContact CD1-CD2 4.36Å; L326-L359 HydrophobicContact CD2-CD1 4.29Å; L326-L359 HydrophobicContact CD2-CD2 4.26Å; Y349-L359 CarbonylContact O-C 3.54Å; Y349-L359 WeakPolarHBondContact O-CA 3.27Å; C350-L359 HydrophobicContact CB-CD2 3.69Å; C350-L359 WeakPolarHBondContact SG-CD2 3.24Å; L359-L361 HydrophobicContact CB-CD1 4.25Å; L359-L361 HydrophobicContact CB-CD2 4.15Å; L359-L361 HydrophobicContact CB-CG 4.02Å
360L94.6Very high92.1Very high0 Ų024.4 Ų24.40%015%0.148CC..EExtended strand (participates in β ladder)trans-92.8116.6168.1-63.3171.8000108.7P306 V307 A308 C348 Y349 Y581 F582 V591 L595P306-L360 HydrophobicContact CB-CB 4.15Å; V307-L360 WeakPolarHBondContact O-CA 3.21Å; A308-L360 HydrophobicContact CB-CD2 3.73Å; C348-L360 VanDerWaalsContact CA-O 3.32Å; C348-L360 WeakPolarHBondContact CA-O 3.41Å; C348-L360 VanDerWaalsContact CB-O 3.26Å; C348-L360 WeakPolarHBondContact CB-O 3.21Å; Y349-L360 HydrophobicContact CD1-CD1 4.26Å; Y349-L360 HydrophobicContact CG-CD1 4.36Å; Y349-L360 PolarHBondContact N-O 3.29Å; Y349-L360 PolarHBondContact O-N 3.08Å; L360-Y581 HydrophobicContact CB-CE1 4.11Å; L360-Y581 HydrophobicContact CD1-CE1 3.8Å; L360-F582 HydrophobicContact CD1-CE1 3.92Å; L360-F582 HydrophobicContact CD1-CZ 4.49Å; L360-V591 HydrophobicContact CD1-CG1 3.52Å; L360-V591 HydrophobicContact CD2-CG1 4.29Å; L360-V591 HydrophobicContact CG-CG1 4.5Å; L360-L595 HydrophobicContact CD1-CB 4.32Å; L360-L595 HydrophobicContact CD1-CD2 4.19Å; L360-L595 HydrophobicContact CD2-CB 4.43Å; L360-L595 HydrophobicContact CG-CD1 4.29Å
361L93Very high92.1Very high1 Ų124 Ų241%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-124.6127.2-170.2-58.5178.4000111Y296 P306 V307 M309 L326 C348 L359 Y367Y296-L361 HydrophobicContact CD1-CD1 4.48Å; Y296-L361 HydrophobicContact CE1-CB 4.18Å; Y296-L361 HydrophobicContact CE1-CD1 3.72Å; Y296-L361 VanDerWaalsContact OH-CB 3.3Å; Y296-L361 WeakPolarHBondContact OH-CB 3.36Å; Y296-L361 PolarHBondContact OH-O 3.2Å; P306-L361 WeakPolarHBondContact CA-O 3.36Å; V307-L361 HydrophobicContact CG2-CB 4.33Å; V307-L361 WeakPolarHBondContact CG2-O 3.31Å; V307-L361 PolarHBondContact N-O 3.02Å; V307-L361 PolarHBondContact O-N 2.81Å; M309-L361 HydrophobicContact CB-CD1 4.18Å; M309-L361 HydrophobicContact CE-CD1 3.77Å; M309-L361 HydrophobicContact SD-CD1 4.46Å; L326-L361 HydrophobicContact CD2-CD2 4.01Å; C348-L361 HydrophobicContact CB-CD2 4.1Å; L359-L361 HydrophobicContact CB-CD1 4.25Å; L359-L361 HydrophobicContact CB-CD2 4.15Å; L359-L361 HydrophobicContact CB-CG 4.02Å; L361-Y367 HydrophobicContact CD1-CD1 4.36Å; L361-Y367 HydrophobicContact CD1-CD2 4Å; L361-Y367 HydrophobicContact CD1-CE1 4.32Å; L361-Y367 HydrophobicContact CD1-CE2 3.99Å; L361-Y367 HydrophobicContact CD1-CG 4.2Å; L361-Y367 HydrophobicContact CD2-CD1 4.28Å; L361-Y367 HydrophobicContact CD2-CE1 3.84Å
362D89.2Confident92Very high64 Ų6426.6 Ų26.634%0.34216%0.157SC..SBendtrans-88.6-19-178-64.7-4.1000112.8P306 Y581P306-D362 WeakPolarHBondContact CB-OD1 3.47Å; D362-Y581 PolarHBondContact OD1-OH 2.85Å
363Q88.9Confident92Very high108 Ų10827 Ų2751%0.50516%0.161SC..SBendtrans-134.7137.5-171.7-67.4-175-8.100112.9Y296 Y367Y296-Q363 PolarHBondContact OH-O 3.48Å; Q363-Y367 PolarHBondContact O-OH 3.23Å
364P91.9Very high92Very high26 Ų2629.8 Ų29.817%0.16918%0.175CC..  trans-62.8150.6172.930.8-38.1000111.8Y296 P298 L301Y296-P364 HydrophobicContact CD2-CB 4.49Å; Y296-P364 HydrophobicContact CE2-CB 4.25Å; P298-P364 VanDerWaalsContact O-CB 3.29Å; P298-P364 WeakPolarHBondContact O-CB 3.45Å; P298-P364 VanDerWaalsContact O-CG 3.28Å; P298-P364 WeakPolarHBondContact O-CG 3.45Å; L301-P364 HydrophobicContact CB-CG 4.12Å
365G91.4Very high92Very high18 Ų1827.9 Ų27.919%0.18616%0.16CC..EExtended strand (participates in β ladder)trans164.6-176.6-179.200000113.5T295 Y296T295-G365 WeakPolarHBondContact CA-O 3.23Å; Y296-G365 PolarHBondContact N-O 2.99Å; Y296-G365 PolarHBondContact O-N 2.7Å
366S92.3Very high92Very high21 Ų2130.1 Ų30.115%0.14716%0.164CC..EExtended strand (participates in β ladder)trans-97.7126.9171.9-53.50000109.8T295 R328 K329T295-S366 WeakPolarHBondContact OG1-CB 3.38Å; T295-S366 PolarHBondContact OG1-OG 3.41Å; R328-S366 CarbonylContact C-O 3.49Å; R328-S366 VanDerWaalsContact CA-O 3.28Å; R328-S366 WeakPolarHBondContact CA-O 3.39Å; R328-S366 WeakPolarHBondContact CG-O 3.48Å; K329-S366 PolarHBondContact N-O 3.21Å
367Y92.6Very high91.9Very high8 Ų831.3 Ų31.33%0.03118%0.175CC..EExtended strand (participates in β ladder)trans-126.8145.7-175.1-69.9-92.3000110.7V294 Y296 L326 K327 R328 V338 L361 Q363V294-Y367 PolarHBondContact N-O 3.42Å; V294-Y367 PolarHBondContact O-N 2.87Å; Y296-Y367 HydrophobicContact CD1-CD2 4.37Å; Y296-Y367 HydrophobicContact CD1-CE2 4.33Å; Y296-Y367 HydrophobicContact CE1-CD2 4.19Å; Y296-Y367 AromaticContact CE1-CE2 3.77Å; Y296-Y367 HydrophobicContact CE1-CE2 3.77Å; L326-Y367 HydrophobicContact CD1-CD1 4.19Å; L326-Y367 HydrophobicContact CD2-CD1 4.05Å; L326-Y367 HydrophobicContact CD2-CE1 4.38Å; L326-Y367 HydrophobicContact CG-CD1 4.13Å; K327-Y367 WeakPolarHBondContact O-CA 3.28Å; R328-Y367 HydrophobicContact CB-CD1 4.05Å; R328-Y367 HydrophobicContact CB-CE1 3.91Å; R328-Y367 WeakPolarHBondContact CD-OH 3.49Å; R328-Y367 HydrophobicContact CG-CD1 4.37Å; R328-Y367 HydrophobicContact CG-CE1 4.03Å; R328-Y367 HydrophobicContact CG-CE2 4.48Å; V338-Y367 HydrophobicContact CG2-CE1 4.41Å; L361-Y367 HydrophobicContact CD1-CD1 4.36Å; L361-Y367 HydrophobicContact CD1-CD2 4Å; L361-Y367 HydrophobicContact CD1-CE1 4.32Å; L361-Y367 HydrophobicContact CD1-CE2 3.99Å; L361-Y367 HydrophobicContact CD1-CG 4.2Å; L361-Y367 HydrophobicContact CD2-CD1 4.28Å; L361-Y367 HydrophobicContact CD2-CE1 3.84Å; Q363-Y367 PolarHBondContact O-OH 3.23Å
368A91.8Very high91.8Very high2 Ų231.3 Ų31.32%0.01718%0.176CC..EExtended strand (participates in β ladder)trans-141138.5174.600000110.7L289 K327 W335L289-A368 HydrophobicContact CD2-CB 3.84Å; K327-A368 PolarHBondContact N-O 3.3Å; K327-A368 PolarHBondContact O-N 2.84Å; W335-A368 HydrophobicContact CH2-CB 3.62Å; W335-A368 HydrophobicContact CZ2-CB 4.38Å; W335-A368 HydrophobicContact CZ3-CB 3.78Å
369L92.2Very high91.8Very high5 Ų531.8 Ų31.83%0.02618%0.179CC..EExtended strand (participates in β ladder)trans-86.2120.1170.6-167.373.1000108.8L289 L290 H313 I324 M352L289-L369 WeakPolarHBondContact CA-O 3.36Å; L290-L369 HydrophobicContact CB-CD2 4.03Å; L290-L369 HydrophobicContact CB-CG 4.27Å; L290-L369 HydrophobicContact CD1-CD2 4.34Å; L290-L369 HydrophobicContact CD1-CG 4.43Å; L290-L369 PolarHBondContact N-O 2.79Å; H313-L369 HydrophobicContact CB-CD2 3.84Å; I324-L369 HydrophobicContact CG2-CD1 3.64Å; I324-L369 HydrophobicContact CG2-CD2 4.32Å; I324-L369 HydrophobicContact CG2-CG 3.97Å; M352-L369 HydrophobicContact CE-CD2 4Å; M352-L369 HydrophobicContact SD-CD1 4.42Å; M352-L369 HydrophobicContact SD-CD2 4.22Å
370V91.7Very high91.7Very high1 Ų131.7 Ų31.71%0.00618%0.178CC..EExtended strand (participates in β ladder)trans-113.7144.7-178.5-179.80000108.8L283 E287 I288 L289 I324 Q325 K327L283-V370 HydrophobicContact CD2-CG1 4.32Å; L283-V370 HydrophobicContact CD2-CG2 3.95Å; E287-V370 HydrophobicContact CB-CG1 3.68Å; E287-V370 HydrophobicContact CG-CG1 3.94Å; I288-V370 CarbonylContact O-C 3.53Å; I288-V370 WeakPolarHBondContact O-CA 3.5Å; L289-V370 HydrophobicContact CD2-CG2 4.21Å; I324-V370 WeakPolarHBondContact CA-O 3.24Å; Q325-V370 PolarHBondContact N-O 2.98Å; Q325-V370 PolarHBondContact O-N 2.86Å; K327-V370 HydrophobicContact CB-CG2 4.3Å; K327-V370 HydrophobicContact CD-CG2 4.08Å; K327-V370 HydrophobicContact CG-CB 4.41Å; K327-V370 HydrophobicContact CG-CG2 3.97Å
371G91Very high91.7Very high0 Ų033.1 Ų33.10%018%0.184CC..EExtended strand (participates in β ladder)trans-130.8130174.600000110.9I288 N323I288-G371 PolarHBondContact N-O 3.1Å; I288-G371 PolarHBondContact O-N 2.84Å; N323-G371 WeakPolarHBondContact O-CA 3.32Å
372E90.7Very high91.8Very high66 Ų6633.1 Ų33.131%0.30818%0.183SC..EExtended strand (participates in β ladder)trans-105.6124.4167.5179.5-178.9-148.100108.8E287 N323 L374E287-E372 HydrophobicContact CG-CB 4.47Å; N323-E372 HydrophobicContact CB-CB 4.25Å; N323-E372 PolarHBondContact N-O 2.99Å; N323-E372 PolarHBondContact ND2-OE2 2.63Å; N323-E372 PolarHBondContact O-N 3.26Å; E372-L374 PolarHBondContact O-N 3.29Å
373P91.4Very high92.1Very high32 Ų3232.4 Ų32.421%0.20818%0.177CC..EExtended strand (participates in β ladder)trans-76.8114.8177.529.7-31.8000110.6W322 A378 A436 W470W322-P373 HydrophobicContact CE3-CB 4.46Å; W322-P373 HydrophobicContact CZ3-CB 4.27Å; P373-A378 HydrophobicContact CB-CB 3.76Å; P373-A436 HydrophobicContact CB-CB 3.94Å; P373-W470 HydrophobicContact CB-CZ2 4.08Å; P373-W470 HydrophobicContact CG-CZ2 4.14Å
374L91Very high92.4Very high93 Ų9327.3 Ų27.349%0.48715%0.153SC..SBendtrans-74.1-28.5176.2-63.3175.8000112N321 N323 E372N321-L374 PolarHBondContact O-N 3.26Å; N323-L374 HydrophobicContact CB-CD1 4.26Å; N323-L374 HydrophobicContact CB-CD2 3.94Å; N323-L374 HydrophobicContact CB-CG 4.07Å; E372-L374 PolarHBondContact O-N 3.29Å
375T91.1Very high92.6Very high54 Ų5426.1 Ų26.133%0.33115%0.146SC..SBendtrans-138.8166179.590.80000112.4E320 N321 A377 A378E320-T375 WeakPolarHBondContact O-CG2 3.09Å; N321-T375 WeakPolarHBondContact OD1-CG2 3.49Å; N321-T375 PolarHBondContact OD1-OG1 3.12Å; T375-A377 PolarHBondContact O-N 2.79Å; T375-A377 WeakPolarHBondContact OG1-CB 3.38Å; T375-A377 PolarHBondContact OG1-N 2.82Å; T375-A378 WeakPolarHBondContact O-CB 3.46Å; T375-A378 PolarHBondContact O-N 3.31Å
376Q89.6Confident92.7Very high104 Ų10425.2 Ų25.249%0.48614%0.137SC..THydrogen-bonded Turntrans-69.4-7.9172.3-63.7-175.8-1.800114.1N437Q376-N437 HydrophobicContact CB-CB 4.36Å
377A91.3Very high92.7Very high49 Ų4924.2 Ų24.241%0.40513%0.13SC..THydrogen-bonded Turntrans-85.3-12.9174.900000112.9T375 V379T375-A377 PolarHBondContact O-N 2.79Å; T375-A377 WeakPolarHBondContact OG1-CB 3.38Å; T375-A377 PolarHBondContact OG1-N 2.82Å; A377-V379 PolarHBondContact O-N 2.98Å
378A93.4Very high92.7Very high1 Ų124 Ų241%0.00813%0.129CC..  trans-52.8128.1174.500000111.9N321 W322 P373 T375 R435 A436N321-A378 HydrophobicContact CB-CB 4.25Å; N321-A378 WeakPolarHBondContact O-CB 3.31Å; W322-A378 HydrophobicContact CD2-CB 4.06Å; W322-A378 HydrophobicContact CG-CB 4.36Å; W322-A378 HydrophobicContact CZ2-CB 4.15Å; P373-A378 HydrophobicContact CB-CB 3.76Å; T375-A378 WeakPolarHBondContact O-CB 3.46Å; T375-A378 PolarHBondContact O-N 3.31Å; A378-R435 CarbonylContact O-C 3.5Å; A378-R435 WeakPolarHBondContact O-CA 3.5Å; A378-A436 HydrophobicContact CB-CB 3.91Å; A378-A436 PolarHBondContact O-N 3.18Å
379V94.4Very high92.5Very high12 Ų1224.4 Ų24.47%0.07313%0.133CC..EExtended strand (participates in β ladder)trans-113.7134.5-177.2173.20000112E316 W322 A377 P433 F434 R435E316-V379 HydrophobicContact CB-CB 3.94Å; E316-V379 HydrophobicContact CB-CG1 4.07Å; E316-V379 PolarHBondContact N-O 2.96Å; E316-V379 WeakPolarHBondContact OE2-CB 3.48Å; E316-V379 WeakPolarHBondContact OE2-CG1 3.37Å; W322-V379 WeakPolarHBondContact CZ2-O 3.39Å; W322-V379 PolarHBondContact NE1-O 3.07Å; W322-V379 VanDerWaalsContact NE1-O 3.14Å; A377-V379 PolarHBondContact O-N 2.98Å; V379-P433 HydrophobicContact CG1-CB 3.52Å; V379-F434 WeakPolarHBondContact CA-O 3.27Å; V379-R435 HydrophobicContact CG2-CG 3.63Å
380K93Very high92.1Very high0 Ų027.1 Ų27.10%015%0.149CC..EExtended strand (participates in β ladder)trans-107.5130.6162.8-167.3172.277.8157.20109.6I288 C314 D405 F434 V469 W470I288-K380 HydrophobicContact CD1-CD 3.95Å; C314-K380 HydrophobicContact CB-CD 4.46Å; C314-K380 HydrophobicContact CB-CG 3.94Å; C314-K380 VanDerWaalsContact SG-CD 3.57Å; C314-K380 VanDerWaalsContact SG-CG 3.57Å; K380-D405 WeakPolarHBondContact CE-OD1 3.48Å; K380-D405 VanDerWaalsContact NZ-CG 3.34Å; K380-D405 IonicContact NZ-OD1 2.59Å; K380-D405 PolarHBondContact NZ-OD1 3.48Å; K380-D405 IonicContact NZ-OD2 2.72Å; K380-D405 PolarHBondContact NZ-OD2 3.01Å; K380-F434 PolarHBondContact N-O 2.92Å; K380-F434 WeakPolarHBondContact O-CB 3.39Å; K380-F434 PolarHBondContact O-N 2.72Å; K380-V469 WeakPolarHBondContact CE-O 3.48Å; K380-V469 PolarHBondContact NZ-O 3.22Å; K380-W470 HydrophobicContact CB-CE3 4.43Å; K380-W470 HydrophobicContact CB-CH2 4.21Å; K380-W470 HydrophobicContact CB-CZ3 3.82Å; K380-W470 PolarHBondContact NZ-O 2.97Å
381R94.9Very high91.5Very high31 Ų3130.7 Ų30.712%0.11717%0.166CC..EExtended strand (participates in β ladder)trans-78.3125.5172.7-69.4-178.6-75.696.49.3110.1H313 C314 A315 S354 D406 T431H313-R381 PolarHBondContact O-NH2 3.21Å; C314-R381 WeakPolarHBondContact O-CB 3.5Å; C314-R381 PolarHBondContact O-N 3.38Å; A315-R381 PolarHBondContact O-NH2 3.22Å; S354-R381 PolarHBondContact O-NE 2.67Å; S354-R381 PolarHBondContact O-NH2 3.47Å; R381-D406 HydrophobicContact CB-CB 3.64Å; R381-D406 IonicContact CZ-OD2 3.9Å; R381-D406 VanDerWaalsContact NH1-CG 3.34Å; R381-D406 PolarHBondContact NH1-O 2.96Å; R381-D406 IonicContact NH1-OD2 2.73Å; R381-D406 PolarHBondContact NH1-OD2 3.21Å; R381-D406 VanDerWaalsContact O-CB 3.31Å; R381-D406 WeakPolarHBondContact O-CB 3.48Å; R381-D406 PolarHBondContact O-N 2.89Å; R381-T431 HydrophobicContact CB-CG2 3.82Å; R381-T431 HydrophobicContact CG-CG2 4.01Å
382L95.1Very high90.1Very high0 Ų036.4 Ų36.40%021%0.213CC..EExtended strand (participates in β ladder)trans-106.4137.9171.2-58.2177.4000109.9V404 T431 L432 F434 L441 V469L382-V404 CarbonylContact C-O 3.57Å; L382-V404 VanDerWaalsContact CA-O 3.23Å; L382-V404 WeakPolarHBondContact CA-O 3.42Å; L382-T431 CarbonylContact O-C 3.49Å; L382-T431 VanDerWaalsContact O-CA 3.28Å; L382-T431 WeakPolarHBondContact O-CA 3.31Å; L382-L432 PolarHBondContact N-O 3.27Å; L382-L432 PolarHBondContact O-N 3.45Å; L382-F434 HydrophobicContact CD1-CB 3.66Å; L382-F434 HydrophobicContact CD1-CD2 4.06Å; L382-F434 HydrophobicContact CD1-CG 3.86Å; L382-F434 HydrophobicContact CG-CB 3.93Å; L382-L441 HydrophobicContact CD1-CD2 4.41Å; L382-V469 HydrophobicContact CD1-CG1 3.51Å; L382-V469 HydrophobicContact CD2-CG1 4.23Å; L382-V469 HydrophobicContact CG-CG1 4.5Å
383K94.6Very high88.8Confident50 Ų5035 Ų3522%0.21722%0.217CC..EExtended strand (participates in β ladder)trans-96119.3170.5-170.5166.7-170.7165.60109.9V404 D406 F411 P429K383-V404 HydrophobicContact CB-CG2 4.3Å; K383-V404 PolarHBondContact N-O 2.66Å; K383-V404 PolarHBondContact O-N 2.88Å; K383-V404 VanDerWaalsContact O-N 3.08Å; K383-D406 HydrophobicContact CB-CB 4.15Å; K383-F411 HydrophobicContact CD-CB 4.32Å; K383-F411 HydrophobicContact CD-CD2 3.99Å; K383-F411 HydrophobicContact CD-CG 4.14Å; K383-F411 HydrophobicContact CG-CD2 4.44Å; K383-P429 HydrophobicContact CD-CB 4.36Å; K383-P429 HydrophobicContact CG-CB 3.95Å
384L95.6Very high87.6Confident0 Ų035.7 Ų35.70%023%0.225CC..EExtended strand (participates in β ladder)trans-97.9129.7179.9-52-178.2000109.9Y402 C403 P429 K430 L432 V499 Q507 L509L384-Y402 VanDerWaalsContact CA-O 3.31Å; L384-Y402 WeakPolarHBondContact CA-O 3.49Å; L384-C403 HydrophobicContact CD2-CB 4.03Å; L384-P429 CarbonylContact O-C 3.54Å; L384-P429 WeakPolarHBondContact O-CA 3.47Å; L384-P429 WeakPolarHBondContact O-CB 3.33Å; L384-K430 WeakPolarHBondContact CB-O 3.44Å; L384-K430 WeakPolarHBondContact CG-O 3.39Å; L384-K430 PolarHBondContact N-O 3.04Å; L384-K430 PolarHBondContact O-N 3.46Å; L384-L432 HydrophobicContact CD1-CB 3.81Å; L384-L432 HydrophobicContact CD1-CD2 4.24Å; L384-L432 HydrophobicContact CD2-CB 4.37Å; L384-L432 HydrophobicContact CD2-CD2 4.44Å; L384-L432 HydrophobicContact CG-CB 4.04Å; L384-V499 HydrophobicContact CD1-CB 3.66Å; L384-V499 HydrophobicContact CD1-CG1 3.87Å; L384-V499 HydrophobicContact CD1-CG2 4.01Å; L384-V499 HydrophobicContact CD2-CB 4.43Å; L384-V499 HydrophobicContact CD2-CG1 3.82Å; L384-Q507 HydrophobicContact CD1-CB 3.79Å; L384-Q507 HydrophobicContact CD1-CG 4.02Å; L384-L509 HydrophobicContact CB-CD1 4.03Å; L384-L509 HydrophobicContact CD1-CD1 4.24Å
385A94.6Very high87.3Confident1 Ų134.5 Ų34.51%0.00822%0.218CC..EExtended strand (participates in β ladder)trans-142.2142.9176.500000111.6F387 Y402 F411 L425 P429A385-F387 HydrophobicContact CB-CD2 4.37Å; A385-F387 HydrophobicContact CB-CE2 3.76Å; A385-Y402 PolarHBondContact N-O 3.43Å; A385-Y402 PolarHBondContact O-N 3.37Å; A385-F411 HydrophobicContact CB-CE2 3.76Å; A385-L425 HydrophobicContact CB-CD1 4.17Å; A385-P429 HydrophobicContact CB-CB 4.21Å; A385-P429 HydrophobicContact CB-CG 4.17Å
386V94.4Very high87.1Confident0 Ų034.7 Ų34.70%022%0.218CC..EExtended strand (participates in β ladder)trans-117.2123.3-179.1-177.70000109.7L399 R400 V401 L426 I497 L509 V511V386-L399 HydrophobicContact CG1-CD2 4.25Å; V386-R400 WeakPolarHBondContact CA-O 3.37Å; V386-V401 HydrophobicContact CG2-CG1 4.29Å; V386-V401 HydrophobicContact CG2-CG2 4.34Å; V386-L426 HydrophobicContact CG1-CD1 4.27Å; V386-L426 PolarHBondContact O-N 3.2Å; V386-I497 HydrophobicContact CB-CD1 4.3Å; V386-I497 HydrophobicContact CG1-CD1 3.54Å; V386-I497 HydrophobicContact CG2-CD1 3.74Å; V386-I497 HydrophobicContact CG2-CG2 4.48Å; V386-L509 HydrophobicContact CG2-CB 4.13Å; V386-L509 HydrophobicContact CG2-CD1 4.04Å; V386-L509 HydrophobicContact CG2-CD2 4.13Å; V386-L509 HydrophobicContact CG2-CG 4.31Å; V386-V511 HydrophobicContact CB-CG2 4.41Å; V386-V511 HydrophobicContact CG1-CG2 3.87Å
387F92.9Very high87.1Confident0 Ų030.1 Ų30.10%020%0.196CC..EExtended strand (participates in β ladder)trans-114.4149.3175.8-66.8-109.7000110.1A385 L399 R400 Y402 V414 E418 Q424 L425 F525A385-F387 HydrophobicContact CB-CD2 4.37Å; A385-F387 HydrophobicContact CB-CE2 3.76Å; F387-L399 CarbonylContact O-C 3.57Å; F387-L399 WeakPolarHBondContact O-CA 3.35Å; F387-R400 PolarHBondContact N-O 3.02Å; F387-R400 PolarHBondContact O-N 2.9Å; F387-Y402 AromaticContact CD2-CD2 3.67Å; F387-Y402 HydrophobicContact CD2-CD2 3.67Å; F387-Y402 HydrophobicContact CD2-CE2 4.01Å; F387-Y402 HydrophobicContact CE2-CD2 4.07Å; F387-V414 HydrophobicContact CD2-CG1 4.33Å; F387-V414 HydrophobicContact CE2-CG1 3.55Å; F387-V414 HydrophobicContact CZ-CG1 3.82Å; F387-E418 HydrophobicContact CB-CG 4.12Å; F387-E418 WeakPolarHBondContact CB-OE2 3.15Å; F387-E418 HydrophobicContact CD1-CB 3.63Å; F387-E418 HydrophobicContact CD1-CG 3.57Å; F387-E418 HydrophobicContact CD2-CG 4.17Å; F387-E418 HydrophobicContact CE1-CB 3.72Å; F387-E418 HydrophobicContact CE1-CG 3.89Å; F387-E418 HydrophobicContact CE2-CG 4.48Å; F387-E418 HydrophobicContact CG-CB 4.3Å; F387-E418 HydrophobicContact CG-CG 3.71Å; F387-E418 HydrophobicContact CZ-CB 4.49Å; F387-E418 HydrophobicContact CZ-CG 4.35Å; F387-Q424 CarbonylContact C-O 3.58Å; F387-Q424 VanDerWaalsContact CA-O 3.25Å; F387-Q424 WeakPolarHBondContact CA-O 3.33Å; F387-L425 HydrophobicContact CD1-CB 4.36Å; F387-L425 HydrophobicContact CD2-CD1 4.3Å; F387-L425 HydrophobicContact CE1-CB 4.2Å; F387-L425 HydrophobicContact CE1-CD1 4.42Å; F387-L425 HydrophobicContact CE2-CD1 3.93Å; F387-L425 HydrophobicContact CZ-CD1 4Å; F387-F525 HydrophobicContact CD1-CE1 4.37Å; F387-F525 HydrophobicContact CE1-CD1 4.12Å; F387-F525 AromaticContact CE1-CE1 3.51Å; F387-F525 HydrophobicContact CE1-CE1 3.51Å; F387-F525 HydrophobicContact CE1-CZ 4.24Å; F387-F525 HydrophobicContact CZ-CD1 4.44Å; F387-F525 HydrophobicContact CZ-CE1 4.25Å
388G91.1Very high87.1Confident2 Ų227.9 Ų27.92%0.02118%0.177CC..EExtended strand (participates in β ladder)trans-128.6141.1173.700000111.5Y397 S398 Q424G388-Y397 WeakPolarHBondContact CA-OH 3.43Å; G388-S398 WeakPolarHBondContact CA-O 3.42Å; G388-Q424 PolarHBondContact N-O 3.25Å; G388-Q424 PolarHBondContact O-N 3.1Å
389S88.6Confident87.1Confident12 Ų1227.9 Ų27.98%0.08418%0.177CC..EExtended strand (participates in β ladder)trans-140.7148.7167.6680000111.3Y397 S398 R400S389-Y397 WeakPolarHBondContact O-CD2 2.97Å; S389-S398 PolarHBondContact N-O 3.35Å; S389-S398 PolarHBondContact O-N 3.43Å; S389-R400 PolarHBondContact OG-NH1 2.98Å; S389-R400 PolarHBondContact OG-NH2 3.22Å
390V84.5Confident87Confident62 Ų6227.8 Ų27.838%0.37618%0.176SC..EExtended strand (participates in β ladder)trans-75.8133.6166.6-173.30000107.6Y397 V515V390-Y397 HydrophobicContact CG2-CD2 3.98Å; V390-Y397 HydrophobicContact CG2-CE2 4.15Å; V390-V515 HydrophobicContact CG2-CG1 3.89Å
391E77.5Confident87.1Confident76 Ų7627.8 Ų27.836%0.35518%0.176SC..  trans-88.3175.5176.6-69.3-163.2157.900112.1G393 N396 Q482E391-G393 PolarHBondContact O-N 2.93Å; E391-N396 HydrophobicContact CB-CB 4.11Å; E391-N396 PolarHBondContact N-O 2.87Å; E391-N396 VanDerWaalsContact N-O 3.1Å; E391-Q482 PolarHBondContact OE1-NE2 3.49Å; E391-Q482 PolarHBondContact OE1-OE1 3.05Å
392A62.7Low87.1Confident119 Ų11926.4 Ų26.498%0.98317%0.17SC*.SBendtrans-69.371.9178.900000112.4
393G63Low87Confident38 Ų3826.5 Ų26.539%0.39217%0.171SC..SBendtrans155.3106-175.800000108.3E391 L395 N396E391-G393 PolarHBondContact O-N 2.93Å; G393-L395 PolarHBondContact O-N 2.9Å; G393-N396 PolarHBondContact O-N 2.76Å
394A67.2Low86.9Confident46 Ų4624.4 Ų24.438%0.3816%0.162SC..THydrogen-bonded Turntrans-54.6-18.8-161.900000116.3R485A394-R485 PolarHBondContact O-NE 2.87Å; A394-R485 PolarHBondContact O-NH2 3.02Å
395L83Confident86.8Confident67 Ų6724.9 Ų24.935%0.35117%0.165SC..THydrogen-bonded Turntrans-84.7-14.4178.4-61.4174.9000113.9G393 E484 R485 P488G393-L395 PolarHBondContact O-N 2.9Å; L395-E484 WeakPolarHBondContact O-CA 3.29Å; L395-R485 HydrophobicContact CB-CB 4.4Å; L395-R485 HydrophobicContact CD2-CB 4.02Å; L395-R485 WeakPolarHBondContact O-CG 3.22Å; L395-R485 PolarHBondContact O-N 3.37Å; L395-P488 HydrophobicContact CD2-CB 4.36Å
396N88Confident86.7Confident59 Ų5926.1 Ų26.132%0.31617%0.171SC..EExtended strand (participates in β ladder)trans-96.3134.8-175.8-67.85000111.9E391 G393 L483E391-N396 HydrophobicContact CB-CB 4.11Å; E391-N396 PolarHBondContact N-O 2.87Å; E391-N396 VanDerWaalsContact N-O 3.1Å; G393-N396 PolarHBondContact O-N 2.76Å; N396-L483 CarbonylContact C-O 3.36Å; N396-L483 WeakPolarHBondContact CA-O 3.11Å
397Y89.3Confident86.6Confident8 Ų826.5 Ų26.53%0.03117%0.173CC..EExtended strand (participates in β ladder)trans-133.2127.4178.9-166.6-104.5000110.2G388 S389 V390 L399 W453 L483 L493 T513 V515G388-Y397 WeakPolarHBondContact CA-OH 3.43Å; S389-Y397 WeakPolarHBondContact O-CD2 2.97Å; V390-Y397 HydrophobicContact CG2-CD2 3.98Å; V390-Y397 HydrophobicContact CG2-CE2 4.15Å; Y397-L399 HydrophobicContact CD1-CD2 4.39Å; Y397-L399 HydrophobicContact CD1-CG 4.29Å; Y397-L399 HydrophobicContact CE1-CD2 3.75Å; Y397-L399 HydrophobicContact CE1-CG 4.14Å; Y397-W453 HydrophobicContact CG-CH2 4.24Å; Y397-W453 HydrophobicContact CG-CZ3 4.43Å; Y397-L483 HydrophobicContact CD1-CD1 4.26Å; Y397-L483 PolarHBondContact N-O 3.07Å; Y397-L483 WeakPolarHBondContact O-CB 3.44Å; Y397-L483 PolarHBondContact O-N 2.94Å; Y397-L493 HydrophobicContact CD1-CD2 3.57Å; Y397-L493 HydrophobicContact CE1-CD2 3.51Å; Y397-T513 HydrophobicContact CE1-CG2 4.39Å; Y397-V515 HydrophobicContact CD2-CG1 3.51Å; Y397-V515 HydrophobicContact CD2-CG2 4.23Å; Y397-V515 HydrophobicContact CE2-CG1 3.78Å; Y397-V515 HydrophobicContact CE2-CG2 4.09Å; Y397-V515 HydrophobicContact CG-CG1 4.29Å
398S91.2Very high86.5Confident2 Ų228.7 Ų28.71%0.01419%0.188CC..EExtended strand (participates in β ladder)trans-106.4113.6-176.9-172.40000109.4G388 S389 R400 Q482G388-S398 WeakPolarHBondContact CA-O 3.42Å; S389-S398 PolarHBondContact N-O 3.35Å; S389-S398 PolarHBondContact O-N 3.43Å; S398-R400 VanDerWaalsContact CB-NH1 3.32Å; S398-R400 PolarHBondContact OG-NH1 3.2Å; S398-R400 VanDerWaalsContact OG-NH1 3.1Å; S398-Q482 PolarHBondContact OG-NE2 2.85Å; S398-Q482 VanDerWaalsContact OG-NE2 3.1Å; S398-Q482 PolarHBondContact OG-OE1 3.08Å
399L92.4Very high86.4Confident0 Ų030.7 Ų30.70%020%0.197CC..EExtended strand (participates in β ladder)trans-90.7121.2167.5-75.7177.8000109.3V386 F387 Y397 L426 I445 A480 F481 L483 L493 I497 V511V386-L399 HydrophobicContact CG1-CD2 4.25Å; F387-L399 CarbonylContact O-C 3.57Å; F387-L399 WeakPolarHBondContact O-CA 3.35Å; Y397-L399 HydrophobicContact CD1-CD2 4.39Å; Y397-L399 HydrophobicContact CD1-CG 4.29Å; Y397-L399 HydrophobicContact CE1-CD2 3.75Å; Y397-L399 HydrophobicContact CE1-CG 4.14Å; L399-L426 HydrophobicContact CD2-CD1 3.29Å; L399-I445 HydrophobicContact CD1-CD1 3.71Å; L399-A480 CarbonylContact O-C 3.57Å; L399-A480 VanDerWaalsContact O-CA 3.28Å; L399-A480 WeakPolarHBondContact O-CA 3.39Å; L399-F481 HydrophobicContact CB-CB 4.35Å; L399-F481 PolarHBondContact N-O 2.83Å; L399-F481 PolarHBondContact O-N 2.94Å; L399-L483 HydrophobicContact CD1-CD1 3.52Å; L399-L483 HydrophobicContact CG-CD1 3.8Å; L399-L493 HydrophobicContact CD1-CD2 4.18Å; L399-L493 HydrophobicContact CD2-CD2 4.32Å; L399-L493 HydrophobicContact CG-CD2 4.33Å; L399-I497 HydrophobicContact CD1-CD1 4.38Å; L399-V511 HydrophobicContact CD2-CG1 4.41Å
400R93.1Very high86.5Confident11 Ų1131.4 Ų31.44%0.04220%0.203CC..EExtended strand (participates in β ladder)trans-112123.2176.4-69.6179.7-66.7-761.1110.1V386 F387 S389 S398 Y402 E418 C479 A480V386-R400 WeakPolarHBondContact CA-O 3.37Å; F387-R400 PolarHBondContact N-O 3.02Å; F387-R400 PolarHBondContact O-N 2.9Å; S389-R400 PolarHBondContact OG-NH1 2.98Å; S389-R400 PolarHBondContact OG-NH2 3.22Å; S398-R400 VanDerWaalsContact CB-NH1 3.32Å; S398-R400 PolarHBondContact OG-NH1 3.2Å; S398-R400 VanDerWaalsContact OG-NH1 3.1Å; R400-Y402 HydrophobicContact CB-CD2 4.44Å; R400-Y402 HydrophobicContact CB-CE2 3.76Å; R400-E418 IonicContact CZ-OE1 3.86Å; R400-E418 IonicContact CZ-OE2 3.75Å; R400-E418 VanDerWaalsContact CZ-OE2 3.31Å; R400-E418 VanDerWaalsContact NE-CD 3.3Å; R400-E418 IonicContact NE-OE1 2.66Å; R400-E418 PolarHBondContact NE-OE1 2.9Å; R400-E418 IonicContact NE-OE2 3.3Å; R400-E418 PolarHBondContact NE-OE2 2.69Å; R400-E418 VanDerWaalsContact NE-OE2 3.12Å; R400-E418 IonicContact NH2-OE1 2.68Å; R400-E418 PolarHBondContact NH2-OE1 3.46Å; R400-E418 IonicContact NH2-OE2 2.86Å; R400-E418 PolarHBondContact NH2-OE2 3.31Å; R400-C479 WeakPolarHBondContact CA-O 3.36Å; R400-A480 HydrophobicContact CG-CB 4.06Å
401V95Very high86.7Confident0 Ų028.7 Ų28.70%019%0.186CC..EExtended strand (participates in β ladder)trans-107.9116.7-179.7-171.10000107.9V386 V443 H478 C479 F481 I497 V499V386-V401 HydrophobicContact CG2-CG1 4.29Å; V386-V401 HydrophobicContact CG2-CG2 4.34Å; V401-V443 HydrophobicContact CB-CG1 4.2Å; V401-V443 HydrophobicContact CG1-CG1 4.01Å; V401-V443 HydrophobicContact CG2-CG1 4.28Å; V401-H478 CarbonylContact O-C 3.52Å; V401-H478 WeakPolarHBondContact O-CA 3.44Å; V401-H478 VanDerWaalsContact O-CB 3.25Å; V401-H478 WeakPolarHBondContact O-CB 3.5Å; V401-C479 PolarHBondContact N-O 3.06Å; V401-C479 PolarHBondContact O-N 3.13Å; V401-F481 HydrophobicContact CG2-CD2 4.13Å; V401-F481 HydrophobicContact CG2-CE2 3.99Å; V401-I497 HydrophobicContact CG1-CG2 4.04Å; V401-I497 HydrophobicContact CG2-CD1 3.87Å; V401-I497 HydrophobicContact CG2-CG2 3.86Å; V401-V499 HydrophobicContact CG1-CG2 4.11Å
402Y94.6Very high87.2Confident2 Ų227 Ų271%0.00818%0.179CC..EExtended strand (participates in β ladder)trans-99.2133.9179.4-73.2-87.4000110.3L384 A385 F387 R400 V414 E418 P476 L477 H478L384-Y402 VanDerWaalsContact CA-O 3.31Å; L384-Y402 WeakPolarHBondContact CA-O 3.49Å; A385-Y402 PolarHBondContact N-O 3.43Å; A385-Y402 PolarHBondContact O-N 3.37Å; F387-Y402 AromaticContact CD2-CD2 3.67Å; F387-Y402 HydrophobicContact CD2-CD2 3.67Å; F387-Y402 HydrophobicContact CD2-CE2 4.01Å; F387-Y402 HydrophobicContact CE2-CD2 4.07Å; R400-Y402 HydrophobicContact CB-CD2 4.44Å; R400-Y402 HydrophobicContact CB-CE2 3.76Å; Y402-V414 HydrophobicContact CD1-CB 4.32Å; Y402-V414 HydrophobicContact CD1-CG1 3.64Å; Y402-V414 HydrophobicContact CD1-CG2 3.81Å; Y402-V414 HydrophobicContact CD2-CG1 3.67Å; Y402-V414 HydrophobicContact CE1-CG1 3.97Å; Y402-V414 HydrophobicContact CE1-CG2 4.47Å; Y402-V414 HydrophobicContact CE2-CG1 3.98Å; Y402-V414 HydrophobicContact CG-CG1 3.49Å; Y402-V414 VanDerWaalsContact CG-CG1 3.49Å; Y402-V414 HydrophobicContact CG-CG2 4.17Å; Y402-E418 HydrophobicContact CE2-CG 3.76Å; Y402-E418 PolarHBondContact OH-OE1 3.06Å; Y402-E418 VanDerWaalsContact OH-OE1 3.04Å; Y402-P476 HydrophobicContact CD1-CB 3.88Å; Y402-P476 HydrophobicContact CE1-CB 4.03Å; Y402-P476 HydrophobicContact CE1-CG 4.27Å; Y402-L477 WeakPolarHBondContact CA-O 3.46Å; Y402-H478 HydrophobicContact CD1-CB 3.5Å; Y402-H478 VanDerWaalsContact CD1-CB 3.5Å; Y402-H478 HydrophobicContact CD2-CB 4.43Å; Y402-H478 HydrophobicContact CE1-CB 3.51Å; Y402-H478 AromaticContact CE1-CG 3.59Å; Y402-H478 AromaticContact CE1-ND1 3.75Å; Y402-H478 HydrophobicContact CE2-CB 4.46Å; Y402-H478 HydrophobicContact CG-CB 3.98Å; Y402-H478 AromaticContact CZ-CG 3.97Å
403C94.1Very high88.3Confident1 Ų123 Ų231%0.00715%0.148CC..EExtended strand (participates in β ladder)trans-127.482.3177.6-58.80000107.9L384 L441 L477L384-C403 HydrophobicContact CD2-CB 4.03Å; C403-L441 HydrophobicContact CB-CD2 3.83Å; C403-L477 PolarHBondContact N-O 2.69Å
404V93Very high89.5Confident6 Ų621.1 Ų21.14%0.03613%0.129CC..EExtended strand (participates in β ladder)trans-108.9166.4-174.3-59.70000111.4L382 K383 A410 V414 P476L382-V404 CarbonylContact C-O 3.57Å; L382-V404 VanDerWaalsContact CA-O 3.23Å; L382-V404 WeakPolarHBondContact CA-O 3.42Å; K383-V404 HydrophobicContact CB-CG2 4.3Å; K383-V404 PolarHBondContact N-O 2.66Å; K383-V404 PolarHBondContact O-N 2.88Å; K383-V404 VanDerWaalsContact O-N 3.08Å; V404-A410 HydrophobicContact CB-CB 4.35Å; V404-A410 HydrophobicContact CG2-CB 4.43Å; V404-V414 HydrophobicContact CB-CG2 4.47Å; V404-V414 HydrophobicContact CG1-CG2 3.59Å; V404-V414 HydrophobicContact CG2-CG2 4.13Å; V404-P476 HydrophobicContact CG1-CB 3.66Å
405D92.5Very high90.4Very high10 Ų1019.7 Ų19.75%0.05312%0.116CC..EExtended strand (participates in β ladder)trans-60140.2171.9-77.711.9000111.1C314 K380 T407 A410C314-D405 HydrophobicContact CB-CB 3.9Å; C314-D405 PolarHBondContact SG-OD2 2.86Å; K380-D405 WeakPolarHBondContact CE-OD1 3.48Å; K380-D405 VanDerWaalsContact NZ-CG 3.34Å; K380-D405 IonicContact NZ-OD1 2.59Å; K380-D405 PolarHBondContact NZ-OD1 3.48Å; K380-D405 IonicContact NZ-OD2 2.72Å; K380-D405 PolarHBondContact NZ-OD2 3.01Å; D405-T407 PolarHBondContact O-N 3.46Å; D405-A410 HydrophobicContact CB-CB 4.37Å; D405-A410 WeakPolarHBondContact O-CB 3.33Å
406D93.1Very high90.5Very high28 Ų2819.4 Ų19.415%0.1512%0.123CC..SBendtrans-77.167.1-177.7-170.326.7000112.3R381 K383 T431R381-D406 HydrophobicContact CB-CB 3.64Å; R381-D406 IonicContact CZ-OD2 3.9Å; R381-D406 VanDerWaalsContact NH1-CG 3.34Å; R381-D406 PolarHBondContact NH1-O 2.96Å; R381-D406 IonicContact NH1-OD2 2.73Å; R381-D406 PolarHBondContact NH1-OD2 3.21Å; R381-D406 VanDerWaalsContact O-CB 3.31Å; R381-D406 WeakPolarHBondContact O-CB 3.48Å; R381-D406 PolarHBondContact O-N 2.89Å; K383-D406 HydrophobicContact CB-CB 4.15Å; D406-T431 HydrophobicContact CB-CG2 4.49Å; D406-T431 WeakPolarHBondContact OD2-CG2 3.23Å; D406-T431 PolarHBondContact OD2-OG1 2.65Å
407T91.9Very high90.4Very high7 Ų718 Ų184%0.04312%0.119CC..SBendtrans-131.6148.7172.566.30000109.9A312 C314 D405 H409 A410 F411A312-T407 HydrophobicContact CB-CG2 4.37Å; C314-T407 HydrophobicContact CB-CG2 4.28Å; D405-T407 PolarHBondContact O-N 3.46Å; T407-H409 VanDerWaalsContact C-N 3.31Å; T407-H409 PolarHBondContact O-N 3.11Å; T407-A410 PolarHBondContact O-N 2.95Å; T407-A410 VanDerWaalsContact OG1-CB 3.31Å; T407-A410 WeakPolarHBondContact OG1-CB 3.45Å; T407-A410 PolarHBondContact OG1-N 3.18Å; T407-F411 PolarHBondContact O-N 2.9Å
408P90.8Very high90.3Very high47 Ų4717.6 Ų17.631%0.30512%0.118SC..Hα-helixtrans-63.3-37.3177.8-19.231.6000112.2N249 A312 F411 Q412N249-P408 CarbonylContact O-C 3.37Å; N249-P408 VanDerWaalsContact O-CB 3.31Å; N249-P408 WeakPolarHBondContact O-CB 3.42Å; A312-P408 HydrophobicContact CB-CG 4.43Å; P408-F411 PolarHBondContact O-N 3.47Å; P408-Q412 WeakPolarHBondContact O-CB 3.45Å; P408-Q412 PolarHBondContact O-N 3.41Å
409H89.7Confident90Very high44 Ų4421.9 Ų21.920%0.20414%0.144CC..Hα-helixtrans-57-49.5175.5175.960.3000113.3T250 P292 T407 F411 Q412 G413T250-H409 HydrophobicContact CG2-CB 4.43Å; T250-H409 PolarHBondContact O-N 2.67Å; T250-H409 VanDerWaalsContact O-N 3.1Å; P292-H409 HydrophobicContact CG-CB 4.49Å; T407-H409 VanDerWaalsContact C-N 3.31Å; T407-H409 PolarHBondContact O-N 3.11Å; H409-F411 VanDerWaalsContact C-N 3.31Å; H409-F411 PolarHBondContact O-N 3.29Å; H409-Q412 PolarHBondContact O-N 3.02Å; H409-G413 PolarHBondContact O-N 3.21Å
410A89.3Confident89.5Confident27 Ų2726.5 Ų26.522%0.22318%0.177CC..Hα-helixtrans-63-39.6178.200000111.5V404 D405 T407 G413 V414V404-A410 HydrophobicContact CB-CB 4.35Å; V404-A410 HydrophobicContact CG2-CB 4.43Å; D405-A410 HydrophobicContact CB-CB 4.37Å; D405-A410 WeakPolarHBondContact O-CB 3.33Å; T407-A410 PolarHBondContact O-N 2.95Å; T407-A410 VanDerWaalsContact OG1-CB 3.31Å; T407-A410 WeakPolarHBondContact OG1-CB 3.45Å; T407-A410 PolarHBondContact OG1-N 3.18Å; A410-G413 PolarHBondContact O-N 2.85Å; A410-V414 PolarHBondContact O-N 3.02Å
411F89.9Confident88.9Confident4 Ų431.7 Ų31.72%0.01820%0.196CC..Hα-helixtrans-68.9-36.3177.2-168.6-111.4000113.2K383 A385 T407 P408 H409 G413 V414 V415 P429 F526K383-F411 HydrophobicContact CD-CB 4.32Å; K383-F411 HydrophobicContact CD-CD2 3.99Å; K383-F411 HydrophobicContact CD-CG 4.14Å; K383-F411 HydrophobicContact CG-CD2 4.44Å; A385-F411 HydrophobicContact CB-CE2 3.76Å; T407-F411 PolarHBondContact O-N 2.9Å; P408-F411 PolarHBondContact O-N 3.47Å; H409-F411 VanDerWaalsContact C-N 3.31Å; H409-F411 PolarHBondContact O-N 3.29Å; F411-G413 PolarHBondContact O-N 3.13Å; F411-V414 WeakPolarHBondContact O-CA 3.45Å; F411-V414 WeakPolarHBondContact O-CB 3.31Å; F411-V414 PolarHBondContact O-N 3.49Å; F411-V415 HydrophobicContact CD1-CG2 4.08Å; F411-V415 HydrophobicContact CE1-CG2 3.8Å; F411-V415 HydrophobicContact CZ-CG2 4.22Å; F411-V415 WeakPolarHBondContact O-CG2 3.49Å; F411-V415 PolarHBondContact O-N 3.4Å; F411-P429 HydrophobicContact CE2-CG 4.04Å; F411-P429 HydrophobicContact CZ-CG 3.77Å; F411-F526 HydrophobicContact CD1-CE1 4.35Å; F411-F526 HydrophobicContact CD1-CZ 4.48Å
412Q87.9Confident88.3Confident42 Ų4234.6 Ų34.620%0.19623%0.226CC..Hα-helixtrans-58.9-36.8173.4-172.7-177.921.300111.6P248 P408 H409 V414 V415 A416 F526P248-Q412 PolarHBondContact O-NE2 3.01Å; P408-Q412 WeakPolarHBondContact O-CB 3.45Å; P408-Q412 PolarHBondContact O-N 3.41Å; H409-Q412 PolarHBondContact O-N 3.02Å; Q412-V414 VanDerWaalsContact C-N 3.34Å; Q412-V414 PolarHBondContact O-N 2.96Å; Q412-V415 PolarHBondContact O-N 2.83Å; Q412-A416 WeakPolarHBondContact O-CB 3.45Å; Q412-A416 PolarHBondContact O-N 3.44Å; Q412-F526 HydrophobicContact CB-CZ 4.26Å
413G84.6Confident87.8Confident33 Ų3335 Ų3534%0.3423%0.231SC..Hα-helixtrans-62.3-36.5172.400000113.7H409 A410 F411 A417H409-G413 PolarHBondContact O-N 3.21Å; A410-G413 PolarHBondContact O-N 2.85Å; F411-G413 PolarHBondContact O-N 3.13Å; G413-A417 WeakPolarHBondContact O-CB 3.38Å; G413-A417 PolarHBondContact O-N 2.96Å
414V89Confident87.5Confident0 Ų037.6 Ų37.60%024%0.243CC..Hα-helixtrans-65.9-49.3172.3-178.80000110.5F387 Y402 V404 A410 F411 Q412 A416 A417 E418 P476F387-V414 HydrophobicContact CD2-CG1 4.33Å; F387-V414 HydrophobicContact CE2-CG1 3.55Å; F387-V414 HydrophobicContact CZ-CG1 3.82Å; Y402-V414 HydrophobicContact CD1-CB 4.32Å; Y402-V414 HydrophobicContact CD1-CG1 3.64Å; Y402-V414 HydrophobicContact CD1-CG2 3.81Å; Y402-V414 HydrophobicContact CD2-CG1 3.67Å; Y402-V414 HydrophobicContact CE1-CG1 3.97Å; Y402-V414 HydrophobicContact CE1-CG2 4.47Å; Y402-V414 HydrophobicContact CE2-CG1 3.98Å; Y402-V414 HydrophobicContact CG-CG1 3.49Å; Y402-V414 VanDerWaalsContact CG-CG1 3.49Å; Y402-V414 HydrophobicContact CG-CG2 4.17Å; V404-V414 HydrophobicContact CB-CG2 4.47Å; V404-V414 HydrophobicContact CG1-CG2 3.59Å; V404-V414 HydrophobicContact CG2-CG2 4.13Å; A410-V414 PolarHBondContact O-N 3.02Å; F411-V414 WeakPolarHBondContact O-CA 3.45Å; F411-V414 WeakPolarHBondContact O-CB 3.31Å; F411-V414 PolarHBondContact O-N 3.49Å; Q412-V414 VanDerWaalsContact C-N 3.34Å; Q412-V414 PolarHBondContact O-N 2.96Å; V414-A416 VanDerWaalsContact C-N 3.35Å; V414-A416 PolarHBondContact O-N 3.09Å; V414-A417 PolarHBondContact O-N 2.9Å; V414-E418 HydrophobicContact CG1-CG 4.42Å; V414-E418 PolarHBondContact O-N 2.94Å; V414-P476 HydrophobicContact CG2-CB 3.67Å
415V87.1Confident87.4Confident15 Ų1538.9 Ų38.99%0.09125%0.249CC..Hα-helixtrans-59.1-44.6-1791710000111.6F411 Q412 E418 T419 F525 F526F411-V415 HydrophobicContact CD1-CG2 4.08Å; F411-V415 HydrophobicContact CE1-CG2 3.8Å; F411-V415 HydrophobicContact CZ-CG2 4.22Å; F411-V415 WeakPolarHBondContact O-CG2 3.49Å; F411-V415 PolarHBondContact O-N 3.4Å; Q412-V415 PolarHBondContact O-N 2.83Å; V415-E418 PolarHBondContact O-N 2.94Å; V415-T419 WeakPolarHBondContact O-CB 3.32Å; V415-T419 PolarHBondContact O-N 3.37Å; V415-T419 PolarHBondContact O-OG1 3.31Å; V415-F525 HydrophobicContact CB-CD2 4.43Å; V415-F525 HydrophobicContact CB-CG 4.4Å; V415-F525 HydrophobicContact CG1-CB 4.06Å; V415-F525 HydrophobicContact CG1-CD2 3.36Å; V415-F525 HydrophobicContact CG1-CE2 3.87Å; V415-F525 HydrophobicContact CG1-CG 3.76Å; V415-F525 HydrophobicContact CG2-CB 3.64Å; V415-F525 HydrophobicContact CG2-CD1 4.1Å; V415-F525 HydrophobicContact CG2-CD2 4.26Å; V415-F525 HydrophobicContact CG2-CG 3.75Å; V415-F526 HydrophobicContact CG1-CE2 4.5Å; V415-F526 HydrophobicContact CG2-CE2 4.49Å
416A84.7Confident87.3Confident62 Ų6239.6 Ų39.651%0.51225%0.253SS..Hα-helixtrans-62.9-43.3176.100000112.1Q412 V414 S420Q412-A416 WeakPolarHBondContact O-CB 3.45Å; Q412-A416 PolarHBondContact O-N 3.44Å; V414-A416 VanDerWaalsContact C-N 3.35Å; V414-A416 PolarHBondContact O-N 3.09Å; A416-S420 PolarHBondContact O-N 3.37Å
417A85.3Confident87.1Confident28 Ų2839.8 Ų39.823%0.23125%0.253CS..Hα-helixtrans-63.4-43.3177.100000112.3G413 V414 S420 R421G413-A417 WeakPolarHBondContact O-CB 3.38Å; G413-A417 PolarHBondContact O-N 2.96Å; V414-A417 PolarHBondContact O-N 2.9Å; A417-S420 PolarHBondContact O-N 2.92Å; A417-S420 PolarHBondContact O-OG 3.29Å; A417-R421 WeakPolarHBondContact O-CD 3.28Å; A417-R421 WeakPolarHBondContact O-CG 3.39Å; A417-R421 PolarHBondContact O-N 3.38Å
418E88Confident87Confident0 Ų047.1 Ų47.10%029%0.287CS..Hα-helixtrans-75.5-32.9-179.2-75.5-64.7105.900113.2F387 R400 Y402 V414 V415 S420 R421 G422 G423F387-E418 HydrophobicContact CB-CG 4.12Å; F387-E418 WeakPolarHBondContact CB-OE2 3.15Å; F387-E418 HydrophobicContact CD1-CB 3.63Å; F387-E418 HydrophobicContact CD1-CG 3.57Å; F387-E418 HydrophobicContact CD2-CG 4.17Å; F387-E418 HydrophobicContact CE1-CB 3.72Å; F387-E418 HydrophobicContact CE1-CG 3.89Å; F387-E418 HydrophobicContact CE2-CG 4.48Å; F387-E418 HydrophobicContact CG-CB 4.3Å; F387-E418 HydrophobicContact CG-CG 3.71Å; F387-E418 HydrophobicContact CZ-CB 4.49Å; F387-E418 HydrophobicContact CZ-CG 4.35Å; R400-E418 IonicContact CZ-OE1 3.86Å; R400-E418 IonicContact CZ-OE2 3.75Å; R400-E418 VanDerWaalsContact CZ-OE2 3.31Å; R400-E418 VanDerWaalsContact NE-CD 3.3Å; R400-E418 IonicContact NE-OE1 2.66Å; R400-E418 PolarHBondContact NE-OE1 2.9Å; R400-E418 IonicContact NE-OE2 3.3Å; R400-E418 PolarHBondContact NE-OE2 2.69Å; R400-E418 VanDerWaalsContact NE-OE2 3.12Å; R400-E418 IonicContact NH2-OE1 2.68Å; R400-E418 PolarHBondContact NH2-OE1 3.46Å; R400-E418 IonicContact NH2-OE2 2.86Å; R400-E418 PolarHBondContact NH2-OE2 3.31Å; Y402-E418 HydrophobicContact CE2-CG 3.76Å; Y402-E418 PolarHBondContact OH-OE1 3.06Å; Y402-E418 VanDerWaalsContact OH-OE1 3.04Å; V414-E418 HydrophobicContact CG1-CG 4.42Å; V414-E418 PolarHBondContact O-N 2.94Å; V415-E418 PolarHBondContact O-N 2.94Å; E418-S420 VanDerWaalsContact C-N 3.26Å; E418-S420 PolarHBondContact O-N 3.5Å; E418-R421 CarbonylContact O-C 3.59Å; E418-R421 WeakPolarHBondContact O-CA 3.47Å; E418-R421 PolarHBondContact O-N 3.41Å; E418-R421 VanDerWaalsContact OE1-CD 3.29Å; E418-R421 WeakPolarHBondContact OE1-CD 3.11Å; E418-G422 PolarHBondContact O-N 3.29Å; E418-G423 PolarHBondContact O-N 2.95Å; E418-G423 WeakPolarHBondContact OE2-CA 3.15Å
419T83.8Confident87.1Confident92 Ų9247 Ų4756%0.56429%0.286SS*.Hα-helixtrans-58.1-41.4170.9-57.60000110.7V415 R421 G422V415-T419 WeakPolarHBondContact O-CB 3.32Å; V415-T419 PolarHBondContact O-N 3.37Å; V415-T419 PolarHBondContact O-OG1 3.31Å; T419-R421 PolarHBondContact O-N 3.42Å; T419-G422 PolarHBondContact O-N 3.02Å
420S82Confident87.4Confident98 Ų9847.5 Ų47.569%0.68529%0.288SS*.THydrogen-bonded Turntrans-67.3-14.7175.379.80000114.5A416 A417 E418A416-S420 PolarHBondContact O-N 3.37Å; A417-S420 PolarHBondContact O-N 2.92Å; A417-S420 PolarHBondContact O-OG 3.29Å; E418-S420 VanDerWaalsContact C-N 3.26Å; E418-S420 PolarHBondContact O-N 3.5Å
421R81.8Confident87.7Confident119 Ų11949.1 Ų49.145%0.44930%0.295SS..THydrogen-bonded Turntrans-110.7-0.1-175.7-67.9168.4179.4-1010.2113.6A417 E418 T419 G423A417-R421 WeakPolarHBondContact O-CD 3.28Å; A417-R421 WeakPolarHBondContact O-CG 3.39Å; A417-R421 PolarHBondContact O-N 3.38Å; E418-R421 CarbonylContact O-C 3.59Å; E418-R421 WeakPolarHBondContact O-CA 3.47Å; E418-R421 PolarHBondContact O-N 3.41Å; E418-R421 VanDerWaalsContact OE1-CD 3.29Å; E418-R421 WeakPolarHBondContact OE1-CD 3.11Å; T419-R421 PolarHBondContact O-N 3.42Å; R421-G423 VanDerWaalsContact C-N 3.29Å; R421-G423 PolarHBondContact O-N 3.41Å
422G81.6Confident88Confident61 Ų6149 Ų4963%0.62929%0.294SS*.THydrogen-bonded Turntrans64.831.3-172.200000113.4E418 T419E418-G422 PolarHBondContact O-N 3.29Å; T419-G422 PolarHBondContact O-N 3.02Å
423G84.9Confident88.3Confident10 Ų1048.8 Ų48.810%0.10330%0.296CS..PPolyproline II helixtrans-76.4127.8179.300000112.9E418 R421E418-G423 PolarHBondContact O-N 2.95Å; E418-G423 WeakPolarHBondContact OE2-CA 3.15Å; R421-G423 VanDerWaalsContact C-N 3.29Å; R421-G423 PolarHBondContact O-N 3.41Å
424Q87Confident88.8Confident57 Ų5747.2 Ų47.227%0.26628%0.28SS..EExtended strand (participates in β ladder)trans-99.5128.1170.4176.3163.353.200110.1F387 G388 L426F387-Q424 CarbonylContact C-O 3.58Å; F387-Q424 VanDerWaalsContact CA-O 3.25Å; F387-Q424 WeakPolarHBondContact CA-O 3.33Å; G388-Q424 PolarHBondContact N-O 3.25Å; G388-Q424 PolarHBondContact O-N 3.1Å; Q424-L426 HydrophobicContact CG-CD2 4.3Å; Q424-L426 WeakPolarHBondContact O-CD2 3.38Å; Q424-L426 PolarHBondContact O-N 2.94Å
425L90.3Very high89.1Confident33 Ų3351.9 Ų51.917%0.17330%0.298CS..EExtended strand (participates in β ladder)trans-62.9127.8168.9-177.671.8000109.5A385 F387 E427 P429 F525A385-L425 HydrophobicContact CB-CD1 4.17Å; F387-L425 HydrophobicContact CD1-CB 4.36Å; F387-L425 HydrophobicContact CD2-CD1 4.3Å; F387-L425 HydrophobicContact CE1-CB 4.2Å; F387-L425 HydrophobicContact CE1-CD1 4.42Å; F387-L425 HydrophobicContact CE2-CD1 3.93Å; F387-L425 HydrophobicContact CZ-CD1 4Å; L425-E427 WeakPolarHBondContact CD1-O 3.4Å; L425-E427 WeakPolarHBondContact CG-O 3.14Å; L425-P429 HydrophobicContact CD1-CG 4.43Å; L425-P429 HydrophobicContact CD2-CG 4.5Å; L425-F525 HydrophobicContact CB-CD1 4.18Å; L425-F525 HydrophobicContact CB-CE1 3.88Å; L425-F525 HydrophobicContact CD2-CD1 4.42Å
426L90Very high89.3Confident24 Ų2451.7 Ų51.713%0.12630%0.298CS..  trans-101.2-16.4-173.1-56.8-173.5000114.2V386 L399 Q424 V511 T513V386-L426 HydrophobicContact CG1-CD1 4.27Å; V386-L426 PolarHBondContact O-N 3.2Å; L399-L426 HydrophobicContact CD2-CD1 3.29Å; Q424-L426 HydrophobicContact CG-CD2 4.3Å; Q424-L426 WeakPolarHBondContact O-CD2 3.38Å; Q424-L426 PolarHBondContact O-N 2.94Å; L426-V511 HydrophobicContact CB-CG1 4.16Å; L426-V511 HydrophobicContact CD1-CG1 3.59Å; L426-T513 HydrophobicContact CD1-CG2 4.23Å; L426-T513 HydrophobicContact CD2-CG2 4.31Å
427E89.9Confident89.4Confident32 Ų3249.5 Ų49.515%0.1528%0.277CS..SBendtrans-156155.7-179.5-168.5178.5-178.300109.6L425 K430 L509 Q510L425-E427 WeakPolarHBondContact CD1-O 3.4Å; L425-E427 WeakPolarHBondContact CG-O 3.14Å; E427-K430 WeakPolarHBondContact OE1-CE 3.5Å; E427-K430 IonicContact OE1-NZ 3.17Å; E427-K430 PolarHBondContact OE1-NZ 3.32Å; E427-L509 WeakPolarHBondContact OE2-CA 3.13Å; E427-L509 WeakPolarHBondContact OE2-CB 3.08Å; E427-L509 WeakPolarHBondContact OE2-CD2 3.37Å; E427-Q510 PolarHBondContact OE1-N 2.99Å; E427-Q510 PolarHBondContact OE2-N 2.66Å
428E90.1Very high89.5Confident161 Ų16151.7 Ų51.775%0.75229%0.288SS*.  trans-58.9133.6173-66.5-177.1168.400111.4
429P93.4Very high89.8Confident44 Ų4455.2 Ų55.229%0.28630%0.303SS..  trans-62.9141.4179.2-23.834.8000112.5K383 L384 A385 F411 L425K383-P429 HydrophobicContact CD-CB 4.36Å; K383-P429 HydrophobicContact CG-CB 3.95Å; L384-P429 CarbonylContact O-C 3.54Å; L384-P429 WeakPolarHBondContact O-CA 3.47Å; L384-P429 WeakPolarHBondContact O-CB 3.33Å; A385-P429 HydrophobicContact CB-CB 4.21Å; A385-P429 HydrophobicContact CB-CG 4.17Å; F411-P429 HydrophobicContact CE2-CG 4.04Å; F411-P429 HydrophobicContact CZ-CG 3.77Å; L425-P429 HydrophobicContact CD1-CG 4.43Å; L425-P429 HydrophobicContact CD2-CG 4.5Å
430K95.1Very high90.3Very high56 Ų5652 Ų5224%0.24328%0.284CS..EExtended strand (participates in β ladder)trans-120.1142.9-177.6-56.9-173.6-170.1173.50111.4L384 E427 Q507 I508 L509L384-K430 WeakPolarHBondContact CB-O 3.44Å; L384-K430 WeakPolarHBondContact CG-O 3.39Å; L384-K430 PolarHBondContact N-O 3.04Å; L384-K430 PolarHBondContact O-N 3.46Å; E427-K430 WeakPolarHBondContact OE1-CE 3.5Å; E427-K430 IonicContact OE1-NZ 3.17Å; E427-K430 PolarHBondContact OE1-NZ 3.32Å; K430-Q507 HydrophobicContact CB-CG 3.75Å; K430-Q507 HydrophobicContact CD-CG 3.96Å; K430-Q507 HydrophobicContact CG-CG 4.48Å; K430-I508 PolarHBondContact NZ-O 3.41Å; K430-L509 HydrophobicContact CD-CD2 4.24Å; K430-L509 HydrophobicContact CD-CG 4.46Å; K430-L509 HydrophobicContact CG-CD2 4.21Å
431T95.3Very high90.9Very high61 Ų6147.3 Ų47.337%0.37425%0.252SS..EExtended strand (participates in β ladder)trans-87134.9177.4-55.70000110.9R381 L382 D406R381-T431 HydrophobicContact CB-CG2 3.82Å; R381-T431 HydrophobicContact CG-CG2 4.01Å; L382-T431 CarbonylContact O-C 3.49Å; L382-T431 VanDerWaalsContact O-CA 3.28Å; L382-T431 WeakPolarHBondContact O-CA 3.31Å; D406-T431 HydrophobicContact CB-CG2 4.49Å; D406-T431 WeakPolarHBondContact OD2-CG2 3.23Å; D406-T431 PolarHBondContact OD2-OG1 2.65Å
432L95.9Very high91.6Very high2 Ų243.6 Ų43.61%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-120.7119.2175.2177.472.7000109.8L382 L384 F434 L441 V499 H505 Q507L382-L432 PolarHBondContact N-O 3.27Å; L382-L432 PolarHBondContact O-N 3.45Å; L384-L432 HydrophobicContact CD1-CB 3.81Å; L384-L432 HydrophobicContact CD1-CD2 4.24Å; L384-L432 HydrophobicContact CD2-CB 4.37Å; L384-L432 HydrophobicContact CD2-CD2 4.44Å; L384-L432 HydrophobicContact CG-CB 4.04Å; L432-F434 PolarHBondContact O-N 3.49Å; L432-L441 HydrophobicContact CD2-CD1 3.71Å; L432-V499 HydrophobicContact CD2-CG1 3.92Å; L432-H505 HydrophobicContact CD1-CB 3.8Å; L432-Q507 HydrophobicContact CD1-CB 4.04Å
433P95.5Very high92.3Very high37 Ų3740.7 Ų40.724%0.2421%0.21CC..EExtended strand (participates in β ladder)trans-75.3113.617223.9-27.1000111.6V379 H505V379-P433 HydrophobicContact CG1-CB 3.52Å; P433-H505 HydrophobicContact CG-CB 4.27Å; P433-H505 PolarHBondContact O-ND1 2.96Å
434F94.9Very high92.8Very high0 Ų041 Ų410%021%0.211CC..EExtended strand (participates in β ladder)trans-105.8124.6-178.8-173-100000110.4V379 K380 L382 L432 L441 F466 V469 W470 Q501V379-F434 WeakPolarHBondContact CA-O 3.27Å; K380-F434 PolarHBondContact N-O 2.92Å; K380-F434 WeakPolarHBondContact O-CB 3.39Å; K380-F434 PolarHBondContact O-N 2.72Å; L382-F434 HydrophobicContact CD1-CB 3.66Å; L382-F434 HydrophobicContact CD1-CD2 4.06Å; L382-F434 HydrophobicContact CD1-CG 3.86Å; L382-F434 HydrophobicContact CG-CB 3.93Å; L432-F434 PolarHBondContact O-N 3.49Å; F434-L441 HydrophobicContact CD2-CD1 3.97Å; F434-L441 HydrophobicContact CE2-CB 3.97Å; F434-L441 HydrophobicContact CE2-CD1 4.04Å; F434-F466 AromaticContact CE1-CD2 3.6Å; F434-F466 HydrophobicContact CE1-CD2 3.6Å; F434-F466 AromaticContact CE1-CE2 3.81Å; F434-F466 HydrophobicContact CE1-CE2 3.81Å; F434-F466 AromaticContact CZ-CD2 3.78Å; F434-F466 HydrophobicContact CZ-CD2 3.78Å; F434-F466 HydrophobicContact CZ-CE2 4.42Å; F434-V469 HydrophobicContact CD1-CG1 3.86Å; F434-V469 HydrophobicContact CD2-CG1 4.13Å; F434-V469 HydrophobicContact CE1-CB 3.83Å; F434-V469 HydrophobicContact CE1-CG1 3.62Å; F434-V469 HydrophobicContact CE2-CB 4.33Å; F434-V469 HydrophobicContact CE2-CG1 3.9Å; F434-V469 HydrophobicContact CG-CG1 4.12Å; F434-V469 HydrophobicContact CZ-CB 3.71Å; F434-V469 HydrophobicContact CZ-CG1 3.64Å; F434-V469 HydrophobicContact CZ-CG2 4.25Å; F434-W470 AromaticContact CD1-CE3 3.72Å; F434-W470 HydrophobicContact CD1-CE3 3.72Å; F434-W470 HydrophobicContact CD1-CZ3 4.03Å; F434-W470 AromaticContact CE1-CE3 3.87Å; F434-W470 HydrophobicContact CE1-CE3 3.87Å; F434-Q501 HydrophobicContact CD2-CB 3.95Å; F434-Q501 VanDerWaalsContact CD2-CD 3.49Å; F434-Q501 HydrophobicContact CD2-CG 3.89Å; F434-Q501 HydrophobicContact CE2-CB 4.09Å; F434-Q501 HydrophobicContact CE2-CG 3.66Å
435R94.4Very high93.2Very high98 Ų9838.7 Ų38.737%0.3720%0.2SC..EExtended strand (participates in β ladder)trans-93.8152.4-173-76.4177.8178.6168.23.1113.5A378 V379 N437 F466 Q501A378-R435 CarbonylContact O-C 3.5Å; A378-R435 WeakPolarHBondContact O-CA 3.5Å; V379-R435 HydrophobicContact CG2-CG 3.63Å; R435-N437 HydrophobicContact CB-CB 4.28Å; R435-N437 PolarHBondContact O-N 2.74Å; R435-N437 PolarHBondContact O-OD1 3.29Å; R435-F466 WeakPolarHBondContact O-CE2 3.13Å; R435-Q501 PolarHBondContact O-NE2 2.91Å
436A90.7Very high93.4Very high10 Ų1040.9 Ų40.98%0.08321%0.209CC..SBendtrans-68.629171.400000114.7P373 A378 T438 W470P373-A436 HydrophobicContact CB-CB 3.94Å; A378-A436 HydrophobicContact CB-CB 3.91Å; A378-A436 PolarHBondContact O-N 3.18Å; A436-T438 VanDerWaalsContact C-N 3.34Å; A436-T438 PolarHBondContact O-N 3.25Å; A436-W470 HydrophobicContact CB-CH2 3.62Å; A436-W470 HydrophobicContact CB-CZ2 3.68Å; A436-W470 HydrophobicContact CB-CZ3 4.26Å
437N88.4Confident93.5Very high17 Ų1744.4 Ų44.49%0.09123%0.228CC..SBendtrans-93.416.3-171.265.414.6000113.8Q376 R435 F439 Q501Q376-N437 HydrophobicContact CB-CB 4.36Å; R435-N437 HydrophobicContact CB-CB 4.28Å; R435-N437 PolarHBondContact O-N 2.74Å; R435-N437 PolarHBondContact O-OD1 3.29Å; N437-F439 HydrophobicContact CB-CD2 4.16Å; N437-F439 PolarHBondContact O-N 2.75Å; N437-F439 WeakPolarHBondContact OD1-CB 3.26Å; N437-F439 WeakPolarHBondContact OD1-CD2 3.31Å; N437-F439 PolarHBondContact OD1-N 2.66Å; N437-Q501 PolarHBondContact OD1-NE2 3.47Å
438T87.6Confident93.5Very high74 Ų7443.8 Ų43.845%0.45423%0.227SC..  trans61.90.7-177.670.70000116.9F207 A436 F466F207-T438 HydrophobicContact CE1-CG2 4.2Å; A436-T438 VanDerWaalsContact C-N 3.34Å; A436-T438 PolarHBondContact O-N 3.25Å; T438-F466 VanDerWaalsContact O-CB 3.23Å; T438-F466 WeakPolarHBondContact O-CB 3.36Å
439F93.3Very high93.5Very high73 Ų7338 Ų3832%0.3220%0.203SC..PPolyproline II helixtrans-80.8138179.5-67.6-55000113.4N437 Q501 V502 K503N437-F439 HydrophobicContact CB-CD2 4.16Å; N437-F439 PolarHBondContact O-N 2.75Å; N437-F439 WeakPolarHBondContact OD1-CB 3.26Å; N437-F439 WeakPolarHBondContact OD1-CD2 3.31Å; N437-F439 PolarHBondContact OD1-N 2.66Å; F439-Q501 HydrophobicContact CB-CG 4.13Å; F439-Q501 PolarHBondContact O-NE2 3.42Å; F439-V502 HydrophobicContact CB-CB 4.11Å; F439-V502 WeakPolarHBondContact CB-O 3.45Å; F439-V502 HydrophobicContact CD1-CG1 4.39Å; F439-V502 VanDerWaalsContact CD2-O 3.29Å; F439-V502 WeakPolarHBondContact CD2-O 3.29Å; F439-V502 VanDerWaalsContact CG-O 3.22Å; F439-V502 WeakPolarHBondContact CG-O 3.36Å; F439-K503 HydrophobicContact CD2-CB 4.24Å; F439-K503 HydrophobicContact CE1-CD 4.35Å; F439-K503 HydrophobicContact CE2-CB 4.2Å; F439-K503 HydrophobicContact CE2-CD 4Å; F439-K503 HydrophobicContact CZ-CD 3.83Å
440S94.2Very high93.2Very high24 Ų2443.1 Ų43.117%0.16822%0.223CC..PPolyproline II helixtrans-58.5157.7176.5-550000114.2E463 F464 V502S440-E463 WeakPolarHBondContact CB-OE1 3.44Å; S440-E463 PolarHBondContact OG-OE1 3.27Å; S440-F464 VanDerWaalsContact CA-O 3.32Å; S440-F464 WeakPolarHBondContact CA-O 3.48Å; S440-F464 VanDerWaalsContact CB-O 3.24Å; S440-F464 WeakPolarHBondContact CB-O 3.39Å; S440-V502 PolarHBondContact O-N 3.27Å
441L95.8Very high92.8Very high0 Ų049.7 Ų49.70%025%0.252CS..EExtended strand (participates in β ladder)trans-94.6125.3167.8-17075.4000110L382 C403 L432 F434 E463 F464 V469 V499L382-L441 HydrophobicContact CD1-CD2 4.41Å; C403-L441 HydrophobicContact CB-CD2 3.83Å; L432-L441 HydrophobicContact CD2-CD1 3.71Å; F434-L441 HydrophobicContact CD2-CD1 3.97Å; F434-L441 HydrophobicContact CE2-CB 3.97Å; F434-L441 HydrophobicContact CE2-CD1 4.04Å; L441-E463 CarbonylContact O-C 3.54Å; L441-E463 WeakPolarHBondContact O-CA 3.41Å; L441-F464 HydrophobicContact CB-CB 4.43Å; L441-F464 HydrophobicContact CD2-CD2 4.33Å; L441-F464 PolarHBondContact N-O 3.36Å; L441-F464 PolarHBondContact O-N 2.99Å; L441-V469 HydrophobicContact CB-CG2 3.77Å; L441-V469 HydrophobicContact CD2-CG1 4.37Å; L441-V469 HydrophobicContact CD2-CG2 4.24Å; L441-V499 HydrophobicContact CD1-CG1 3.93Å; L441-V499 HydrophobicContact CD2-CG1 4.18Å; L441-V499 HydrophobicContact CG-CG1 4.14Å
442Q96.1Very high92.4Very high42 Ų4250.7 Ų50.720%0.19625%0.254CS..EExtended strand (participates in β ladder)trans-107.4124.8178.8-169.5178.522.900109.6C461 V499 R500Q442-C461 WeakPolarHBondContact CG-SG 3.36Å; Q442-C461 PolarHBondContact NE2-SG 3.44Å; Q442-V499 WeakPolarHBondContact O-CA 3.18Å; Q442-R500 HydrophobicContact CB-CG 4.11Å; Q442-R500 PolarHBondContact N-O 2.66Å; Q442-R500 PolarHBondContact O-N 3.38Å; Q442-R500 VanDerWaalsContact OE1-CZ 3.28Å
443V96.5Very high92.1Very high0 Ų050.7 Ų50.70%025%0.254CS..EExtended strand (participates in β ladder)trans-113.4124.4173.1-176.10000108.9V401 C461 Q462 F464 F481 I497 S498 V499V401-V443 HydrophobicContact CB-CG1 4.2Å; V401-V443 HydrophobicContact CG1-CG1 4.01Å; V401-V443 HydrophobicContact CG2-CG1 4.28Å; V443-C461 CarbonylContact O-C 3.45Å; V443-C461 WeakPolarHBondContact O-CA 3.4Å; V443-Q462 PolarHBondContact N-O 3.39Å; V443-Q462 PolarHBondContact O-N 2.82Å; V443-F464 HydrophobicContact CG2-CD2 4.34Å; V443-F464 HydrophobicContact CG2-CE2 3.91Å; V443-F481 HydrophobicContact CG1-CE2 3.83Å; V443-F481 HydrophobicContact CG1-CZ 4.02Å; V443-I497 HydrophobicContact CG1-CG2 4.16Å; V443-S498 CarbonylContact C-O 3.45Å; V443-S498 WeakPolarHBondContact CA-O 3.31Å; V443-V499 HydrophobicContact CG1-CG2 4.11Å; V443-V499 HydrophobicContact CG2-CG1 4.12Å; V443-V499 HydrophobicContact CG2-CG2 4.2Å
444S95.4Very high91.8Very high17 Ų1749.9 Ų49.912%0.11925%0.249CC..EExtended strand (participates in β ladder)trans-130.2146.3179.9680000112.6Q446 T460 I497 S498S444-Q446 PolarHBondContact OG-NE2 2.87Å; S444-Q446 VanDerWaalsContact OG-NE2 3.15Å; S444-T460 CarbonylContact C-O 3.21Å; S444-T460 WeakPolarHBondContact CA-O 3.34Å; S444-T460 WeakPolarHBondContact CB-O 3.23Å; S444-I497 CarbonylContact O-C 3.58Å; S444-I497 WeakPolarHBondContact O-CA 3.49Å; S444-S498 PolarHBondContact N-O 2.82Å; S444-S498 PolarHBondContact O-N 2.84Å; S444-S498 WeakPolarHBondContact OG-CB 3.46Å
445I94.9Very high91.4Very high8 Ų850.9 Ų50.94%0.04125%0.254CS..EExtended strand (participates in β ladder)trans-106.6131.1172.2-169.1176.5000109.6L399 V448 I455 T460 F481 C495 I497L399-I445 HydrophobicContact CD1-CD1 3.71Å; I445-V448 HydrophobicContact CD1-CG2 3.62Å; I445-V448 HydrophobicContact CG1-CG2 3.65Å; I445-I455 HydrophobicContact CG2-CD1 3.98Å; I445-T460 PolarHBondContact N-O 3.16Å; I445-F481 HydrophobicContact CB-CD1 4.18Å; I445-F481 HydrophobicContact CB-CD2 4.38Å; I445-F481 HydrophobicContact CB-CE1 4.26Å; I445-F481 HydrophobicContact CB-CE2 4.46Å; I445-F481 HydrophobicContact CB-CG 4.23Å; I445-F481 HydrophobicContact CB-CZ 4.41Å; I445-F481 HydrophobicContact CD1-CB 4.25Å; I445-F481 HydrophobicContact CD1-CG 4.43Å; I445-F481 HydrophobicContact CG2-CD1 3.56Å; I445-F481 HydrophobicContact CG2-CE1 3.78Å; I445-F481 HydrophobicContact CG2-CG 4.01Å; I445-F481 HydrophobicContact CG2-CZ 4.41Å; I445-C495 HydrophobicContact CD1-CB 4.39Å; I445-C495 HydrophobicContact CG1-CB 4.25Å; I445-I497 HydrophobicContact CG1-CG1 4.37Å
446Q93.6Very high90.8Very high78 Ų7851.1 Ų51.136%0.36426%0.258SS..EExtended strand (participates in β ladder)trans-133.6164-171.2-56179.617.900110S444 V448 C495 K496S444-Q446 PolarHBondContact OG-NE2 2.87Å; S444-Q446 VanDerWaalsContact OG-NE2 3.15Å; Q446-V448 PolarHBondContact O-N 3.37Å; Q446-V448 VanDerWaalsContact O-N 3.09Å; Q446-C495 WeakPolarHBondContact O-CB 3.43Å; Q446-K496 HydrophobicContact CB-CB 4.3Å; Q446-K496 PolarHBondContact N-O 2.79Å; Q446-K496 PolarHBondContact O-N 3.46Å
447D91.9Very high90.2Very high98 Ų9855.1 Ų55.152%0.52428%0.283SS..  trans55.323.8176.7-61.3-13.6000116.2K496D447-K496 VanDerWaalsContact OD2-CD 3.29Å; D447-K496 WeakPolarHBondContact OD2-CD 3.34Å; D447-K496 WeakPolarHBondContact OD2-CE 3.49Å; D447-K496 IonicContact OD2-NZ 2.66Å; D447-K496 PolarHBondContact OD2-NZ 2.8Å
448V90.6Very high89.7Confident20 Ų2062.3 Ų62.312%0.12131%0.314CS..  trans-67.2131.1176.2-179.40000110.4I445 Q446 Q450 W453 I455 L483 C495I445-V448 HydrophobicContact CD1-CG2 3.62Å; I445-V448 HydrophobicContact CG1-CG2 3.65Å; Q446-V448 PolarHBondContact O-N 3.37Å; Q446-V448 VanDerWaalsContact O-N 3.09Å; V448-Q450 PolarHBondContact O-N 3.15Å; V448-W453 HydrophobicContact CG1-CB 3.84Å; V448-I455 HydrophobicContact CB-CD1 4.42Å; V448-I455 HydrophobicContact CG1-CG1 4.44Å; V448-I455 HydrophobicContact CG2-CD1 4.08Å; V448-L483 HydrophobicContact CG1-CD2 3.85Å; V448-C495 HydrophobicContact CG2-CB 3.84Å
449P90.4Very high89.5Confident39 Ų3961.5 Ų61.525%0.25331%0.309SS..  trans-73.792.7-175.5-16.532.6000111.6F451 L452 W453 S494P449-F451 PolarHBondContact O-N 3.41Å; P449-L452 HydrophobicContact CB-CB 4.47Å; P449-L452 HydrophobicContact CB-CD1 4.44Å; P449-L452 PolarHBondContact O-N 3.4Å; P449-W453 PolarHBondContact O-N 3.41Å; P449-S494 WeakPolarHBondContact CD-O 3.4Å
450Q86.7Confident89.2Confident152 Ų15260.9 Ų60.971%0.7131%0.311SS*.THydrogen-bonded Turntrans-58.3-16.6-172.9-61.6-176.8-3.400115.3V448 Y486V448-Q450 PolarHBondContact O-N 3.15Å; Q450-Y486 WeakPolarHBondContact O-CE2 3.3Å
451F87.3Confident89.1Confident194 Ų19462 Ų6285%0.85132%0.318SS*.THydrogen-bonded Turntrans-83.9-16175.5-55.5-74.2000113.8P449P449-F451 PolarHBondContact O-N 3.41Å
452L87.3Confident89Confident81 Ų8164.6 Ų64.642%0.42433%0.331SS..THydrogen-bonded Turntrans-117.7-30.8-175.4-61.6177.8000112.2P449 Y486 A490P449-L452 HydrophobicContact CB-CB 4.47Å; P449-L452 HydrophobicContact CB-CD1 4.44Å; P449-L452 PolarHBondContact O-N 3.4Å; L452-Y486 PolarHBondContact O-N 3.26Å; L452-Y486 VanDerWaalsContact O-N 3.07Å; L452-A490 HydrophobicContact CB-CB 4.11Å; L452-A490 HydrophobicContact CD2-CB 4.35Å
453W89.3Confident88.9Confident3 Ų368.2 Ų68.21%0.01135%0.348CS..EExtended strand (participates in β ladder)trans-132143.1-171.2-67.497.4000111.7Y397 V448 P449 L483 R485 Q492 L493 V515Y397-W453 HydrophobicContact CG-CH2 4.24Å; Y397-W453 HydrophobicContact CG-CZ3 4.43Å; V448-W453 HydrophobicContact CG1-CB 3.84Å; P449-W453 PolarHBondContact O-N 3.41Å; W453-L483 HydrophobicContact CB-CD2 4.49Å; W453-L483 HydrophobicContact CE3-CB 3.76Å; W453-L483 HydrophobicContact CZ3-CB 3.91Å; W453-R485 HydrophobicContact CD2-CG 4.06Å; W453-R485 HydrophobicContact CE3-CB 4.5Å; W453-R485 HydrophobicContact CE3-CG 3.58Å; W453-R485 HydrophobicContact CH2-CG 3.28Å; W453-R485 HydrophobicContact CZ2-CG 3.73Å; W453-R485 HydrophobicContact CZ3-CB 4.43Å; W453-R485 HydrophobicContact CZ3-CG 3.19Å; W453-Q492 PolarHBondContact NE1-O 3.35Å; W453-L493 HydrophobicContact CD2-CD1 4.02Å; W453-L493 HydrophobicContact CG-CD1 4.12Å; W453-L493 HydrophobicContact CZ2-CB 3.83Å; W453-L493 HydrophobicContact CZ2-CD1 4.35Å; W453-V515 HydrophobicContact CH2-CB 4.47Å; W453-V515 HydrophobicContact CH2-CG1 4.35Å; W453-V515 HydrophobicContact CH2-CG2 3.92Å; W453-V515 HydrophobicContact CZ2-CG2 3.86Å
454S88.4Confident88.7Confident19 Ų1969.3 Ų69.313%0.13335%0.352CS..EExtended strand (participates in β ladder)trans-121.6152.1169.966.50000110.5L483 E484S454-L483 CarbonylContact O-C 3.41Å; S454-L483 VanDerWaalsContact O-CA 3.28Å; S454-L483 WeakPolarHBondContact O-CA 3.25Å; S454-E484 PolarHBondContact N-O 2.82Å; S454-E484 PolarHBondContact O-N 2.58Å; S454-E484 PolarHBondContact OG-O 3.08Å
455I87.4Confident88.6Confident21 Ų2170.9 Ų70.911%0.10836%0.363CS..EExtended strand (participates in β ladder)trans-107.8128.1178.4-49.5166.4000107.9I445 V448 P457 T460 Q482 L483I445-I455 HydrophobicContact CG2-CD1 3.98Å; V448-I455 HydrophobicContact CB-CD1 4.42Å; V448-I455 HydrophobicContact CG1-CG1 4.44Å; V448-I455 HydrophobicContact CG2-CD1 4.08Å; I455-P457 CarbonylContact C-O 3.59Å; I455-P457 WeakPolarHBondContact CG2-O 3.44Å; I455-P457 CarbonylContact O-C 3.57Å; I455-T460 HydrophobicContact CD1-CG2 3.93Å; I455-Q482 WeakPolarHBondContact CA-O 3.44Å; I455-L483 HydrophobicContact CG1-CD2 3.76Å
456K80.5Confident88.4Confident103 Ų10372 Ų7245%0.44837%0.368SS..SBendtrans-133.8117.2-176.6-67.6-170.6-172.4175.10112.1Q482 E484K456-Q482 PolarHBondContact N-O 3.42Å; K456-Q482 VanDerWaalsContact O-CB 3.31Å; K456-Q482 WeakPolarHBondContact O-CB 3.4Å; K456-E484 WeakPolarHBondContact CD-OE2 3.33Å; K456-E484 VanDerWaalsContact CE-OE2 3.25Å; K456-E484 WeakPolarHBondContact CE-OE2 3.4Å; K456-E484 IonicContact NZ-OE1 3.25Å; K456-E484 PolarHBondContact NZ-OE1 3.46Å; K456-E484 IonicContact NZ-OE2 2.66Å; K456-E484 PolarHBondContact NZ-OE2 3.2Å
457P78.8Confident88.1Confident94 Ų9472 Ų7261%0.6138%0.375SS*.SBendcis-64.2171.6-5.628.8-34.8000111.8I455 T459I455-P457 CarbonylContact C-O 3.59Å; I455-P457 WeakPolarHBondContact CG2-O 3.44Å; I455-P457 CarbonylContact O-C 3.57Å; P457-T459 HydrophobicContact CB-CG2 4.3Å; P457-T459 HydrophobicContact CG-CG2 3.93Å; P457-T459 PolarHBondContact O-N 2.81Å; P457-T459 PolarHBondContact O-OG1 2.91Å
458F77.7Confident87.9Confident169 Ų16972.3 Ų72.374%0.74137%0.373SS*.  trans-74.545.4-180-155.3-95.2000112.5T460F458-T460 PolarHBondContact O-N 3.1Å
459T84.2Confident87.9Confident56 Ų5671.3 Ų71.334%0.34437%0.367SS..  trans-9585.7178.151.30000108.9P457 C461 F481P457-T459 HydrophobicContact CB-CG2 4.3Å; P457-T459 HydrophobicContact CG-CG2 3.93Å; P457-T459 PolarHBondContact O-N 2.81Å; P457-T459 PolarHBondContact O-OG1 2.91Å; T459-C461 PolarHBondContact O-N 2.79Å; T459-F481 WeakPolarHBondContact O-CD1 3.41Å; T459-F481 WeakPolarHBondContact O-CE1 3.5Å
460T86.5Confident87.8Confident60 Ų6070 Ų7037%0.36836%0.357SS..SBendtrans-74-8.217454.50000113S444 I445 I455 F458S444-T460 CarbonylContact C-O 3.21Å; S444-T460 WeakPolarHBondContact CA-O 3.34Å; S444-T460 WeakPolarHBondContact CB-O 3.23Å; I445-T460 PolarHBondContact N-O 3.16Å; I455-T460 HydrophobicContact CD1-CG2 3.93Å; F458-T460 PolarHBondContact O-N 3.1Å
461C92.3Very high87.6Confident47 Ų4766.3 Ų66.332%0.31835%0.348SS..EExtended strand (participates in β ladder)trans-142.7140.5-177.9-177.20000110.3Q442 V443 T459Q442-C461 WeakPolarHBondContact CG-SG 3.36Å; Q442-C461 PolarHBondContact NE2-SG 3.44Å; V443-C461 CarbonylContact O-C 3.45Å; V443-C461 WeakPolarHBondContact O-CA 3.4Å; T459-C461 PolarHBondContact O-N 2.79Å
462Q93.6Very high86.6Confident56 Ų5658 Ų5826%0.26231%0.314SS..EExtended strand (participates in β ladder)trans-132.7148.2172.9-64.4-178.46200108.5V443 C479 A480 F481V443-Q462 PolarHBondContact N-O 3.39Å; V443-Q462 PolarHBondContact O-N 2.82Å; Q462-C479 HydrophobicContact CB-CB 4.23Å; Q462-C479 HydrophobicContact CG-CB 4.48Å; Q462-A480 PolarHBondContact NE2-O 3.23Å; Q462-F481 HydrophobicContact CG-CE1 4.27Å; Q462-F481 HydrophobicContact CG-CZ 4.46Å
463E93.7Very high85.3Confident118 Ų11856 Ų5655%0.55130%0.303SS*.EExtended strand (participates in β ladder)trans-130.3136.1-174.8-172.3-180154.700110S440 L441S440-E463 WeakPolarHBondContact CB-OE1 3.44Å; S440-E463 PolarHBondContact OG-OE1 3.27Å; L441-E463 CarbonylContact O-C 3.54Å; L441-E463 WeakPolarHBondContact O-CA 3.41Å
464F93.3Very high83.9Confident22 Ų2258 Ų5810%0.09631%0.313CS..EExtended strand (participates in β ladder)trans-112.6131.4173.9-57.4-73.5000109.2S440 L441 V443 V469 L477 C479S440-F464 VanDerWaalsContact CA-O 3.32Å; S440-F464 WeakPolarHBondContact CA-O 3.48Å; S440-F464 VanDerWaalsContact CB-O 3.24Å; S440-F464 WeakPolarHBondContact CB-O 3.39Å; L441-F464 HydrophobicContact CB-CB 4.43Å; L441-F464 HydrophobicContact CD2-CD2 4.33Å; L441-F464 PolarHBondContact N-O 3.36Å; L441-F464 PolarHBondContact O-N 2.99Å; V443-F464 HydrophobicContact CG2-CD2 4.34Å; V443-F464 HydrophobicContact CG2-CE2 3.91Å; F464-V469 HydrophobicContact CB-CG2 3.76Å; F464-L477 HydrophobicContact CB-CD2 4.17Å; F464-L477 HydrophobicContact CD1-CD1 3.63Å; F464-L477 HydrophobicContact CD1-CD2 4.17Å; F464-L477 HydrophobicContact CD1-CG 4.05Å; F464-L477 HydrophobicContact CD2-CD2 4.15Å; F464-L477 HydrophobicContact CD2-CG 4.48Å; F464-L477 HydrophobicContact CE1-CD1 3.73Å; F464-L477 HydrophobicContact CE1-CG 4.04Å; F464-L477 HydrophobicContact CE2-CG 4.47Å; F464-L477 HydrophobicContact CG-CD1 4.24Å; F464-L477 HydrophobicContact CG-CD2 3.91Å; F464-L477 HydrophobicContact CG-CG 4.25Å; F464-L477 HydrophobicContact CZ-CD1 4.41Å; F464-L477 HydrophobicContact CZ-CG 4.24Å; F464-C479 HydrophobicContact CE2-CB 4.3Å; F464-C479 HydrophobicContact CZ-CB 3.73Å
465S92.3Very high82.9Confident50 Ų5061.8 Ų61.835%0.3533%0.328SS..  trans-67.8151.5179.569.40000110.8Q468 V469S465-Q468 WeakPolarHBondContact O-CB 3.48Å; S465-Q468 PolarHBondContact O-N 2.73Å; S465-Q468 WeakPolarHBondContact OG-CG 3.24Å; S465-Q468 PolarHBondContact OG-OE1 3.14Å; S465-V469 PolarHBondContact O-N 3.41Å
466F90.9Very high82.5Confident31 Ų3162.1 Ų62.114%0.13633%0.332CS..Hα-helixtrans-48.6-47.7-179.1168.5-95.3000113.8F434 R435 T438 Q468 V469 W470F434-F466 AromaticContact CE1-CD2 3.6Å; F434-F466 HydrophobicContact CE1-CD2 3.6Å; F434-F466 AromaticContact CE1-CE2 3.81Å; F434-F466 HydrophobicContact CE1-CE2 3.81Å; F434-F466 AromaticContact CZ-CD2 3.78Å; F434-F466 HydrophobicContact CZ-CD2 3.78Å; F434-F466 HydrophobicContact CZ-CE2 4.42Å; R435-F466 WeakPolarHBondContact O-CE2 3.13Å; T438-F466 VanDerWaalsContact O-CB 3.23Å; T438-F466 WeakPolarHBondContact O-CB 3.36Å; F466-Q468 VanDerWaalsContact C-N 3.3Å; F466-Q468 PolarHBondContact O-N 3.1Å; F466-V469 PolarHBondContact O-N 3.02Å; F466-V469 VanDerWaalsContact O-N 3.1Å; F466-W470 HydrophobicContact CD1-CB 4.38Å; F466-W470 HydrophobicContact CD2-CB 4.44Å; F466-W470 HydrophobicContact CE1-CB 3.97Å; F466-W470 HydrophobicContact CE1-CD2 4.41Å; F466-W470 AromaticContact CE1-CG 3.9Å; F466-W470 HydrophobicContact CE1-CG 3.9Å; F466-W470 HydrophobicContact CE2-CB 4.02Å; F466-W470 AromaticContact CE2-CD2 3.76Å; F466-W470 HydrophobicContact CE2-CD2 3.76Å; F466-W470 AromaticContact CE2-CE3 3.62Å; F466-W470 HydrophobicContact CE2-CE3 3.62Å; F466-W470 AromaticContact CE2-CG 3.94Å; F466-W470 HydrophobicContact CE2-CG 3.94Å; F466-W470 HydrophobicContact CE2-CZ3 4.37Å; F466-W470 HydrophobicContact CZ-CB 3.77Å; F466-W470 AromaticContact CZ-CD1 3.89Å; F466-W470 AromaticContact CZ-CD2 3.48Å; F466-W470 HydrophobicContact CZ-CD2 3.48Å; F466-W470 VanDerWaalsContact CZ-CD2 3.48Å; F466-W470 AromaticContact CZ-CE3 3.86Å; F466-W470 HydrophobicContact CZ-CE3 3.86Å; F466-W470 AromaticContact CZ-CG 3.42Å; F466-W470 HydrophobicContact CZ-CG 3.42Å; F466-W470 VanDerWaalsContact CZ-CG 3.42Å; F466-W470 VanDerWaalsContact O-CB 3.31Å; F466-W470 WeakPolarHBondContact O-CB 3.22Å; F466-W470 PolarHBondContact O-N 3.08Å
467P88.1Confident82.8Confident79 Ų7958.5 Ų58.551%0.51332%0.317SS..Hα-helixtrans-62.6-30.7178.8-23.935.4000114.5V469 C471P467-V469 PolarHBondContact O-N 3.38Å; P467-C471 WeakPolarHBondContact O-CB 3.45Å; P467-C471 PolarHBondContact O-N 3.19Å; P467-C471 VanDerWaalsContact O-N 3.12Å
468Q87.4Confident83.5Confident104 Ų10457.2 Ų57.249%0.48630%0.303SS..Hα-helixtrans-67.4-26.8177.3-69.5173.8-36.400112.7S465 F466 S472S465-Q468 WeakPolarHBondContact O-CB 3.48Å; S465-Q468 PolarHBondContact O-N 2.73Å; S465-Q468 WeakPolarHBondContact OG-CG 3.24Å; S465-Q468 PolarHBondContact OG-OE1 3.14Å; F466-Q468 VanDerWaalsContact C-N 3.3Å; F466-Q468 PolarHBondContact O-N 3.1Å; Q468-S472 WeakPolarHBondContact O-CB 3.32Å; Q468-S472 PolarHBondContact O-OG 3.37Å
469V89.4Confident84.2Confident0 Ų049.3 Ų49.30%027%0.269CS..Hα-helixtrans-95.3-42.5-179.7-174.60000110.6K380 L382 F434 L441 F464 S465 F466 P467 S472 L477K380-V469 WeakPolarHBondContact CE-O 3.48Å; K380-V469 PolarHBondContact NZ-O 3.22Å; L382-V469 HydrophobicContact CD1-CG1 3.51Å; L382-V469 HydrophobicContact CD2-CG1 4.23Å; L382-V469 HydrophobicContact CG-CG1 4.5Å; F434-V469 HydrophobicContact CD1-CG1 3.86Å; F434-V469 HydrophobicContact CD2-CG1 4.13Å; F434-V469 HydrophobicContact CE1-CB 3.83Å; F434-V469 HydrophobicContact CE1-CG1 3.62Å; F434-V469 HydrophobicContact CE2-CB 4.33Å; F434-V469 HydrophobicContact CE2-CG1 3.9Å; F434-V469 HydrophobicContact CG-CG1 4.12Å; F434-V469 HydrophobicContact CZ-CB 3.71Å; F434-V469 HydrophobicContact CZ-CG1 3.64Å; F434-V469 HydrophobicContact CZ-CG2 4.25Å; L441-V469 HydrophobicContact CB-CG2 3.77Å; L441-V469 HydrophobicContact CD2-CG1 4.37Å; L441-V469 HydrophobicContact CD2-CG2 4.24Å; F464-V469 HydrophobicContact CB-CG2 3.76Å; S465-V469 PolarHBondContact O-N 3.41Å; F466-V469 PolarHBondContact O-N 3.02Å; F466-V469 VanDerWaalsContact O-N 3.1Å; P467-V469 PolarHBondContact O-N 3.38Å; V469-S472 WeakPolarHBondContact O-CB 3.29Å; V469-S472 PolarHBondContact O-N 3.14Å; V469-L477 HydrophobicContact CB-CD2 4.4Å; V469-L477 HydrophobicContact CG2-CD2 3.71Å
470W88.8Confident84.5Confident10 Ų1048.5 Ų48.54%0.03827%0.267CS..Hα-helixtrans-64.4-44.3-178.7-161.4-111.5000111.8I288 W322 P373 K380 F434 A436 F466I288-W470 HydrophobicContact CD1-CD2 4.36Å; I288-W470 HydrophobicContact CD1-CZ2 4.28Å; I288-W470 HydrophobicContact CG2-CG 4.48Å; W322-W470 AromaticContact CH2-CH2 3.64Å; W322-W470 HydrophobicContact CH2-CH2 3.64Å; W322-W470 AromaticContact CH2-CZ2 3.32Å; W322-W470 HydrophobicContact CH2-CZ2 3.32Å; W322-W470 AromaticContact CZ2-CH2 3.71Å; W322-W470 HydrophobicContact CZ2-CH2 3.71Å; W322-W470 AromaticContact CZ2-CZ2 3.89Å; W322-W470 HydrophobicContact CZ2-CZ2 3.89Å; W322-W470 HydrophobicContact CZ3-CZ2 4.1Å; P373-W470 HydrophobicContact CB-CZ2 4.08Å; P373-W470 HydrophobicContact CG-CZ2 4.14Å; K380-W470 HydrophobicContact CB-CE3 4.43Å; K380-W470 HydrophobicContact CB-CH2 4.21Å; K380-W470 HydrophobicContact CB-CZ3 3.82Å; K380-W470 PolarHBondContact NZ-O 2.97Å; F434-W470 AromaticContact CD1-CE3 3.72Å; F434-W470 HydrophobicContact CD1-CE3 3.72Å; F434-W470 HydrophobicContact CD1-CZ3 4.03Å; F434-W470 AromaticContact CE1-CE3 3.87Å; F434-W470 HydrophobicContact CE1-CE3 3.87Å; A436-W470 HydrophobicContact CB-CH2 3.62Å; A436-W470 HydrophobicContact CB-CZ2 3.68Å; A436-W470 HydrophobicContact CB-CZ3 4.26Å; F466-W470 HydrophobicContact CD1-CB 4.38Å; F466-W470 HydrophobicContact CD2-CB 4.44Å; F466-W470 HydrophobicContact CE1-CB 3.97Å; F466-W470 HydrophobicContact CE1-CD2 4.41Å; F466-W470 AromaticContact CE1-CG 3.9Å; F466-W470 HydrophobicContact CE1-CG 3.9Å; F466-W470 HydrophobicContact CE2-CB 4.02Å; F466-W470 AromaticContact CE2-CD2 3.76Å; F466-W470 HydrophobicContact CE2-CD2 3.76Å; F466-W470 AromaticContact CE2-CE3 3.62Å; F466-W470 HydrophobicContact CE2-CE3 3.62Å; F466-W470 AromaticContact CE2-CG 3.94Å; F466-W470 HydrophobicContact CE2-CG 3.94Å; F466-W470 HydrophobicContact CE2-CZ3 4.37Å; F466-W470 HydrophobicContact CZ-CB 3.77Å; F466-W470 AromaticContact CZ-CD1 3.89Å; F466-W470 AromaticContact CZ-CD2 3.48Å; F466-W470 HydrophobicContact CZ-CD2 3.48Å; F466-W470 VanDerWaalsContact CZ-CD2 3.48Å; F466-W470 AromaticContact CZ-CE3 3.86Å; F466-W470 HydrophobicContact CZ-CE3 3.86Å; F466-W470 AromaticContact CZ-CG 3.42Å; F466-W470 HydrophobicContact CZ-CG 3.42Å; F466-W470 VanDerWaalsContact CZ-CG 3.42Å; F466-W470 VanDerWaalsContact O-CB 3.31Å; F466-W470 WeakPolarHBondContact O-CB 3.22Å; F466-W470 PolarHBondContact O-N 3.08Å
471C81.9Confident84.9Confident76 Ų7645.7 Ų45.751%0.51425%0.25SS..THydrogen-bonded Turntrans-97.822.1-179.9-47.90000113.3P467 N473P467-C471 WeakPolarHBondContact O-CB 3.45Å; P467-C471 PolarHBondContact O-N 3.19Å; P467-C471 VanDerWaalsContact O-N 3.12Å; C471-N473 PolarHBondContact O-N 3.06Å; C471-N473 PolarHBondContact O-OD1 2.88Å
472S66.4Low84.8Confident20 Ų2046 Ų4614%0.1425%0.247CC..  trans-76.553.4-170.8-131.80000115.4Q468 V469Q468-S472 WeakPolarHBondContact O-CB 3.32Å; Q468-S472 PolarHBondContact O-OG 3.37Å; V469-S472 WeakPolarHBondContact O-CB 3.29Å; V469-S472 PolarHBondContact O-N 3.14Å
473N59.5Low84.7Confident38 Ų3843.5 Ų43.520%0.20324%0.235CC..  trans-97-2.9-157.7-59.75.3000114.4L289 C471L289-N473 WeakPolarHBondContact CB-ND2 3.38Å; L289-N473 HydrophobicContact CD1-CB 4.49Å; L289-N473 PolarHBondContact N-ND2 3.35Å; L289-N473 VanDerWaalsContact N-ND2 3.18Å; L289-N473 PolarHBondContact O-ND2 2.86Å; C471-N473 PolarHBondContact O-N 3.06Å; C471-N473 PolarHBondContact O-OD1 2.88Å
474Q59.8Low84.5Confident45 Ų4540.5 Ų40.521%0.2122%0.221CC..SBendtrans-142.4-21-166.3-63.2-61.1-35.700116.3R229R229-Q474 PolarHBondContact NH1-O 3.47Å; R229-Q474 PolarHBondContact NH2-O 2.7Å
475Q68.3Low84.4Confident99 Ų9940 Ų4046%0.46322%0.219SC..SBendtrans-129.1136.1173.3-65.7-154.311.300109.7L477Q475-L477 PolarHBondContact O-N 3.14Å
476P78.6Confident84.2Confident27 Ų2744.9 Ų44.918%0.17523%0.231CC..  trans-69.3104.9-175.528.3-34.6000109.9Y402 V404 V414 H478Y402-P476 HydrophobicContact CD1-CB 3.88Å; Y402-P476 HydrophobicContact CE1-CB 4.03Å; Y402-P476 HydrophobicContact CE1-CG 4.27Å; V404-P476 HydrophobicContact CG1-CB 3.66Å; V414-P476 HydrophobicContact CG2-CB 3.67Å; P476-H478 PolarHBondContact O-N 2.85Å; P476-H478 PolarHBondContact O-ND1 3.26Å
477L87.9Confident83.9Confident28 Ų2846 Ų4615%0.14724%0.242CC..  trans-61.1125.3177.1-174.472.2000109.2Y402 C403 F464 V469 Q475Y402-L477 WeakPolarHBondContact CA-O 3.46Å; C403-L477 PolarHBondContact N-O 2.69Å; F464-L477 HydrophobicContact CB-CD2 4.17Å; F464-L477 HydrophobicContact CD1-CD1 3.63Å; F464-L477 HydrophobicContact CD1-CD2 4.17Å; F464-L477 HydrophobicContact CD1-CG 4.05Å; F464-L477 HydrophobicContact CD2-CD2 4.15Å; F464-L477 HydrophobicContact CD2-CG 4.48Å; F464-L477 HydrophobicContact CE1-CD1 3.73Å; F464-L477 HydrophobicContact CE1-CG 4.04Å; F464-L477 HydrophobicContact CE2-CG 4.47Å; F464-L477 HydrophobicContact CG-CD1 4.24Å; F464-L477 HydrophobicContact CG-CD2 3.91Å; F464-L477 HydrophobicContact CG-CG 4.25Å; F464-L477 HydrophobicContact CZ-CD1 4.41Å; F464-L477 HydrophobicContact CZ-CG 4.24Å; V469-L477 HydrophobicContact CB-CD2 4.4Å; V469-L477 HydrophobicContact CG2-CD2 3.71Å; Q475-L477 PolarHBondContact O-N 3.14Å
478H92.1Very high83.6Confident66 Ų6646.3 Ų46.331%0.30624%0.244SC..EExtended strand (participates in β ladder)trans-151.9155.3-178.365.5-76.7000112.3V401 Y402 P476V401-H478 CarbonylContact O-C 3.52Å; V401-H478 WeakPolarHBondContact O-CA 3.44Å; V401-H478 VanDerWaalsContact O-CB 3.25Å; V401-H478 WeakPolarHBondContact O-CB 3.5Å; Y402-H478 HydrophobicContact CD1-CB 3.5Å; Y402-H478 VanDerWaalsContact CD1-CB 3.5Å; Y402-H478 HydrophobicContact CD2-CB 4.43Å; Y402-H478 HydrophobicContact CE1-CB 3.51Å; Y402-H478 AromaticContact CE1-CG 3.59Å; Y402-H478 AromaticContact CE1-ND1 3.75Å; Y402-H478 HydrophobicContact CE2-CB 4.46Å; Y402-H478 HydrophobicContact CG-CB 3.98Å; Y402-H478 AromaticContact CZ-CG 3.97Å; P476-H478 PolarHBondContact O-N 2.85Å; P476-H478 PolarHBondContact O-ND1 3.26Å
479C92.2Very high83.4Confident4 Ų445.1 Ų45.13%0.02725%0.252CS..EExtended strand (participates in β ladder)trans-119.7157.3164.654.80000110.1R400 V401 Q462 F464R400-C479 WeakPolarHBondContact CA-O 3.36Å; V401-C479 PolarHBondContact N-O 3.06Å; V401-C479 PolarHBondContact O-N 3.13Å; Q462-C479 HydrophobicContact CB-CB 4.23Å; Q462-C479 HydrophobicContact CG-CB 4.48Å; F464-C479 HydrophobicContact CE2-CB 4.3Å; F464-C479 HydrophobicContact CZ-CB 3.73Å
480A92.4Very high83.1Confident38 Ų3845.4 Ų45.431%0.31425%0.254SS..EExtended strand (participates in β ladder)trans-118.1133.4174.200000110.2L399 R400 Q462L399-A480 CarbonylContact O-C 3.57Å; L399-A480 VanDerWaalsContact O-CA 3.28Å; L399-A480 WeakPolarHBondContact O-CA 3.39Å; R400-A480 HydrophobicContact CG-CB 4.06Å; Q462-A480 PolarHBondContact NE2-O 3.23Å
481F92.9Very high82.9Confident1 Ų148.2 Ų48.20%0.00427%0.273CS..EExtended strand (participates in β ladder)trans-107114.1166.5-61.2-81.4000108L399 V401 V443 I445 T459 Q462L399-F481 HydrophobicContact CB-CB 4.35Å; L399-F481 PolarHBondContact N-O 2.83Å; L399-F481 PolarHBondContact O-N 2.94Å; V401-F481 HydrophobicContact CG2-CD2 4.13Å; V401-F481 HydrophobicContact CG2-CE2 3.99Å; V443-F481 HydrophobicContact CG1-CE2 3.83Å; V443-F481 HydrophobicContact CG1-CZ 4.02Å; I445-F481 HydrophobicContact CB-CD1 4.18Å; I445-F481 HydrophobicContact CB-CD2 4.38Å; I445-F481 HydrophobicContact CB-CE1 4.26Å; I445-F481 HydrophobicContact CB-CE2 4.46Å; I445-F481 HydrophobicContact CB-CG 4.23Å; I445-F481 HydrophobicContact CB-CZ 4.41Å; I445-F481 HydrophobicContact CD1-CB 4.25Å; I445-F481 HydrophobicContact CD1-CG 4.43Å; I445-F481 HydrophobicContact CG2-CD1 3.56Å; I445-F481 HydrophobicContact CG2-CE1 3.78Å; I445-F481 HydrophobicContact CG2-CG 4.01Å; I445-F481 HydrophobicContact CG2-CZ 4.41Å; T459-F481 WeakPolarHBondContact O-CD1 3.41Å; T459-F481 WeakPolarHBondContact O-CE1 3.5Å; Q462-F481 HydrophobicContact CG-CE1 4.27Å; Q462-F481 HydrophobicContact CG-CZ 4.46Å
482Q91.8Very high83.2Confident55 Ų5549.5 Ų49.526%0.25727%0.272SS..EExtended strand (participates in β ladder)trans-90.9123.6179.3-65.6-67.34.100109.7E391 S398 I455 K456E391-Q482 PolarHBondContact OE1-NE2 3.49Å; E391-Q482 PolarHBondContact OE1-OE1 3.05Å; S398-Q482 PolarHBondContact OG-NE2 2.85Å; S398-Q482 VanDerWaalsContact OG-NE2 3.1Å; S398-Q482 PolarHBondContact OG-OE1 3.08Å; I455-Q482 WeakPolarHBondContact CA-O 3.44Å; K456-Q482 PolarHBondContact N-O 3.42Å; K456-Q482 VanDerWaalsContact O-CB 3.31Å; K456-Q482 WeakPolarHBondContact O-CB 3.4Å
483L91.1Very high84.3Confident2 Ų248.6 Ų48.61%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-115.5138.2-175.9-71.2156.1000109.7N396 Y397 L399 V448 W453 S454 I455 L493N396-L483 CarbonylContact C-O 3.36Å; N396-L483 WeakPolarHBondContact CA-O 3.11Å; Y397-L483 HydrophobicContact CD1-CD1 4.26Å; Y397-L483 PolarHBondContact N-O 3.07Å; Y397-L483 WeakPolarHBondContact O-CB 3.44Å; Y397-L483 PolarHBondContact O-N 2.94Å; L399-L483 HydrophobicContact CD1-CD1 3.52Å; L399-L483 HydrophobicContact CG-CD1 3.8Å; V448-L483 HydrophobicContact CG1-CD2 3.85Å; W453-L483 HydrophobicContact CB-CD2 4.49Å; W453-L483 HydrophobicContact CE3-CB 3.76Å; W453-L483 HydrophobicContact CZ3-CB 3.91Å; S454-L483 CarbonylContact O-C 3.41Å; S454-L483 VanDerWaalsContact O-CA 3.28Å; S454-L483 WeakPolarHBondContact O-CA 3.25Å; I455-L483 HydrophobicContact CG1-CD2 3.76Å; L483-L493 HydrophobicContact CD1-CD1 4.09Å; L483-L493 HydrophobicContact CD1-CD2 3.72Å
484E90Very high85.9Confident56 Ų5649.6 Ų49.626%0.26228%0.275SS..EExtended strand (participates in β ladder)trans-124.3128.3176.7-177.7-178.6122.500110.3L395 S454 K456L395-E484 WeakPolarHBondContact O-CA 3.29Å; S454-E484 PolarHBondContact N-O 2.82Å; S454-E484 PolarHBondContact O-N 2.58Å; S454-E484 PolarHBondContact OG-O 3.08Å; K456-E484 WeakPolarHBondContact CD-OE2 3.33Å; K456-E484 VanDerWaalsContact CE-OE2 3.25Å; K456-E484 WeakPolarHBondContact CE-OE2 3.4Å; K456-E484 IonicContact NZ-OE1 3.25Å; K456-E484 PolarHBondContact NZ-OE1 3.46Å; K456-E484 IonicContact NZ-OE2 2.66Å; K456-E484 PolarHBondContact NZ-OE2 3.2Å
485R89.6Confident87.6Confident12 Ų1247.6 Ų47.65%0.04527%0.266CS..EExtended strand (participates in β ladder)trans-76.8133177.3-62.8-166.5-73.1170.80.2111.2A394 L395 W453 S487 P488 A490A394-R485 PolarHBondContact O-NE 2.87Å; A394-R485 PolarHBondContact O-NH2 3.02Å; L395-R485 HydrophobicContact CB-CB 4.4Å; L395-R485 HydrophobicContact CD2-CB 4.02Å; L395-R485 WeakPolarHBondContact O-CG 3.22Å; L395-R485 PolarHBondContact O-N 3.37Å; W453-R485 HydrophobicContact CD2-CG 4.06Å; W453-R485 HydrophobicContact CE3-CB 4.5Å; W453-R485 HydrophobicContact CE3-CG 3.58Å; W453-R485 HydrophobicContact CH2-CG 3.28Å; W453-R485 HydrophobicContact CZ2-CG 3.73Å; W453-R485 HydrophobicContact CZ3-CB 4.43Å; W453-R485 HydrophobicContact CZ3-CG 3.19Å; R485-S487 PolarHBondContact O-N 2.93Å; R485-P488 PolarHBondContact NH1-O 2.81Å; R485-A490 WeakPolarHBondContact CD-O 3.49Å; R485-A490 PolarHBondContact NH1-O 3.32Å
486Y88.3Confident88.9Confident152 Ų15246.5 Ų46.560%0.59626%0.259SS*.SBendtrans-69.3-20.9170.2-70-65.7000113.5Q450 L452Q450-Y486 WeakPolarHBondContact O-CE2 3.3Å; L452-Y486 PolarHBondContact O-N 3.26Å; L452-Y486 VanDerWaalsContact O-N 3.07Å
487S84.8Confident89.7Confident53 Ų5345.2 Ų45.237%0.37125%0.251SS..  trans-156.4144.7-179.9172.60000110.4R485 A489 A490R485-S487 PolarHBondContact O-N 2.93Å; S487-A489 PolarHBondContact O-N 3.1Å; S487-A489 VanDerWaalsContact O-N 3.13Å; S487-A489 WeakPolarHBondContact OG-CB 3.43Å; S487-A489 PolarHBondContact OG-N 2.79Å; S487-A490 WeakPolarHBondContact O-CB 3.38Å; S487-A490 PolarHBondContact O-N 2.92Å
488P82.2Confident90.1Very high86 Ų8644 Ų4456%0.55825%0.245SC*.THydrogen-bonded Turntrans-63.4-15.8173.628.3-35.5000113.1L395 R485 A490L395-P488 HydrophobicContact CD2-CB 4.36Å; R485-P488 PolarHBondContact NH1-O 2.81Å; P488-A490 PolarHBondContact O-N 2.95Å
489A83.1Confident90.4Very high80 Ų8040.8 Ų40.866%0.66123%0.23SC*.THydrogen-bonded Turntrans-66.9-17.2171.600000113.5S487 T491S487-A489 PolarHBondContact O-N 3.1Å; S487-A489 VanDerWaalsContact O-N 3.13Å; S487-A489 WeakPolarHBondContact OG-CB 3.43Å; S487-A489 PolarHBondContact OG-N 2.79Å; A489-T491 VanDerWaalsContact C-N 3.33Å; A489-T491 PolarHBondContact O-N 2.87Å
490A84.1Confident90.5Very high5 Ų545.3 Ų45.34%0.04125%0.247CC..  trans-75.285.8170.600000109.7L452 R485 S487 P488L452-A490 HydrophobicContact CB-CB 4.11Å; L452-A490 HydrophobicContact CD2-CB 4.35Å; R485-A490 WeakPolarHBondContact CD-O 3.49Å; R485-A490 PolarHBondContact NH1-O 3.32Å; S487-A490 WeakPolarHBondContact O-CB 3.38Å; S487-A490 PolarHBondContact O-N 2.92Å; P488-A490 PolarHBondContact O-N 2.95Å
491T84.8Confident90.7Very high70 Ų7043.6 Ų43.643%0.42923%0.232SC..  trans-91.7-6.4-17955.90000113.8A489 A514 V515A489-T491 VanDerWaalsContact C-N 3.33Å; A489-T491 PolarHBondContact O-N 2.87Å; T491-A514 CarbonylContact O-C 3.58Å; T491-A514 VanDerWaalsContact O-CA 3.28Å; T491-A514 WeakPolarHBondContact O-CA 3.34Å; T491-V515 PolarHBondContact O-N 3.5Å
492Q88.1Confident90.7Very high103 Ų10345.6 Ų45.648%0.48124%0.244SC..EExtended strand (participates in β ladder)trans-120.5139.5-179.7-63.8-171.9-0.200111.6W453 Y512 T513W453-Q492 PolarHBondContact NE1-O 3.35Å; Q492-Y512 VanDerWaalsContact CD-OH 3.24Å; Q492-Y512 PolarHBondContact NE2-OH 3.32Å; Q492-Y512 PolarHBondContact OE1-OH 2.87Å; Q492-T513 WeakPolarHBondContact CA-O 3.45Å
493L89.6Confident90.4Very high0 Ų051.4 Ų51.40%027%0.269CS..EExtended strand (participates in β ladder)trans-121.8129.5170.617664.6000108.4Y397 L399 W453 L483 T513 V515Y397-L493 HydrophobicContact CD1-CD2 3.57Å; Y397-L493 HydrophobicContact CE1-CD2 3.51Å; L399-L493 HydrophobicContact CD1-CD2 4.18Å; L399-L493 HydrophobicContact CD2-CD2 4.32Å; L399-L493 HydrophobicContact CG-CD2 4.33Å; W453-L493 HydrophobicContact CD2-CD1 4.02Å; W453-L493 HydrophobicContact CG-CD1 4.12Å; W453-L493 HydrophobicContact CZ2-CB 3.83Å; W453-L493 HydrophobicContact CZ2-CD1 4.35Å; L483-L493 HydrophobicContact CD1-CD1 4.09Å; L483-L493 HydrophobicContact CD1-CD2 3.72Å; L493-T513 HydrophobicContact CB-CG2 3.95Å; L493-T513 HydrophobicContact CD2-CG2 4.23Å; L493-T513 HydrophobicContact CG-CG2 4.47Å; L493-T513 PolarHBondContact N-O 3.35Å; L493-T513 PolarHBondContact O-N 3.39Å; L493-V515 HydrophobicContact CB-CG2 4.13Å
494S92.9Very high90.3Very high59 Ų5952.8 Ų52.841%0.41328%0.283SS..EExtended strand (participates in β ladder)trans-133120.7175.4177.50000107.4P449 V511P449-S494 WeakPolarHBondContact CD-O 3.4Å; S494-V511 WeakPolarHBondContact CA-O 3.35Å
495C94.2Very high90.4Very high3 Ų353.4 Ų53.42%0.0229%0.286CS..EExtended strand (participates in β ladder)trans-155.7160.7177.2590000111.2I445 Q446 V448 V511I445-C495 HydrophobicContact CD1-CB 4.39Å; I445-C495 HydrophobicContact CG1-CB 4.25Å; Q446-C495 WeakPolarHBondContact O-CB 3.43Å; V448-C495 HydrophobicContact CG2-CB 3.84Å; C495-V511 PolarHBondContact N-O 3.04Å; C495-V511 PolarHBondContact O-N 3.18Å
496K95.7Very high90.7Very high76 Ų7657.1 Ų57.133%0.3330%0.304SS..EExtended strand (participates in β ladder)trans-106139171.5-65.8178.3-169.6144.50109.8Q446 D447 I508 L509Q446-K496 HydrophobicContact CB-CB 4.3Å; Q446-K496 PolarHBondContact N-O 2.79Å; Q446-K496 PolarHBondContact O-N 3.46Å; D447-K496 VanDerWaalsContact OD2-CD 3.29Å; D447-K496 WeakPolarHBondContact OD2-CD 3.34Å; D447-K496 WeakPolarHBondContact OD2-CE 3.49Å; D447-K496 IonicContact OD2-NZ 2.66Å; D447-K496 PolarHBondContact OD2-NZ 2.8Å; K496-I508 HydrophobicContact CB-CG2 4.19Å; K496-I508 HydrophobicContact CD-CG2 4.38Å; K496-I508 HydrophobicContact CG-CG2 4.42Å; K496-L509 CarbonylContact C-O 3.54Å; K496-L509 WeakPolarHBondContact CA-O 3.34Å
497I96.4Very high91.1Very high0 Ų052.8 Ų52.80%029%0.289CS..EExtended strand (participates in β ladder)trans-113.9115172.7-66.9167000106.7V386 L399 V401 V443 S444 I445 V499 I508 L509 V511V386-I497 HydrophobicContact CB-CD1 4.3Å; V386-I497 HydrophobicContact CG1-CD1 3.54Å; V386-I497 HydrophobicContact CG2-CD1 3.74Å; V386-I497 HydrophobicContact CG2-CG2 4.48Å; L399-I497 HydrophobicContact CD1-CD1 4.38Å; V401-I497 HydrophobicContact CG1-CG2 4.04Å; V401-I497 HydrophobicContact CG2-CD1 3.87Å; V401-I497 HydrophobicContact CG2-CG2 3.86Å; V443-I497 HydrophobicContact CG1-CG2 4.16Å; S444-I497 CarbonylContact O-C 3.58Å; S444-I497 WeakPolarHBondContact O-CA 3.49Å; I445-I497 HydrophobicContact CG1-CG1 4.37Å; I497-V499 HydrophobicContact CG2-CG2 4.16Å; I497-I508 WeakPolarHBondContact O-CA 3.5Å; I497-L509 HydrophobicContact CB-CB 4.14Å; I497-L509 HydrophobicContact CG2-CD1 4.42Å; I497-L509 PolarHBondContact N-O 2.77Å; I497-L509 PolarHBondContact O-N 2.85Å; I497-V511 HydrophobicContact CD1-CG2 3.76Å; I497-V511 HydrophobicContact CG1-CG2 4.46Å
498S96.3Very high91.6Very high2 Ų253.4 Ų53.41%0.01429%0.288CS..EExtended strand (participates in β ladder)trans-99.1121.3175.5153.10000108.1V443 S444 E506V443-S498 CarbonylContact C-O 3.45Å; V443-S498 WeakPolarHBondContact CA-O 3.31Å; S444-S498 PolarHBondContact N-O 2.82Å; S444-S498 PolarHBondContact O-N 2.84Å; S444-S498 WeakPolarHBondContact OG-CB 3.46Å; S498-E506 WeakPolarHBondContact CB-OE1 3.33Å; S498-E506 PolarHBondContact OG-OE1 3.04Å
499V97.1Very high92.3Very high0 Ų049.3 Ų49.30%026%0.261CS..EExtended strand (participates in β ladder)trans-114.9120.7172.9-1770000107.5L384 V401 L432 L441 Q442 V443 I497 Q507 L509L384-V499 HydrophobicContact CD1-CB 3.66Å; L384-V499 HydrophobicContact CD1-CG1 3.87Å; L384-V499 HydrophobicContact CD1-CG2 4.01Å; L384-V499 HydrophobicContact CD2-CB 4.43Å; L384-V499 HydrophobicContact CD2-CG1 3.82Å; V401-V499 HydrophobicContact CG1-CG2 4.11Å; L432-V499 HydrophobicContact CD2-CG1 3.92Å; L441-V499 HydrophobicContact CD1-CG1 3.93Å; L441-V499 HydrophobicContact CD2-CG1 4.18Å; L441-V499 HydrophobicContact CG-CG1 4.14Å; Q442-V499 WeakPolarHBondContact O-CA 3.18Å; V443-V499 HydrophobicContact CG1-CG2 4.11Å; V443-V499 HydrophobicContact CG2-CG1 4.12Å; V443-V499 HydrophobicContact CG2-CG2 4.2Å; I497-V499 HydrophobicContact CG2-CG2 4.16Å; V499-Q507 PolarHBondContact N-O 2.93Å; V499-Q507 PolarHBondContact O-N 3.32Å; V499-L509 HydrophobicContact CG2-CD1 4.08Å
500R95.9Very high92.8Very high98 Ų9851.8 Ų51.837%0.3726%0.259SS..EExtended strand (participates in β ladder)trans-144146.1-177.368.9-175.4-163.31546.5112.8Q442 H505 E506Q442-R500 HydrophobicContact CB-CG 4.11Å; Q442-R500 PolarHBondContact N-O 2.66Å; Q442-R500 PolarHBondContact O-N 3.38Å; Q442-R500 VanDerWaalsContact OE1-CZ 3.28Å; R500-H505 CarbonylContact C-O 3.53Å; R500-H505 VanDerWaalsContact CA-O 3.24Å; R500-H505 WeakPolarHBondContact CA-O 3.45Å; R500-H505 WeakPolarHBondContact CB-O 3.42Å; R500-E506 HydrophobicContact CB-CB 3.58Å; R500-E506 HydrophobicContact CB-CG 3.83Å; R500-E506 WeakPolarHBondContact CD-OE2 3.45Å
501Q95.6Very high93.2Very high2 Ų251.7 Ų51.71%0.00926%0.258CS..EExtended strand (participates in β ladder)trans-78.8138163.7-172.6171.934.600108.7F434 R435 N437 F439 K503 G504 H505F434-Q501 HydrophobicContact CD2-CB 3.95Å; F434-Q501 VanDerWaalsContact CD2-CD 3.49Å; F434-Q501 HydrophobicContact CD2-CG 3.89Å; F434-Q501 HydrophobicContact CE2-CB 4.09Å; F434-Q501 HydrophobicContact CE2-CG 3.66Å; R435-Q501 PolarHBondContact O-NE2 2.91Å; N437-Q501 PolarHBondContact OD1-NE2 3.47Å; F439-Q501 HydrophobicContact CB-CG 4.13Å; F439-Q501 PolarHBondContact O-NE2 3.42Å; Q501-K503 PolarHBondContact O-N 3.35Å; Q501-G504 PolarHBondContact O-N 3.12Å; Q501-H505 PolarHBondContact N-O 3.26Å
502V92.5Very high93.5Very high43 Ų4355.2 Ų55.226%0.26126%0.264SS..THydrogen-bonded Turntrans-61.2123.7176.7174.60000109F439 S440 G504F439-V502 HydrophobicContact CB-CB 4.11Å; F439-V502 WeakPolarHBondContact CB-O 3.45Å; F439-V502 HydrophobicContact CD1-CG1 4.39Å; F439-V502 VanDerWaalsContact CD2-O 3.29Å; F439-V502 WeakPolarHBondContact CD2-O 3.29Å; F439-V502 VanDerWaalsContact CG-O 3.22Å; F439-V502 WeakPolarHBondContact CG-O 3.36Å; S440-V502 PolarHBondContact O-N 3.27Å; V502-G504 PolarHBondContact O-N 2.94Å
503K86.9Confident93.4Very high177 Ų17750.8 Ų50.877%0.7725%0.245SC*.THydrogen-bonded Turntrans56.920.8-170.4-57.2177.7177.6177.90115.2F439 Q501F439-K503 HydrophobicContact CD2-CB 4.24Å; F439-K503 HydrophobicContact CE1-CD 4.35Å; F439-K503 HydrophobicContact CE2-CB 4.2Å; F439-K503 HydrophobicContact CE2-CD 4Å; F439-K503 HydrophobicContact CZ-CD 3.83Å; Q501-K503 PolarHBondContact O-N 3.35Å
504G88.9Confident93.2Very high31 Ų3152.9 Ų52.932%0.3226%0.262SS..SBendtrans-120.7-152.717500000112.2Q501 V502Q501-G504 PolarHBondContact O-N 3.12Å; V502-G504 PolarHBondContact O-N 2.94Å
505H92.5Very high92.3Very high70 Ų7050.5 Ų50.532%0.32425%0.245SC..  trans-72.5153.5179-56.5102.9000112L432 P433 R500 Q501L432-H505 HydrophobicContact CD1-CB 3.8Å; P433-H505 HydrophobicContact CG-CB 4.27Å; P433-H505 PolarHBondContact O-ND1 2.96Å; R500-H505 CarbonylContact C-O 3.53Å; R500-H505 VanDerWaalsContact CA-O 3.24Å; R500-H505 WeakPolarHBondContact CA-O 3.45Å; R500-H505 WeakPolarHBondContact CB-O 3.42Å; Q501-H505 PolarHBondContact N-O 3.26Å
506E94.8Very high90.9Very high90 Ų9053.1 Ų53.142%0.42127%0.267SS..EExtended strand (participates in β ladder)trans-127.4135.2175.8173.4160.7-172.800109.4S498 R500 I508S498-E506 WeakPolarHBondContact CB-OE1 3.33Å; S498-E506 PolarHBondContact OG-OE1 3.04Å; R500-E506 HydrophobicContact CB-CB 3.58Å; R500-E506 HydrophobicContact CB-CG 3.83Å; R500-E506 WeakPolarHBondContact CD-OE2 3.45Å; E506-I508 HydrophobicContact CG-CG1 4.41Å
507Q96.7Very high89Confident61 Ų6157 Ų5729%0.28529%0.286SS..EExtended strand (participates in β ladder)trans-124.8130.7173.5-174.255.164.100109.7L384 K430 L432 V499L384-Q507 HydrophobicContact CD1-CB 3.79Å; L384-Q507 HydrophobicContact CD1-CG 4.02Å; K430-Q507 HydrophobicContact CB-CG 3.75Å; K430-Q507 HydrophobicContact CD-CG 3.96Å; K430-Q507 HydrophobicContact CG-CG 4.48Å; L432-Q507 HydrophobicContact CD1-CB 4.04Å; V499-Q507 PolarHBondContact N-O 2.93Å; V499-Q507 PolarHBondContact O-N 3.32Å
508I95.9Very high86.7Confident65 Ų6559.6 Ų59.633%0.33331%0.313SS..EExtended strand (participates in β ladder)trans-104.7133.6177.7-57.3176.7000109.7K430 K496 I497 E506K430-I508 PolarHBondContact NZ-O 3.41Å; K496-I508 HydrophobicContact CB-CG2 4.19Å; K496-I508 HydrophobicContact CD-CG2 4.38Å; K496-I508 HydrophobicContact CG-CG2 4.42Å; I497-I508 WeakPolarHBondContact O-CA 3.5Å; E506-I508 HydrophobicContact CG-CG1 4.41Å
509L95.5Very high84.3Confident0 Ų069.5 Ų69.50%036%0.359CS..EExtended strand (participates in β ladder)trans-110.3120.8174.7-73.1135.8000107.6L384 V386 E427 K430 K496 I497 V499L384-L509 HydrophobicContact CB-CD1 4.03Å; L384-L509 HydrophobicContact CD1-CD1 4.24Å; V386-L509 HydrophobicContact CG2-CB 4.13Å; V386-L509 HydrophobicContact CG2-CD1 4.04Å; V386-L509 HydrophobicContact CG2-CD2 4.13Å; V386-L509 HydrophobicContact CG2-CG 4.31Å; E427-L509 WeakPolarHBondContact OE2-CA 3.13Å; E427-L509 WeakPolarHBondContact OE2-CB 3.08Å; E427-L509 WeakPolarHBondContact OE2-CD2 3.37Å; K430-L509 HydrophobicContact CD-CD2 4.24Å; K430-L509 HydrophobicContact CD-CG 4.46Å; K430-L509 HydrophobicContact CG-CD2 4.21Å; K496-L509 CarbonylContact C-O 3.54Å; K496-L509 WeakPolarHBondContact CA-O 3.34Å; I497-L509 HydrophobicContact CB-CB 4.14Å; I497-L509 HydrophobicContact CG2-CD1 4.42Å; I497-L509 PolarHBondContact N-O 2.77Å; I497-L509 PolarHBondContact O-N 2.85Å; V499-L509 HydrophobicContact CG2-CD1 4.08Å
510Q94.2Very high82Confident133 Ų13374.6 Ų74.662%0.62138%0.381SS*.EExtended strand (participates in β ladder)trans-97.2101.9178-62.9-171.86.600110.4E427E427-Q510 PolarHBondContact OE1-N 2.99Å; E427-Q510 PolarHBondContact OE2-N 2.66Å
511V92.9Very high79.5Confident2 Ų278.2 Ų78.21%0.01240%0.402CS..EExtended strand (participates in β ladder)trans-88.8121178.7176.20000110V386 L399 L426 S494 C495 I497 T513V386-V511 HydrophobicContact CB-CG2 4.41Å; V386-V511 HydrophobicContact CG1-CG2 3.87Å; L399-V511 HydrophobicContact CD2-CG1 4.41Å; L426-V511 HydrophobicContact CB-CG1 4.16Å; L426-V511 HydrophobicContact CD1-CG1 3.59Å; S494-V511 WeakPolarHBondContact CA-O 3.35Å; C495-V511 PolarHBondContact N-O 3.04Å; C495-V511 PolarHBondContact O-N 3.18Å; I497-V511 HydrophobicContact CD1-CG2 3.76Å; I497-V511 HydrophobicContact CG1-CG2 4.46Å; V511-T513 HydrophobicContact CG1-CG2 4.31Å
512Y90.3Very high77.2Confident144 Ų14483.4 Ų83.457%0.56544%0.436SS*.EExtended strand (participates in β ladder)trans-131.4113.8166.9-178.5-99.8000109.3Q492Q492-Y512 VanDerWaalsContact CD-OH 3.24Å; Q492-Y512 PolarHBondContact NE2-OH 3.32Å; Q492-Y512 PolarHBondContact OE1-OH 2.87Å
513T87.1Confident75.1Confident11 Ų1184.9 Ų84.97%0.06745%0.445CS..EExtended strand (participates in β ladder)trans-142.5148.2-175.7-171.70000113.3Y397 L426 Q492 L493 V511 V515Y397-T513 HydrophobicContact CE1-CG2 4.39Å; L426-T513 HydrophobicContact CD1-CG2 4.23Å; L426-T513 HydrophobicContact CD2-CG2 4.31Å; Q492-T513 WeakPolarHBondContact CA-O 3.45Å; L493-T513 HydrophobicContact CB-CG2 3.95Å; L493-T513 HydrophobicContact CD2-CG2 4.23Å; L493-T513 HydrophobicContact CG-CG2 4.47Å; L493-T513 PolarHBondContact N-O 3.35Å; L493-T513 PolarHBondContact O-N 3.39Å; V511-T513 HydrophobicContact CG1-CG2 4.31Å; T513-V515 HydrophobicContact CG2-CG2 4.36Å
514A84.2Confident73.5Confident44 Ų4480.4 Ų80.436%0.36443%0.434SS..EExtended strand (participates in β ladder)trans-99.2113.8172.300000109.7T491 A516 K520T491-A514 CarbonylContact O-C 3.58Å; T491-A514 VanDerWaalsContact O-CA 3.28Å; T491-A514 WeakPolarHBondContact O-CA 3.34Å; A514-A516 PolarHBondContact O-N 2.89Å; A514-A516 VanDerWaalsContact O-N 3.09Å; A514-K520 PolarHBondContact O-NZ 2.73Å
515V75.5Confident71.9Confident8 Ų880.9 Ų80.95%0.04843%0.427CS..  trans-85.541.5-177.3-164.80000110.5V390 Y397 W453 T491 L493 T513V390-V515 HydrophobicContact CG2-CG1 3.89Å; Y397-V515 HydrophobicContact CD2-CG1 3.51Å; Y397-V515 HydrophobicContact CD2-CG2 4.23Å; Y397-V515 HydrophobicContact CE2-CG1 3.78Å; Y397-V515 HydrophobicContact CE2-CG2 4.09Å; Y397-V515 HydrophobicContact CG-CG1 4.29Å; W453-V515 HydrophobicContact CH2-CB 4.47Å; W453-V515 HydrophobicContact CH2-CG1 4.35Å; W453-V515 HydrophobicContact CH2-CG2 3.92Å; W453-V515 HydrophobicContact CZ2-CG2 3.86Å; T491-V515 PolarHBondContact O-N 3.5Å; L493-V515 HydrophobicContact CB-CG2 4.13Å; T513-V515 HydrophobicContact CG2-CG2 4.36Å
516A63.9Low70Confident59 Ų5980 Ų8049%0.48842%0.422SS..  trans-80.8134.9176.400000109.9A514 G518A514-A516 PolarHBondContact O-N 2.89Å; A514-A516 VanDerWaalsContact O-N 3.09Å; A516-G518 PolarHBondContact O-N 2.79Å
517E56.9Low67.6Low157 Ų15783.7 Ų83.773%0.73444%0.442SS*.SBendtrans-67.3100167.9-69.9173.3-178.800108.4
518G47.5Very low64.9Low55 Ų5587.3 Ų87.357%0.56746%0.459SS*.SBendtrans-170.8130.7179.800000110.4A516 K520A516-G518 PolarHBondContact O-N 2.79Å; G518-K520 PolarHBondContact O-N 2.95Å
519E44.6Very low62.3Low209 Ų20990.3 Ų90.398%0.97748%0.48SS*.  trans-53.8102.6177-61.7174.3148.800109.9
520K48.8Very low59.8Low108 Ų10894.9 Ų94.947%0.4751%0.505SS..  trans-94.4130.5164.5-72.2-179.4-173165.50107.3A514 G518A514-K520 PolarHBondContact O-NZ 2.73Å; G518-K520 PolarHBondContact O-N 2.95Å
521E43.9Very low57.8Low174 Ų17492 Ų9281%0.81350%0.498SS*.  trans-52.5142172-65.7-176.5138.100110V523E521-V523 PolarHBondContact O-N 3.17Å
522P48.7Very low56.3Low111 Ų11197.1 Ų97.172%0.72153%0.53SS*.  trans-60.9115.1175.626-33.2000108.5P524P522-P524 WeakPolarHBondContact O-CD 3.4Å
523V48.2Very low55.5Low73 Ų7393.6 Ų93.644%0.44252%0.523SS..  trans-60122.7173.7-178.20000107E521 F525E521-V523 PolarHBondContact O-N 3.17Å; V523-F525 PolarHBondContact O-N 3.43Å
524P52.2Low55.5Low83 Ų8396 Ų9654%0.53954%0.538SS..  trans-61.9113179.423.5-32.1000109P522 F526 M527P522-P524 WeakPolarHBondContact O-CD 3.4Å; P524-F526 PolarHBondContact O-N 3.01Å; P524-M527 HydrophobicContact CG-CE 4.32Å
525F55Low55.8Low41 Ų4195.6 Ų95.618%0.1853%0.532CS..SBendtrans-67.5-7.2-174.8-58.9-82000113.8F387 V415 L425 V523F387-F525 HydrophobicContact CD1-CE1 4.37Å; F387-F525 HydrophobicContact CE1-CD1 4.12Å; F387-F525 AromaticContact CE1-CE1 3.51Å; F387-F525 HydrophobicContact CE1-CE1 3.51Å; F387-F525 HydrophobicContact CE1-CZ 4.24Å; F387-F525 HydrophobicContact CZ-CD1 4.44Å; F387-F525 HydrophobicContact CZ-CE1 4.25Å; V415-F525 HydrophobicContact CB-CD2 4.43Å; V415-F525 HydrophobicContact CB-CG 4.4Å; V415-F525 HydrophobicContact CG1-CB 4.06Å; V415-F525 HydrophobicContact CG1-CD2 3.36Å; V415-F525 HydrophobicContact CG1-CE2 3.87Å; V415-F525 HydrophobicContact CG1-CG 3.76Å; V415-F525 HydrophobicContact CG2-CB 3.64Å; V415-F525 HydrophobicContact CG2-CD1 4.1Å; V415-F525 HydrophobicContact CG2-CD2 4.26Å; V415-F525 HydrophobicContact CG2-CG 3.75Å; L425-F525 HydrophobicContact CB-CD1 4.18Å; L425-F525 HydrophobicContact CB-CE1 3.88Å; L425-F525 HydrophobicContact CD2-CD1 4.42Å; V523-F525 PolarHBondContact O-N 3.43Å
526F54.3Low56.5Low51 Ų5197.8 Ų97.822%0.22454%0.542CS..  trans-121.5116.1178.4-60.8-82.2000109.2N249 F411 Q412 V415 P524 Q528N249-F526 HydrophobicContact CB-CD1 4.27Å; N249-F526 HydrophobicContact CB-CD2 4.43Å; N249-F526 HydrophobicContact CB-CE1 3.86Å; N249-F526 HydrophobicContact CB-CE2 4.05Å; N249-F526 HydrophobicContact CB-CZ 3.75Å; F411-F526 HydrophobicContact CD1-CE1 4.35Å; F411-F526 HydrophobicContact CD1-CZ 4.48Å; Q412-F526 HydrophobicContact CB-CZ 4.26Å; V415-F526 HydrophobicContact CG1-CE2 4.5Å; V415-F526 HydrophobicContact CG2-CE2 4.49Å; P524-F526 PolarHBondContact O-N 3.01Å; F526-Q528 VanDerWaalsContact C-N 3.32Å; F526-Q528 PolarHBondContact O-N 3.02Å
527M44.5Very low57.6Low168 Ų16898.5 Ų98.583%0.82854%0.541SS*.  trans-9253.9179.3-75.8-94.793.900111.7P524P524-M527 HydrophobicContact CG-CE 4.32Å
528Q39.5Very low58.8Low137 Ų13791.4 Ų91.464%0.6451%0.509SS*.SBendtrans-157.3141166.3-124.7166-22.600108.4F526 D530F526-Q528 VanDerWaalsContact C-N 3.32Å; F526-Q528 PolarHBondContact O-N 3.02Å; Q528-D530 PolarHBondContact O-N 3.42Å; Q528-D530 VanDerWaalsContact O-N 3.1Å
529T40.1Very low60.3Low128 Ų12894.7 Ų94.779%0.78552%0.52SS*.  trans-41.5115.4-177.244.20000111.8C531T529-C531 PolarHBondContact O-N 2.93Å
530D44.1Very low62.1Low97 Ų9793.4 Ų93.452%0.51951%0.512SS..  trans-52.6110.7-172.4-67.3-73.7000111.5Q528 T532Q528-D530 PolarHBondContact O-N 3.42Å; Q528-D530 VanDerWaalsContact O-N 3.1Å; D530-T532 HydrophobicContact CB-CG2 3.96Å; D530-T532 PolarHBondContact O-N 3.37Å
531C51.8Low63.8Low72 Ų7288.8 Ų88.849%0.48649%0.494SS..  trans-71.565.7166.8-78.30000109.6P248 T529 V533P248-C531 WeakPolarHBondContact CG-O 3.3Å; T529-C531 PolarHBondContact O-N 2.93Å; C531-V533 PolarHBondContact O-N 2.93Å
532T61.1Low65.9Low110 Ų11081.9 Ų81.968%0.67546%0.461SS*.  trans-59.4-15.7166.153.60000112.2D530 T534D530-T532 HydrophobicContact CB-CG2 3.96Å; D530-T532 PolarHBondContact O-N 3.37Å; T532-T534 PolarHBondContact O-N 3.35Å
533V74.7Confident67.7Low70 Ų7079.2 Ų79.242%0.42444%0.438SS..  trans-75.491177.5-168.40000110.1C531 S535 Q536C531-V533 PolarHBondContact O-N 2.93Å; V533-S535 VanDerWaalsContact C-N 3.32Å; V533-S535 WeakPolarHBondContact CG1-O 3.26Å; V533-S535 PolarHBondContact O-N 2.89Å; V533-Q536 HydrophobicContact CG1-CG 3.42Å; V533-Q536 VanDerWaalsContact CG1-CG 3.42Å
534T86.3Confident69.6Low61 Ų6176.1 Ų76.137%0.37442%0.419SS..  trans-70.3-23.4179.352.50000114.3T234 L245 V246 P248 T532T234-T534 WeakPolarHBondContact OG1-CB 3.49Å; T234-T534 PolarHBondContact OG1-O 3.35Å; T234-T534 VanDerWaalsContact OG1-O 3.1Å; L245-T534 WeakPolarHBondContact CA-O 3.41Å; V246-T534 PolarHBondContact N-O 2.98Å; V246-T534 WeakPolarHBondContact O-CA 3.31Å; P248-T534 HydrophobicContact CG-CG2 3.82Å; T532-T534 PolarHBondContact O-N 3.35Å
535S90.1Very high71.3Confident35 Ų3575.5 Ų75.525%0.24542%0.415CS..EExtended strand (participates in β ladder)trans-147.6136.9-178.5-178.30000111.4F238 R244 V533F238-S535 WeakPolarHBondContact CZ-OG 3.47Å; R244-S535 CarbonylContact O-C 3.44Å; R244-S535 WeakPolarHBondContact O-CA 3.22Å; V533-S535 VanDerWaalsContact C-N 3.32Å; V533-S535 WeakPolarHBondContact CG1-O 3.26Å; V533-S535 PolarHBondContact O-N 2.89Å
536Q89.9Confident72.9Confident55 Ų5576.9 Ų76.926%0.25742%0.424SS..EExtended strand (participates in β ladder)trans-134.1134177.2-60.8-177.91200109.5F238 G243 R244 V533 K540 A541F238-Q536 WeakPolarHBondContact CE1-O 3.31Å; G243-Q536 CarbonylContact C-O 3.55Å; G243-Q536 WeakPolarHBondContact CA-O 3.41Å; R244-Q536 PolarHBondContact N-O 2.82Å; R244-Q536 PolarHBondContact O-N 2.83Å; V533-Q536 HydrophobicContact CG1-CG 3.42Å; V533-Q536 VanDerWaalsContact CG1-CG 3.42Å; Q536-K540 PolarHBondContact OE1-O 2.9Å; Q536-A541 HydrophobicContact CB-CB 3.76Å; Q536-A541 WeakPolarHBondContact O-CB 3.49Å
537T87.6Confident74.6Confident74 Ų7478.2 Ų78.245%0.45444%0.44SS..EExtended strand (participates in β ladder)trans-121.5149.3-177.754.70000112.5V237 F238V237-T537 WeakPolarHBondContact O-CG2 3.29Å; F238-T537 HydrophobicContact CD1-CG2 3.98Å; F238-T537 HydrophobicContact CE1-CG2 3.89Å
538G81.1Confident76.7Confident7 Ų773 Ų737%0.07242%0.415CS..G310 helixtrans58.8-146.5178.300000113.4G242 K540 A541 F542G242-G538 PolarHBondContact O-N 3.17Å; G538-K540 PolarHBondContact O-N 2.87Å; G538-A541 WeakPolarHBondContact O-CB 3.43Å; G538-A541 PolarHBondContact O-N 3.5Å; G538-F542 VanDerWaalsContact O-CD2 3.22Å; G538-F542 WeakPolarHBondContact O-CD2 3.38Å
539P79.1Confident79.2Confident124 Ų12467.2 Ų67.281%0.80539%0.387SS*.G310 helixtrans-67.3-7.8-165.229.2-37.3000115
540K82.3Confident81.6Confident182 Ų18266.5 Ų66.579%0.79138%0.375SS*.G310 helixtrans-79.8-22.8173.8-65.3-176.9179.3-179.20113Q536 G538Q536-K540 PolarHBondContact OE1-O 2.9Å; G538-K540 PolarHBondContact O-N 2.87Å
541A84.8Confident83.7Confident12 Ų1268.7 Ų68.710%0.09938%0.376CS..SBendtrans-85.9-13.1-177.400000113.8R244 Q536 G538R244-A541 HydrophobicContact CB-CB 4.02Å; Q536-A541 HydrophobicContact CB-CB 3.76Å; Q536-A541 WeakPolarHBondContact O-CB 3.49Å; G538-A541 WeakPolarHBondContact O-CB 3.43Å; G538-A541 PolarHBondContact O-N 3.5Å
542F88.7Confident85.5Confident29 Ų2965.9 Ų65.913%0.12736%0.356CS..  trans-116.2145.8-175.4-57.1-75.6000110V241 L255 V256 G538 E597V241-F542 WeakPolarHBondContact O-CE2 3.33Å; L255-F542 HydrophobicContact CD1-CD1 4.05Å; L255-F542 HydrophobicContact CD1-CE1 3.72Å; L255-F542 HydrophobicContact CG-CE1 4.34Å; V256-F542 WeakPolarHBondContact O-CZ 3.48Å; G538-F542 VanDerWaalsContact O-CD2 3.22Å; G538-F542 WeakPolarHBondContact O-CD2 3.38Å; F542-E597 WeakPolarHBondContact CD1-OE2 3.19Å
543K86.1Confident86.9Confident55 Ų5561.3 Ų61.324%0.23933%0.328CS..SBendtrans-87.6-35174.4-71.5-179.8174178.40111.4P545 E597 H600 Q601 D602 D605 L606K543-P545 WeakPolarHBondContact O-CD 3.46Å; K543-E597 PolarHBondContact N-OE1 3.18Å; K543-H600 WeakPolarHBondContact CE-O 3.47Å; K543-H600 PolarHBondContact NZ-O 2.86Å; K543-Q601 WeakPolarHBondContact CE-O 3.13Å; K543-Q601 PolarHBondContact NZ-O 3.42Å; K543-D602 WeakPolarHBondContact CE-O 3.48Å; K543-D602 PolarHBondContact NZ-O 3.31Å; K543-D605 IonicContact NZ-OD2 2.66Å; K543-D605 PolarHBondContact NZ-OD2 3.1Å; K543-L606 HydrophobicContact CB-CD2 4.32Å
544I88Confident87.6Confident8 Ų861.2 Ų61.24%0.04134%0.335CS..SBendtrans-87.4116.3-177.2-53.7174.2000108.3L546 I548 R549 L593 W596 E597 L609I544-L546 PolarHBondContact O-N 3.22Å; I544-I548 HydrophobicContact CG2-CB 4.25Å; I544-I548 HydrophobicContact CG2-CG2 4.06Å; I544-R549 HydrophobicContact CG2-CB 3.94Å; I544-L593 HydrophobicContact CD1-CB 4.38Å; I544-L593 HydrophobicContact CD1-CD2 3.95Å; I544-W596 HydrophobicContact CD1-CE3 3.91Å; I544-W596 HydrophobicContact CD1-CZ3 4.01Å; I544-W596 HydrophobicContact CG1-CE3 4.48Å; I544-W596 HydrophobicContact CG1-CZ3 4.09Å; I544-E597 HydrophobicContact CD1-CG 3.92Å; I544-E597 HydrophobicContact CG1-CG 4.11Å; I544-E597 PolarHBondContact N-OE1 3.35Å; I544-L609 HydrophobicContact CD1-CD2 3.59Å; I544-L609 HydrophobicContact CG1-CD2 4.18Å
545P89Confident87.7Confident70 Ų7061 Ų6146%0.45533%0.333SS..  trans-57.1138.3174.6-24.935.2000111.3K543 S547 I548 R549K543-P545 WeakPolarHBondContact O-CD 3.46Å; P545-S547 PolarHBondContact O-N 3.45Å; P545-S547 VanDerWaalsContact O-N 3.09Å; P545-I548 HydrophobicContact CB-CD1 4.4Å; P545-I548 HydrophobicContact CB-CG1 4.48Å; P545-I548 HydrophobicContact CG-CD1 4.09Å; P545-I548 WeakPolarHBondContact O-CA 3.26Å; P545-I548 WeakPolarHBondContact O-CB 3.36Å; P545-I548 PolarHBondContact O-N 3.12Å; P545-R549 PolarHBondContact O-N 3.27Å
546L88.1Confident87.5Confident69 Ų6959.9 Ų59.936%0.36132%0.324SS..Hα-helixtrans-53.5-37.5-174.4-177.663.3000113.2H258 I544 I548 R549 Q550H258-L546 HydrophobicContact CB-CD1 4.3Å; I544-L546 PolarHBondContact O-N 3.22Å; L546-I548 VanDerWaalsContact C-N 3.34Å; L546-I548 PolarHBondContact O-N 3.41Å; L546-R549 PolarHBondContact O-N 3.49Å; L546-Q550 HydrophobicContact CD1-CG 4.16Å; L546-Q550 HydrophobicContact CG-CG 4.33Å; L546-Q550 WeakPolarHBondContact O-CB 3.33Å; L546-Q550 VanDerWaalsContact O-CG 3.29Å; L546-Q550 WeakPolarHBondContact O-CG 3.43Å; L546-Q550 PolarHBondContact O-N 3.29Å
547S89.3Confident87.4Confident80 Ų8059.9 Ų59.956%0.55933%0.326SS*.Hα-helixtrans-64.7-34.1177.153.40000113.7P545 R551P545-S547 PolarHBondContact O-N 3.45Å; P545-S547 VanDerWaalsContact O-N 3.09Å; S547-R551 WeakPolarHBondContact O-CB 3.48Å; S547-R551 PolarHBondContact O-N 3.16Å
548I89.6Confident87.2Confident58 Ų5860.4 Ų60.430%0.29733%0.329SS..Hα-helixtrans-75.6-46.8174.3-65.7176.8000109L115 I544 P545 L546 Q550 R551 I552L115-I548 HydrophobicContact CD1-CD1 3.74Å; L115-I548 HydrophobicContact CD1-CG1 4.46Å; I544-I548 HydrophobicContact CG2-CB 4.25Å; I544-I548 HydrophobicContact CG2-CG2 4.06Å; P545-I548 HydrophobicContact CB-CD1 4.4Å; P545-I548 HydrophobicContact CB-CG1 4.48Å; P545-I548 HydrophobicContact CG-CD1 4.09Å; P545-I548 WeakPolarHBondContact O-CA 3.26Å; P545-I548 WeakPolarHBondContact O-CB 3.36Å; P545-I548 PolarHBondContact O-N 3.12Å; L546-I548 VanDerWaalsContact C-N 3.34Å; L546-I548 PolarHBondContact O-N 3.41Å; I548-Q550 PolarHBondContact O-N 3.35Å; I548-R551 PolarHBondContact O-N 3.43Å; I548-R551 VanDerWaalsContact O-N 3.12Å; I548-I552 HydrophobicContact CG2-CD1 3.79Å; I548-I552 HydrophobicContact CG2-CG1 4.36Å; I548-I552 WeakPolarHBondContact O-CG1 3.37Å; I548-I552 PolarHBondContact O-N 3.06Å
549R90.8Very high86.5Confident15 Ų1565.1 Ų65.16%0.05737%0.368CS..Hα-helixtrans-53.7-52.1177.1-170.4-179-170.1127.69111.8I544 P545 L546 R551 I552 C553 A590 L593 S594 E597I544-R549 HydrophobicContact CG2-CB 3.94Å; P545-R549 PolarHBondContact O-N 3.27Å; L546-R549 PolarHBondContact O-N 3.49Å; R549-R551 VanDerWaalsContact C-N 3.3Å; R549-R551 PolarHBondContact O-N 2.88Å; R549-I552 PolarHBondContact O-N 3.21Å; R549-C553 PolarHBondContact O-N 3.48Å; R549-C553 PolarHBondContact O-SG 2.9Å; R549-A590 PolarHBondContact NH2-O 2.92Å; R549-L593 HydrophobicContact CG-CD1 3.88Å; R549-S594 PolarHBondContact NH2-OG 2.84Å; R549-E597 IonicContact CZ-OE2 2.63Å; R549-E597 IonicContact NH1-OE2 3.02Å; R549-E597 PolarHBondContact NH1-OE2 3.21Å
550Q91.3Very high85.8Confident113 Ų11362.1 Ų62.153%0.52834%0.344SS..Hα-helixtrans-59.7-38178.1-74.6173.4-19.700112.6L546 I548 C553 A554L546-Q550 HydrophobicContact CD1-CG 4.16Å; L546-Q550 HydrophobicContact CG-CG 4.33Å; L546-Q550 WeakPolarHBondContact O-CB 3.33Å; L546-Q550 VanDerWaalsContact O-CG 3.29Å; L546-Q550 WeakPolarHBondContact O-CG 3.43Å; L546-Q550 PolarHBondContact O-N 3.29Å; I548-Q550 PolarHBondContact O-N 3.35Å; Q550-C553 PolarHBondContact O-N 2.92Å; Q550-A554 VanDerWaalsContact O-CB 3.3Å; Q550-A554 WeakPolarHBondContact O-CB 3.15Å; Q550-A554 PolarHBondContact O-N 3.26Å
551R88.4Confident84.6Confident143 Ų14358.8 Ų58.854%0.5435%0.351SS..Hα-helixtrans-68.9-41.9177.5-172.9-178-63.4-179.3-0.2112.2T116 S547 I548 R549 T555T116-R551 VanDerWaalsContact CG2-NH1 3.32Å; S547-R551 WeakPolarHBondContact O-CB 3.48Å; S547-R551 PolarHBondContact O-N 3.16Å; I548-R551 PolarHBondContact O-N 3.43Å; I548-R551 VanDerWaalsContact O-N 3.12Å; R549-R551 VanDerWaalsContact C-N 3.3Å; R549-R551 PolarHBondContact O-N 2.88Å; R551-T555 WeakPolarHBondContact O-CB 3.21Å; R551-T555 PolarHBondContact O-N 3.45Å; R551-T555 VanDerWaalsContact O-N 3.17Å; R551-T555 PolarHBondContact O-OG1 2.88Å
552I89.5Confident83.6Confident14 Ų1464.9 Ų64.97%0.07238%0.375CS..Hα-helixtrans-59.8-50.5173.6-64.8168000108.6I548 R549 A554 T555 F556 L569 L593 L613I548-I552 HydrophobicContact CG2-CD1 3.79Å; I548-I552 HydrophobicContact CG2-CG1 4.36Å; I548-I552 WeakPolarHBondContact O-CG1 3.37Å; I548-I552 PolarHBondContact O-N 3.06Å; R549-I552 PolarHBondContact O-N 3.21Å; I552-A554 PolarHBondContact O-N 2.88Å; I552-T555 WeakPolarHBondContact O-CB 3.29Å; I552-T555 PolarHBondContact O-N 2.85Å; I552-F556 HydrophobicContact CG2-CD2 3.63Å; I552-F556 HydrophobicContact CG2-CE2 3.99Å; I552-F556 WeakPolarHBondContact O-CD2 3.32Å; I552-F556 PolarHBondContact O-N 2.97Å; I552-L569 HydrophobicContact CG2-CD2 4.31Å; I552-L593 HydrophobicContact CB-CD1 4.18Å; I552-L593 HydrophobicContact CD1-CD1 4.44Å; I552-L593 HydrophobicContact CG2-CD1 3.9Å; I552-L613 HydrophobicContact CD1-CD1 3.96Å; I552-L613 HydrophobicContact CG1-CD1 4.43Å
553C91.1Very high82.5Confident13 Ų1365.6 Ų65.69%0.08839%0.391CS..Hα-helixtrans-59.8-47.9-179.8-63.30000113.4R549 Q550 T555 F556 D557 S589R549-C553 PolarHBondContact O-N 3.48Å; R549-C553 PolarHBondContact O-SG 2.9Å; Q550-C553 PolarHBondContact O-N 2.92Å; C553-T555 PolarHBondContact O-N 3.09Å; C553-T555 VanDerWaalsContact O-N 3.09Å; C553-F556 PolarHBondContact O-N 3.31Å; C553-D557 VanDerWaalsContact O-CB 3.32Å; C553-D557 WeakPolarHBondContact O-CB 3.44Å; C553-D557 PolarHBondContact O-N 3.02Å; C553-S589 WeakPolarHBondContact CA-OG 3.36Å; C553-S589 WeakPolarHBondContact CB-OG 3.24Å; C553-S589 PolarHBondContact SG-OG 3Å
554A88.9Confident81.9Confident69 Ų6964.8 Ų64.857%0.5739%0.387SS*.Hα-helixtrans-60.8-19.7175.600000114.2Q550 I552 T558Q550-A554 VanDerWaalsContact O-CB 3.3Å; Q550-A554 WeakPolarHBondContact O-CB 3.15Å; Q550-A554 PolarHBondContact O-N 3.26Å; I552-A554 PolarHBondContact O-N 2.88Å; A554-T558 WeakPolarHBondContact O-CG2 3.21Å; A554-T558 PolarHBondContact O-OG1 2.93Å
555T87.3Confident81.8Confident56 Ų5666.1 Ų66.134%0.34439%0.394SS..Hα-helixtrans-89.8-38.2177.8-53.70000112.3R551 I552 C553 T558R551-T555 WeakPolarHBondContact O-CB 3.21Å; R551-T555 PolarHBondContact O-N 3.45Å; R551-T555 VanDerWaalsContact O-N 3.17Å; R551-T555 PolarHBondContact O-OG1 2.88Å; I552-T555 WeakPolarHBondContact O-CB 3.29Å; I552-T555 PolarHBondContact O-N 2.85Å; C553-T555 PolarHBondContact O-N 3.09Å; C553-T555 VanDerWaalsContact O-N 3.09Å; T555-T558 PolarHBondContact O-OG1 2.9Å
556F87Confident81.8Confident12 Ų1264.3 Ų64.35%0.05338%0.378CS..Hα-helixtrans-99.9-21.6-170.8-74.5-74000114.7I552 C553 D565 W566 L569 L613 I616I552-F556 HydrophobicContact CG2-CD2 3.63Å; I552-F556 HydrophobicContact CG2-CE2 3.99Å; I552-F556 WeakPolarHBondContact O-CD2 3.32Å; I552-F556 PolarHBondContact O-N 2.97Å; C553-F556 PolarHBondContact O-N 3.31Å; F556-D565 VanDerWaalsContact CD1-O 3.29Å; F556-D565 WeakPolarHBondContact CD1-O 3.42Å; F556-W566 HydrophobicContact CB-CB 4.45Å; F556-W566 PolarHBondContact O-N 2.93Å; F556-W566 VanDerWaalsContact O-N 3.08Å; F556-L569 HydrophobicContact CD1-CB 4.24Å; F556-L569 HydrophobicContact CD2-CD2 4.15Å; F556-L569 HydrophobicContact CE1-CB 4.28Å; F556-L569 HydrophobicContact CE2-CD2 4.49Å; F556-L569 HydrophobicContact CG-CD2 4.25Å; F556-L613 HydrophobicContact CE2-CD2 3.54Å; F556-L613 HydrophobicContact CZ-CD2 3.81Å; F556-I616 HydrophobicContact CE1-CD1 4.12Å; F556-I616 HydrophobicContact CE1-CG2 3.92Å; F556-I616 HydrophobicContact CZ-CD1 4.05Å; F556-I616 HydrophobicContact CZ-CG2 3.97Å
557D87.4Confident81.9Confident55 Ų5565.1 Ų65.129%0.29438%0.38SS..SBendtrans-79.7-24173.8-63.9-24.1000112.2C553 A559 S587 P588 S589C553-D557 VanDerWaalsContact O-CB 3.32Å; C553-D557 WeakPolarHBondContact O-CB 3.44Å; C553-D557 PolarHBondContact O-N 3.02Å; D557-A559 PolarHBondContact O-N 3.08Å; D557-S587 VanDerWaalsContact OD2-CB 3.29Å; D557-S587 WeakPolarHBondContact OD2-CB 3.41Å; D557-S587 PolarHBondContact OD2-OG 2.94Å; D557-P588 WeakPolarHBondContact OD1-CD 3.34Å; D557-S589 WeakPolarHBondContact OD1-CB 3.31Å; D557-S589 PolarHBondContact OD1-N 3.12Å; D557-S589 PolarHBondContact OD1-OG 3.43Å; D557-S589 PolarHBondContact OD2-OG 3.17Å
558T82.8Confident81.8Confident85 Ų8562.6 Ų62.652%0.52136%0.36SS..SBendtrans-74.9120.6174.154.10000110.5A554 T555 N560A554-T558 WeakPolarHBondContact O-CG2 3.21Å; A554-T558 PolarHBondContact O-OG1 2.93Å; T555-T558 PolarHBondContact O-OG1 2.9Å; T558-N560 PolarHBondContact O-N 2.87Å
559A66.8Low81.8Confident106 Ų10659.8 Ų59.888%0.87635%0.346SS*.  trans-55.4110.417800000111.4D557D557-A559 PolarHBondContact O-N 3.08Å
560N65.3Low81.7Confident60 Ų6059.1 Ų59.132%0.32134%0.344SS..  trans-103.3118.2-174.2-169.4-21.3000110.2T558 K562 G563 K564T558-N560 PolarHBondContact O-N 2.87Å; N560-K562 PolarHBondContact O-N 3.49Å; N560-K562 WeakPolarHBondContact OD1-CB 3.37Å; N560-K562 PolarHBondContact OD1-N 3.12Å; N560-K562 VanDerWaalsContact OD1-N 3.11Å; N560-G563 PolarHBondContact O-N 3.39Å; N560-K564 WeakPolarHBondContact CB-O 3.49Å
561A57.4Low81.6Confident113 Ų11358.9 Ų58.993%0.93434%0.342SS*.THydrogen-bonded Turntrans-58.3-8.5178.500000114.6
562K62.8Low81.6Confident140 Ų14055.4 Ų55.461%0.60933%0.331SS*.THydrogen-bonded Turntrans-96.87.3176.3-59-178.8173.4-170.30114.5N560 K564N560-K562 PolarHBondContact O-N 3.49Å; N560-K562 WeakPolarHBondContact OD1-CB 3.37Å; N560-K562 PolarHBondContact OD1-N 3.12Å; N560-K562 VanDerWaalsContact OD1-N 3.11Å; K562-K564 PolarHBondContact O-N 2.94Å
563G65.9Low81.5Confident43 Ų4355.1 Ų55.144%0.44333%0.33SS..SBendtrans66.619.9-178.800000114.5N560 D565N560-G563 PolarHBondContact O-N 3.39Å; G563-D565 PolarHBondContact O-N 2.85Å
564K72.3Confident81.3Confident39 Ų3961.3 Ų61.317%0.1736%0.357CS..  trans-96.976.7171.8-61.1-166.8-176.2-159.40109N560 K562 L568 I616 G617N560-K564 WeakPolarHBondContact CB-O 3.49Å; K562-K564 PolarHBondContact O-N 2.94Å; K564-L568 HydrophobicContact CG-CD2 4.46Å; K564-I616 HydrophobicContact CB-CG2 4.49Å; K564-I616 HydrophobicContact CD-CG2 4.19Å; K564-I616 VanDerWaalsContact CE-O 3.27Å; K564-I616 WeakPolarHBondContact CE-O 3.35Å; K564-I616 HydrophobicContact CG-CG2 4.37Å; K564-I616 PolarHBondContact NZ-O 3.04Å; K564-G617 PolarHBondContact NZ-O 3.49Å
565D87.2Confident81.2Confident36 Ų3658.1 Ų58.119%0.19333%0.331CS..SBendtrans-122.9-178.9-177.262.513.9000111.4F556 G563 Q567 L568 L569F556-D565 VanDerWaalsContact CD1-O 3.29Å; F556-D565 WeakPolarHBondContact CD1-O 3.42Å; G563-D565 PolarHBondContact O-N 2.85Å; D565-Q567 PolarHBondContact O-N 2.91Å; D565-Q567 WeakPolarHBondContact OD1-CA 3.4Å; D565-Q567 VanDerWaalsContact OD1-CB 3.29Å; D565-Q567 WeakPolarHBondContact OD1-CB 3.36Å; D565-Q567 PolarHBondContact OD1-N 3.43Å; D565-L568 PolarHBondContact O-N 3.16Å; D565-L568 PolarHBondContact OD1-N 2.93Å; D565-L569 PolarHBondContact O-N 2.8Å
566W88.5Confident80.9Confident31 Ų3158.8 Ų58.812%0.11733%0.332CS..Hα-helixtrans-60-21.1176.663.1-94.4000113.7F556 L569 A570 L579 F582 A583 P588 I592F556-W566 HydrophobicContact CB-CB 4.45Å; F556-W566 PolarHBondContact O-N 2.93Å; F556-W566 VanDerWaalsContact O-N 3.08Å; W566-L569 PolarHBondContact O-N 2.84Å; W566-A570 WeakPolarHBondContact O-CB 3.33Å; W566-A570 PolarHBondContact O-N 3.32Å; W566-L579 HydrophobicContact CH2-CB 4.2Å; W566-L579 WeakPolarHBondContact CH2-O 3.37Å; W566-L579 HydrophobicContact CZ3-CB 4.15Å; W566-L579 HydrophobicContact CZ3-CD2 3.93Å; W566-F582 HydrophobicContact CE3-CB 4.13Å; W566-F582 HydrophobicContact CH2-CB 4.34Å; W566-F582 HydrophobicContact CZ3-CB 3.68Å; W566-A583 HydrophobicContact CH2-CB 3.81Å; W566-A583 HydrophobicContact CZ2-CB 3.88Å; W566-P588 HydrophobicContact CB-CB 4.06Å; W566-P588 HydrophobicContact CD2-CB 3.52Å; W566-P588 HydrophobicContact CD2-CG 4.13Å; W566-P588 HydrophobicContact CE3-CB 3.88Å; W566-P588 HydrophobicContact CG-CB 3.59Å; W566-P588 HydrophobicContact CG-CG 4.15Å; W566-I592 HydrophobicContact CB-CD1 4.25Å; W566-I592 HydrophobicContact CE3-CD1 4.07Å
567Q90.3Very high80.7Confident86 Ų8664.3 Ų64.340%0.40235%0.353SS..Hα-helixtrans-72.6-44.9177.3-55.6-172.4-21.900110.5D565 L569 A570 Q571 L579D565-Q567 PolarHBondContact O-N 2.91Å; D565-Q567 WeakPolarHBondContact OD1-CA 3.4Å; D565-Q567 VanDerWaalsContact OD1-CB 3.29Å; D565-Q567 WeakPolarHBondContact OD1-CB 3.36Å; D565-Q567 PolarHBondContact OD1-N 3.43Å; Q567-L569 VanDerWaalsContact C-N 3.27Å; Q567-L569 PolarHBondContact O-N 2.9Å; Q567-A570 PolarHBondContact O-N 3.22Å; Q567-Q571 WeakPolarHBondContact O-CB 3.47Å; Q567-Q571 PolarHBondContact O-N 3.34Å; Q567-L579 HydrophobicContact CB-CD1 4.4Å; Q567-L579 HydrophobicContact CG-CD1 4.48Å
568L88.1Confident80.6Confident27 Ų2762.2 Ų62.214%0.14134%0.341CS..Hα-helixtrans-62.6-35.9173.3-176.864.1000111.8K564 D565 K572 I616 I619K564-L568 HydrophobicContact CG-CD2 4.46Å; D565-L568 PolarHBondContact O-N 3.16Å; D565-L568 PolarHBondContact OD1-N 2.93Å; L568-K572 HydrophobicContact CD1-CG 4.46Å; L568-K572 WeakPolarHBondContact O-CB 3.43Å; L568-K572 VanDerWaalsContact O-CG 3.31Å; L568-K572 WeakPolarHBondContact O-CG 3.48Å; L568-K572 PolarHBondContact O-N 3.09Å; L568-I616 HydrophobicContact CD2-CG1 4.06Å; L568-I616 HydrophobicContact CD2-CG2 4.02Å; L568-I616 HydrophobicContact CG-CD1 4.41Å; L568-I616 HydrophobicContact CG-CG1 4.08Å; L568-I619 HydrophobicContact CD1-CD1 4.47Å; L568-I619 HydrophobicContact CD2-CD1 4.1Å
569L89Confident80.8Confident0 Ų060.4 Ų60.40%033%0.328CS..Hα-helixtrans-64.3-45.8172.7-178.163.8000111.8I552 F556 D565 W566 Q567 K572 L573 I592 L613 I616I552-L569 HydrophobicContact CG2-CD2 4.31Å; F556-L569 HydrophobicContact CD1-CB 4.24Å; F556-L569 HydrophobicContact CD2-CD2 4.15Å; F556-L569 HydrophobicContact CE1-CB 4.28Å; F556-L569 HydrophobicContact CE2-CD2 4.49Å; F556-L569 HydrophobicContact CG-CD2 4.25Å; D565-L569 PolarHBondContact O-N 2.8Å; W566-L569 PolarHBondContact O-N 2.84Å; Q567-L569 VanDerWaalsContact C-N 3.27Å; Q567-L569 PolarHBondContact O-N 2.9Å; L569-K572 PolarHBondContact O-N 2.71Å; L569-L573 HydrophobicContact CD1-CD1 3.98Å; L569-L573 HydrophobicContact CD1-CG 4.35Å; L569-L573 HydrophobicContact CG-CD1 4.13Å; L569-L573 WeakPolarHBondContact O-CG 3.45Å; L569-L573 PolarHBondContact O-N 3.15Å; L569-L573 VanDerWaalsContact O-N 3.1Å; L569-I592 HydrophobicContact CD2-CG2 4.39Å; L569-I592 HydrophobicContact CG-CG2 4.39Å; L569-L613 HydrophobicContact CD1-CD2 4.04Å; L569-I616 HydrophobicContact CB-CD1 4.37Å; L569-I616 HydrophobicContact CD1-CD1 4.05Å
570A89.5Confident81.7Confident0 Ų057 Ų570%030%0.303CS..Hα-helixtrans-59.2-48.2175.900000111.4W566 Q567 K572 L573 H574 L575 L579 I592W566-A570 WeakPolarHBondContact O-CB 3.33Å; W566-A570 PolarHBondContact O-N 3.32Å; Q567-A570 PolarHBondContact O-N 3.22Å; A570-K572 VanDerWaalsContact C-N 3.33Å; A570-K572 PolarHBondContact O-N 3.42Å; A570-L573 CarbonylContact O-C 3.59Å; A570-L573 PolarHBondContact O-N 3.24Å; A570-L573 VanDerWaalsContact O-N 3.14Å; A570-H574 PolarHBondContact O-N 3.17Å; A570-H574 VanDerWaalsContact O-N 3.08Å; A570-L575 HydrophobicContact CB-CB 4.39Å; A570-L575 PolarHBondContact O-N 3.29Å; A570-L579 HydrophobicContact CB-CD2 3.79Å; A570-I592 HydrophobicContact CB-CD1 3.92Å
571Q89.1Confident82.9Confident108 Ų10854.1 Ų54.151%0.50529%0.288SS..Hα-helixtrans-59-42.2177.9-170.2-177.939.200112.3Q567 L573 H574 D576Q567-Q571 WeakPolarHBondContact O-CB 3.47Å; Q567-Q571 PolarHBondContact O-N 3.34Å; Q571-L573 VanDerWaalsContact C-N 3.29Å; Q571-L573 PolarHBondContact O-N 2.92Å; Q571-H574 PolarHBondContact O-N 2.58Å; Q571-D576 HydrophobicContact CB-CB 4.38Å
572K87.7Confident84.5Confident71 Ų7148.7 Ų48.731%0.30924%0.243SC..Hα-helixtrans-71.6-19.7178.5-74.1-69.4179.8-1760114.5L568 L569 A570 A612 E615 I616L568-K572 HydrophobicContact CD1-CG 4.46Å; L568-K572 WeakPolarHBondContact O-CB 3.43Å; L568-K572 VanDerWaalsContact O-CG 3.31Å; L568-K572 WeakPolarHBondContact O-CG 3.48Å; L568-K572 PolarHBondContact O-N 3.09Å; L569-K572 PolarHBondContact O-N 2.71Å; A570-K572 VanDerWaalsContact C-N 3.33Å; A570-K572 PolarHBondContact O-N 3.42Å; K572-A612 HydrophobicContact CB-CB 4.12Å; K572-E615 WeakPolarHBondContact CD-OE2 3.28Å; K572-E615 WeakPolarHBondContact CE-OE2 3.29Å; K572-E615 IonicContact NZ-OE2 2.68Å; K572-E615 PolarHBondContact NZ-OE2 3.13Å; K572-I616 HydrophobicContact CB-CD1 4.3Å; K572-I616 HydrophobicContact CG-CD1 4.19Å; K572-I616 HydrophobicContact CG-CG1 4.04Å
573L86.9Confident85.7Confident8 Ų844.9 Ų44.94%0.04224%0.238CC..THydrogen-bonded Turntrans-97.62.7173.3-62.8177000113L569 A570 Q571 L575 I592 L609 A612L569-L573 HydrophobicContact CD1-CD1 3.98Å; L569-L573 HydrophobicContact CD1-CG 4.35Å; L569-L573 HydrophobicContact CG-CD1 4.13Å; L569-L573 WeakPolarHBondContact O-CG 3.45Å; L569-L573 PolarHBondContact O-N 3.15Å; L569-L573 VanDerWaalsContact O-N 3.1Å; A570-L573 CarbonylContact O-C 3.59Å; A570-L573 PolarHBondContact O-N 3.24Å; A570-L573 VanDerWaalsContact O-N 3.14Å; Q571-L573 VanDerWaalsContact C-N 3.29Å; Q571-L573 PolarHBondContact O-N 2.92Å; L573-L575 HydrophobicContact CB-CD1 3.91Å; L573-L575 HydrophobicContact CB-CG 4.03Å; L573-L575 HydrophobicContact CD1-CD1 4.43Å; L573-I592 HydrophobicContact CD1-CG2 3.91Å; L573-L609 HydrophobicContact CD1-CD1 4.14Å; L573-L609 HydrophobicContact CD2-CD1 4.12Å; L573-A612 HydrophobicContact CD2-CB 3.77Å
574H87.1Confident86.9Confident142 Ų14249.3 Ų49.366%0.65725%0.245SC*.THydrogen-bonded Turntrans58.843-173.7-53-68.3000113.4A570 Q571A570-H574 PolarHBondContact O-N 3.17Å; A570-H574 VanDerWaalsContact O-N 3.08Å; Q571-H574 PolarHBondContact O-N 2.58Å
575L86.2Confident87.7Confident3 Ų349 Ų492%0.01624%0.244CC..  trans-117.525.6-179.1-59.6177000112Y349 L351 A570 L573 F582 I592 L595Y349-L575 PolarHBondContact OH-O 3.41Å; L351-L575 HydrophobicContact CD1-CD2 3.81Å; L351-L575 HydrophobicContact CD2-CD2 3.59Å; L351-L575 HydrophobicContact CG-CD2 4.33Å; A570-L575 HydrophobicContact CB-CB 4.39Å; A570-L575 PolarHBondContact O-N 3.29Å; L573-L575 HydrophobicContact CB-CD1 3.91Å; L573-L575 HydrophobicContact CB-CG 4.03Å; L573-L575 HydrophobicContact CD1-CD1 4.43Å; L575-F582 WeakPolarHBondContact O-CE2 3.48Å; L575-I592 HydrophobicContact CD1-CG2 3.97Å; L575-L595 HydrophobicContact CD1-CD2 4.28Å; L575-L595 HydrophobicContact CD2-CD2 3.85Å; L575-L595 HydrophobicContact CD2-CG 4.35Å
576D81.4Confident87.7Confident70 Ų7057.1 Ų57.137%0.37427%0.272SS..  trans-90.8-0-171.753.7-33.1000115.1Q571 N578 L579Q571-D576 HydrophobicContact CB-CB 4.38Å; D576-N578 VanDerWaalsContact C-N 3.27Å; D576-N578 PolarHBondContact O-N 3.04Å; D576-L579 HydrophobicContact CB-CD2 4.29Å
577R83.3Confident87.8Confident128 Ų12856.9 Ų56.948%0.48328%0.275SS..THydrogen-bonded Turntrans-58.7-29.4-176.2-69.9-166.768.4-150.8-8.4115.5V341V341-R577 PolarHBondContact O-NH1 2.53Å; V341-R577 PolarHBondContact O-NH2 3.18Å
578N84.1Confident87.9Confident10 Ų1053.5 Ų53.55%0.05326%0.26CS..THydrogen-bonded Turntrans-149.582.1178176.8-8.1000109.4E344 S345 Y349 D576 G580 Y581 F582E344-N578 HydrophobicContact CG-CB 4.46Å; S345-N578 PolarHBondContact O-ND2 3.41Å; Y349-N578 HydrophobicContact CD2-CB 4.05Å; Y349-N578 HydrophobicContact CE2-CB 3.85Å; D576-N578 VanDerWaalsContact C-N 3.27Å; D576-N578 PolarHBondContact O-N 3.04Å; N578-G580 PolarHBondContact O-N 3.32Å; N578-G580 PolarHBondContact OD1-N 3.48Å; N578-Y581 PolarHBondContact OD1-N 3.31Å; N578-F582 WeakPolarHBondContact O-CD2 3.29Å
579L87.4Confident88.1Confident48 Ų4852.2 Ų52.225%0.25125%0.254SS..Hα-helixtrans-68.3-23.6176-61.7177.6000112.2W566 Q567 A570 D576 Y581 F582 A583W566-L579 HydrophobicContact CH2-CB 4.2Å; W566-L579 WeakPolarHBondContact CH2-O 3.37Å; W566-L579 HydrophobicContact CZ3-CB 4.15Å; W566-L579 HydrophobicContact CZ3-CD2 3.93Å; Q567-L579 HydrophobicContact CB-CD1 4.4Å; Q567-L579 HydrophobicContact CG-CD1 4.48Å; A570-L579 HydrophobicContact CB-CD2 3.79Å; D576-L579 HydrophobicContact CB-CD2 4.29Å; L579-Y581 VanDerWaalsContact C-N 3.34Å; L579-Y581 PolarHBondContact O-N 3.4Å; L579-F582 PolarHBondContact O-N 2.97Å; L579-A583 PolarHBondContact O-N 3.24Å
580G86.4Confident88.2Confident33 Ų3353.5 Ų53.534%0.3426%0.264SS..Hα-helixtrans-62.1-36.9178.400000113.5N578N578-G580 PolarHBondContact O-N 3.32Å; N578-G580 PolarHBondContact OD1-N 3.48Å
581Y89.8Confident88.4Confident0 Ų053.8 Ų53.80%027%0.266CS..Hα-helixtrans-63.4-50.6173177.1-95.9000111.6Y349 L360 D362 N578 L579 A583 K584 Q585 V591Y349-Y581 HydrophobicContact CD2-CD1 4.11Å; Y349-Y581 HydrophobicContact CD2-CG 4.36Å; Y349-Y581 HydrophobicContact CG-CD1 4.21Å; L360-Y581 HydrophobicContact CB-CE1 4.11Å; L360-Y581 HydrophobicContact CD1-CE1 3.8Å; D362-Y581 PolarHBondContact OD1-OH 2.85Å; N578-Y581 PolarHBondContact OD1-N 3.31Å; L579-Y581 VanDerWaalsContact C-N 3.34Å; L579-Y581 PolarHBondContact O-N 3.4Å; Y581-A583 VanDerWaalsContact C-N 3.32Å; Y581-A583 PolarHBondContact O-N 3.01Å; Y581-K584 PolarHBondContact O-N 3.04Å; Y581-Q585 HydrophobicContact CE1-CG 4.47Å; Y581-Q585 PolarHBondContact OH-NE2 2.85Å; Y581-V591 HydrophobicContact CE1-CG1 4.38Å
582F90.8Very high88.6Confident0 Ų048.7 Ų48.70%024%0.242CC..Hα-helixtrans-63.5-36.8-178.7-62.4-65.7000112.3Y349 L360 W566 L575 N578 L579 K584 Q585 P588 V591 I592 L595Y349-F582 HydrophobicContact CD1-CZ 4.41Å; Y349-F582 AromaticContact CD2-CE2 3.98Å; Y349-F582 HydrophobicContact CD2-CE2 3.98Å; Y349-F582 AromaticContact CD2-CZ 3.95Å; Y349-F582 HydrophobicContact CD2-CZ 3.95Å; Y349-F582 HydrophobicContact CE1-CZ 4.18Å; Y349-F582 HydrophobicContact CE2-CD2 4.42Å; Y349-F582 AromaticContact CE2-CE2 3.44Å; Y349-F582 HydrophobicContact CE2-CE2 3.44Å; Y349-F582 VanDerWaalsContact CE2-CE2 3.44Å; Y349-F582 AromaticContact CE2-CZ 3.66Å; Y349-F582 HydrophobicContact CE2-CZ 3.66Å; Y349-F582 HydrophobicContact CG-CZ 4.33Å; Y349-F582 AromaticContact CZ-CE2 3.85Å; Y349-F582 AromaticContact CZ-CZ 3.8Å; L360-F582 HydrophobicContact CD1-CE1 3.92Å; L360-F582 HydrophobicContact CD1-CZ 4.49Å; W566-F582 HydrophobicContact CE3-CB 4.13Å; W566-F582 HydrophobicContact CH2-CB 4.34Å; W566-F582 HydrophobicContact CZ3-CB 3.68Å; L575-F582 WeakPolarHBondContact O-CE2 3.48Å; N578-F582 WeakPolarHBondContact O-CD2 3.29Å; L579-F582 PolarHBondContact O-N 2.97Å; F582-K584 PolarHBondContact O-N 2.92Å; F582-Q585 VanDerWaalsContact O-CB 3.31Å; F582-Q585 WeakPolarHBondContact O-CB 3.37Å; F582-Q585 PolarHBondContact O-N 2.83Å; F582-P588 HydrophobicContact CB-CB 4.27Å; F582-P588 WeakPolarHBondContact O-CB 3.3Å; F582-P588 WeakPolarHBondContact O-CG 3.4Å; F582-V591 HydrophobicContact CD1-CB 4.4Å; F582-V591 HydrophobicContact CD1-CG1 4.05Å; F582-V591 HydrophobicContact CE1-CG1 4.01Å; F582-I592 HydrophobicContact CD1-CG1 3.78Å; F582-I592 HydrophobicContact CD2-CG1 4.48Å; F582-I592 HydrophobicContact CE1-CG1 3.86Å; F582-I592 HydrophobicContact CG-CD1 4.42Å; F582-I592 HydrophobicContact CG-CG1 4.12Å; F582-I592 HydrophobicContact CZ-CG1 4.26Å; F582-L595 HydrophobicContact CZ-CD2 4.05Å
583A89.2Confident88.8Confident60 Ų6045.3 Ų45.350%0.49623%0.227SC..Hα-helixtrans-61.2-23.3177.600000114.5W566 L579 Y581W566-A583 HydrophobicContact CH2-CB 3.81Å; W566-A583 HydrophobicContact CZ2-CB 3.88Å; L579-A583 PolarHBondContact O-N 3.24Å; Y581-A583 VanDerWaalsContact C-N 3.32Å; Y581-A583 PolarHBondContact O-N 3.01Å
584K89.9Confident89Confident135 Ų13545.1 Ų45.159%0.58723%0.227SC*.THydrogen-bonded Turntrans-81-14.8175.8-66-174.9-177.8-164.60113.5T346 Y581 F582T346-K584 PolarHBondContact OG1-NZ 3.08Å; Y581-K584 PolarHBondContact O-N 3.04Å; F582-K584 PolarHBondContact O-N 2.92Å
585Q89.3Confident89.3Confident33 Ų3338.3 Ų38.315%0.15420%0.196CC..SBendtrans-77149.4-174.8-58.7-62.2-25.800111.4Y581 F582 S587 V591Y581-Q585 HydrophobicContact CE1-CG 4.47Å; Y581-Q585 PolarHBondContact OH-NE2 2.85Å; F582-Q585 VanDerWaalsContact O-CB 3.31Å; F582-Q585 WeakPolarHBondContact O-CB 3.37Å; F582-Q585 PolarHBondContact O-N 2.83Å; Q585-S587 PolarHBondContact O-N 2.82Å; Q585-V591 HydrophobicContact CB-CG2 4Å; Q585-V591 HydrophobicContact CG-CB 4.38Å; Q585-V591 HydrophobicContact CG-CG1 4.44Å; Q585-V591 HydrophobicContact CG-CG2 3.94Å
586R87.3Confident89.5Confident206 Ų20638.4 Ų38.478%0.77720%0.195SC*.SBendtrans-59.5-30.1177.4-65.1-178.5179.6-167.11.8113.3
587S91.1Very high90Very high27 Ų2735.6 Ų35.619%0.18918%0.18CC..SBendtrans-143.698.9172.8168.50000107.1D557 Q585 S589 A590 V591D557-S587 VanDerWaalsContact OD2-CB 3.29Å; D557-S587 WeakPolarHBondContact OD2-CB 3.41Å; D557-S587 PolarHBondContact OD2-OG 2.94Å; Q585-S587 PolarHBondContact O-N 2.82Å; S587-S589 VanDerWaalsContact C-N 3.28Å; S587-S589 PolarHBondContact O-N 3.11Å; S587-A590 PolarHBondContact O-N 2.76Å; S587-A590 WeakPolarHBondContact OG-CB 3.34Å; S587-A590 PolarHBondContact OG-N 3.16Å; S587-V591 PolarHBondContact O-N 3.45Å
588P92Very high90.3Very high14 Ų1429.5 Ų29.59%0.09116%0.157CC..Hα-helixtrans-56.5-43.8179.2-25.733.7000111.8D557 W566 F582 A590 V591 I592D557-P588 WeakPolarHBondContact OD1-CD 3.34Å; W566-P588 HydrophobicContact CB-CB 4.06Å; W566-P588 HydrophobicContact CD2-CB 3.52Å; W566-P588 HydrophobicContact CD2-CG 4.13Å; W566-P588 HydrophobicContact CE3-CB 3.88Å; W566-P588 HydrophobicContact CG-CB 3.59Å; W566-P588 HydrophobicContact CG-CG 4.15Å; F582-P588 HydrophobicContact CB-CB 4.27Å; F582-P588 WeakPolarHBondContact O-CB 3.3Å; F582-P588 WeakPolarHBondContact O-CG 3.4Å; P588-A590 PolarHBondContact O-N 3.35Å; P588-V591 PolarHBondContact O-N 3.36Å; P588-I592 WeakPolarHBondContact O-CG1 3.27Å; P588-I592 PolarHBondContact O-N 3.06Å
589S92.1Very high90.5Very high0 Ų032.7 Ų32.70%017%0.169CC..Hα-helixtrans-66.4-36.2-179.965.10000113.3C553 D557 S587 V591 I592 L593C553-S589 WeakPolarHBondContact CA-OG 3.36Å; C553-S589 WeakPolarHBondContact CB-OG 3.24Å; C553-S589 PolarHBondContact SG-OG 3Å; D557-S589 WeakPolarHBondContact OD1-CB 3.31Å; D557-S589 PolarHBondContact OD1-N 3.12Å; D557-S589 PolarHBondContact OD1-OG 3.43Å; D557-S589 PolarHBondContact OD2-OG 3.17Å; S587-S589 VanDerWaalsContact C-N 3.28Å; S587-S589 PolarHBondContact O-N 3.11Å; S589-V591 VanDerWaalsContact C-N 3.27Å; S589-V591 PolarHBondContact O-N 2.98Å; S589-I592 PolarHBondContact O-N 2.86Å; S589-L593 VanDerWaalsContact O-CG 3.31Å; S589-L593 WeakPolarHBondContact O-CG 3.45Å; S589-L593 PolarHBondContact O-N 3.24Å
590A91.7Very high90.3Very high27 Ų2731.7 Ų31.722%0.22316%0.163CC..Hα-helixtrans-63.9-35.2177.600000112.1R549 S587 P588 S594R549-A590 PolarHBondContact NH2-O 2.92Å; S587-A590 PolarHBondContact O-N 2.76Å; S587-A590 WeakPolarHBondContact OG-CB 3.34Å; S587-A590 PolarHBondContact OG-N 3.16Å; P588-A590 PolarHBondContact O-N 3.35Å; A590-S594 PolarHBondContact O-N 2.92Å; A590-S594 PolarHBondContact O-OG 2.81Å
591V93.4Very high89.5Confident7 Ų734.4 Ų34.44%0.04217%0.166CC..Hα-helixtrans-75-40.3177.7179.10000111.1P306 L360 Y581 F582 Q585 S587 P588 S589 L593 S594 L595P306-V591 HydrophobicContact CG-CG1 3.91Å; P306-V591 HydrophobicContact CG-CG2 4Å; L360-V591 HydrophobicContact CD1-CG1 3.52Å; L360-V591 HydrophobicContact CD2-CG1 4.29Å; L360-V591 HydrophobicContact CG-CG1 4.5Å; Y581-V591 HydrophobicContact CE1-CG1 4.38Å; F582-V591 HydrophobicContact CD1-CB 4.4Å; F582-V591 HydrophobicContact CD1-CG1 4.05Å; F582-V591 HydrophobicContact CE1-CG1 4.01Å; Q585-V591 HydrophobicContact CB-CG2 4Å; Q585-V591 HydrophobicContact CG-CB 4.38Å; Q585-V591 HydrophobicContact CG-CG1 4.44Å; Q585-V591 HydrophobicContact CG-CG2 3.94Å; S587-V591 PolarHBondContact O-N 3.45Å; P588-V591 PolarHBondContact O-N 3.36Å; S589-V591 VanDerWaalsContact C-N 3.27Å; S589-V591 PolarHBondContact O-N 2.98Å; V591-L593 VanDerWaalsContact C-N 3.31Å; V591-L593 PolarHBondContact O-N 2.86Å; V591-S594 WeakPolarHBondContact O-CB 3.35Å; V591-S594 PolarHBondContact O-N 2.98Å; V591-L595 PolarHBondContact O-N 3.04Å
592I93.1Very high88.2Confident0 Ų038.7 Ų38.70%019%0.19CC..Hα-helixtrans-56.4-44.7170.5-70.8162.4000110.9W566 L569 A570 L573 L575 F582 P588 S589 L595 W596W566-I592 HydrophobicContact CB-CD1 4.25Å; W566-I592 HydrophobicContact CE3-CD1 4.07Å; L569-I592 HydrophobicContact CD2-CG2 4.39Å; L569-I592 HydrophobicContact CG-CG2 4.39Å; A570-I592 HydrophobicContact CB-CD1 3.92Å; L573-I592 HydrophobicContact CD1-CG2 3.91Å; L575-I592 HydrophobicContact CD1-CG2 3.97Å; F582-I592 HydrophobicContact CD1-CG1 3.78Å; F582-I592 HydrophobicContact CD2-CG1 4.48Å; F582-I592 HydrophobicContact CE1-CG1 3.86Å; F582-I592 HydrophobicContact CG-CD1 4.42Å; F582-I592 HydrophobicContact CG-CG1 4.12Å; F582-I592 HydrophobicContact CZ-CG1 4.26Å; P588-I592 WeakPolarHBondContact O-CG1 3.27Å; P588-I592 PolarHBondContact O-N 3.06Å; S589-I592 PolarHBondContact O-N 2.86Å; I592-L595 PolarHBondContact O-N 2.85Å; I592-W596 WeakPolarHBondContact O-CB 3.29Å; I592-W596 PolarHBondContact O-N 3.3Å
593L91.9Very high86.6Confident0 Ų043.9 Ų43.90%023%0.226CC..Hα-helixtrans-67.1-37176.6-67.4177.1000112.7I544 R549 I552 S589 V591 L595 W596 E597 L609I544-L593 HydrophobicContact CD1-CB 4.38Å; I544-L593 HydrophobicContact CD1-CD2 3.95Å; R549-L593 HydrophobicContact CG-CD1 3.88Å; I552-L593 HydrophobicContact CB-CD1 4.18Å; I552-L593 HydrophobicContact CD1-CD1 4.44Å; I552-L593 HydrophobicContact CG2-CD1 3.9Å; S589-L593 VanDerWaalsContact O-CG 3.31Å; S589-L593 WeakPolarHBondContact O-CG 3.45Å; S589-L593 PolarHBondContact O-N 3.24Å; V591-L593 VanDerWaalsContact C-N 3.31Å; V591-L593 PolarHBondContact O-N 2.86Å; L593-L595 VanDerWaalsContact C-N 3.35Å; L593-W596 PolarHBondContact O-N 3.35Å; L593-E597 WeakPolarHBondContact O-CG 3.45Å; L593-E597 PolarHBondContact O-N 2.91Å; L593-L609 HydrophobicContact CD2-CD1 4.13Å; L593-L609 HydrophobicContact CD2-CD2 4.22Å
594S92.2Very high85.1Confident4 Ų444.5 Ų44.53%0.02823%0.231CC..Hα-helixtrans-60.6-44.1172.6-66.20000111.9L255 P257 R549 A590 V591 E597 A598L255-S594 WeakPolarHBondContact CD2-O 3.43Å; P257-S594 WeakPolarHBondContact CB-OG 3.36Å; P257-S594 VanDerWaalsContact CG-OG 3.26Å; P257-S594 WeakPolarHBondContact CG-OG 3.43Å; R549-S594 PolarHBondContact NH2-OG 2.84Å; A590-S594 PolarHBondContact O-N 2.92Å; A590-S594 PolarHBondContact O-OG 2.81Å; V591-S594 WeakPolarHBondContact O-CB 3.35Å; V591-S594 PolarHBondContact O-N 2.98Å; S594-E597 PolarHBondContact O-N 2.99Å; S594-A598 WeakPolarHBondContact O-CB 3.45Å; S594-A598 PolarHBondContact O-N 2.71Å
595L92.2Very high84.2Confident0 Ų040.1 Ų40.10%021%0.214CC..Hα-helixtrans-66-41.9178.7-17659.7000111.2Y349 L351 H358 L360 L575 F582 V591 I592 L593 E597 A598 R599Y349-L595 HydrophobicContact CD1-CD2 3.93Å; Y349-L595 HydrophobicContact CE1-CD2 3.53Å; L351-L595 HydrophobicContact CB-CD1 4.28Å; L351-L595 HydrophobicContact CD2-CD1 4.47Å; L351-L595 HydrophobicContact CD2-CG 4.41Å; H358-L595 HydrophobicContact CB-CD1 3.6Å; L360-L595 HydrophobicContact CD1-CB 4.32Å; L360-L595 HydrophobicContact CD1-CD2 4.19Å; L360-L595 HydrophobicContact CD2-CB 4.43Å; L360-L595 HydrophobicContact CG-CD1 4.29Å; L575-L595 HydrophobicContact CD1-CD2 4.28Å; L575-L595 HydrophobicContact CD2-CD2 3.85Å; L575-L595 HydrophobicContact CD2-CG 4.35Å; F582-L595 HydrophobicContact CZ-CD2 4.05Å; V591-L595 PolarHBondContact O-N 3.04Å; I592-L595 PolarHBondContact O-N 2.85Å; L593-L595 VanDerWaalsContact C-N 3.35Å; L595-E597 PolarHBondContact O-N 2.97Å; L595-A598 PolarHBondContact O-N 2.84Å; L595-R599 WeakPolarHBondContact O-CB 3.39Å; L595-R599 PolarHBondContact O-N 3.02Å
596W91.6Very high83.8Confident4 Ų441.8 Ų41.82%0.01522%0.223CC..Hα-helixtrans-60.9-42.3174.3-17892.8000112.4I544 I592 L593 R599 H600 D605 L606 L609I544-W596 HydrophobicContact CD1-CE3 3.91Å; I544-W596 HydrophobicContact CD1-CZ3 4.01Å; I544-W596 HydrophobicContact CG1-CE3 4.48Å; I544-W596 HydrophobicContact CG1-CZ3 4.09Å; I592-W596 WeakPolarHBondContact O-CB 3.29Å; I592-W596 PolarHBondContact O-N 3.3Å; L593-W596 PolarHBondContact O-N 3.35Å; W596-R599 PolarHBondContact O-N 3.3Å; W596-H600 AromaticContact CD1-CE1 3.46Å; W596-H600 VanDerWaalsContact CD1-CE1 3.46Å; W596-H600 AromaticContact CD1-ND1 3.38Å; W596-H600 AromaticContact CD2-ND1 3.7Å; W596-H600 AromaticContact CE2-CE1 3.89Å; W596-H600 AromaticContact CE2-CG 3.87Å; W596-H600 AromaticContact CE2-ND1 3.37Å; W596-H600 AromaticContact CG-ND1 3.67Å; W596-H600 HydrophobicContact CH2-CB 4.26Å; W596-H600 HydrophobicContact CZ2-CB 4.12Å; W596-H600 AromaticContact CZ2-CG 3.99Å; W596-H600 AromaticContact CZ2-ND1 3.96Å; W596-H600 AromaticContact NE1-CE1 3.26Å; W596-H600 PolarHBondContact NE1-CE1 3.21Å; W596-H600 VanDerWaalsContact NE1-CE1 3.26Å; W596-H600 AromaticContact NE1-ND1 3.2Å; W596-H600 PolarHBondContact NE1-ND1 3.43Å; W596-H600 VanDerWaalsContact NE1-ND1 3.2Å; W596-H600 WeakPolarHBondContact O-CB 3.28Å; W596-H600 PolarHBondContact O-N 3.44Å; W596-H600 PolarHBondContact O-ND1 2.85Å; W596-D605 HydrophobicContact CZ2-CB 4.33Å; W596-D605 WeakPolarHBondContact CZ2-O 3.26Å; W596-L606 HydrophobicContact CH2-CD2 3.8Å; W596-L606 HydrophobicContact CH2-CG 4.29Å; W596-L606 HydrophobicContact CZ3-CD2 4.2Å; W596-L609 HydrophobicContact CD2-CB 4.45Å; W596-L609 HydrophobicContact CD2-CD2 4.38Å; W596-L609 HydrophobicContact CE3-CD2 4.21Å; W596-L609 HydrophobicContact CH2-CB 4.17Å; W596-L609 HydrophobicContact CH2-CD2 4.36Å; W596-L609 HydrophobicContact CZ2-CB 3.62Å; W596-L609 HydrophobicContact CZ2-CD2 4.48Å; W596-L609 HydrophobicContact CZ3-CD2 4.2Å
597E90.9Very high83.6Confident11 Ų1137.6 Ų37.65%0.05122%0.216CC..Hα-helixtrans-70-30.3175.9-75.3-171.6126.700113.5L255 F542 K543 I544 R549 L593 S594 L595L255-E597 HydrophobicContact CD2-CB 3.89Å; F542-E597 WeakPolarHBondContact CD1-OE2 3.19Å; K543-E597 PolarHBondContact N-OE1 3.18Å; I544-E597 HydrophobicContact CD1-CG 3.92Å; I544-E597 HydrophobicContact CG1-CG 4.11Å; I544-E597 PolarHBondContact N-OE1 3.35Å; R549-E597 IonicContact CZ-OE2 2.63Å; R549-E597 IonicContact NH1-OE2 3.02Å; R549-E597 PolarHBondContact NH1-OE2 3.21Å; L593-E597 WeakPolarHBondContact O-CG 3.45Å; L593-E597 PolarHBondContact O-N 2.91Å; S594-E597 PolarHBondContact O-N 2.99Å; L595-E597 PolarHBondContact O-N 2.97Å
598A89.5Confident83.3Confident1 Ų139.3 Ų39.31%0.00823%0.228CC..Hα-helixtrans-72.3-33.9175.200000112.5L255 A308 T310 H358 S594 L595L255-A598 HydrophobicContact CD2-CB 4.3Å; A308-A598 HydrophobicContact CB-CB 3.74Å; T310-A598 PolarHBondContact OG1-O 2.82Å; H358-A598 PolarHBondContact CE1-O 2.68Å; H358-A598 PolarHBondContact ND1-O 2.73Å; S594-A598 WeakPolarHBondContact O-CB 3.45Å; S594-A598 PolarHBondContact O-N 2.71Å; L595-A598 PolarHBondContact O-N 2.84Å
599R88.6Confident83.1Confident77 Ų7739 Ų3929%0.29123%0.226SC..Hα-helixtrans-70.4-53.7174.8-172.6178.3-166.6-152.2-0.9112D353 L595 W596D353-R599 IonicContact OD1-CZ 3.12Å; D353-R599 VanDerWaalsContact OD1-CZ 3.3Å; D353-R599 IonicContact OD1-NE 2.79Å; D353-R599 PolarHBondContact OD1-NE 3.5Å; D353-R599 VanDerWaalsContact OD1-NE 3.16Å; D353-R599 IonicContact OD1-NH2 2.76Å; D353-R599 PolarHBondContact OD1-NH2 2.87Å; D353-R599 WeakPolarHBondContact OD2-CD 3.4Å; D353-R599 WeakPolarHBondContact OD2-CG 3.3Å; D353-R599 IonicContact OD2-CZ 3.31Å; D353-R599 IonicContact OD2-NE 3.94Å; D353-R599 PolarHBondContact OD2-NE 2.97Å; D353-R599 IonicContact OD2-NH2 3.5Å; L595-R599 WeakPolarHBondContact O-CB 3.39Å; L595-R599 PolarHBondContact O-N 3.02Å; W596-R599 PolarHBondContact O-N 3.3Å
600H82.9Confident82.8Confident27 Ų2741.6 Ų41.613%0.12525%0.248CC..  trans-92.4107.5-172.1-6699.8000110.7K543 W596 D605K543-H600 WeakPolarHBondContact CE-O 3.47Å; K543-H600 PolarHBondContact NZ-O 2.86Å; W596-H600 AromaticContact CD1-CE1 3.46Å; W596-H600 VanDerWaalsContact CD1-CE1 3.46Å; W596-H600 AromaticContact CD1-ND1 3.38Å; W596-H600 AromaticContact CD2-ND1 3.7Å; W596-H600 AromaticContact CE2-CE1 3.89Å; W596-H600 AromaticContact CE2-CG 3.87Å; W596-H600 AromaticContact CE2-ND1 3.37Å; W596-H600 AromaticContact CG-ND1 3.67Å; W596-H600 HydrophobicContact CH2-CB 4.26Å; W596-H600 HydrophobicContact CZ2-CB 4.12Å; W596-H600 AromaticContact CZ2-CG 3.99Å; W596-H600 AromaticContact CZ2-ND1 3.96Å; W596-H600 AromaticContact NE1-CE1 3.26Å; W596-H600 PolarHBondContact NE1-CE1 3.21Å; W596-H600 VanDerWaalsContact NE1-CE1 3.26Å; W596-H600 AromaticContact NE1-ND1 3.2Å; W596-H600 PolarHBondContact NE1-ND1 3.43Å; W596-H600 VanDerWaalsContact NE1-ND1 3.2Å; W596-H600 WeakPolarHBondContact O-CB 3.28Å; W596-H600 PolarHBondContact O-N 3.44Å; W596-H600 PolarHBondContact O-ND1 2.85Å; H600-D605 VanDerWaalsContact C-OD2 3.27Å; H600-D605 VanDerWaalsContact CA-OD2 3.27Å; H600-D605 WeakPolarHBondContact CA-OD2 3.45Å; H600-D605 HydrophobicContact CB-CB 3.56Å; H600-D605 VanDerWaalsContact CB-OD2 3.24Å; H600-D605 WeakPolarHBondContact CB-OD2 3.22Å; H600-D605 IonicContact CD2-OD1 2.82Å; H600-D605 IonicContact CD2-OD2 3.73Å; H600-D605 IonicContact CG-OD2 2.66Å
601Q71.1Confident82.5Confident89 Ų8943.3 Ų43.342%0.41626%0.258SS..  trans-103.2-19.4-175.3-55.5-169.536.400113.9K543 D605K543-Q601 WeakPolarHBondContact CE-O 3.13Å; K543-Q601 PolarHBondContact NZ-O 3.42Å; Q601-D605 PolarHBondContact N-OD2 3.19Å
602D62.1Low82.1Confident91 Ų9143.4 Ų43.449%0.48726%0.259SS..SBendtrans-100.6145-177-73.1-44.4000114.1K543 A604 D605K543-D602 WeakPolarHBondContact CE-O 3.48Å; K543-D602 PolarHBondContact NZ-O 3.31Å; D602-A604 PolarHBondContact O-N 2.86Å; D602-D605 PolarHBondContact N-OD2 3.42Å; D602-D605 WeakPolarHBondContact O-CB 3.31Å; D602-D605 PolarHBondContact O-N 3.18Å
603S56.6Low81.8Confident108 Ų10845.6 Ų45.676%0.75527%0.271SS*.G310 helixtrans-61.9-22.6-171.160.40000115.4D605S603-D605 PolarHBondContact O-N 3.27Å
604A56.9Low81.5Confident74 Ų7450.7 Ų50.761%0.61230%0.295SS*.G310 helixtrans-65-19.317600000113.6D602 L606D602-A604 PolarHBondContact O-N 2.86Å; A604-L606 VanDerWaalsContact C-N 3.3Å; A604-L606 PolarHBondContact O-N 3.18Å
605D71.3Confident81Confident42 Ų4254.8 Ų54.823%0.22531%0.313CS..G310 helixtrans-71.5-21.7-173.6-57.2-34.7000113.8K543 W596 H600 Q601 D602 S603 D607 S608K543-D605 IonicContact NZ-OD2 2.66Å; K543-D605 PolarHBondContact NZ-OD2 3.1Å; W596-D605 HydrophobicContact CZ2-CB 4.33Å; W596-D605 WeakPolarHBondContact CZ2-O 3.26Å; H600-D605 VanDerWaalsContact C-OD2 3.27Å; H600-D605 VanDerWaalsContact CA-OD2 3.27Å; H600-D605 WeakPolarHBondContact CA-OD2 3.45Å; H600-D605 HydrophobicContact CB-CB 3.56Å; H600-D605 VanDerWaalsContact CB-OD2 3.24Å; H600-D605 WeakPolarHBondContact CB-OD2 3.22Å; H600-D605 IonicContact CD2-OD1 2.82Å; H600-D605 IonicContact CD2-OD2 3.73Å; H600-D605 IonicContact CG-OD2 2.66Å; Q601-D605 PolarHBondContact N-OD2 3.19Å; D602-D605 PolarHBondContact N-OD2 3.42Å; D602-D605 WeakPolarHBondContact O-CB 3.31Å; D602-D605 PolarHBondContact O-N 3.18Å; S603-D605 PolarHBondContact O-N 3.27Å; D605-D607 PolarHBondContact O-N 3.03Å; D605-D607 VanDerWaalsContact O-N 3.14Å; D605-S608 WeakPolarHBondContact O-CB 3.32Å; D605-S608 PolarHBondContact O-N 3.38Å
606L81.9Confident80.6Confident68 Ų6855 Ų5536%0.35631%0.314SS..Hα-helixtrans-59.7-27.4-176.1-79.6165.7000113K543 W596 A604 S608 L609 A610K543-L606 HydrophobicContact CB-CD2 4.32Å; W596-L606 HydrophobicContact CH2-CD2 3.8Å; W596-L606 HydrophobicContact CH2-CG 4.29Å; W596-L606 HydrophobicContact CZ3-CD2 4.2Å; A604-L606 VanDerWaalsContact C-N 3.3Å; A604-L606 PolarHBondContact O-N 3.18Å; L606-S608 PolarHBondContact O-N 3.19Å; L606-L609 PolarHBondContact O-N 3.31Å; L606-A610 PolarHBondContact O-N 3.48Å
607D82.4Confident79.8Confident118 Ų11856.9 Ų56.963%0.63134%0.335SS*.Hα-helixtrans-63.9-28175.8-67-25.2000112.3D605 S611D605-D607 PolarHBondContact O-N 3.03Å; D605-D607 VanDerWaalsContact O-N 3.14Å; D607-S611 VanDerWaalsContact O-CB 3.26Å; D607-S611 WeakPolarHBondContact O-CB 3.45Å; D607-S611 PolarHBondContact O-N 3.02Å; D607-S611 PolarHBondContact O-OG 2.91Å
608S85.4Confident78.9Confident63 Ų6361 Ų6144%0.44135%0.353SS..Hα-helixtrans-66.1-48.6174.6-179.20000111.4D605 L606 S611 A612D605-S608 WeakPolarHBondContact O-CB 3.32Å; D605-S608 PolarHBondContact O-N 3.38Å; L606-S608 PolarHBondContact O-N 3.19Å; S608-S611 PolarHBondContact O-N 2.84Å; S608-A612 PolarHBondContact O-N 2.72Å
609L86.8Confident77.7Confident8 Ų865.1 Ų65.14%0.04237%0.373CS..Hα-helixtrans-65.3-41.2176-179.862.4000111.6I544 L573 L593 W596 L606 A612 L613I544-L609 HydrophobicContact CD1-CD2 3.59Å; I544-L609 HydrophobicContact CG1-CD2 4.18Å; L573-L609 HydrophobicContact CD1-CD1 4.14Å; L573-L609 HydrophobicContact CD2-CD1 4.12Å; L593-L609 HydrophobicContact CD2-CD1 4.13Å; L593-L609 HydrophobicContact CD2-CD2 4.22Å; W596-L609 HydrophobicContact CD2-CB 4.45Å; W596-L609 HydrophobicContact CD2-CD2 4.38Å; W596-L609 HydrophobicContact CE3-CD2 4.21Å; W596-L609 HydrophobicContact CH2-CB 4.17Å; W596-L609 HydrophobicContact CH2-CD2 4.36Å; W596-L609 HydrophobicContact CZ2-CB 3.62Å; W596-L609 HydrophobicContact CZ2-CD2 4.48Å; W596-L609 HydrophobicContact CZ3-CD2 4.2Å; L606-L609 PolarHBondContact O-N 3.31Å; L609-A612 PolarHBondContact O-N 3.2Å; L609-L613 HydrophobicContact CD1-CD1 4.29Å; L609-L613 HydrophobicContact CD1-CG 4.37Å; L609-L613 HydrophobicContact CG-CD1 4.11Å; L609-L613 WeakPolarHBondContact O-CB 3.39Å; L609-L613 VanDerWaalsContact O-CG 3.28Å; L609-L613 WeakPolarHBondContact O-CG 3.39Å; L609-L613 PolarHBondContact O-N 2.59Å
610A85.4Confident76Confident55 Ų5565.1 Ų65.146%0.45538%0.377SS..Hα-helixtrans-61.1-44.2175.900000111.6L606 L613 E614L606-A610 PolarHBondContact O-N 3.48Å; A610-L613 PolarHBondContact O-N 3.45Å; A610-E614 WeakPolarHBondContact O-CB 3.4Å; A610-E614 PolarHBondContact O-N 2.95Å
611S86.4Confident74.3Confident63 Ų6368 Ų6844%0.44140%0.4SS..Hα-helixtrans-62.6-46177.2-60.30000111.9D607 S608 L613 E614 E615D607-S611 VanDerWaalsContact O-CB 3.26Å; D607-S611 WeakPolarHBondContact O-CB 3.45Å; D607-S611 PolarHBondContact O-N 3.02Å; D607-S611 PolarHBondContact O-OG 2.91Å; S608-S611 PolarHBondContact O-N 2.84Å; S611-L613 PolarHBondContact O-N 2.91Å; S611-E614 PolarHBondContact O-N 3.39Å; S611-E615 WeakPolarHBondContact O-CG 3.5Å; S611-E615 PolarHBondContact O-N 3.48Å
612A85.3Confident72.9Confident8 Ų873.3 Ų73.37%0.06642%0.422CS..Hα-helixtrans-58.9-44.7176.100000112.1K572 L573 S608 L609 E615 I616K572-A612 HydrophobicContact CB-CB 4.12Å; L573-A612 HydrophobicContact CD2-CB 3.77Å; S608-A612 PolarHBondContact O-N 2.72Å; L609-A612 PolarHBondContact O-N 3.2Å; A612-E615 PolarHBondContact O-N 3.21Å; A612-I616 WeakPolarHBondContact O-CD1 3.47Å; A612-I616 VanDerWaalsContact O-CG1 3.26Å; A612-I616 WeakPolarHBondContact O-CG1 3.12Å; A612-I616 PolarHBondContact O-N 3.39Å; A612-I616 VanDerWaalsContact O-N 3.1Å
613L86.1Confident71.6Confident47 Ų4772.6 Ų72.625%0.24642%0.424CS..Hα-helixtrans-66-38.7176.3-69.4171.8000112.4I552 F556 L569 L609 A610 S611 I616 G617I552-L613 HydrophobicContact CD1-CD1 3.96Å; I552-L613 HydrophobicContact CG1-CD1 4.43Å; F556-L613 HydrophobicContact CE2-CD2 3.54Å; F556-L613 HydrophobicContact CZ-CD2 3.81Å; L569-L613 HydrophobicContact CD1-CD2 4.04Å; L609-L613 HydrophobicContact CD1-CD1 4.29Å; L609-L613 HydrophobicContact CD1-CG 4.37Å; L609-L613 HydrophobicContact CG-CD1 4.11Å; L609-L613 WeakPolarHBondContact O-CB 3.39Å; L609-L613 VanDerWaalsContact O-CG 3.28Å; L609-L613 WeakPolarHBondContact O-CG 3.39Å; L609-L613 PolarHBondContact O-N 2.59Å; A610-L613 PolarHBondContact O-N 3.45Å; S611-L613 PolarHBondContact O-N 2.91Å; L613-I616 PolarHBondContact O-N 3.28Å; L613-G617 PolarHBondContact O-N 2.79Å
614E85.8Confident70.2Confident107 Ų10772 Ų7250%0.542%0.42SS..Hα-helixtrans-67.5-40.1177.5-158.1-156.2177.500111.7A610 S611 G617 K618A610-E614 WeakPolarHBondContact O-CB 3.4Å; A610-E614 PolarHBondContact O-N 2.95Å; S611-E614 PolarHBondContact O-N 3.39Å; E614-G617 CarbonylContact O-C 3.52Å; E614-G617 WeakPolarHBondContact O-CA 3.48Å; E614-G617 PolarHBondContact O-N 2.82Å; E614-G617 VanDerWaalsContact O-N 3.13Å; E614-K618 HydrophobicContact CG-CD 4.3Å; E614-K618 WeakPolarHBondContact O-CB 3.22Å; E614-K618 VanDerWaalsContact O-CG 3.31Å; E614-K618 WeakPolarHBondContact O-CG 3.42Å; E614-K618 PolarHBondContact O-N 3.12Å; E614-K618 WeakPolarHBondContact OE1-CE 3.44Å; E614-K618 IonicContact OE1-NZ 3.16Å; E614-K618 PolarHBondContact OE1-NZ 3.47Å; E614-K618 IonicContact OE2-NZ 2.82Å; E614-K618 PolarHBondContact OE2-NZ 3.04Å
615E82.9Confident69.2Low89 Ų8974.2 Ų74.242%0.41643%0.428SS..Hα-helixtrans-60.2-45.4172.3-75-165.2174.300111.9K572 S611 A612 G617 K618 I619K572-E615 WeakPolarHBondContact CD-OE2 3.28Å; K572-E615 WeakPolarHBondContact CE-OE2 3.29Å; K572-E615 IonicContact NZ-OE2 2.68Å; K572-E615 PolarHBondContact NZ-OE2 3.13Å; S611-E615 WeakPolarHBondContact O-CG 3.5Å; S611-E615 PolarHBondContact O-N 3.48Å; A612-E615 PolarHBondContact O-N 3.21Å; E615-G617 PolarHBondContact O-N 3.21Å; E615-K618 PolarHBondContact O-N 2.81Å; E615-K618 VanDerWaalsContact O-N 3.08Å; E615-I619 WeakPolarHBondContact O-CG1 3.33Å; E615-I619 PolarHBondContact O-N 3Å
616I82.8Confident67.2Low5 Ų581.7 Ų81.73%0.02646%0.458CS..Hα-helixtrans-60.1-34.8174.7-66.3166.4000110.9F556 K564 L568 L569 K572 A612 L613F556-I616 HydrophobicContact CE1-CD1 4.12Å; F556-I616 HydrophobicContact CE1-CG2 3.92Å; F556-I616 HydrophobicContact CZ-CD1 4.05Å; F556-I616 HydrophobicContact CZ-CG2 3.97Å; K564-I616 HydrophobicContact CB-CG2 4.49Å; K564-I616 HydrophobicContact CD-CG2 4.19Å; K564-I616 VanDerWaalsContact CE-O 3.27Å; K564-I616 WeakPolarHBondContact CE-O 3.35Å; K564-I616 HydrophobicContact CG-CG2 4.37Å; K564-I616 PolarHBondContact NZ-O 3.04Å; L568-I616 HydrophobicContact CD2-CG1 4.06Å; L568-I616 HydrophobicContact CD2-CG2 4.02Å; L568-I616 HydrophobicContact CG-CD1 4.41Å; L568-I616 HydrophobicContact CG-CG1 4.08Å; L569-I616 HydrophobicContact CB-CD1 4.37Å; L569-I616 HydrophobicContact CD1-CD1 4.05Å; K572-I616 HydrophobicContact CB-CD1 4.3Å; K572-I616 HydrophobicContact CG-CD1 4.19Å; K572-I616 HydrophobicContact CG-CG1 4.04Å; A612-I616 WeakPolarHBondContact O-CD1 3.47Å; A612-I616 VanDerWaalsContact O-CG1 3.26Å; A612-I616 WeakPolarHBondContact O-CG1 3.12Å; A612-I616 PolarHBondContact O-N 3.39Å; A612-I616 VanDerWaalsContact O-N 3.1Å; L613-I616 PolarHBondContact O-N 3.28Å
617G74.8Confident64.6Low43 Ų4385.8 Ų85.844%0.44348%0.481SS..Hα-helixtrans-59.5-57.5167.400000112.5K564 L613 E614 E615 I619 H620K564-G617 PolarHBondContact NZ-O 3.49Å; L613-G617 PolarHBondContact O-N 2.79Å; E614-G617 CarbonylContact O-C 3.52Å; E614-G617 WeakPolarHBondContact O-CA 3.48Å; E614-G617 PolarHBondContact O-N 2.82Å; E614-G617 VanDerWaalsContact O-N 3.13Å; E615-G617 PolarHBondContact O-N 3.21Å; G617-I619 VanDerWaalsContact C-N 3.29Å; G617-I619 PolarHBondContact O-N 2.74Å; G617-H620 PolarHBondContact O-N 3.27Å
618K71.4Confident62.4Low99 Ų9986 Ų8643%0.4349%0.488SS..Hα-helixtrans-60.7-23-174-76166.5173.21670115.4E614 E615 H620 S621E614-K618 HydrophobicContact CG-CD 4.3Å; E614-K618 WeakPolarHBondContact O-CB 3.22Å; E614-K618 VanDerWaalsContact O-CG 3.31Å; E614-K618 WeakPolarHBondContact O-CG 3.42Å; E614-K618 PolarHBondContact O-N 3.12Å; E614-K618 WeakPolarHBondContact OE1-CE 3.44Å; E614-K618 IonicContact OE1-NZ 3.16Å; E614-K618 PolarHBondContact OE1-NZ 3.47Å; E614-K618 IonicContact OE2-NZ 2.82Å; E614-K618 PolarHBondContact OE2-NZ 3.04Å; E615-K618 PolarHBondContact O-N 2.81Å; E615-K618 VanDerWaalsContact O-N 3.08Å; K618-H620 PolarHBondContact O-N 2.79Å; K618-S621 PolarHBondContact O-N 3.12Å; K618-S621 PolarHBondContact O-OG 3.2Å; K618-S621 VanDerWaalsContact O-OG 3.11Å
619I64.4Low60Low86 Ų8690.5 Ų90.544%0.44151%0.508SS..THydrogen-bonded Turntrans-55-16.5177.6-73.2165.2000113.3L568 E615 G617L568-I619 HydrophobicContact CD1-CD1 4.47Å; L568-I619 HydrophobicContact CD2-CD1 4.1Å; E615-I619 WeakPolarHBondContact O-CG1 3.33Å; E615-I619 PolarHBondContact O-N 3Å; G617-I619 VanDerWaalsContact C-N 3.29Å; G617-I619 PolarHBondContact O-N 2.74Å
620H53.5Low57.4Low77 Ų7799.4 Ų99.436%0.35655%0.549SS..THydrogen-bonded Turntrans-107.3-6.8173.9-81.242.3000115.9G617 K618 K622G617-H620 PolarHBondContact O-N 3.27Å; K618-H620 PolarHBondContact O-N 2.79Å; H620-K622 VanDerWaalsContact C-N 3.29Å; H620-K622 PolarHBondContact O-N 2.7Å
621S46.4Very low54.7Low88 Ų88101.7 Ų101.762%0.61557%0.568SS**THydrogen-bonded Turntrans-80.1-10.3178.865.60000113.8K618K618-S621 PolarHBondContact O-N 3.12Å; K618-S621 PolarHBondContact O-OG 3.2Å; K618-S621 VanDerWaalsContact O-OG 3.11Å
622K41.6Very low52Low200 Ų200107.7 Ų107.787%0.8759%0.589SS**THydrogen-bonded Turntrans-103.41.7175.4-73.1-174.8174.7179.80114.3H620H620-K622 VanDerWaalsContact C-N 3.29Å; H620-K622 PolarHBondContact O-N 2.7Å
623S36.3Very low49.4Very low76 Ų76112.9 Ų112.953%0.53162%0.622SS.*  trans-12348.9-17668.70000112.8
624S26.3Very low46.6Very low97 Ų97118.6 Ų118.668%0.67865%0.653SS**PPolyproline II helixtrans-100.1118.2153.5570000107.9K626S624-K626 PolarHBondContact O-N 2.87Å
625P35.1Very low43.9Very low119 Ų119121 Ų12177%0.77367%0.668SS**PPolyproline II helixtrans-56.7135.7163-1730.6000108.3D627P625-D627 PolarHBondContact O-N 2.89Å
626K30.3Very low41.3Very low199 Ų199123.6 Ų123.687%0.86569%0.685SS**PPolyproline II helixtrans-66129.4158.9-80.2-175.6169.3-170.10107S624 P628S624-K626 PolarHBondContact O-N 2.87Å; K626-P628 WeakPolarHBondContact O-CD 3.42Å
627D27.4Very low38.7Very low155 Ų155130.9 Ų130.983%0.82972%0.718SS**PPolyproline II helixtrans-58.3124.6160.5-70.4-53.9000108.3P625 D629P625-D627 PolarHBondContact O-N 2.89Å; D627-D629 PolarHBondContact O-N 3.39Å
628P35.8Very low36.5Very low121 Ų121136 Ų13679%0.78673%0.734SS**  trans-93.969.1-179.336.7-32.3000110.2K626K626-P628 WeakPolarHBondContact O-CD 3.42Å
629D35.6Very low34.3Very low159 Ų159139.5 Ų139.585%0.8575%0.752SS**  trans-148.152.2174.7-105.8-27.1000112.7D627D627-D629 PolarHBondContact O-N 3.39Å
630E31Very low32.6Very low195 Ų195142.1 Ų142.191%0.91177%0.772SS**  trans-136103153.3-97.2-174.4166.900108.7
631A30.3Very low31.2Very low103 Ų103144.6 Ų144.685%0.85180%0.796SS**  trans-83.3112.617100000109.3
632E28.1Very low30.3Very low188 Ų188143.5 Ų143.588%0.87980%0.799SS**PPolyproline II helixtrans-67.3141.9166.5-74.7-159.6144.200110.4
633P30.5Very low29.7Very low117 Ų117141 Ų14176%0.7679%0.794SS**PPolyproline II helixtrans-84126.3-178.232.3-32.9000111.8L635P633-L635 PolarHBondContact O-N 3.08Å
634D28.5Very low29.2Very low167 Ų167148.4 Ų148.489%0.89381%0.812SS**PPolyproline II helixtrans-63.1123.3168.2-93.4-40.7000111N636D634-N636 PolarHBondContact O-N 3.31Å
635L29.9Very low29.3Very low158 Ų158146.5 Ų146.583%0.82781%0.808SS**  trans-68.1111.9161.2-111.280.3000108.5P633P633-L635 PolarHBondContact O-N 3.08Å
636N27Very low28.9Very low143 Ų143147.8 Ų147.877%0.76581%0.814SS**  trans-167.6141.4132.9-99.1-39.9000115.2D634D634-N636 PolarHBondContact O-N 3.31Å
637H27.6Very low28.8Very low158 Ų158142.8 Ų142.873%0.73181%0.81SS**  trans75.4106.4156-74.2-55.3000122.7
638I29.4Very low28.7Very low150 Ų150144.9 Ų144.977%0.76981%0.811SS**  98.3133.8126.4-65166.2000118
639E25.9Very low29.4Very low173 Ų173144.4 Ų144.481%0.80881%0.808SS**  trans-61.1150.7178.8-54.8164116.200113.4
640V27.8Very low29.2Very low141 Ų141141.5 Ų141.586%0.85581%0.806SS**  174.6150.7106.61560000110.2
641C25.1Very low29.1Very low130 Ų130137 Ų13788%0.87880%0.802SS**  trans-70.7156.7-172.9-55.90000116.8
642G26.3Very low29.4Very low64 Ų64138.2 Ų138.266%0.6680%0.799SS**  trans155.7104.9156.100000112.3
643L28.5Very low30.1Very low149 Ų149134.9 Ų134.978%0.7879%0.794SS**  89.5115.173-84.7169.5000114.4
644Y27.6Very low30.1Very low230 Ų230138.6 Ų138.690%0.90280%0.801SS**  trans61.6155172-56.7-78.5000116.4
645G27.7Very low30.3Very low58 Ų58133.8 Ų133.860%0.59879%0.79SS**  cis168.3156.9-700000112.5
646T27.4Very low30.4Very low146 Ų146135.4 Ų135.490%0.89679%0.794SS**  trans64.5119.5155.953.40000123.8
647A27.8Very low30.6Very low94 Ų94135.5 Ų135.578%0.77779%0.794SS**  74.4115.7125.600000124.5
648K25.5Very low30.7Very low199 Ų199133.8 Ų133.887%0.86580%0.799SS**  26.6161117.1-82.4-165.4175.4-175.60121.2
649P50.6Low31Very low110 Ų110131 Ų13171%0.71480%0.798SS**  cis-146.6-175.3-39.242.8-24.1000115.1
650A30.1Very low32.6Very low98 Ų98128.3 Ų128.381%0.8180%0.795SS**  trans66.2135.8145.400000123.1
651A28.8Very low33Very low100 Ų100129.4 Ų129.483%0.82679%0.791SS**  -173.4151.312900000112.4
652V36.6Very low33.3Very low130 Ų130132.3 Ų132.379%0.78879%0.785SS**  trans-132.5142.8169.9174.40000107.8
653P44.3Very low34.3Very low118 Ų118135.2 Ų135.277%0.76679%0.79SS**  -136.2148.8126.228.2-11.3000111.1
654E30.8Very low35.1Very low195 Ų195135.4 Ų135.491%0.91183%0.829SS**  cis76.6135.748.5-78.1-158.7169.400117
655G30.7Very low35.4Very low65 Ų65130.7 Ų130.767%0.6783%0.825SS**  trans117.2102.218000000113
656E32.5Very low35.8Very low193 Ų193134.5 Ų134.590%0.90284%0.837SS**  67.9139.179.6-73.5-173.9142.400114.2
657D31.1Very low36.3Very low145 Ų145133.9 Ų133.978%0.77583%0.834SS**  cis-167.5-173.8-17.1-161.7-3.3000108
658C29.4Very low36.8Very low121 Ų121136.2 Ų136.282%0.81884%0.837SS**  trans99.9128.7165.9-59.70000119.9
659A35.8Very low37.5Very low92 Ų92132.3 Ų132.376%0.7684%0.835SS**  trans-128.7-164.916200000107.7
660P59.7Low36.6Very low116 Ų116133.8 Ų133.875%0.75384%0.843SS**  cis-129.9-145-20.734.7-11.7000111.5
661E36.5Very low37.1Very low165 Ų165136.4 Ų136.477%0.77185%0.846SS**  trans80.4149169.2-69.8-174170.100118.4
662Y31.7Very low37.8Very low190 Ų190139.2 Ų139.275%0.74585%0.847SS**  cis-142.4164.24.9-143.8-82.5000111.5
663T46.5Very low37.9Very low125 Ų125139.9 Ų139.977%0.76785%0.852SS**  trans-79.7158.2179.7510000115.6
664G45.3Very low37.3Very low154 Ų154141.9 Ų141.9100%1.58886%0.86SS**  trans-151.90159.300000111

Retrieved 664 of 664 residues in 327.4 ms (Link to these results)

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